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 2uvb_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRPEVEQELA YTLLVELLAY QFAMPVRWIE TQDVILAEKR TERIVEIGPS DATA SEQUENCE DTLGGMARRT LQSKYEAYDA ATSVQRQILC YCKDAKEIYY DVEPXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXIDALTK DQRALFKQQL EIIARYLKMD DATA SEQUENCE LRAGDKAFVA SQESQKALQA QLDLWQAEHG DIYAAGIEPA FDPLKARVYD DATA SEQUENCE SSWNWARQDA LSMYYDIIFG RLRVVDREIV SQCIQIMNRS NPLLLEFMQY DATA SEQUENCE HIDHCPTERG ETYQLAKELG QQLIENCKEV LGKPPVYKDV SIPTGPQTTI DATA SEQUENCE DARGNIQYQE VPRASARKFE HYVKQMAEGG PISQYSNRTK VQNDLRSVYK DATA SEQUENCE LIRRQHRLSK SSQLQFNALY KDVIRALAMN ESQIMQXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXKVE TIPFLHLRKK DEFGNWEYSK KLTGIYLDGL EAAARSGLTF DATA SEQUENCE QGKHALMTGA GAGSIGAEVL QGLLSGGAKV IVTTSRFSRQ VTEYYQGIYA DATA SEQUENCE RCGARGSQLV VVPFNQGSKQ DVEALVNYIY DTKNGLGWDL DYVVPFAAIP DATA SEQUENCE ENGREIDSID SKSELAHRIM LTNLLRLLGA IKTQKKERGY ETRPAQVILP DATA SEQUENCE LSPNHGTFGN DGLYSESKLA LETLFNRWYS ESWGNYLTIC GAVIGWTRGT DATA SEQUENCE GLMSANNLVA EGVEKLGVRT FSQQEMAFNL LGLMAPAIVN LCQSDPVFAD DATA SEQUENCE LNGGLQFIPD LKGLMTKLRK EIMETSAIRQ AVIKETAIEN KVVNGEDHEA DATA SEQUENCE LYRRVITEPR ANLKYPFPEL PDWDKDIKPL NDQLRGMVNL DKVVVVTGLA DATA SEQUENCE EIGPWGNART RWEMEAYGKF SLEGCVEMAW MMGLIKNHNG PLKGKPYSGW DATA SEQUENCE VDAKTGEPVD DKDVKAKYEK YILEHSGIRL IEPELFGGYD PNRKQLLQEV DATA SEQUENCE VIEQDLEPFE ASKEQAEEFK REHGDKVEIF EIPETGQYTV RLRKGATLLI DATA SEQUENCE PKALQFDRLV AGQIPTGWDA RRYGVPEDII QQVDPVTLYV LVSVAEALLS DATA SEQUENCE SGITDPYEFY KYVHLSEVGN CIGSGVGGTS ALRGMYKDRY LDKPVQKDIL DATA SEQUENCE QESFVNTMAA WVNMLLLSST GPIKTPVGAC ATAVESLDVG YDTIMQGKAR DATA SEQUENCE VCLVGGFDDF QEEGSYEFAN MGATSNAKEE FARGREPGEM SRPTSTTRNG DATA SEQUENCE FMESQGCGVQ VIMTAQLALE MGVPIYGIVA MTSTATDKIG RSVPAPGQGV DATA SEQUENCE LTTAREKSGN FPSPLLDIKY RRRQLELRRQ QIKQWKESEY LYLQEEVAAI DATA SEQUENCE KSQRSEEDGP FDETAYLRER TEHIEREARR QEAEAQTSFG NEFWRRDSRI DATA SEQUENCE APLRGALATW GLTIDDLGVA SFHGTSTVAN DKNESDVICQ QLKHLGRTKG DATA SEQUENCE NAVLGIFQKY LTGHPKGAAG AWMLNGCLQV LNTGIVPGNR NADNVDKVME DATA SEQUENCE QFDYIVYPSR SIKTDGIKAF SVTSFGFGQK GAQAIGVHPK YLFATLDKAQ DATA SEQUENCE YEAYCVKVQA RQKKAYRFFH NGLINNKLFV AKDKAPYEDR IQSKVFLNPQ DATA SEQUENCE SRVTQESNGE LKFPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.004 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 R N 1.519 122.021 120.500 0.004 0.000 2.248 2 R HA 0.201 4.540 4.340 -0.001 0.000 0.337 2 R C -1.822 174.481 176.300 0.004 0.000 1.085 2 R CA -1.349 54.753 56.100 0.003 0.000 0.934 2 R CB 0.521 30.822 30.300 0.002 0.000 1.034 2 R HN -0.025 nan 8.270 nan 0.000 0.465 3 P HA -0.219 nan 4.420 nan 0.000 0.215 3 P C 0.382 177.683 177.300 0.003 0.000 1.157 3 P CA 1.447 64.549 63.100 0.004 0.000 0.874 3 P CB 0.248 31.949 31.700 0.003 0.000 0.790 4 E N -0.789 119.410 120.200 -0.002 0.000 2.204 4 E HA -0.093 4.256 4.350 -0.001 0.000 0.195 4 E C 1.905 178.501 176.600 -0.008 0.000 0.990 4 E CA 0.754 57.148 56.400 -0.009 0.000 0.821 4 E CB -0.675 29.017 29.700 -0.013 0.000 0.750 4 E HN 0.094 nan 8.360 nan 0.000 0.477 5 V N 1.692 121.606 119.914 -0.000 0.000 2.255 5 V HA -0.227 3.892 4.120 -0.001 0.000 0.243 5 V C 2.096 178.198 176.094 0.014 0.000 1.038 5 V CA 1.876 64.179 62.300 0.005 0.000 1.008 5 V CB -0.458 31.369 31.823 0.006 0.000 0.645 5 V HN 0.198 nan 8.190 nan 0.000 0.449 6 E N -0.376 119.833 120.200 0.016 0.000 2.147 6 E HA -0.317 4.033 4.350 -0.001 0.000 0.199 6 E C 2.293 178.914 176.600 0.036 0.000 1.005 6 E CA 1.586 58.000 56.400 0.024 0.000 0.810 6 E CB -0.158 29.553 29.700 0.019 0.000 0.736 6 E HN 0.610 nan 8.360 nan 0.000 0.460 7 Q N 0.562 120.380 119.800 0.029 0.000 1.948 7 Q HA -0.230 4.109 4.340 -0.001 0.000 0.205 7 Q C 2.127 178.170 176.000 0.072 0.000 0.992 7 Q CA 1.708 57.535 55.803 0.041 0.000 0.849 7 Q CB -0.150 28.592 28.738 0.006 0.000 0.918 7 Q HN 0.380 nan 8.270 nan 0.000 0.421 8 E N 0.316 120.533 120.200 0.028 0.000 2.209 8 E HA -0.193 4.156 4.350 -0.001 0.000 0.196 8 E C 2.097 178.774 176.600 0.129 0.000 0.993 8 E CA 0.730 57.156 56.400 0.043 0.000 0.819 8 E CB -0.114 29.580 29.700 -0.011 0.000 0.745 8 E HN 0.321 nan 8.360 nan 0.000 0.477 9 L N 0.589 121.865 121.223 0.089 0.000 1.993 9 L HA -0.102 4.238 4.340 -0.001 0.000 0.206 9 L C 2.681 179.607 176.870 0.092 0.000 1.074 9 L CA 0.959 55.847 54.840 0.080 0.000 0.746 9 L CB -0.545 41.543 42.059 0.048 0.000 0.896 9 L HN 0.108 nan 8.230 nan 0.000 0.435 10 A N -0.583 122.288 122.820 0.085 0.000 1.927 10 A HA -0.333 3.986 4.320 -0.001 0.000 0.220 10 A C 2.193 179.837 177.584 0.101 0.000 1.185 10 A CA 2.103 54.186 52.037 0.075 0.000 0.639 10 A CB -1.120 17.920 19.000 0.067 0.000 0.820 10 A HN 0.511 nan 8.150 nan 0.000 0.451 11 Y N 1.414 121.722 120.300 0.014 0.000 2.030 11 Y HA -0.271 4.279 4.550 -0.001 0.000 0.274 11 Y C 2.728 178.642 175.900 0.023 0.000 1.153 11 Y CA 2.864 60.975 58.100 0.017 0.000 1.115 11 Y CB -0.723 37.747 38.460 0.016 0.000 0.969 11 Y HN 0.342 nan 8.280 nan 0.000 0.488 12 T N 1.097 115.759 114.554 0.181 0.000 2.995 12 T HA -0.122 4.227 4.350 -0.001 0.000 0.269 12 T C 1.725 176.430 174.700 0.008 0.000 1.091 12 T CA 0.994 63.131 62.100 0.062 0.000 1.128 12 T CB -0.479 68.490 68.868 0.168 0.000 0.891 12 T HN 0.266 nan 8.240 nan 0.000 0.492 13 L N 1.424 122.661 121.223 0.023 0.000 1.994 13 L HA 0.053 4.392 4.340 -0.001 0.000 0.208 13 L C 2.164 179.025 176.870 -0.015 0.000 1.071 13 L CA 1.465 56.310 54.840 0.009 0.000 0.745 13 L CB -1.115 40.953 42.059 0.016 0.000 0.892 13 L HN 0.170 nan 8.230 nan 0.000 0.431 14 L N -0.783 120.416 121.223 -0.041 0.000 1.956 14 L HA -0.228 4.111 4.340 -0.001 0.000 0.216 14 L C 2.588 179.400 176.870 -0.097 0.000 1.073 14 L CA 2.305 57.104 54.840 -0.068 0.000 0.762 14 L CB -0.898 41.108 42.059 -0.088 0.000 0.889 14 L HN 0.203 nan 8.230 nan 0.000 0.433 15 V N 0.334 120.130 119.914 -0.197 0.000 2.317 15 V HA -0.297 3.822 4.120 -0.001 0.000 0.251 15 V C 2.690 178.760 176.094 -0.040 0.000 1.065 15 V CA 1.944 64.130 62.300 -0.191 0.000 1.049 15 V CB -0.622 31.011 31.823 -0.317 0.000 0.651 15 V HN 0.465 nan 8.190 nan 0.000 0.450 16 E N -0.112 120.099 120.200 0.018 0.000 2.028 16 E HA -0.130 4.219 4.350 -0.001 0.000 0.191 16 E C 2.258 178.971 176.600 0.187 0.000 0.988 16 E CA 1.026 57.518 56.400 0.154 0.000 0.799 16 E CB -0.494 29.280 29.700 0.123 0.000 0.755 16 E HN 0.511 nan 8.360 nan 0.000 0.447 17 L N 0.707 121.978 121.223 0.080 0.000 2.051 17 L HA -0.242 4.097 4.340 -0.001 0.000 0.214 17 L C 2.572 179.482 176.870 0.067 0.000 1.076 17 L CA 1.142 56.020 54.840 0.064 0.000 0.758 17 L CB -0.449 41.621 42.059 0.018 0.000 0.890 17 L HN 0.125 nan 8.230 nan 0.000 0.433 18 L N -1.267 119.969 121.223 0.023 0.000 2.027 18 L HA -0.168 4.171 4.340 -0.001 0.000 0.206 18 L C 2.899 179.763 176.870 -0.010 0.000 1.074 18 L CA 1.078 55.904 54.840 -0.024 0.000 0.745 18 L CB -0.976 41.048 42.059 -0.059 0.000 0.898 18 L HN 0.256 nan 8.230 nan 0.000 0.433 19 A N 0.063 122.908 122.820 0.041 0.000 1.869 19 A HA -0.280 4.039 4.320 -0.001 0.000 0.218 19 A C 1.973 179.603 177.584 0.077 0.000 1.203 19 A CA 1.982 54.044 52.037 0.042 0.000 0.638 19 A CB -1.169 17.815 19.000 -0.027 0.000 0.831 19 A HN 0.443 nan 8.150 nan 0.000 0.450 20 Y N -0.230 120.126 120.300 0.093 0.000 2.583 20 Y HA -0.037 4.512 4.550 -0.001 0.000 0.293 20 Y C 2.442 178.400 175.900 0.097 0.000 1.157 20 Y CA 0.893 59.057 58.100 0.108 0.000 1.315 20 Y CB -0.156 38.340 38.460 0.060 0.000 1.021 20 Y HN 0.481 nan 8.280 nan 0.000 0.536 21 Q N -0.114 119.776 119.800 0.150 0.000 2.135 21 Q HA -0.218 4.121 4.340 -0.001 0.000 0.204 21 Q C 1.507 177.540 176.000 0.055 0.000 0.981 21 Q CA 1.502 57.337 55.803 0.053 0.000 0.856 21 Q CB -0.285 28.421 28.738 -0.053 0.000 0.902 21 Q HN 0.428 nan 8.270 nan 0.000 0.425 22 F N 0.784 120.747 119.950 0.022 0.000 2.041 22 F HA -0.278 4.249 4.527 -0.001 0.000 0.296 22 F C 1.856 177.669 175.800 0.020 0.000 1.147 22 F CA 1.826 59.828 58.000 0.004 0.000 1.214 22 F CB -0.718 38.265 39.000 -0.029 0.000 0.947 22 F HN 0.152 nan 8.300 nan 0.000 0.511 23 A N -0.281 122.710 122.820 0.286 0.000 3.163 23 A HA 0.382 4.701 4.320 -0.001 0.000 0.283 23 A C 0.005 177.678 177.584 0.148 0.000 1.412 23 A CA 0.081 52.221 52.037 0.172 0.000 1.053 23 A CB -0.612 18.464 19.000 0.127 0.000 1.082 23 A HN 0.200 nan 8.150 nan 0.000 0.639 24 M N 0.825 120.505 119.600 0.132 0.000 2.206 24 M HA 0.312 4.791 4.480 -0.001 0.000 0.272 24 M C -2.980 173.368 176.300 0.079 0.000 1.012 24 M CA -1.959 53.403 55.300 0.104 0.000 0.986 24 M CB 1.601 34.270 32.600 0.116 0.000 1.740 24 M HN -0.010 nan 8.290 nan 0.000 0.472 25 P HA 0.078 nan 4.420 nan 0.000 0.266 25 P C -0.578 176.762 177.300 0.066 0.000 1.193 25 P CA -0.268 62.867 63.100 0.059 0.000 0.770 25 P CB 0.418 32.149 31.700 0.051 0.000 0.836 26 V N 4.310 124.268 119.914 0.072 0.000 2.353 26 V HA 0.167 4.287 4.120 -0.001 0.000 0.264 26 V C 1.206 177.381 176.094 0.135 0.000 1.049 26 V CA -0.400 61.962 62.300 0.102 0.000 0.896 26 V CB 0.029 31.909 31.823 0.094 0.000 1.025 26 V HN 0.482 nan 8.190 nan 0.000 0.475 27 R N 4.708 125.283 120.500 0.125 0.000 4.138 27 R HA 0.074 4.413 4.340 -0.001 0.000 0.206 27 R C 0.801 177.178 176.300 0.129 0.000 1.667 27 R CA -0.410 55.752 56.100 0.103 0.000 1.481 27 R CB 0.072 30.401 30.300 0.048 0.000 1.388 27 R HN 0.897 nan 8.270 nan 0.000 0.776 28 W N 2.499 123.799 121.300 0.001 0.000 2.800 28 W HA -0.014 4.645 4.660 -0.001 0.000 0.249 28 W C 0.758 177.279 176.519 0.002 0.000 1.294 28 W CA 0.424 57.768 57.345 -0.002 0.000 1.402 28 W CB 0.209 29.666 29.460 -0.004 0.000 1.126 28 W HN 0.367 nan 8.180 nan 0.000 0.652 29 I N 0.515 121.104 120.570 0.032 0.000 2.206 29 I HA -0.262 3.908 4.170 -0.001 0.000 0.239 29 I C 2.119 178.165 176.117 -0.118 0.000 1.078 29 I CA 1.338 62.618 61.300 -0.035 0.000 1.367 29 I CB -0.832 37.185 38.000 0.028 0.000 1.078 29 I HN -0.149 nan 8.210 nan 0.000 0.413 30 E N 0.873 121.024 120.200 -0.081 0.000 2.160 30 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 30 E C 2.075 178.578 176.600 -0.162 0.000 0.991 30 E CA 1.834 58.181 56.400 -0.088 0.000 0.810 30 E CB -0.414 29.256 29.700 -0.050 0.000 0.742 30 E HN 0.491 nan 8.360 nan 0.000 0.466 31 T N 1.241 115.638 114.554 -0.263 0.000 2.770 31 T HA -0.141 4.209 4.350 -0.001 0.000 0.263 31 T C 1.892 176.275 174.700 -0.527 0.000 1.039 31 T CA 0.978 62.836 62.100 -0.403 0.000 1.142 31 T CB -0.129 68.407 68.868 -0.552 0.000 0.868 31 T HN 0.168 nan 8.240 nan 0.000 0.435 32 Q N 0.530 119.925 119.800 -0.675 0.000 2.170 32 Q HA -0.152 4.187 4.340 -0.001 0.000 0.203 32 Q C 1.830 177.653 176.000 -0.294 0.000 0.976 32 Q CA 1.462 56.946 55.803 -0.533 0.000 0.858 32 Q CB -0.154 28.320 28.738 -0.440 0.000 0.907 32 Q HN 0.498 nan 8.270 nan 0.000 0.433 33 D N -0.550 119.738 120.400 -0.186 0.000 2.183 33 D HA -0.091 4.548 4.640 -0.001 0.000 0.203 33 D C 1.765 178.014 176.300 -0.084 0.000 0.969 33 D CA 0.525 54.496 54.000 -0.049 0.000 0.842 33 D CB 0.102 40.914 40.800 0.021 0.000 0.957 33 D HN -0.009 nan 8.370 nan 0.000 0.484 34 V N 0.867 120.705 119.914 -0.127 0.000 2.490 34 V HA -0.182 3.937 4.120 -0.001 0.000 0.250 34 V C 2.176 178.200 176.094 -0.117 0.000 1.061 34 V CA 1.112 63.347 62.300 -0.107 0.000 1.064 34 V CB -0.264 31.490 31.823 -0.114 0.000 0.670 34 V HN 0.286 nan 8.190 nan 0.000 0.461 35 I N -1.010 119.460 120.570 -0.167 0.000 2.400 35 I HA -0.120 4.049 4.170 -0.001 0.000 0.248 35 I C 2.116 178.137 176.117 -0.160 0.000 1.109 35 I CA 1.367 62.572 61.300 -0.157 0.000 1.425 35 I CB -0.124 37.761 38.000 -0.192 0.000 1.094 35 I HN 0.266 nan 8.210 nan 0.000 0.425 36 L N 0.166 121.249 121.223 -0.234 0.000 2.249 36 L HA 0.053 4.392 4.340 -0.001 0.000 0.207 36 L C 2.524 179.256 176.870 -0.229 0.000 1.090 36 L CA 0.884 55.518 54.840 -0.343 0.000 0.802 36 L CB -0.332 41.270 42.059 -0.762 0.000 0.947 36 L HN 0.153 nan 8.230 nan 0.000 0.453 37 A N -0.603 122.151 122.820 -0.110 0.000 1.938 37 A HA -0.001 4.319 4.320 -0.001 0.000 0.207 37 A C 2.084 179.663 177.584 -0.007 0.000 1.292 37 A CA 0.267 52.281 52.037 -0.038 0.000 0.700 37 A CB -0.180 18.830 19.000 0.018 0.000 0.947 37 A HN 0.206 nan 8.150 nan 0.000 0.476 38 E N 0.035 120.223 120.200 -0.019 0.000 2.007 38 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 38 E C 1.505 178.106 176.600 0.001 0.000 0.999 38 E CA 1.408 57.804 56.400 -0.006 0.000 0.811 38 E CB -0.115 29.571 29.700 -0.023 0.000 0.762 38 E HN 0.379 nan 8.360 nan 0.000 0.450 39 K N 0.191 120.580 120.400 -0.020 0.000 2.444 39 K HA 0.120 4.439 4.320 -0.001 0.000 0.193 39 K C -0.339 176.258 176.600 -0.005 0.000 1.024 39 K CA -0.100 56.179 56.287 -0.012 0.000 1.077 39 K CB 0.249 32.735 32.500 -0.024 0.000 0.833 39 K HN 0.022 nan 8.250 nan 0.000 0.517 40 R N 1.647 122.145 120.500 -0.003 0.000 3.109 40 R HA -0.144 4.196 4.340 -0.001 0.000 0.241 40 R C -0.574 175.726 176.300 0.000 0.000 0.882 40 R CA 0.862 56.972 56.100 0.016 0.000 0.604 40 R CB -2.270 28.080 30.300 0.083 0.000 1.040 40 R HN 0.342 nan 8.270 nan 0.000 0.480 41 T N -2.931 111.603 114.554 -0.034 0.000 2.901 41 T HA 0.105 4.454 4.350 -0.001 0.000 0.301 41 T C 1.220 175.908 174.700 -0.020 0.000 1.012 41 T CA -0.495 61.589 62.100 -0.026 0.000 1.135 41 T CB 1.457 70.300 68.868 -0.040 0.000 0.936 41 T HN 0.349 nan 8.240 nan 0.000 0.539 42 E N 2.226 122.425 120.200 -0.001 0.000 2.060 42 E HA 0.015 4.364 4.350 -0.001 0.000 0.189 42 E C 0.706 177.306 176.600 -0.000 0.000 0.974 42 E CA 0.559 56.962 56.400 0.006 0.000 0.808 42 E CB 0.185 29.897 29.700 0.019 0.000 0.768 42 E HN 0.556 nan 8.360 nan 0.000 0.453 43 R N 1.464 121.966 120.500 0.003 0.000 2.215 43 R HA 0.341 4.681 4.340 -0.001 0.000 0.336 43 R C -0.589 175.707 176.300 -0.006 0.000 0.996 43 R CA -0.178 55.921 56.100 -0.001 0.000 0.847 43 R CB 0.873 31.176 30.300 0.006 0.000 1.127 43 R HN 0.053 nan 8.270 nan 0.000 0.465 44 I N 3.800 124.365 120.570 -0.008 0.000 2.304 44 I HA 0.229 4.399 4.170 -0.001 0.000 0.291 44 I C -0.148 175.979 176.117 0.017 0.000 1.018 44 I CA -0.876 60.424 61.300 0.001 0.000 1.260 44 I CB 1.344 39.342 38.000 -0.003 0.000 1.390 44 I HN 0.171 nan 8.210 nan 0.000 0.475 45 V N 6.124 126.054 119.914 0.027 0.000 2.394 45 V HA 0.263 4.382 4.120 -0.001 0.000 0.282 45 V C 0.165 176.298 176.094 0.066 0.000 1.031 45 V CA -0.563 61.762 62.300 0.041 0.000 0.881 45 V CB 1.674 33.518 31.823 0.035 0.000 0.982 45 V HN 0.737 nan 8.190 nan 0.000 0.451 46 E N 4.544 124.791 120.200 0.078 0.000 2.175 46 E HA 0.577 4.926 4.350 -0.001 0.000 0.278 46 E C -1.320 175.340 176.600 0.101 0.000 0.969 46 E CA -0.608 55.841 56.400 0.082 0.000 0.796 46 E CB 1.421 31.163 29.700 0.069 0.000 1.104 46 E HN 0.625 nan 8.360 nan 0.000 0.395 47 I N 4.279 124.885 120.570 0.059 0.000 2.410 47 I HA 0.587 4.756 4.170 -0.001 0.000 0.286 47 I C 0.314 176.414 176.117 -0.029 0.000 1.009 47 I CA -0.329 60.983 61.300 0.019 0.000 1.111 47 I CB 1.566 39.544 38.000 -0.038 0.000 1.262 47 I HN 0.720 nan 8.210 nan 0.000 0.443 48 G N 6.331 115.120 108.800 -0.019 0.000 2.323 48 G HA2 0.214 4.173 3.960 -0.001 0.000 0.291 48 G HA3 0.214 4.173 3.960 -0.001 0.000 0.291 48 G C -2.841 172.070 174.900 0.018 0.000 1.278 48 G CA -0.391 44.690 45.100 -0.032 0.000 0.860 48 G HN 0.287 nan 8.290 nan 0.000 0.504 49 P HA 0.253 nan 4.420 nan 0.000 0.230 49 P C 0.443 177.757 177.300 0.024 0.000 1.168 49 P CA 0.705 63.818 63.100 0.021 0.000 0.793 49 P CB 0.478 32.177 31.700 -0.002 0.000 0.851 50 S N -0.225 115.482 115.700 0.012 0.000 2.661 50 S HA 0.295 4.764 4.470 -0.001 0.000 0.285 50 S C -0.878 173.727 174.600 0.009 0.000 1.138 50 S CA -0.730 57.474 58.200 0.007 0.000 0.855 50 S CB 1.210 64.405 63.200 -0.009 0.000 1.136 50 S HN 0.100 nan 8.310 nan 0.000 0.484 51 D N 0.961 121.366 120.400 0.008 0.000 2.896 51 D HA 0.085 4.724 4.640 -0.001 0.000 0.240 51 D C 1.194 177.491 176.300 -0.004 0.000 1.193 51 D CA -0.271 53.734 54.000 0.009 0.000 0.983 51 D CB -0.288 40.520 40.800 0.014 0.000 1.074 51 D HN 0.553 nan 8.370 nan 0.000 0.496 52 T N -1.546 112.994 114.554 -0.023 0.000 2.781 52 T HA -0.057 4.292 4.350 -0.001 0.000 0.252 52 T C 2.132 176.802 174.700 -0.050 0.000 1.039 52 T CA 0.148 62.221 62.100 -0.045 0.000 1.147 52 T CB -0.547 68.275 68.868 -0.076 0.000 0.865 52 T HN 0.237 nan 8.240 nan 0.000 0.423 53 L N 1.284 122.464 121.223 -0.072 0.000 2.265 53 L HA 0.115 4.454 4.340 -0.001 0.000 0.215 53 L C 2.981 179.896 176.870 0.075 0.000 1.117 53 L CA 1.024 55.846 54.840 -0.029 0.000 0.782 53 L CB -0.996 41.038 42.059 -0.041 0.000 0.914 53 L HN 0.529 nan 8.230 nan 0.000 0.441 54 G N 0.076 108.902 108.800 0.044 0.000 2.434 54 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.214 54 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.214 54 G C 1.577 176.504 174.900 0.045 0.000 1.202 54 G CA 0.647 45.776 45.100 0.049 0.000 0.788 54 G HN 0.434 nan 8.290 nan 0.000 0.539 55 G N 0.354 109.173 108.800 0.032 0.000 2.443 55 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.219 55 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.219 55 G C 1.769 176.696 174.900 0.045 0.000 1.131 55 G CA 1.005 46.123 45.100 0.031 0.000 0.775 55 G HN 0.410 nan 8.290 nan 0.000 0.547 56 M N 0.849 120.482 119.600 0.056 0.000 2.159 56 M HA 0.070 4.550 4.480 -0.001 0.000 0.263 56 M C 2.481 178.861 176.300 0.133 0.000 1.063 56 M CA 1.776 57.132 55.300 0.094 0.000 1.110 56 M CB 0.041 32.696 32.600 0.091 0.000 1.374 56 M HN 0.241 nan 8.290 nan 0.000 0.411 57 A N -0.672 122.223 122.820 0.125 0.000 2.178 57 A HA 0.066 4.385 4.320 -0.001 0.000 0.211 57 A C 1.960 179.563 177.584 0.032 0.000 1.157 57 A CA 0.371 52.458 52.037 0.084 0.000 0.780 57 A CB -0.329 18.719 19.000 0.080 0.000 0.828 57 A HN 0.511 nan 8.150 nan 0.000 0.476 58 R N -0.623 119.901 120.500 0.040 0.000 2.127 58 R HA 0.094 4.433 4.340 -0.001 0.000 0.217 58 R C 2.165 178.490 176.300 0.042 0.000 1.074 58 R CA 0.637 56.755 56.100 0.030 0.000 0.991 58 R CB -0.104 30.212 30.300 0.028 0.000 0.895 58 R HN 0.396 nan 8.270 nan 0.000 0.450 59 R N -0.047 120.484 120.500 0.052 0.000 2.090 59 R HA -0.056 4.284 4.340 -0.001 0.000 0.228 59 R C 2.061 178.406 176.300 0.076 0.000 1.110 59 R CA 1.835 57.970 56.100 0.059 0.000 0.973 59 R CB -0.217 30.117 30.300 0.058 0.000 0.869 59 R HN 0.286 nan 8.270 nan 0.000 0.440 60 T N -0.154 114.451 114.554 0.084 0.000 2.995 60 T HA 0.006 4.355 4.350 -0.001 0.000 0.269 60 T C 1.887 176.687 174.700 0.167 0.000 1.091 60 T CA 0.547 62.718 62.100 0.119 0.000 1.128 60 T CB -0.051 68.875 68.868 0.097 0.000 0.891 60 T HN 0.109 nan 8.240 nan 0.000 0.492 61 L N 0.192 121.464 121.223 0.082 0.000 2.217 61 L HA 0.000 4.340 4.340 -0.001 0.000 0.211 61 L C 2.798 179.753 176.870 0.141 0.000 1.107 61 L CA 1.258 56.154 54.840 0.092 0.000 0.783 61 L CB -0.382 41.688 42.059 0.018 0.000 0.919 61 L HN 0.408 nan 8.230 nan 0.000 0.442 62 Q N -0.823 119.040 119.800 0.105 0.000 2.107 62 Q HA -0.089 4.251 4.340 -0.001 0.000 0.195 62 Q C 2.285 178.334 176.000 0.081 0.000 0.964 62 Q CA 1.446 57.300 55.803 0.084 0.000 0.833 62 Q CB 0.021 28.794 28.738 0.059 0.000 0.910 62 Q HN 0.439 nan 8.270 nan 0.000 0.465 63 S N -0.122 115.625 115.700 0.078 0.000 2.515 63 S HA 0.014 4.483 4.470 -0.001 0.000 0.231 63 S C 1.504 176.123 174.600 0.032 0.000 0.987 63 S CA 0.727 58.958 58.200 0.051 0.000 0.936 63 S CB 0.209 63.437 63.200 0.047 0.000 0.766 63 S HN 0.147 nan 8.310 nan 0.000 0.528 64 K N -0.937 119.494 120.400 0.052 0.000 2.509 64 K HA 0.258 4.577 4.320 -0.001 0.000 0.205 64 K C 0.431 176.942 176.600 -0.148 0.000 1.336 64 K CA 0.213 56.444 56.287 -0.093 0.000 0.912 64 K CB 0.082 32.453 32.500 -0.216 0.000 1.568 64 K HN 0.303 nan 8.250 nan 0.000 0.475 65 Y N 2.239 122.537 120.300 -0.002 0.000 2.462 65 Y HA 0.017 4.566 4.550 -0.001 0.000 0.293 65 Y C 1.733 177.686 175.900 0.088 0.000 1.195 65 Y CA 0.170 58.285 58.100 0.026 0.000 1.276 65 Y CB -0.138 38.304 38.460 -0.029 0.000 1.082 65 Y HN 0.199 nan 8.280 nan 0.000 0.514 66 E N 1.716 122.007 120.200 0.151 0.000 2.037 66 E HA -0.290 4.060 4.350 -0.001 0.000 0.214 66 E C 2.266 178.935 176.600 0.115 0.000 1.041 66 E CA 2.243 58.712 56.400 0.114 0.000 0.872 66 E CB -0.405 29.336 29.700 0.068 0.000 0.785 66 E HN 0.300 nan 8.360 nan 0.000 0.476 67 A N -1.239 121.636 122.820 0.091 0.000 2.067 67 A HA -0.034 4.286 4.320 -0.001 0.000 0.217 67 A C 2.192 179.830 177.584 0.090 0.000 1.156 67 A CA 1.114 53.192 52.037 0.069 0.000 0.683 67 A CB -0.845 18.177 19.000 0.037 0.000 0.808 67 A HN 0.546 nan 8.150 nan 0.000 0.455 68 Y N 1.242 121.552 120.300 0.016 0.000 2.070 68 Y HA -0.283 4.267 4.550 -0.001 0.000 0.280 68 Y C 1.859 177.799 175.900 0.067 0.000 1.148 68 Y CA 2.273 60.393 58.100 0.032 0.000 1.125 68 Y CB -0.167 38.308 38.460 0.025 0.000 0.975 68 Y HN 0.349 nan 8.280 nan 0.000 0.492 69 D N 0.169 120.810 120.400 0.402 0.000 2.149 69 D HA -0.192 4.447 4.640 -0.001 0.000 0.198 69 D C 2.197 178.547 176.300 0.083 0.000 0.990 69 D CA 1.448 55.604 54.000 0.261 0.000 0.839 69 D CB -0.518 40.421 40.800 0.232 0.000 0.948 69 D HN 0.514 nan 8.370 nan 0.000 0.460 70 A N 0.596 123.454 122.820 0.063 0.000 1.898 70 A HA 0.028 4.347 4.320 -0.001 0.000 0.216 70 A C 2.251 179.821 177.584 -0.024 0.000 1.181 70 A CA 2.027 54.076 52.037 0.020 0.000 0.620 70 A CB -0.708 18.307 19.000 0.026 0.000 0.819 70 A HN 0.236 nan 8.150 nan 0.000 0.442 71 A N -0.897 121.884 122.820 -0.065 0.000 1.854 71 A HA -0.027 4.292 4.320 -0.001 0.000 0.214 71 A C 2.162 179.658 177.584 -0.146 0.000 1.192 71 A CA 2.024 53.996 52.037 -0.108 0.000 0.611 71 A CB -1.198 17.717 19.000 -0.141 0.000 0.832 71 A HN 0.415 nan 8.150 nan 0.000 0.442 72 T N 1.014 115.424 114.554 -0.241 0.000 3.163 72 T HA 0.062 4.411 4.350 -0.001 0.000 0.260 72 T C 0.991 175.640 174.700 -0.085 0.000 1.156 72 T CA 1.171 63.136 62.100 -0.226 0.000 1.072 72 T CB -0.647 67.988 68.868 -0.388 0.000 0.937 72 T HN 1.442 nan 8.240 nan 0.000 0.528 73 S N -0.045 115.626 115.700 -0.049 0.000 3.549 73 S HA -0.172 4.297 4.470 -0.001 0.000 0.366 73 S C 0.126 174.735 174.600 0.015 0.000 1.012 73 S CA -0.002 58.192 58.200 -0.010 0.000 1.141 73 S CB -2.751 60.441 63.200 -0.012 0.000 0.910 73 S HN 0.348 nan 8.310 nan 0.000 0.471 74 V N 2.112 122.051 119.914 0.041 0.000 2.455 74 V HA 0.237 4.357 4.120 -0.001 0.000 0.273 74 V C 0.918 177.047 176.094 0.059 0.000 1.045 74 V CA 0.016 62.359 62.300 0.073 0.000 0.976 74 V CB 1.066 32.981 31.823 0.154 0.000 0.993 74 V HN 0.676 nan 8.190 nan 0.000 0.475 75 Q N 5.501 125.326 119.800 0.042 0.000 2.279 75 Q HA 0.535 4.874 4.340 -0.001 0.000 0.256 75 Q C -0.420 175.596 176.000 0.026 0.000 0.937 75 Q CA -0.276 55.546 55.803 0.032 0.000 0.933 75 Q CB 1.581 30.335 28.738 0.027 0.000 1.189 75 Q HN 0.618 nan 8.270 nan 0.000 0.417 76 R N 1.792 122.303 120.500 0.020 0.000 2.750 76 R HA 0.406 4.746 4.340 -0.001 0.000 0.281 76 R C -1.002 175.299 176.300 0.003 0.000 0.972 76 R CA -0.687 55.416 56.100 0.004 0.000 0.912 76 R CB 2.140 32.434 30.300 -0.011 0.000 1.187 76 R HN 0.517 nan 8.270 nan 0.000 0.464 77 Q N 3.200 122.998 119.800 -0.003 0.000 2.309 77 Q HA 0.343 4.682 4.340 -0.001 0.000 0.254 77 Q C -1.516 174.480 176.000 -0.006 0.000 0.938 77 Q CA -0.372 55.430 55.803 -0.003 0.000 0.789 77 Q CB 1.499 30.237 28.738 -0.000 0.000 1.313 77 Q HN 0.603 nan 8.270 nan 0.000 0.438 78 I N 5.460 126.028 120.570 -0.003 0.000 2.312 78 I HA 0.354 4.524 4.170 -0.001 0.000 0.290 78 I C -0.641 175.478 176.117 0.004 0.000 1.008 78 I CA -0.543 60.759 61.300 0.003 0.000 1.226 78 I CB 0.951 38.956 38.000 0.008 0.000 1.371 78 I HN 0.466 nan 8.210 nan 0.000 0.468 79 L N 6.308 127.534 121.223 0.006 0.000 2.341 79 L HA 0.498 4.837 4.340 -0.001 0.000 0.278 79 L C -0.280 176.607 176.870 0.028 0.000 1.005 79 L CA -0.608 54.234 54.840 0.004 0.000 0.818 79 L CB 2.037 44.087 42.059 -0.016 0.000 1.259 79 L HN 0.625 nan 8.230 nan 0.000 0.418 80 C N 1.354 120.671 119.300 0.029 0.000 2.335 80 C HA 0.257 4.717 4.460 -0.001 0.000 0.363 80 C C 1.547 176.586 174.990 0.082 0.000 1.198 80 C CA -0.349 58.706 59.018 0.062 0.000 2.279 80 C CB 0.854 28.622 27.740 0.047 0.000 2.334 80 C HN 0.857 nan 8.230 nan 0.000 0.559 81 Y N 1.652 121.962 120.300 0.017 0.000 2.242 81 Y HA -0.013 4.536 4.550 -0.001 0.000 0.291 81 Y C 2.219 178.132 175.900 0.021 0.000 1.137 81 Y CA 2.270 60.391 58.100 0.034 0.000 1.181 81 Y CB -0.322 38.160 38.460 0.038 0.000 0.989 81 Y HN 0.847 nan 8.280 nan 0.000 0.527 82 C N 0.688 120.054 119.300 0.110 0.000 3.440 82 C HA -0.136 4.323 4.460 -0.001 0.000 0.294 82 C C 2.560 177.526 174.990 -0.040 0.000 1.261 82 C CA 1.191 60.228 59.018 0.030 0.000 1.783 82 C CB -1.118 26.654 27.740 0.053 0.000 2.126 82 C HN 0.449 nan 8.230 nan 0.000 0.460 83 K N 1.100 121.490 120.400 -0.017 0.000 2.020 83 K HA -0.154 4.166 4.320 -0.001 0.000 0.212 83 K C 0.647 177.217 176.600 -0.050 0.000 1.050 83 K CA 1.645 57.915 56.287 -0.028 0.000 0.929 83 K CB -0.453 32.039 32.500 -0.012 0.000 0.714 83 K HN 0.594 nan 8.250 nan 0.000 0.443 84 D N 0.389 120.758 120.400 -0.051 0.000 2.706 84 D HA 0.148 4.787 4.640 -0.001 0.000 0.236 84 D C 0.905 177.145 176.300 -0.100 0.000 1.231 84 D CA 0.062 54.026 54.000 -0.061 0.000 0.828 84 D CB 0.618 41.393 40.800 -0.041 0.000 1.015 84 D HN 0.180 nan 8.370 nan 0.000 0.484 85 A N 1.020 123.750 122.820 -0.150 0.000 1.940 85 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 85 A C 2.146 179.631 177.584 -0.166 0.000 1.176 85 A CA 1.169 53.055 52.037 -0.251 0.000 0.631 85 A CB -0.064 18.742 19.000 -0.324 0.000 0.814 85 A HN 0.115 nan 8.150 nan 0.000 0.446 86 K N -0.456 119.871 120.400 -0.122 0.000 2.116 86 K HA -0.090 4.229 4.320 -0.001 0.000 0.203 86 K C 1.783 178.355 176.600 -0.046 0.000 1.052 86 K CA 1.348 57.587 56.287 -0.080 0.000 0.952 86 K CB -0.149 32.311 32.500 -0.066 0.000 0.729 86 K HN 0.658 nan 8.250 nan 0.000 0.446 87 E N 0.863 121.015 120.200 -0.080 0.000 2.268 87 E HA -0.106 4.244 4.350 -0.001 0.000 0.195 87 E C 1.888 178.318 176.600 -0.283 0.000 0.995 87 E CA 0.493 56.809 56.400 -0.141 0.000 0.836 87 E CB 0.008 29.642 29.700 -0.109 0.000 0.763 87 E HN 0.201 nan 8.360 nan 0.000 0.491 88 I N 0.338 120.811 120.570 -0.161 0.000 2.179 88 I HA -0.254 3.915 4.170 -0.001 0.000 0.242 88 I C 1.605 177.560 176.117 -0.269 0.000 1.088 88 I CA 1.652 62.838 61.300 -0.189 0.000 1.357 88 I CB -0.801 37.195 38.000 -0.006 0.000 1.051 88 I HN 0.179 nan 8.210 nan 0.000 0.409 89 Y N -0.825 119.348 120.300 -0.212 0.000 2.470 89 Y HA 0.054 4.603 4.550 -0.001 0.000 0.284 89 Y C -0.106 175.821 175.900 0.045 0.000 1.188 89 Y CA -0.560 57.503 58.100 -0.062 0.000 1.269 89 Y CB -0.362 38.078 38.460 -0.032 0.000 1.094 89 Y HN 0.024 nan 8.280 nan 0.000 0.518 90 Y N 0.070 120.432 120.300 0.103 0.000 3.001 90 Y HA -0.292 4.258 4.550 -0.001 0.000 0.199 90 Y C -0.249 175.688 175.900 0.060 0.000 1.320 90 Y CA 0.317 58.452 58.100 0.059 0.000 0.974 90 Y CB -1.526 36.955 38.460 0.035 0.000 1.291 90 Y HN 0.198 nan 8.280 nan 0.000 0.465 91 D N 0.756 121.240 120.400 0.140 0.000 2.441 91 D HA 0.644 5.284 4.640 -0.001 0.000 0.231 91 D C -0.868 175.465 176.300 0.055 0.000 1.073 91 D CA -0.251 53.802 54.000 0.089 0.000 0.850 91 D CB 0.812 41.640 40.800 0.047 0.000 1.062 91 D HN 0.009 nan 8.370 nan 0.000 0.524 92 V N 2.609 122.558 119.914 0.059 0.000 2.876 92 V HA 0.459 4.578 4.120 -0.001 0.000 0.312 92 V C -0.031 176.081 176.094 0.029 0.000 1.085 92 V CA -1.019 61.305 62.300 0.040 0.000 0.945 92 V CB 2.159 34.012 31.823 0.050 0.000 1.017 92 V HN 0.344 nan 8.190 nan 0.000 0.428 93 E N 2.564 122.775 120.200 0.018 0.000 2.266 93 E HA 0.627 4.977 4.350 -0.001 0.000 0.277 93 E C -2.114 174.495 176.600 0.014 0.000 1.018 93 E CA -1.098 55.311 56.400 0.014 0.000 0.840 93 E CB 0.801 30.506 29.700 0.007 0.000 1.082 93 E HN 0.607 nan 8.360 nan 0.000 0.395 326 D N 2.575 122.977 120.400 0.004 0.000 2.350 326 D HA 0.038 4.677 4.640 -0.001 0.000 0.216 326 D C 1.739 178.041 176.300 0.004 0.000 0.968 326 D CA 1.371 55.374 54.000 0.005 0.000 0.894 326 D CB 0.212 41.015 40.800 0.004 0.000 0.909 326 D HN 0.446 nan 8.370 nan 0.000 0.520 327 A N 0.283 123.103 122.820 0.001 0.000 1.997 327 A HA 0.104 4.423 4.320 -0.001 0.000 0.212 327 A C 2.130 179.711 177.584 -0.004 0.000 1.178 327 A CA -0.025 52.011 52.037 -0.002 0.000 0.698 327 A CB -0.378 18.620 19.000 -0.004 0.000 0.842 327 A HN 0.123 nan 8.150 nan 0.000 0.458 328 L N 0.462 121.684 121.223 -0.002 0.000 2.456 328 L HA -0.100 4.240 4.340 -0.001 0.000 0.224 328 L C 2.395 179.265 176.870 0.001 0.000 1.148 328 L CA 1.621 56.459 54.840 -0.002 0.000 0.825 328 L CB -0.073 41.986 42.059 -0.000 0.000 0.937 328 L HN 0.665 nan 8.230 nan 0.000 0.450 329 T N -6.330 108.228 114.554 0.006 0.000 2.969 329 T HA 0.028 4.377 4.350 -0.001 0.000 0.250 329 T C 1.699 176.409 174.700 0.016 0.000 1.021 329 T CA -0.285 61.826 62.100 0.017 0.000 1.003 329 T CB 0.074 68.957 68.868 0.026 0.000 1.040 329 T HN 0.022 nan 8.240 nan 0.000 0.492 330 K N 1.258 121.662 120.400 0.007 0.000 2.442 330 K HA -0.035 4.285 4.320 -0.001 0.000 0.198 330 K C 1.311 177.905 176.600 -0.009 0.000 1.042 330 K CA 1.064 57.353 56.287 0.004 0.000 0.958 330 K CB -0.009 32.492 32.500 0.001 0.000 0.766 330 K HN 0.412 nan 8.250 nan 0.000 0.474 331 D N 0.552 120.938 120.400 -0.022 0.000 2.137 331 D HA -0.129 4.511 4.640 -0.001 0.000 0.202 331 D C 1.914 178.163 176.300 -0.084 0.000 0.970 331 D CA 0.812 54.783 54.000 -0.049 0.000 0.837 331 D CB 0.063 40.832 40.800 -0.052 0.000 0.981 331 D HN 0.160 nan 8.370 nan 0.000 0.475 332 Q N 1.081 120.841 119.800 -0.067 0.000 1.985 332 Q HA -0.165 4.174 4.340 -0.001 0.000 0.207 332 Q C 2.340 178.313 176.000 -0.044 0.000 0.996 332 Q CA 1.264 57.009 55.803 -0.096 0.000 0.851 332 Q CB -0.461 28.314 28.738 0.062 0.000 0.921 332 Q HN 0.364 nan 8.270 nan 0.000 0.418 333 R N 0.425 120.970 120.500 0.076 0.000 2.094 333 R HA -0.180 4.159 4.340 -0.001 0.000 0.239 333 R C 2.393 178.730 176.300 0.062 0.000 1.137 333 R CA 1.460 57.632 56.100 0.120 0.000 0.943 333 R CB -0.718 29.627 30.300 0.075 0.000 0.850 333 R HN 0.312 nan 8.270 nan 0.000 0.433 334 A N 1.687 124.507 122.820 0.001 0.000 1.873 334 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 334 A C 2.174 179.724 177.584 -0.056 0.000 1.193 334 A CA 1.668 53.693 52.037 -0.021 0.000 0.629 334 A CB -0.725 18.255 19.000 -0.034 0.000 0.826 334 A HN 0.296 nan 8.150 nan 0.000 0.447 335 L N -1.220 119.911 121.223 -0.153 0.000 2.043 335 L HA -0.147 4.192 4.340 -0.001 0.000 0.212 335 L C 2.203 178.936 176.870 -0.227 0.000 1.075 335 L CA 2.087 56.766 54.840 -0.269 0.000 0.752 335 L CB -0.828 40.930 42.059 -0.501 0.000 0.891 335 L HN 0.423 nan 8.230 nan 0.000 0.432 336 F N -0.682 119.263 119.950 -0.008 0.000 2.335 336 F HA -0.063 4.464 4.527 -0.001 0.000 0.296 336 F C 2.489 178.285 175.800 -0.006 0.000 1.091 336 F CA 0.864 58.859 58.000 -0.008 0.000 1.399 336 F CB -0.157 38.838 39.000 -0.008 0.000 1.067 336 F HN 0.041 nan 8.300 nan 0.000 0.520 337 K N 0.590 121.085 120.400 0.158 0.000 2.057 337 K HA -0.203 4.117 4.320 -0.001 0.000 0.207 337 K C 1.946 178.585 176.600 0.064 0.000 1.049 337 K CA 1.452 57.794 56.287 0.092 0.000 0.931 337 K CB -0.039 32.496 32.500 0.057 0.000 0.714 337 K HN 0.297 nan 8.250 nan 0.000 0.440 338 Q N -0.156 119.669 119.800 0.042 0.000 2.079 338 Q HA -0.174 4.166 4.340 -0.001 0.000 0.200 338 Q C 2.228 178.252 176.000 0.041 0.000 0.974 338 Q CA 1.035 56.853 55.803 0.025 0.000 0.840 338 Q CB -0.055 28.681 28.738 -0.003 0.000 0.898 338 Q HN 0.324 nan 8.270 nan 0.000 0.430 339 Q N 0.849 120.687 119.800 0.065 0.000 2.029 339 Q HA -0.221 4.118 4.340 -0.001 0.000 0.209 339 Q C 2.232 178.280 176.000 0.080 0.000 0.999 339 Q CA 1.389 57.247 55.803 0.092 0.000 0.857 339 Q CB -0.528 28.333 28.738 0.207 0.000 0.926 339 Q HN 0.433 nan 8.270 nan 0.000 0.415 340 L N 0.967 122.244 121.223 0.090 0.000 2.042 340 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 340 L C 2.351 179.252 176.870 0.051 0.000 1.076 340 L CA 1.413 56.291 54.840 0.063 0.000 0.749 340 L CB -0.177 41.916 42.059 0.057 0.000 0.893 340 L HN 0.220 nan 8.230 nan 0.000 0.432 341 E N 0.272 120.500 120.200 0.048 0.000 2.077 341 E HA -0.241 4.108 4.350 -0.001 0.000 0.193 341 E C 2.113 178.742 176.600 0.047 0.000 0.989 341 E CA 1.997 58.421 56.400 0.040 0.000 0.800 341 E CB -0.326 29.393 29.700 0.032 0.000 0.746 341 E HN 0.773 nan 8.360 nan 0.000 0.452 342 I N -1.734 118.864 120.570 0.047 0.000 2.676 342 I HA -0.084 4.085 4.170 -0.001 0.000 0.259 342 I C 2.294 178.460 176.117 0.081 0.000 1.194 342 I CA 0.763 62.096 61.300 0.054 0.000 1.473 342 I CB -0.324 37.697 38.000 0.035 0.000 1.096 342 I HN -0.083 nan 8.210 nan 0.000 0.443 343 I N 1.994 122.607 120.570 0.072 0.000 2.233 343 I HA -0.150 4.019 4.170 -0.001 0.000 0.243 343 I C 3.072 179.273 176.117 0.140 0.000 1.093 343 I CA 1.174 62.533 61.300 0.098 0.000 1.380 343 I CB -0.569 37.469 38.000 0.063 0.000 1.067 343 I HN 0.273 nan 8.210 nan 0.000 0.413 344 A N 1.244 124.117 122.820 0.089 0.000 1.873 344 A HA -0.296 4.023 4.320 -0.001 0.000 0.218 344 A C 2.446 180.074 177.584 0.073 0.000 1.193 344 A CA 2.187 54.266 52.037 0.069 0.000 0.629 344 A CB -0.843 18.184 19.000 0.045 0.000 0.826 344 A HN 0.359 nan 8.150 nan 0.000 0.447 345 R N -2.035 118.512 120.500 0.078 0.000 2.117 345 R HA -0.236 4.103 4.340 -0.001 0.000 0.243 345 R C 2.071 178.423 176.300 0.088 0.000 1.143 345 R CA 2.187 58.328 56.100 0.069 0.000 0.968 345 R CB -0.511 29.830 30.300 0.068 0.000 0.863 345 R HN 0.674 nan 8.270 nan 0.000 0.444 346 Y N 0.642 120.946 120.300 0.007 0.000 2.263 346 Y HA -0.051 4.499 4.550 -0.001 0.000 0.292 346 Y C 1.478 177.381 175.900 0.005 0.000 1.130 346 Y CA 1.351 59.455 58.100 0.006 0.000 1.179 346 Y CB 0.055 38.519 38.460 0.007 0.000 0.998 346 Y HN 0.037 nan 8.280 nan 0.000 0.532 347 L N 0.713 121.937 121.223 0.002 0.000 2.599 347 L HA 0.002 4.341 4.340 -0.001 0.000 0.230 347 L C 0.323 177.141 176.870 -0.086 0.000 1.141 347 L CA 0.279 55.071 54.840 -0.081 0.000 0.877 347 L CB -0.337 41.747 42.059 0.042 0.000 1.009 347 L HN 0.001 nan 8.230 nan 0.000 0.447 348 K N 1.369 121.727 120.400 -0.069 0.000 3.257 348 K HA -0.177 4.143 4.320 -0.001 0.000 0.270 348 K C -0.402 176.183 176.600 -0.025 0.000 0.984 348 K CA 1.075 57.332 56.287 -0.049 0.000 0.739 348 K CB -1.691 30.764 32.500 -0.075 0.000 1.351 348 K HN 0.547 nan 8.250 nan 0.000 0.463 349 M N -1.467 118.130 119.600 -0.006 0.000 2.267 349 M HA 0.397 4.876 4.480 -0.001 0.000 0.289 349 M C -0.561 175.743 176.300 0.008 0.000 1.043 349 M CA -0.970 54.330 55.300 0.001 0.000 0.928 349 M CB 2.293 34.895 32.600 0.004 0.000 1.613 349 M HN -0.109 nan 8.290 nan 0.000 0.450 350 D N 3.392 123.796 120.400 0.006 0.000 2.339 350 D HA 0.259 4.898 4.640 -0.001 0.000 0.256 350 D C 0.554 176.860 176.300 0.010 0.000 1.214 350 D CA -0.118 53.888 54.000 0.009 0.000 0.877 350 D CB 1.047 41.853 40.800 0.009 0.000 1.111 350 D HN 0.830 nan 8.370 nan 0.000 0.478 351 L N 3.282 124.511 121.223 0.010 0.000 2.131 351 L HA -0.009 4.330 4.340 -0.001 0.000 0.206 351 L C 1.836 178.708 176.870 0.004 0.000 1.087 351 L CA 0.642 55.487 54.840 0.007 0.000 0.767 351 L CB -0.090 41.974 42.059 0.008 0.000 0.917 351 L HN 0.219 nan 8.230 nan 0.000 0.441 352 R N 0.135 120.638 120.500 0.006 0.000 2.335 352 R HA 0.157 4.496 4.340 -0.001 0.000 0.223 352 R C 1.951 178.259 176.300 0.014 0.000 0.940 352 R CA 0.502 56.604 56.100 0.004 0.000 1.086 352 R CB -0.199 30.104 30.300 0.005 0.000 1.073 352 R HN 0.197 nan 8.270 nan 0.000 0.504 353 A N -0.034 122.795 122.820 0.015 0.000 2.070 353 A HA -0.034 4.285 4.320 -0.001 0.000 0.220 353 A C 2.115 179.718 177.584 0.032 0.000 1.159 353 A CA 1.615 53.665 52.037 0.022 0.000 0.656 353 A CB -0.608 18.402 19.000 0.017 0.000 0.800 353 A HN 0.425 nan 8.150 nan 0.000 0.453 354 G N -0.117 108.699 108.800 0.028 0.000 2.395 354 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.214 354 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.214 354 G C 1.125 176.066 174.900 0.068 0.000 1.177 354 G CA 0.939 46.065 45.100 0.042 0.000 0.794 354 G HN 0.513 nan 8.290 nan 0.000 0.532 355 D N 0.890 121.305 120.400 0.025 0.000 2.178 355 D HA -0.081 4.558 4.640 -0.001 0.000 0.201 355 D C 2.305 178.671 176.300 0.110 0.000 0.980 355 D CA 0.760 54.769 54.000 0.015 0.000 0.842 355 D CB -0.018 40.757 40.800 -0.041 0.000 0.948 355 D HN 0.296 nan 8.370 nan 0.000 0.472 356 K N 0.923 121.371 120.400 0.080 0.000 2.002 356 K HA -0.065 4.255 4.320 -0.001 0.000 0.209 356 K C 2.255 178.916 176.600 0.101 0.000 1.048 356 K CA 1.080 57.415 56.287 0.080 0.000 0.930 356 K CB -0.145 32.384 32.500 0.047 0.000 0.714 356 K HN 0.008 nan 8.250 nan 0.000 0.438 357 A N 0.877 123.755 122.820 0.096 0.000 2.015 357 A HA -0.146 4.173 4.320 -0.001 0.000 0.219 357 A C 1.911 179.560 177.584 0.109 0.000 1.163 357 A CA 0.947 53.032 52.037 0.080 0.000 0.646 357 A CB -0.579 18.458 19.000 0.062 0.000 0.806 357 A HN 0.397 nan 8.150 nan 0.000 0.448 358 F N 0.162 120.112 119.950 -0.001 0.000 2.074 358 F HA -0.110 4.417 4.527 -0.001 0.000 0.293 358 F C 2.157 177.957 175.800 -0.001 0.000 1.116 358 F CA 1.868 59.868 58.000 -0.001 0.000 1.212 358 F CB -0.385 38.614 39.000 -0.001 0.000 0.998 358 F HN 0.001 nan 8.300 nan 0.000 0.471 359 V N 1.251 121.406 119.914 0.401 0.000 2.277 359 V HA -0.429 3.691 4.120 -0.001 0.000 0.253 359 V C 2.771 178.859 176.094 -0.010 0.000 1.067 359 V CA 2.092 64.509 62.300 0.196 0.000 1.047 359 V CB -1.568 30.364 31.823 0.182 0.000 0.649 359 V HN 0.598 nan 8.190 nan 0.000 0.447 360 A N 0.035 122.857 122.820 0.004 0.000 1.851 360 A HA -0.270 4.049 4.320 -0.001 0.000 0.216 360 A C 2.577 180.115 177.584 -0.077 0.000 1.195 360 A CA 2.810 54.832 52.037 -0.025 0.000 0.622 360 A CB -0.987 18.012 19.000 -0.002 0.000 0.831 360 A HN 0.714 nan 8.150 nan 0.000 0.444 361 S N -1.048 114.580 115.700 -0.121 0.000 2.428 361 S HA -0.149 4.321 4.470 -0.001 0.000 0.230 361 S C 1.803 176.283 174.600 -0.199 0.000 1.014 361 S CA 1.243 59.358 58.200 -0.142 0.000 0.957 361 S CB -0.438 62.675 63.200 -0.145 0.000 0.784 361 S HN 0.600 nan 8.310 nan 0.000 0.499 362 Q N -0.025 119.589 119.800 -0.311 0.000 2.488 362 Q HA 0.054 4.393 4.340 -0.001 0.000 0.211 362 Q C 1.579 177.492 176.000 -0.145 0.000 0.967 362 Q CA 0.577 56.201 55.803 -0.299 0.000 0.926 362 Q CB 0.052 28.500 28.738 -0.484 0.000 0.992 362 Q HN 0.643 nan 8.270 nan 0.000 0.506 363 E N -0.415 119.724 120.200 -0.101 0.000 2.127 363 E HA 0.006 4.356 4.350 -0.001 0.000 0.191 363 E C 1.862 178.433 176.600 -0.048 0.000 0.964 363 E CA 0.472 56.839 56.400 -0.055 0.000 0.832 363 E CB 0.203 29.883 29.700 -0.034 0.000 0.790 363 E HN 0.097 nan 8.360 nan 0.000 0.465 364 S N 1.318 116.986 115.700 -0.053 0.000 2.447 364 S HA -0.107 4.362 4.470 -0.001 0.000 0.233 364 S C 1.696 176.270 174.600 -0.043 0.000 1.006 364 S CA 0.577 58.752 58.200 -0.041 0.000 0.957 364 S CB -0.036 63.141 63.200 -0.040 0.000 0.773 364 S HN 0.232 nan 8.310 nan 0.000 0.507 365 Q N 0.192 119.955 119.800 -0.063 0.000 2.482 365 Q HA 0.085 4.425 4.340 -0.001 0.000 0.209 365 Q C 1.471 177.447 176.000 -0.039 0.000 0.961 365 Q CA 0.551 56.319 55.803 -0.058 0.000 0.945 365 Q CB 0.145 28.829 28.738 -0.090 0.000 1.012 365 Q HN 0.458 nan 8.270 nan 0.000 0.515 366 K N -1.211 119.169 120.400 -0.033 0.000 2.262 366 K HA 0.152 4.471 4.320 -0.001 0.000 0.200 366 K C 1.868 178.463 176.600 -0.008 0.000 1.058 366 K CA 0.608 56.884 56.287 -0.019 0.000 0.974 366 K CB 0.222 32.711 32.500 -0.019 0.000 0.910 366 K HN 0.024 nan 8.250 nan 0.000 0.484 367 A N 1.822 124.637 122.820 -0.009 0.000 2.024 367 A HA -0.136 4.184 4.320 -0.001 0.000 0.220 367 A C 1.983 179.572 177.584 0.010 0.000 1.164 367 A CA 1.149 53.185 52.037 -0.001 0.000 0.643 367 A CB -0.530 18.467 19.000 -0.004 0.000 0.806 367 A HN 0.125 nan 8.150 nan 0.000 0.451 368 L N -1.400 119.826 121.223 0.006 0.000 1.950 368 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 368 L C 2.823 179.712 176.870 0.031 0.000 1.079 368 L CA 2.166 57.016 54.840 0.017 0.000 0.754 368 L CB -0.948 41.111 42.059 0.000 0.000 0.889 368 L HN 0.479 nan 8.230 nan 0.000 0.433 369 Q N -0.149 119.661 119.800 0.018 0.000 2.268 369 Q HA -0.216 4.123 4.340 -0.001 0.000 0.210 369 Q C 1.923 177.943 176.000 0.033 0.000 0.988 369 Q CA 1.871 57.689 55.803 0.025 0.000 0.883 369 Q CB -0.148 28.596 28.738 0.011 0.000 0.911 369 Q HN 0.504 nan 8.270 nan 0.000 0.430 370 A N 0.058 122.892 122.820 0.024 0.000 1.845 370 A HA -0.273 4.046 4.320 -0.001 0.000 0.215 370 A C 2.052 179.655 177.584 0.031 0.000 1.195 370 A CA 1.720 53.769 52.037 0.019 0.000 0.616 370 A CB -0.843 18.162 19.000 0.008 0.000 0.832 370 A HN 0.563 nan 8.150 nan 0.000 0.443 371 Q N -1.039 118.790 119.800 0.049 0.000 2.079 371 Q HA -0.155 4.185 4.340 -0.001 0.000 0.200 371 Q C 2.083 178.189 176.000 0.176 0.000 0.974 371 Q CA 1.534 57.381 55.803 0.074 0.000 0.840 371 Q CB -0.207 28.595 28.738 0.107 0.000 0.898 371 Q HN 0.563 nan 8.270 nan 0.000 0.430 372 L N 1.292 122.628 121.223 0.189 0.000 2.042 372 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 372 L C 1.531 178.519 176.870 0.198 0.000 1.076 372 L CA 1.976 56.955 54.840 0.232 0.000 0.749 372 L CB -0.310 41.815 42.059 0.111 0.000 0.893 372 L HN 0.170 nan 8.230 nan 0.000 0.432 373 D N -0.977 119.489 120.400 0.109 0.000 2.263 373 D HA -0.166 4.473 4.640 -0.001 0.000 0.208 373 D C 2.000 178.341 176.300 0.068 0.000 0.971 373 D CA 0.990 55.037 54.000 0.078 0.000 0.867 373 D CB -0.073 40.751 40.800 0.042 0.000 0.929 373 D HN 0.289 nan 8.370 nan 0.000 0.492 374 L N -0.617 120.629 121.223 0.038 0.000 1.973 374 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 374 L C 1.881 178.747 176.870 -0.007 0.000 1.073 374 L CA 1.679 56.486 54.840 -0.055 0.000 0.746 374 L CB -0.920 41.022 42.059 -0.195 0.000 0.891 374 L HN 0.070 nan 8.230 nan 0.000 0.433 375 W N -0.076 121.246 121.300 0.037 0.000 2.290 375 W HA -0.292 4.368 4.660 -0.001 0.000 0.318 375 W C 2.707 179.281 176.519 0.090 0.000 1.248 375 W CA 1.395 58.762 57.345 0.037 0.000 1.263 375 W CB -0.622 28.808 29.460 -0.050 0.000 1.147 375 W HN 0.244 nan 8.180 nan 0.000 0.494 376 Q N -0.294 119.682 119.800 0.293 0.000 2.181 376 Q HA -0.169 4.170 4.340 -0.001 0.000 0.205 376 Q C 2.277 178.366 176.000 0.149 0.000 0.980 376 Q CA 1.925 57.843 55.803 0.191 0.000 0.862 376 Q CB -0.940 27.875 28.738 0.128 0.000 0.905 376 Q HN 0.423 nan 8.270 nan 0.000 0.429 377 A N 0.599 123.486 122.820 0.112 0.000 1.903 377 A HA -0.082 4.237 4.320 -0.001 0.000 0.213 377 A C 1.881 179.482 177.584 0.029 0.000 1.185 377 A CA 0.752 52.820 52.037 0.053 0.000 0.628 377 A CB -0.087 18.923 19.000 0.017 0.000 0.830 377 A HN 0.142 nan 8.150 nan 0.000 0.446 378 E N -0.522 119.709 120.200 0.052 0.000 2.338 378 E HA -0.132 4.217 4.350 -0.001 0.000 0.197 378 E C 1.074 177.503 176.600 -0.286 0.000 1.007 378 E CA 1.192 57.543 56.400 -0.082 0.000 0.849 378 E CB -0.117 29.543 29.700 -0.066 0.000 0.774 378 E HN 0.846 nan 8.360 nan 0.000 0.506 379 H N -1.700 117.337 119.070 -0.055 0.000 3.091 379 H HA 0.343 4.899 4.556 -0.001 0.000 0.249 379 H C 0.788 176.104 175.328 -0.020 0.000 0.985 379 H CA 0.563 56.527 56.048 -0.140 0.000 1.177 379 H CB 1.036 30.700 29.762 -0.163 0.000 1.456 379 H HN 0.190 nan 8.280 nan 0.000 0.467 380 G N 0.765 109.660 108.800 0.158 0.000 2.758 380 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.686 380 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.686 380 G C -0.049 174.948 174.900 0.162 0.000 1.389 380 G CA -0.002 45.174 45.100 0.127 0.000 0.845 380 G HN 0.224 nan 8.290 nan 0.000 0.572 381 D N -0.209 120.258 120.400 0.111 0.000 2.117 381 D HA -0.078 4.561 4.640 -0.001 0.000 0.198 381 D C 2.686 179.044 176.300 0.097 0.000 0.982 381 D CA 1.669 55.724 54.000 0.092 0.000 0.828 381 D CB -0.046 40.788 40.800 0.058 0.000 0.967 381 D HN 0.521 nan 8.370 nan 0.000 0.464 382 I N -0.255 120.377 120.570 0.103 0.000 2.315 382 I HA -0.246 3.923 4.170 -0.001 0.000 0.248 382 I C 2.364 178.544 176.117 0.106 0.000 1.117 382 I CA 0.803 62.154 61.300 0.085 0.000 1.404 382 I CB -0.366 37.682 38.000 0.080 0.000 1.071 382 I HN -0.023 nan 8.210 nan 0.000 0.419 383 Y N 1.904 122.233 120.300 0.049 0.000 2.220 383 Y HA -0.163 4.387 4.550 -0.001 0.000 0.291 383 Y C 2.601 178.520 175.900 0.031 0.000 1.129 383 Y CA 1.253 59.389 58.100 0.061 0.000 1.161 383 Y CB -0.210 38.327 38.460 0.129 0.000 0.997 383 Y HN 0.085 nan 8.280 nan 0.000 0.522 384 A N 0.841 123.800 122.820 0.231 0.000 1.883 384 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 384 A C 2.419 179.978 177.584 -0.043 0.000 1.186 384 A CA 2.246 54.341 52.037 0.097 0.000 0.624 384 A CB -1.611 17.452 19.000 0.106 0.000 0.822 384 A HN 0.629 nan 8.150 nan 0.000 0.444 385 A N -0.724 122.079 122.820 -0.028 0.000 1.902 385 A HA 0.107 4.426 4.320 -0.001 0.000 0.217 385 A C 2.368 179.885 177.584 -0.113 0.000 1.181 385 A CA 1.931 53.932 52.037 -0.060 0.000 0.623 385 A CB -1.335 17.647 19.000 -0.031 0.000 0.818 385 A HN 0.850 nan 8.150 nan 0.000 0.443 386 G N 0.145 108.856 108.800 -0.148 0.000 2.598 386 G HA2 0.067 4.026 3.960 -0.001 0.000 0.215 386 G HA3 0.067 4.026 3.960 -0.001 0.000 0.215 386 G C 1.187 175.916 174.900 -0.285 0.000 1.131 386 G CA 0.920 45.902 45.100 -0.197 0.000 0.785 386 G HN 0.788 nan 8.290 nan 0.000 0.539 387 I N -2.056 118.306 120.570 -0.347 0.000 3.861 387 I HA 0.348 4.517 4.170 -0.001 0.000 0.329 387 I C -0.130 175.844 176.117 -0.239 0.000 1.321 387 I CA -0.326 60.769 61.300 -0.340 0.000 1.126 387 I CB 0.254 38.004 38.000 -0.417 0.000 1.018 387 I HN -0.105 nan 8.210 nan 0.000 0.407 388 E N 3.915 123.997 120.200 -0.197 0.000 2.180 388 E HA 0.273 4.622 4.350 -0.001 0.000 0.283 388 E C -2.172 174.336 176.600 -0.154 0.000 1.061 388 E CA -1.956 54.349 56.400 -0.159 0.000 0.861 388 E CB 0.316 29.939 29.700 -0.129 0.000 1.056 388 E HN 0.127 nan 8.360 nan 0.000 0.407 389 P HA -0.094 nan 4.420 nan 0.000 0.266 389 P C -0.266 176.975 177.300 -0.098 0.000 1.193 389 P CA 0.423 63.452 63.100 -0.119 0.000 0.770 389 P CB 0.690 32.338 31.700 -0.086 0.000 0.836 390 A N 1.976 124.755 122.820 -0.068 0.000 2.733 390 A HA 0.184 4.504 4.320 -0.001 0.000 0.232 390 A C -0.116 177.467 177.584 -0.002 0.000 1.251 390 A CA -0.090 51.913 52.037 -0.057 0.000 1.015 390 A CB -0.415 18.549 19.000 -0.059 0.000 1.291 390 A HN 0.458 nan 8.150 nan 0.000 0.595 391 F N 1.650 121.555 119.950 -0.076 0.000 2.427 391 F HA 0.575 5.101 4.527 -0.001 0.000 0.352 391 F C -0.581 175.151 175.800 -0.113 0.000 1.100 391 F CA -0.502 57.474 58.000 -0.040 0.000 1.191 391 F CB 0.783 39.820 39.000 0.061 0.000 1.128 391 F HN 0.080 nan 8.300 nan 0.000 0.533 392 D N 8.336 128.059 120.400 -1.128 0.000 2.470 392 D HA 0.264 4.903 4.640 -0.001 0.000 0.233 392 D C -2.093 173.596 176.300 -1.018 0.000 1.372 392 D CA -1.923 51.520 54.000 -0.929 0.000 0.994 392 D CB 1.806 42.303 40.800 -0.505 0.000 1.377 392 D HN 0.207 nan 8.370 nan 0.000 0.586 393 P HA -0.141 nan 4.420 nan 0.000 0.221 393 P C 1.348 178.355 177.300 -0.488 0.000 1.141 393 P CA 0.806 63.386 63.100 -0.867 0.000 0.794 393 P CB 0.438 31.834 31.700 -0.507 0.000 0.764 394 L N -1.200 119.787 121.223 -0.394 0.000 2.341 394 L HA 0.053 4.392 4.340 -0.001 0.000 0.214 394 L C 2.135 178.855 176.870 -0.250 0.000 1.115 394 L CA 1.008 55.695 54.840 -0.256 0.000 0.820 394 L CB -0.620 41.312 42.059 -0.213 0.000 0.944 394 L HN -0.131 nan 8.230 nan 0.000 0.452 395 K N 0.744 120.941 120.400 -0.338 0.000 2.458 395 K HA 0.232 4.551 4.320 -0.001 0.000 0.194 395 K C 0.702 177.232 176.600 -0.116 0.000 1.024 395 K CA -0.212 55.881 56.287 -0.323 0.000 1.108 395 K CB 0.306 32.425 32.500 -0.636 0.000 0.846 395 K HN 0.161 nan 8.250 nan 0.000 0.518 396 A N 1.520 124.232 122.820 -0.180 0.000 2.450 396 A HA 0.274 4.593 4.320 -0.001 0.000 0.255 396 A C -0.276 177.263 177.584 -0.075 0.000 1.096 396 A CA -0.060 51.913 52.037 -0.105 0.000 0.778 396 A CB 0.272 19.160 19.000 -0.187 0.000 1.031 396 A HN 0.088 nan 8.150 nan 0.000 0.494 397 R N 1.274 121.707 120.500 -0.112 0.000 2.437 397 R HA 0.561 4.900 4.340 -0.001 0.000 0.310 397 R C -1.157 174.818 176.300 -0.541 0.000 0.955 397 R CA -0.657 55.253 56.100 -0.316 0.000 0.851 397 R CB 1.588 31.683 30.300 -0.341 0.000 1.161 397 R HN 0.409 nan 8.270 nan 0.000 0.446 398 V N 5.366 124.962 119.914 -0.529 0.000 2.384 398 V HA 0.396 4.515 4.120 -0.001 0.000 0.287 398 V C -1.055 174.688 176.094 -0.586 0.000 1.020 398 V CA -0.669 61.348 62.300 -0.472 0.000 0.850 398 V CB 1.013 32.708 31.823 -0.213 0.000 0.987 398 V HN 0.569 nan 8.190 nan 0.000 0.436 399 Y N 3.427 123.586 120.300 -0.234 0.000 2.331 399 Y HA 0.511 5.060 4.550 -0.001 0.000 0.338 399 Y C 0.535 175.984 175.900 -0.751 0.000 0.976 399 Y CA -1.353 56.489 58.100 -0.431 0.000 1.137 399 Y CB 1.390 39.534 38.460 -0.527 0.000 1.172 399 Y HN 0.843 nan 8.280 nan 0.000 0.478 400 D N -1.352 118.890 120.400 -0.264 0.000 2.475 400 D HA -0.012 4.627 4.640 -0.001 0.000 0.306 400 D C 0.189 176.634 176.300 0.242 0.000 1.304 400 D CA -0.043 53.940 54.000 -0.028 0.000 0.862 400 D CB -0.054 40.774 40.800 0.047 0.000 1.306 400 D HN 0.225 nan 8.370 nan 0.000 0.494 401 S N 0.630 116.443 115.700 0.189 0.000 4.069 401 S HA 0.152 4.621 4.470 -0.001 0.000 0.192 401 S C 1.581 175.944 174.600 -0.394 0.000 1.441 401 S CA 0.372 58.419 58.200 -0.255 0.000 0.994 401 S CB -0.781 62.074 63.200 -0.575 0.000 1.456 401 S HN 0.380 nan 8.310 nan 0.000 0.458 402 S N 3.246 118.969 115.700 0.039 0.000 2.368 402 S HA -0.136 4.333 4.470 -0.001 0.000 0.225 402 S C 2.017 176.528 174.600 -0.149 0.000 1.030 402 S CA 0.804 59.027 58.200 0.039 0.000 0.999 402 S CB -0.905 62.355 63.200 0.100 0.000 0.844 402 S HN 0.957 nan 8.310 nan 0.000 0.459 403 W N 2.238 123.509 121.300 -0.049 0.000 2.331 403 W HA -0.132 4.528 4.660 -0.001 0.000 0.291 403 W C 1.950 178.377 176.519 -0.153 0.000 1.214 403 W CA 1.036 58.334 57.345 -0.079 0.000 1.228 403 W CB -1.174 28.242 29.460 -0.074 0.000 1.135 403 W HN 0.454 nan 8.180 nan 0.000 0.537 404 N N 0.546 118.655 118.700 -0.984 0.000 2.197 404 N HA -0.128 4.612 4.740 -0.001 0.000 0.184 404 N C 1.733 176.935 175.510 -0.515 0.000 1.030 404 N CA 1.421 53.910 53.050 -0.935 0.000 0.851 404 N CB -0.884 36.514 38.487 -1.815 0.000 1.003 404 N HN 0.223 nan 8.380 nan 0.000 0.430 405 W N 1.855 122.994 121.300 -0.268 0.000 2.341 405 W HA -0.124 4.536 4.660 -0.001 0.000 0.283 405 W C 2.491 178.958 176.519 -0.088 0.000 1.215 405 W CA 0.319 57.571 57.345 -0.155 0.000 1.211 405 W CB -0.194 29.173 29.460 -0.154 0.000 1.131 405 W HN 0.176 nan 8.180 nan 0.000 0.552 406 A N 1.721 124.600 122.820 0.098 0.000 1.829 406 A HA -0.237 4.082 4.320 -0.001 0.000 0.216 406 A C 1.898 179.556 177.584 0.123 0.000 1.207 406 A CA 2.045 54.142 52.037 0.101 0.000 0.622 406 A CB -1.070 17.987 19.000 0.095 0.000 0.846 406 A HN 0.311 nan 8.150 nan 0.000 0.447 407 R N -0.288 120.257 120.500 0.075 0.000 2.185 407 R HA -0.221 4.119 4.340 -0.001 0.000 0.247 407 R C 2.419 178.814 176.300 0.159 0.000 1.159 407 R CA 1.694 57.834 56.100 0.066 0.000 0.988 407 R CB -0.414 29.594 30.300 -0.487 0.000 0.871 407 R HN 0.841 nan 8.270 nan 0.000 0.458 408 Q N 1.254 121.118 119.800 0.106 0.000 1.969 408 Q HA -0.171 4.168 4.340 -0.001 0.000 0.198 408 Q C 1.074 177.171 176.000 0.161 0.000 0.978 408 Q CA 1.935 57.829 55.803 0.151 0.000 0.830 408 Q CB 0.025 28.891 28.738 0.212 0.000 0.896 408 Q HN 0.199 nan 8.270 nan 0.000 0.431 409 D N 0.399 120.884 120.400 0.141 0.000 2.221 409 D HA -0.137 4.503 4.640 -0.001 0.000 0.204 409 D C 1.516 177.887 176.300 0.118 0.000 0.982 409 D CA 1.237 55.297 54.000 0.101 0.000 0.857 409 D CB -0.102 40.740 40.800 0.069 0.000 0.934 409 D HN 0.448 nan 8.370 nan 0.000 0.475 410 A N 0.497 123.413 122.820 0.160 0.000 1.825 410 A HA -0.084 4.236 4.320 -0.001 0.000 0.214 410 A C 2.123 179.803 177.584 0.160 0.000 1.206 410 A CA 0.935 53.072 52.037 0.167 0.000 0.609 410 A CB -1.104 18.038 19.000 0.237 0.000 0.851 410 A HN 0.288 nan 8.150 nan 0.000 0.445 411 L N -0.223 121.122 121.223 0.203 0.000 2.189 411 L HA -0.177 4.162 4.340 -0.001 0.000 0.214 411 L C 2.631 179.652 176.870 0.252 0.000 1.097 411 L CA 1.987 56.894 54.840 0.112 0.000 0.764 411 L CB -0.191 41.975 42.059 0.179 0.000 0.900 411 L HN 0.463 nan 8.230 nan 0.000 0.436 412 S N -0.530 115.297 115.700 0.212 0.000 2.356 412 S HA -0.278 4.191 4.470 -0.001 0.000 0.223 412 S C 2.063 176.785 174.600 0.205 0.000 1.032 412 S CA 1.726 60.042 58.200 0.193 0.000 1.005 412 S CB -0.280 62.983 63.200 0.106 0.000 0.867 412 S HN 0.590 nan 8.310 nan 0.000 0.449 413 M N -0.244 119.450 119.600 0.156 0.000 2.117 413 M HA -0.103 4.377 4.480 -0.001 0.000 0.262 413 M C 1.879 178.263 176.300 0.139 0.000 1.065 413 M CA 1.819 57.190 55.300 0.118 0.000 1.114 413 M CB -0.471 32.174 32.600 0.076 0.000 1.361 413 M HN 0.605 nan 8.290 nan 0.000 0.408 414 Y N 0.297 120.594 120.300 -0.004 0.000 2.040 414 Y HA -0.391 4.158 4.550 -0.001 0.000 0.275 414 Y C 1.746 177.576 175.900 -0.116 0.000 1.171 414 Y CA 2.489 60.520 58.100 -0.115 0.000 1.123 414 Y CB -0.721 37.599 38.460 -0.233 0.000 0.963 414 Y HN 0.270 nan 8.280 nan 0.000 0.493 415 Y N 0.544 121.126 120.300 0.470 0.000 2.293 415 Y HA -0.236 4.313 4.550 -0.001 0.000 0.291 415 Y C 2.350 178.453 175.900 0.339 0.000 1.137 415 Y CA 1.303 59.661 58.100 0.431 0.000 1.202 415 Y CB -0.547 38.158 38.460 0.408 0.000 0.990 415 Y HN 0.227 nan 8.280 nan 0.000 0.537 416 D N 0.360 120.952 120.400 0.321 0.000 2.149 416 D HA -0.217 4.422 4.640 -0.001 0.000 0.194 416 D C 2.148 178.526 176.300 0.130 0.000 1.001 416 D CA 1.503 55.614 54.000 0.186 0.000 0.849 416 D CB -0.352 40.508 40.800 0.099 0.000 0.939 416 D HN 0.336 nan 8.370 nan 0.000 0.449 417 I N 0.689 121.274 120.570 0.026 0.000 2.202 417 I HA -0.207 3.963 4.170 -0.001 0.000 0.242 417 I C 2.296 178.330 176.117 -0.139 0.000 1.091 417 I CA 0.625 61.878 61.300 -0.078 0.000 1.368 417 I CB -0.065 37.832 38.000 -0.172 0.000 1.058 417 I HN -0.028 nan 8.210 nan 0.000 0.410 418 I N -0.135 120.279 120.570 -0.260 0.000 2.657 418 I HA -0.279 3.890 4.170 -0.001 0.000 0.261 418 I C 1.536 177.353 176.117 -0.500 0.000 1.212 418 I CA 1.653 62.630 61.300 -0.538 0.000 1.453 418 I CB -0.324 37.179 38.000 -0.828 0.000 1.092 418 I HN 0.197 nan 8.210 nan 0.000 0.452 419 F N -0.192 119.714 119.950 -0.074 0.000 2.706 419 F HA 0.327 4.853 4.527 -0.001 0.000 0.308 419 F C 1.764 177.552 175.800 -0.019 0.000 1.095 419 F CA 0.501 58.492 58.000 -0.016 0.000 1.244 419 F CB 0.463 39.477 39.000 0.025 0.000 1.063 419 F HN 0.095 nan 8.300 nan 0.000 0.582 420 G N 0.764 109.629 108.800 0.109 0.000 2.157 420 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.248 420 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.248 420 G C 1.277 176.211 174.900 0.056 0.000 0.979 420 G CA 0.423 45.553 45.100 0.051 0.000 0.650 420 G HN 0.336 nan 8.290 nan 0.000 0.529 421 R N -0.775 119.774 120.500 0.081 0.000 2.127 421 R HA 0.104 4.443 4.340 -0.001 0.000 0.238 421 R C 1.157 177.470 176.300 0.021 0.000 1.134 421 R CA 0.969 57.093 56.100 0.042 0.000 0.975 421 R CB -0.058 30.263 30.300 0.035 0.000 0.865 421 R HN 0.429 nan 8.270 nan 0.000 0.447 422 L N 1.628 122.863 121.223 0.021 0.000 2.280 422 L HA 0.351 4.690 4.340 -0.001 0.000 0.287 422 L C -0.260 176.604 176.870 -0.009 0.000 1.023 422 L CA -0.479 54.362 54.840 0.002 0.000 0.819 422 L CB 1.614 43.672 42.059 -0.002 0.000 1.212 422 L HN 0.083 nan 8.230 nan 0.000 0.420 423 R N 1.780 122.273 120.500 -0.012 0.000 2.604 423 R HA 0.309 4.648 4.340 -0.001 0.000 0.287 423 R C 1.018 177.306 176.300 -0.021 0.000 0.970 423 R CA -0.748 55.342 56.100 -0.017 0.000 0.946 423 R CB 2.030 32.323 30.300 -0.012 0.000 1.127 423 R HN 0.412 nan 8.270 nan 0.000 0.473 424 V N 1.269 121.168 119.914 -0.025 0.000 2.568 424 V HA -0.240 3.879 4.120 -0.001 0.000 0.253 424 V C 2.161 178.243 176.094 -0.020 0.000 1.072 424 V CA 1.495 63.781 62.300 -0.025 0.000 1.084 424 V CB -0.943 30.864 31.823 -0.026 0.000 0.676 424 V HN 0.606 nan 8.190 nan 0.000 0.469 425 V N -0.076 119.827 119.914 -0.018 0.000 2.221 425 V HA -0.257 3.862 4.120 -0.001 0.000 0.244 425 V C 0.871 176.955 176.094 -0.016 0.000 1.043 425 V CA 1.457 63.747 62.300 -0.016 0.000 0.996 425 V CB -1.027 30.787 31.823 -0.015 0.000 0.636 425 V HN 0.536 nan 8.190 nan 0.000 0.454 426 D N 0.880 121.271 120.400 -0.016 0.000 4.262 426 D HA -0.137 4.503 4.640 -0.001 0.000 0.186 426 D C 1.384 177.674 176.300 -0.016 0.000 1.090 426 D CA 0.406 54.396 54.000 -0.016 0.000 0.711 426 D CB 0.151 40.941 40.800 -0.015 0.000 1.194 426 D HN 0.173 nan 8.370 nan 0.000 0.627 427 R N 2.727 123.218 120.500 -0.015 0.000 2.133 427 R HA -0.183 4.156 4.340 -0.001 0.000 0.247 427 R C 1.700 177.989 176.300 -0.020 0.000 1.151 427 R CA 0.905 56.996 56.100 -0.016 0.000 0.971 427 R CB -0.124 30.169 30.300 -0.012 0.000 0.866 427 R HN 0.555 nan 8.270 nan 0.000 0.447 428 E N 0.655 120.843 120.200 -0.020 0.000 2.082 428 E HA -0.243 4.106 4.350 -0.001 0.000 0.215 428 E C 2.087 178.674 176.600 -0.020 0.000 1.048 428 E CA 1.875 58.262 56.400 -0.022 0.000 0.869 428 E CB -0.495 29.193 29.700 -0.020 0.000 0.773 428 E HN 0.384 nan 8.360 nan 0.000 0.466 429 I N 0.683 121.243 120.570 -0.017 0.000 2.145 429 I HA -0.324 3.845 4.170 -0.001 0.000 0.244 429 I C 2.566 178.674 176.117 -0.016 0.000 1.075 429 I CA 1.115 62.406 61.300 -0.015 0.000 1.332 429 I CB -0.924 37.066 38.000 -0.017 0.000 1.033 429 I HN -0.046 nan 8.210 nan 0.000 0.410 430 V N 0.852 120.755 119.914 -0.019 0.000 2.219 430 V HA -0.341 3.779 4.120 -0.001 0.000 0.248 430 V C 2.639 178.717 176.094 -0.025 0.000 1.053 430 V CA 2.519 64.805 62.300 -0.022 0.000 1.009 430 V CB -0.939 30.868 31.823 -0.026 0.000 0.636 430 V HN 0.417 nan 8.190 nan 0.000 0.445 431 S N -0.678 115.003 115.700 -0.031 0.000 2.389 431 S HA -0.378 4.091 4.470 -0.001 0.000 0.229 431 S C 1.966 176.551 174.600 -0.025 0.000 1.048 431 S CA 2.247 60.426 58.200 -0.035 0.000 1.117 431 S CB -0.574 62.603 63.200 -0.038 0.000 1.020 431 S HN 0.663 nan 8.310 nan 0.000 0.430 432 Q N -0.192 119.597 119.800 -0.020 0.000 2.062 432 Q HA -0.221 4.119 4.340 -0.001 0.000 0.209 432 Q C 2.582 178.581 176.000 -0.001 0.000 0.996 432 Q CA 1.820 57.616 55.803 -0.011 0.000 0.859 432 Q CB -0.721 28.015 28.738 -0.004 0.000 0.920 432 Q HN 0.588 nan 8.270 nan 0.000 0.415 433 C N 0.377 119.677 119.300 -0.001 0.000 2.413 433 C HA -0.143 4.316 4.460 -0.001 0.000 0.277 433 C C 2.607 177.599 174.990 0.003 0.000 1.265 433 C CA 0.539 59.560 59.018 0.005 0.000 1.752 433 C CB -1.045 26.694 27.740 -0.001 0.000 1.998 433 C HN 0.454 nan 8.230 nan 0.000 0.489 434 I N 0.132 120.697 120.570 -0.007 0.000 2.315 434 I HA -0.204 3.966 4.170 -0.001 0.000 0.248 434 I C 2.551 178.667 176.117 -0.001 0.000 1.117 434 I CA 1.414 62.709 61.300 -0.009 0.000 1.404 434 I CB -0.728 37.258 38.000 -0.023 0.000 1.071 434 I HN 0.304 nan 8.210 nan 0.000 0.419 435 Q N 1.029 120.827 119.800 -0.003 0.000 2.123 435 Q HA -0.050 4.289 4.340 -0.001 0.000 0.199 435 Q C 2.247 178.253 176.000 0.010 0.000 0.966 435 Q CA 1.328 57.128 55.803 -0.004 0.000 0.845 435 Q CB -0.107 28.619 28.738 -0.021 0.000 0.907 435 Q HN 0.510 nan 8.270 nan 0.000 0.439 436 I N -0.222 120.361 120.570 0.022 0.000 2.286 436 I HA -0.296 3.873 4.170 -0.001 0.000 0.248 436 I C 2.051 178.194 176.117 0.043 0.000 1.115 436 I CA 1.055 62.381 61.300 0.043 0.000 1.392 436 I CB -0.303 37.730 38.000 0.054 0.000 1.065 436 I HN 0.301 nan 8.210 nan 0.000 0.418 437 M N 0.034 119.652 119.600 0.029 0.000 2.175 437 M HA -0.151 4.328 4.480 -0.001 0.000 0.264 437 M C 1.921 178.237 176.300 0.027 0.000 1.063 437 M CA 1.440 56.756 55.300 0.027 0.000 1.119 437 M CB -0.663 31.945 32.600 0.015 0.000 1.377 437 M HN 0.273 nan 8.290 nan 0.000 0.415 438 N N 1.256 119.969 118.700 0.021 0.000 2.166 438 N HA -0.078 4.662 4.740 -0.001 0.000 0.186 438 N C 0.301 175.829 175.510 0.029 0.000 1.019 438 N CA 0.982 54.045 53.050 0.020 0.000 0.856 438 N CB -0.117 38.377 38.487 0.013 0.000 0.993 438 N HN 0.404 nan 8.380 nan 0.000 0.426 439 R N 0.495 121.016 120.500 0.035 0.000 3.171 439 R HA 0.332 4.672 4.340 -0.001 0.000 0.241 439 R C -0.558 175.783 176.300 0.068 0.000 1.421 439 R CA -0.096 56.036 56.100 0.054 0.000 1.444 439 R CB 0.398 30.732 30.300 0.057 0.000 1.247 439 R HN -0.175 nan 8.270 nan 0.000 0.636 440 S N 2.766 118.502 115.700 0.060 0.000 2.461 440 S HA 0.277 4.747 4.470 -0.001 0.000 0.322 440 S C -0.362 174.274 174.600 0.061 0.000 1.063 440 S CA -0.874 57.362 58.200 0.061 0.000 1.120 440 S CB 0.296 63.524 63.200 0.047 0.000 0.968 440 S HN 0.451 nan 8.310 nan 0.000 0.467 441 N N 3.837 122.579 118.700 0.071 0.000 2.485 441 N HA 0.384 5.123 4.740 -0.001 0.000 0.280 441 N C -2.145 173.395 175.510 0.049 0.000 1.205 441 N CA -1.866 51.218 53.050 0.057 0.000 0.959 441 N CB 0.194 38.717 38.487 0.061 0.000 1.206 441 N HN 0.131 nan 8.380 nan 0.000 0.545 442 P HA -0.013 nan 4.420 nan 0.000 0.215 442 P C 1.291 178.614 177.300 0.039 0.000 1.157 442 P CA 1.040 64.157 63.100 0.028 0.000 0.863 442 P CB 0.185 31.891 31.700 0.010 0.000 0.787 443 L N -1.305 119.933 121.223 0.025 0.000 2.191 443 L HA -0.123 4.216 4.340 -0.001 0.000 0.212 443 L C 2.578 179.502 176.870 0.091 0.000 1.103 443 L CA 1.332 56.187 54.840 0.025 0.000 0.769 443 L CB -1.493 40.549 42.059 -0.027 0.000 0.908 443 L HN -0.059 nan 8.230 nan 0.000 0.438 444 L N -0.480 120.809 121.223 0.109 0.000 2.017 444 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 444 L C 2.529 179.517 176.870 0.198 0.000 1.073 444 L CA 1.639 56.584 54.840 0.175 0.000 0.745 444 L CB -0.154 41.993 42.059 0.146 0.000 0.894 444 L HN 0.285 nan 8.230 nan 0.000 0.432 445 L N -0.264 121.037 121.223 0.130 0.000 2.013 445 L HA -0.289 4.050 4.340 -0.001 0.000 0.212 445 L C 2.569 179.514 176.870 0.125 0.000 1.073 445 L CA 1.623 56.529 54.840 0.111 0.000 0.753 445 L CB -0.671 41.433 42.059 0.075 0.000 0.890 445 L HN 0.330 nan 8.230 nan 0.000 0.432 446 E N -0.415 119.858 120.200 0.122 0.000 2.070 446 E HA -0.283 4.066 4.350 -0.001 0.000 0.197 446 E C 2.063 178.778 176.600 0.191 0.000 1.004 446 E CA 1.780 58.254 56.400 0.123 0.000 0.805 446 E CB -0.276 29.468 29.700 0.074 0.000 0.744 446 E HN 0.381 nan 8.360 nan 0.000 0.451 447 F N 1.491 121.489 119.950 0.080 0.000 2.075 447 F HA -0.211 4.316 4.527 -0.001 0.000 0.297 447 F C 2.282 178.226 175.800 0.240 0.000 1.113 447 F CA 1.335 59.425 58.000 0.149 0.000 1.218 447 F CB -0.221 38.836 39.000 0.095 0.000 0.984 447 F HN -0.080 nan 8.300 nan 0.000 0.472 448 M N -0.076 119.588 119.600 0.107 0.000 2.226 448 M HA -0.333 4.146 4.480 -0.001 0.000 0.257 448 M C 2.282 178.606 176.300 0.041 0.000 1.070 448 M CA 2.272 57.590 55.300 0.029 0.000 1.087 448 M CB -1.419 31.237 32.600 0.093 0.000 1.278 448 M HN 0.268 nan 8.290 nan 0.000 0.426 449 Q N -0.243 119.608 119.800 0.086 0.000 1.948 449 Q HA -0.216 4.124 4.340 -0.001 0.000 0.205 449 Q C 1.947 178.008 176.000 0.102 0.000 0.992 449 Q CA 2.319 58.175 55.803 0.088 0.000 0.849 449 Q CB -0.995 27.798 28.738 0.092 0.000 0.918 449 Q HN 0.510 nan 8.270 nan 0.000 0.421 450 Y N 0.182 120.474 120.300 -0.013 0.000 2.062 450 Y HA -0.387 4.163 4.550 -0.001 0.000 0.276 450 Y C 2.254 178.081 175.900 -0.122 0.000 1.189 450 Y CA 2.525 60.578 58.100 -0.078 0.000 1.130 450 Y CB -0.431 37.894 38.460 -0.226 0.000 0.959 450 Y HN 0.412 nan 8.280 nan 0.000 0.499 451 H N -0.799 118.305 119.070 0.055 0.000 2.421 451 H HA -0.171 4.385 4.556 -0.001 0.000 0.298 451 H C 2.313 177.657 175.328 0.026 0.000 1.087 451 H CA 1.584 57.582 56.048 -0.083 0.000 1.330 451 H CB 0.038 29.567 29.762 -0.388 0.000 1.388 451 H HN 0.366 nan 8.280 nan 0.000 0.526 452 I N 1.338 122.004 120.570 0.159 0.000 2.133 452 I HA -0.203 3.966 4.170 -0.001 0.000 0.238 452 I C 1.827 177.982 176.117 0.063 0.000 1.074 452 I CA 1.137 62.521 61.300 0.140 0.000 1.342 452 I CB -0.885 37.164 38.000 0.082 0.000 1.053 452 I HN 0.101 nan 8.210 nan 0.000 0.404 453 D N -0.041 120.370 120.400 0.019 0.000 2.203 453 D HA -0.221 4.418 4.640 -0.001 0.000 0.199 453 D C 1.815 178.027 176.300 -0.146 0.000 0.997 453 D CA 1.431 55.403 54.000 -0.046 0.000 0.863 453 D CB -0.307 40.482 40.800 -0.018 0.000 0.928 453 D HN 0.537 nan 8.370 nan 0.000 0.458 454 H N -1.454 117.460 119.070 -0.261 0.000 2.549 454 H HA 0.191 4.747 4.556 -0.001 0.000 0.279 454 H C 0.306 175.600 175.328 -0.056 0.000 1.018 454 H CA -0.562 55.351 56.048 -0.225 0.000 1.175 454 H CB 0.131 29.637 29.762 -0.425 0.000 1.485 454 H HN 0.080 nan 8.280 nan 0.000 0.543 455 C N 4.363 123.735 119.300 0.121 0.000 2.592 455 C HA 0.036 4.496 4.460 -0.001 0.000 0.408 455 C C -1.685 173.370 174.990 0.107 0.000 1.436 455 C CA -1.063 58.072 59.018 0.195 0.000 1.595 455 C CB -0.324 27.509 27.740 0.154 0.000 2.487 455 C HN 0.254 nan 8.230 nan 0.000 0.610 456 P HA 0.103 nan 4.420 nan 0.000 0.241 456 P C 1.072 178.270 177.300 -0.170 0.000 1.760 456 P CA 0.282 63.330 63.100 -0.086 0.000 1.081 456 P CB -0.135 31.438 31.700 -0.212 0.000 1.975 457 T N -1.370 113.153 114.554 -0.053 0.000 2.803 457 T HA -0.228 4.122 4.350 -0.001 0.000 0.269 457 T C 1.385 176.033 174.700 -0.086 0.000 1.052 457 T CA 1.047 63.132 62.100 -0.025 0.000 1.136 457 T CB -0.540 68.316 68.868 -0.020 0.000 0.864 457 T HN 0.339 nan 8.240 nan 0.000 0.467 458 E N 1.780 121.904 120.200 -0.127 0.000 2.515 458 E HA -0.107 4.243 4.350 -0.001 0.000 0.201 458 E C 1.805 178.303 176.600 -0.170 0.000 1.071 458 E CA 0.414 56.740 56.400 -0.124 0.000 0.880 458 E CB -0.340 29.293 29.700 -0.111 0.000 0.828 458 E HN 0.568 nan 8.360 nan 0.000 0.540 459 R N 0.265 120.592 120.500 -0.288 0.000 2.156 459 R HA 0.236 4.575 4.340 -0.001 0.000 0.207 459 R C 0.949 177.150 176.300 -0.166 0.000 1.040 459 R CA 0.906 56.793 56.100 -0.356 0.000 1.013 459 R CB 0.598 30.390 30.300 -0.846 0.000 0.931 459 R HN 0.235 nan 8.270 nan 0.000 0.465 460 G N -0.592 108.178 108.800 -0.050 0.000 2.356 460 G HA2 0.059 4.019 3.960 -0.001 0.000 0.294 460 G HA3 0.059 4.019 3.960 -0.001 0.000 0.294 460 G C -0.494 174.455 174.900 0.081 0.000 1.423 460 G CA -0.688 44.448 45.100 0.059 0.000 0.806 460 G HN -0.042 nan 8.290 nan 0.000 0.527 461 E N -0.468 119.756 120.200 0.040 0.000 2.017 461 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 461 E C 2.798 179.396 176.600 -0.003 0.000 0.997 461 E CA 2.250 58.656 56.400 0.011 0.000 0.804 461 E CB -0.374 29.323 29.700 -0.005 0.000 0.757 461 E HN 0.658 nan 8.360 nan 0.000 0.448 462 T N 0.008 114.545 114.554 -0.029 0.000 2.668 462 T HA -0.322 4.028 4.350 -0.001 0.000 0.265 462 T C 1.874 176.467 174.700 -0.179 0.000 1.041 462 T CA 1.940 63.967 62.100 -0.122 0.000 1.160 462 T CB -1.045 67.707 68.868 -0.192 0.000 0.857 462 T HN 0.181 nan 8.240 nan 0.000 0.455 463 Y N 1.847 122.049 120.300 -0.162 0.000 2.145 463 Y HA -0.096 4.453 4.550 -0.001 0.000 0.286 463 Y C 3.141 178.945 175.900 -0.160 0.000 1.145 463 Y CA 1.649 59.639 58.100 -0.183 0.000 1.148 463 Y CB -0.646 37.734 38.460 -0.133 0.000 0.981 463 Y HN 0.235 nan 8.280 nan 0.000 0.507 464 Q N 0.276 120.104 119.800 0.047 0.000 1.967 464 Q HA -0.199 4.140 4.340 -0.001 0.000 0.202 464 Q C 2.205 178.173 176.000 -0.052 0.000 0.985 464 Q CA 1.658 57.456 55.803 -0.008 0.000 0.839 464 Q CB -0.856 27.877 28.738 -0.008 0.000 0.906 464 Q HN 0.402 nan 8.270 nan 0.000 0.423 465 L N 0.337 121.523 121.223 -0.062 0.000 2.103 465 L HA -0.236 4.103 4.340 -0.001 0.000 0.215 465 L C 1.955 178.755 176.870 -0.118 0.000 1.080 465 L CA 2.536 57.328 54.840 -0.080 0.000 0.764 465 L CB -1.441 40.571 42.059 -0.079 0.000 0.890 465 L HN 0.321 nan 8.230 nan 0.000 0.435 466 A N -0.441 122.269 122.820 -0.184 0.000 1.825 466 A HA -0.270 4.050 4.320 -0.001 0.000 0.214 466 A C 2.435 179.899 177.584 -0.199 0.000 1.206 466 A CA 1.889 53.759 52.037 -0.278 0.000 0.609 466 A CB -0.793 17.890 19.000 -0.530 0.000 0.851 466 A HN 0.486 nan 8.150 nan 0.000 0.445 467 K N -0.097 120.209 120.400 -0.157 0.000 2.173 467 K HA -0.237 4.082 4.320 -0.001 0.000 0.207 467 K C 1.874 178.441 176.600 -0.054 0.000 1.046 467 K CA 1.913 58.153 56.287 -0.078 0.000 0.929 467 K CB -0.170 32.307 32.500 -0.038 0.000 0.720 467 K HN 0.678 nan 8.250 nan 0.000 0.453 468 E N 0.432 120.596 120.200 -0.059 0.000 1.999 468 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 468 E C 2.100 178.676 176.600 -0.040 0.000 0.995 468 E CA 1.468 57.842 56.400 -0.043 0.000 0.825 468 E CB -0.228 29.447 29.700 -0.042 0.000 0.777 468 E HN 0.257 nan 8.360 nan 0.000 0.459 469 L N 0.870 122.062 121.223 -0.051 0.000 2.129 469 L HA -0.198 4.142 4.340 -0.001 0.000 0.212 469 L C 2.402 179.253 176.870 -0.032 0.000 1.087 469 L CA 1.195 56.009 54.840 -0.042 0.000 0.757 469 L CB -0.667 41.359 42.059 -0.054 0.000 0.896 469 L HN 0.275 nan 8.230 nan 0.000 0.434 470 G N -1.002 107.774 108.800 -0.041 0.000 2.524 470 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.215 470 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.215 470 G C 1.396 176.299 174.900 0.005 0.000 1.239 470 G CA 0.729 45.822 45.100 -0.012 0.000 0.798 470 G HN 0.263 nan 8.290 nan 0.000 0.557 471 Q N -0.049 119.751 119.800 -0.000 0.000 2.197 471 Q HA -0.164 4.176 4.340 -0.001 0.000 0.207 471 Q C 2.484 178.486 176.000 0.004 0.000 0.984 471 Q CA 2.217 58.023 55.803 0.005 0.000 0.869 471 Q CB -0.467 28.269 28.738 -0.002 0.000 0.906 471 Q HN 0.613 nan 8.270 nan 0.000 0.426 472 Q N -0.261 119.537 119.800 -0.004 0.000 1.975 472 Q HA -0.182 4.158 4.340 -0.001 0.000 0.205 472 Q C 1.900 177.903 176.000 0.003 0.000 0.990 472 Q CA 2.036 57.837 55.803 -0.004 0.000 0.845 472 Q CB -0.819 27.913 28.738 -0.011 0.000 0.913 472 Q HN 0.481 nan 8.270 nan 0.000 0.420 473 L N 0.022 121.249 121.223 0.006 0.000 2.013 473 L HA -0.158 4.181 4.340 -0.001 0.000 0.212 473 L C 2.212 179.096 176.870 0.023 0.000 1.073 473 L CA 1.822 56.671 54.840 0.014 0.000 0.753 473 L CB -0.487 41.583 42.059 0.019 0.000 0.890 473 L HN 0.479 nan 8.230 nan 0.000 0.432 474 I N -0.732 119.854 120.570 0.027 0.000 2.264 474 I HA -0.262 3.907 4.170 -0.001 0.000 0.248 474 I C 2.374 178.508 176.117 0.028 0.000 1.111 474 I CA 1.013 62.334 61.300 0.035 0.000 1.382 474 I CB -0.593 37.430 38.000 0.037 0.000 1.060 474 I HN 0.339 nan 8.210 nan 0.000 0.418 475 E N 1.055 121.267 120.200 0.019 0.000 2.047 475 E HA -0.141 4.208 4.350 -0.001 0.000 0.191 475 E C 1.928 178.537 176.600 0.015 0.000 0.987 475 E CA 1.051 57.460 56.400 0.015 0.000 0.799 475 E CB -0.522 29.184 29.700 0.009 0.000 0.752 475 E HN 0.521 nan 8.360 nan 0.000 0.449 476 N N 1.034 119.741 118.700 0.013 0.000 2.036 476 N HA -0.160 4.579 4.740 -0.001 0.000 0.195 476 N C 2.097 177.617 175.510 0.016 0.000 1.037 476 N CA 1.395 54.452 53.050 0.011 0.000 0.855 476 N CB -1.093 37.399 38.487 0.008 0.000 1.033 476 N HN 0.174 nan 8.380 nan 0.000 0.423 477 C N 1.214 120.528 119.300 0.024 0.000 2.403 477 C HA -0.080 4.380 4.460 -0.001 0.000 0.279 477 C C 2.431 177.438 174.990 0.029 0.000 1.269 477 C CA 0.429 59.466 59.018 0.031 0.000 1.774 477 C CB -0.856 26.910 27.740 0.044 0.000 1.993 477 C HN 0.491 nan 8.230 nan 0.000 0.496 478 K N 0.814 121.229 120.400 0.026 0.000 2.148 478 K HA -0.138 4.181 4.320 -0.001 0.000 0.204 478 K C 1.831 178.442 176.600 0.018 0.000 1.050 478 K CA 1.481 57.782 56.287 0.023 0.000 0.942 478 K CB -0.207 32.306 32.500 0.022 0.000 0.724 478 K HN 0.746 nan 8.250 nan 0.000 0.446 479 E N 0.635 120.844 120.200 0.014 0.000 2.479 479 E HA -0.034 4.315 4.350 -0.001 0.000 0.193 479 E C 1.039 177.645 176.600 0.010 0.000 1.049 479 E CA 0.433 56.839 56.400 0.011 0.000 0.870 479 E CB 0.372 30.076 29.700 0.007 0.000 0.944 479 E HN 0.161 nan 8.360 nan 0.000 0.492 480 V N -1.493 118.429 119.914 0.013 0.000 3.276 480 V HA 0.321 4.440 4.120 -0.001 0.000 0.319 480 V C 0.400 176.504 176.094 0.016 0.000 1.427 480 V CA -0.626 61.682 62.300 0.012 0.000 1.102 480 V CB -0.521 31.309 31.823 0.011 0.000 1.020 480 V HN 0.078 nan 8.190 nan 0.000 0.456 481 L N 2.340 123.574 121.223 0.019 0.000 2.490 481 L HA 0.527 4.866 4.340 -0.001 0.000 0.274 481 L C 1.747 178.627 176.870 0.016 0.000 1.201 481 L CA 1.270 56.122 54.840 0.020 0.000 0.869 481 L CB 0.096 42.167 42.059 0.021 0.000 1.123 481 L HN 0.523 nan 8.230 nan 0.000 0.484 482 G N 2.196 111.006 108.800 0.017 0.000 2.507 482 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.240 482 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.240 482 G C 0.478 175.385 174.900 0.011 0.000 1.119 482 G CA -0.043 45.065 45.100 0.013 0.000 0.664 482 G HN 0.579 nan 8.290 nan 0.000 0.516 483 K N 2.229 122.635 120.400 0.010 0.000 2.412 483 K HA 0.341 4.660 4.320 -0.001 0.000 0.284 483 K C -2.223 174.381 176.600 0.006 0.000 1.046 483 K CA -1.291 55.000 56.287 0.005 0.000 0.999 483 K CB 0.520 33.023 32.500 0.004 0.000 0.941 483 K HN 0.132 nan 8.250 nan 0.000 0.474 484 P HA -0.096 nan 4.420 nan 0.000 0.263 484 P C -2.404 174.897 177.300 0.002 0.000 1.162 484 P CA -0.429 62.672 63.100 0.001 0.000 0.758 484 P CB -0.143 31.551 31.700 -0.010 0.000 0.773 485 P HA 0.254 nan 4.420 nan 0.000 0.276 485 P C -0.756 176.551 177.300 0.012 0.000 1.252 485 P CA -0.033 63.077 63.100 0.017 0.000 0.802 485 P CB 0.717 32.436 31.700 0.030 0.000 1.035 486 V N 1.462 121.387 119.914 0.018 0.000 2.841 486 V HA 0.229 4.348 4.120 -0.001 0.000 0.310 486 V C -1.233 174.907 176.094 0.076 0.000 1.090 486 V CA -0.760 61.548 62.300 0.013 0.000 0.930 486 V CB 1.951 33.757 31.823 -0.028 0.000 1.014 486 V HN 0.410 nan 8.190 nan 0.000 0.425 487 Y N 5.388 125.672 120.300 -0.027 0.000 2.486 487 Y HA 0.515 5.065 4.550 -0.001 0.000 0.348 487 Y C -0.048 175.846 175.900 -0.011 0.000 1.000 487 Y CA -0.419 57.688 58.100 0.012 0.000 1.253 487 Y CB 0.342 38.862 38.460 0.101 0.000 1.140 487 Y HN 0.576 nan 8.280 nan 0.000 0.526 488 K N 5.925 126.116 120.400 -0.348 0.000 2.613 488 K HA 0.148 4.468 4.320 -0.001 0.000 0.248 488 K C -1.617 174.687 176.600 -0.494 0.000 0.959 488 K CA -0.605 55.394 56.287 -0.480 0.000 0.855 488 K CB 0.761 33.123 32.500 -0.230 0.000 1.143 488 K HN 0.649 nan 8.250 nan 0.000 0.437 489 D N 4.321 124.250 120.400 -0.785 0.000 2.374 489 D HA 0.078 4.717 4.640 -0.001 0.000 0.240 489 D C 0.605 176.516 176.300 -0.648 0.000 1.229 489 D CA -0.095 53.434 54.000 -0.785 0.000 0.895 489 D CB 1.151 41.133 40.800 -1.365 0.000 1.046 489 D HN 0.263 nan 8.370 nan 0.000 0.498 490 V N 2.603 122.326 119.914 -0.317 0.000 3.649 490 V HA -0.024 4.096 4.120 -0.001 0.000 0.275 490 V C 1.311 177.375 176.094 -0.050 0.000 1.281 490 V CA -0.083 62.129 62.300 -0.146 0.000 1.143 490 V CB -0.826 30.941 31.823 -0.092 0.000 0.892 490 V HN 0.521 nan 8.190 nan 0.000 0.441 491 S N 1.296 116.957 115.700 -0.066 0.000 2.580 491 S HA 0.378 4.847 4.470 -0.001 0.000 0.266 491 S C -0.061 174.632 174.600 0.155 0.000 1.354 491 S CA -0.338 57.894 58.200 0.054 0.000 1.008 491 S CB 0.399 63.643 63.200 0.074 0.000 0.898 491 S HN 0.340 nan 8.310 nan 0.000 0.555 492 I N 1.056 121.672 120.570 0.078 0.000 2.308 492 I HA 0.304 4.473 4.170 -0.001 0.000 0.293 492 I C -2.398 173.718 176.117 -0.002 0.000 1.078 492 I CA -2.265 59.055 61.300 0.034 0.000 1.292 492 I CB -0.255 37.741 38.000 -0.007 0.000 1.423 492 I HN 0.357 nan 8.210 nan 0.000 0.493 493 P HA -0.083 nan 4.420 nan 0.000 0.261 493 P C -0.115 177.100 177.300 -0.141 0.000 1.165 493 P CA 0.529 63.500 63.100 -0.215 0.000 0.759 493 P CB 0.454 31.976 31.700 -0.296 0.000 0.772 494 T N 1.754 116.229 114.554 -0.132 0.000 2.907 494 T HA 0.727 5.076 4.350 -0.001 0.000 0.292 494 T C -0.187 174.448 174.700 -0.108 0.000 1.043 494 T CA -0.564 61.476 62.100 -0.101 0.000 1.003 494 T CB 1.050 69.876 68.868 -0.070 0.000 1.084 494 T HN 0.341 nan 8.240 nan 0.000 0.483 495 G N 2.642 111.377 108.800 -0.107 0.000 2.788 495 G HA2 0.800 4.759 3.960 -0.001 0.000 0.293 495 G HA3 0.800 4.759 3.960 -0.001 0.000 0.293 495 G C -3.147 171.696 174.900 -0.094 0.000 1.305 495 G CA -1.697 43.340 45.100 -0.105 0.000 1.005 495 G HN 0.605 nan 8.290 nan 0.000 0.496 496 P HA 0.334 nan 4.420 nan 0.000 0.292 496 P C -1.185 176.131 177.300 0.027 0.000 1.283 496 P CA -0.448 62.691 63.100 0.065 0.000 0.835 496 P CB 1.795 33.591 31.700 0.160 0.000 1.017 497 Q N 1.659 121.441 119.800 -0.030 0.000 2.709 497 Q HA 0.276 4.615 4.340 -0.001 0.000 0.232 497 Q C -1.154 174.906 176.000 0.099 0.000 0.856 497 Q CA -0.341 55.464 55.803 0.003 0.000 0.788 497 Q CB 1.181 29.871 28.738 -0.080 0.000 1.386 497 Q HN 0.556 nan 8.270 nan 0.000 0.453 498 T N 0.350 115.037 114.554 0.221 0.000 2.845 498 T HA 0.641 4.990 4.350 -0.001 0.000 0.288 498 T C 0.170 174.932 174.700 0.103 0.000 0.980 498 T CA -0.293 61.941 62.100 0.223 0.000 1.071 498 T CB 1.554 70.537 68.868 0.191 0.000 0.941 498 T HN 0.505 nan 8.240 nan 0.000 0.487 499 T N 0.731 115.336 114.554 0.085 0.000 2.893 499 T HA 0.620 4.969 4.350 -0.001 0.000 0.293 499 T C -0.592 174.136 174.700 0.047 0.000 1.027 499 T CA -1.070 61.060 62.100 0.049 0.000 0.988 499 T CB 0.992 69.878 68.868 0.030 0.000 1.043 499 T HN 0.690 nan 8.240 nan 0.000 0.461 500 I N 3.108 123.699 120.570 0.036 0.000 2.371 500 I HA 0.277 4.447 4.170 -0.001 0.000 0.282 500 I C 0.288 176.420 176.117 0.025 0.000 1.031 500 I CA -0.813 60.506 61.300 0.032 0.000 1.180 500 I CB 0.878 38.896 38.000 0.030 0.000 1.336 500 I HN 0.785 nan 8.210 nan 0.000 0.467 501 D N 4.806 125.221 120.400 0.025 0.000 2.474 501 D HA -0.028 4.612 4.640 -0.001 0.000 0.232 501 D C 1.299 177.610 176.300 0.019 0.000 1.177 501 D CA 0.452 54.464 54.000 0.020 0.000 0.876 501 D CB 1.313 42.125 40.800 0.021 0.000 1.208 501 D HN 0.642 nan 8.370 nan 0.000 0.464 502 A N 3.839 126.669 122.820 0.017 0.000 2.070 502 A HA -0.138 4.181 4.320 -0.001 0.000 0.220 502 A C 2.037 179.632 177.584 0.017 0.000 1.159 502 A CA 0.981 53.028 52.037 0.016 0.000 0.656 502 A CB -0.259 18.749 19.000 0.014 0.000 0.800 502 A HN 0.643 nan 8.150 nan 0.000 0.453 503 R N -1.438 119.072 120.500 0.018 0.000 2.313 503 R HA 0.116 4.455 4.340 -0.001 0.000 0.199 503 R C 1.362 177.673 176.300 0.020 0.000 0.958 503 R CA 0.622 56.733 56.100 0.019 0.000 1.047 503 R CB -0.131 30.180 30.300 0.019 0.000 0.955 503 R HN 0.699 nan 8.270 nan 0.000 0.481 504 G N 0.790 109.602 108.800 0.020 0.000 2.195 504 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.246 504 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.246 504 G C -0.050 174.864 174.900 0.024 0.000 0.984 504 G CA -0.370 44.742 45.100 0.022 0.000 0.633 504 G HN 0.279 nan 8.290 nan 0.000 0.525 505 N N 0.830 119.545 118.700 0.025 0.000 2.359 505 N HA 0.223 4.962 4.740 -0.001 0.000 0.261 505 N C 0.404 175.934 175.510 0.033 0.000 1.267 505 N CA 0.653 53.719 53.050 0.028 0.000 0.864 505 N CB 0.382 38.885 38.487 0.026 0.000 1.063 505 N HN 0.439 nan 8.380 nan 0.000 0.474 506 I N 2.499 123.092 120.570 0.038 0.000 2.330 506 I HA 0.140 4.309 4.170 -0.001 0.000 0.289 506 I C 0.476 176.631 176.117 0.063 0.000 1.001 506 I CA -0.589 60.740 61.300 0.048 0.000 1.193 506 I CB 1.010 39.037 38.000 0.045 0.000 1.345 506 I HN 0.445 nan 8.210 nan 0.000 0.461 507 Q N 6.481 126.326 119.800 0.075 0.000 2.416 507 Q HA 0.532 4.872 4.340 -0.001 0.000 0.279 507 Q C -1.691 174.405 176.000 0.160 0.000 1.101 507 Q CA -0.899 54.962 55.803 0.096 0.000 0.830 507 Q CB 2.724 31.497 28.738 0.057 0.000 1.402 507 Q HN 0.550 nan 8.270 nan 0.000 0.445 508 Y N 0.705 121.013 120.300 0.014 0.000 2.317 508 Y HA 0.352 4.902 4.550 -0.001 0.000 0.325 508 Y C -1.405 174.501 175.900 0.009 0.000 1.066 508 Y CA -0.292 57.816 58.100 0.013 0.000 1.203 508 Y CB 1.707 40.181 38.460 0.023 0.000 1.127 508 Y HN 0.821 nan 8.280 nan 0.000 0.451 509 Q N 2.947 122.506 119.800 -0.402 0.000 2.166 509 Q HA 0.471 4.810 4.340 -0.001 0.000 0.226 509 Q C -0.896 174.717 176.000 -0.645 0.000 0.989 509 Q CA -1.148 54.414 55.803 -0.403 0.000 0.966 509 Q CB 1.469 30.086 28.738 -0.202 0.000 1.173 509 Q HN 0.565 nan 8.270 nan 0.000 0.509 510 E N 1.141 121.114 120.200 -0.378 0.000 2.207 510 E HA 0.285 4.634 4.350 -0.001 0.000 0.250 510 E C -1.365 175.129 176.600 -0.176 0.000 0.890 510 E CA -0.267 55.954 56.400 -0.298 0.000 0.749 510 E CB 1.670 31.249 29.700 -0.202 0.000 1.193 510 E HN 0.239 nan 8.360 nan 0.000 0.423 511 V N 3.947 123.765 119.914 -0.159 0.000 2.481 511 V HA 0.239 4.358 4.120 -0.001 0.000 0.286 511 V C -2.138 173.898 176.094 -0.097 0.000 1.042 511 V CA -2.243 59.990 62.300 -0.113 0.000 0.928 511 V CB 1.017 32.780 31.823 -0.100 0.000 0.986 511 V HN 0.485 nan 8.190 nan 0.000 0.462 512 P HA 0.015 nan 4.420 nan 0.000 0.261 512 P C -0.066 177.181 177.300 -0.088 0.000 1.173 512 P CA 0.256 63.307 63.100 -0.081 0.000 0.760 512 P CB 0.247 31.905 31.700 -0.070 0.000 0.783 513 R N 3.139 123.579 120.500 -0.100 0.000 2.458 513 R HA 0.075 4.415 4.340 -0.001 0.000 0.303 513 R C 1.444 177.685 176.300 -0.099 0.000 1.013 513 R CA 0.129 56.167 56.100 -0.103 0.000 1.026 513 R CB 0.271 30.502 30.300 -0.114 0.000 0.948 513 R HN 0.508 nan 8.270 nan 0.000 0.417 514 A N 2.786 125.554 122.820 -0.087 0.000 2.019 514 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 514 A C 1.859 179.389 177.584 -0.091 0.000 1.164 514 A CA 1.436 53.425 52.037 -0.080 0.000 0.644 514 A CB 0.073 19.035 19.000 -0.064 0.000 0.805 514 A HN 0.676 nan 8.150 nan 0.000 0.449 515 S N -1.193 114.451 115.700 -0.093 0.000 2.441 515 S HA 0.462 4.931 4.470 -0.001 0.000 0.224 515 S C 0.903 175.413 174.600 -0.150 0.000 1.043 515 S CA 0.426 58.570 58.200 -0.092 0.000 0.948 515 S CB 0.036 63.201 63.200 -0.057 0.000 0.810 515 S HN 0.747 nan 8.310 nan 0.000 0.504 516 A N 0.748 123.473 122.820 -0.158 0.000 2.337 516 A HA 0.765 5.085 4.320 -0.001 0.000 0.329 516 A C 0.625 178.059 177.584 -0.249 0.000 1.146 516 A CA -0.583 51.322 52.037 -0.220 0.000 0.800 516 A CB 1.145 20.122 19.000 -0.038 0.000 1.220 516 A HN 0.105 nan 8.150 nan 0.000 0.472 517 R N 0.236 120.529 120.500 -0.345 0.000 2.320 517 R HA 0.221 4.560 4.340 -0.001 0.000 0.193 517 R C 0.128 176.428 176.300 -0.000 0.000 0.885 517 R CA 0.481 56.479 56.100 -0.171 0.000 1.085 517 R CB 0.140 30.317 30.300 -0.206 0.000 1.253 517 R HN 0.630 nan 8.270 nan 0.000 0.636 518 K N 0.054 120.555 120.400 0.169 0.000 2.177 518 K HA 0.258 4.577 4.320 -0.001 0.000 0.238 518 K C 1.046 177.782 176.600 0.227 0.000 1.015 518 K CA -0.423 56.002 56.287 0.230 0.000 0.922 518 K CB 0.577 33.224 32.500 0.245 0.000 1.127 518 K HN -0.125 nan 8.250 nan 0.000 0.469 519 F N 1.462 121.402 119.950 -0.016 0.000 2.325 519 F HA -0.099 4.427 4.527 -0.001 0.000 0.299 519 F C 2.061 177.907 175.800 0.076 0.000 1.090 519 F CA 1.062 59.027 58.000 -0.059 0.000 1.392 519 F CB 0.329 39.106 39.000 -0.372 0.000 1.053 519 F HN 0.615 nan 8.300 nan 0.000 0.521 520 E N -0.699 119.606 120.200 0.175 0.000 2.130 520 E HA -0.279 4.070 4.350 -0.001 0.000 0.196 520 E C 1.698 178.304 176.600 0.009 0.000 0.998 520 E CA 1.797 58.237 56.400 0.067 0.000 0.806 520 E CB -0.443 29.228 29.700 -0.048 0.000 0.738 520 E HN 0.599 nan 8.360 nan 0.000 0.459 521 H N -0.549 118.553 119.070 0.053 0.000 2.293 521 H HA -0.162 4.394 4.556 -0.001 0.000 0.300 521 H C 1.897 177.237 175.328 0.020 0.000 1.082 521 H CA 1.864 57.925 56.048 0.022 0.000 1.308 521 H CB -0.400 29.364 29.762 0.002 0.000 1.375 521 H HN 0.219 nan 8.280 nan 0.000 0.495 522 Y N 1.435 121.739 120.300 0.005 0.000 2.069 522 Y HA -0.318 4.232 4.550 -0.001 0.000 0.278 522 Y C 2.295 178.216 175.900 0.035 0.000 1.175 522 Y CA 1.696 59.747 58.100 -0.083 0.000 1.134 522 Y CB -0.819 37.438 38.460 -0.338 0.000 0.965 522 Y HN -0.003 nan 8.280 nan 0.000 0.498 523 V N 1.012 120.919 119.914 -0.012 0.000 2.252 523 V HA -0.384 3.736 4.120 -0.001 0.000 0.249 523 V C 2.363 178.401 176.094 -0.093 0.000 1.056 523 V CA 2.499 64.773 62.300 -0.043 0.000 1.022 523 V CB -0.862 31.057 31.823 0.159 0.000 0.641 523 V HN 0.365 nan 8.190 nan 0.000 0.445 524 K N -0.300 120.078 120.400 -0.037 0.000 1.969 524 K HA -0.230 4.089 4.320 -0.001 0.000 0.216 524 K C 2.337 178.926 176.600 -0.019 0.000 1.048 524 K CA 1.894 58.167 56.287 -0.023 0.000 0.948 524 K CB -0.437 32.052 32.500 -0.018 0.000 0.726 524 K HN 0.467 nan 8.250 nan 0.000 0.442 525 Q N -0.143 119.648 119.800 -0.015 0.000 2.182 525 Q HA -0.265 4.074 4.340 -0.001 0.000 0.213 525 Q C 2.171 178.177 176.000 0.010 0.000 1.000 525 Q CA 1.690 57.489 55.803 -0.006 0.000 0.889 525 Q CB -0.201 28.521 28.738 -0.027 0.000 0.932 525 Q HN 0.338 nan 8.270 nan 0.000 0.415 526 M N -0.444 119.098 119.600 -0.097 0.000 2.064 526 M HA -0.113 4.367 4.480 -0.001 0.000 0.260 526 M C 2.384 178.774 176.300 0.150 0.000 1.073 526 M CA 1.705 57.008 55.300 0.004 0.000 1.124 526 M CB -1.542 30.923 32.600 -0.226 0.000 1.326 526 M HN 0.235 nan 8.290 nan 0.000 0.410 527 A N -0.044 122.800 122.820 0.041 0.000 1.917 527 A HA -0.212 4.108 4.320 -0.001 0.000 0.219 527 A C 2.077 179.702 177.584 0.069 0.000 1.182 527 A CA 1.960 54.029 52.037 0.053 0.000 0.633 527 A CB -0.851 18.159 19.000 0.016 0.000 0.819 527 A HN 0.601 nan 8.150 nan 0.000 0.448 528 E N -0.951 119.288 120.200 0.065 0.000 2.037 528 E HA 0.092 4.442 4.350 -0.001 0.000 0.214 528 E C 1.173 177.803 176.600 0.050 0.000 1.041 528 E CA 1.100 57.536 56.400 0.059 0.000 0.872 528 E CB -0.264 29.473 29.700 0.062 0.000 0.785 528 E HN 0.792 nan 8.360 nan 0.000 0.476 529 G N -1.428 107.421 108.800 0.081 0.000 2.347 529 G HA2 0.308 4.267 3.960 -0.001 0.000 0.341 529 G HA3 0.308 4.267 3.960 -0.001 0.000 0.341 529 G C -0.945 173.924 174.900 -0.052 0.000 1.287 529 G CA -0.629 44.414 45.100 -0.095 0.000 0.984 529 G HN 0.511 nan 8.290 nan 0.000 0.526 530 G N -0.872 107.713 108.800 -0.358 0.000 2.591 530 G HA2 0.696 4.656 3.960 -0.001 0.000 0.306 530 G HA3 0.696 4.656 3.960 -0.001 0.000 0.306 530 G C -1.518 173.261 174.900 -0.202 0.000 1.334 530 G CA -0.813 44.202 45.100 -0.142 0.000 0.981 530 G HN 0.424 nan 8.290 nan 0.000 0.491 531 P HA -0.152 nan 4.420 nan 0.000 0.216 531 P C 1.994 179.197 177.300 -0.162 0.000 1.150 531 P CA 0.385 63.428 63.100 -0.095 0.000 0.843 531 P CB 0.308 31.982 31.700 -0.043 0.000 0.787 532 I N -0.797 119.653 120.570 -0.200 0.000 2.335 532 I HA -0.188 3.981 4.170 -0.001 0.000 0.251 532 I C 1.348 177.023 176.117 -0.737 0.000 1.129 532 I CA 1.460 62.583 61.300 -0.296 0.000 1.402 532 I CB -0.359 37.521 38.000 -0.200 0.000 1.069 532 I HN -0.151 nan 8.210 nan 0.000 0.424 533 S N 1.021 116.202 115.700 -0.866 0.000 3.513 533 S HA 0.184 4.654 4.470 -0.001 0.000 0.209 533 S C 0.426 174.819 174.600 -0.344 0.000 1.446 533 S CA -0.562 57.049 58.200 -0.981 0.000 1.150 533 S CB -0.715 61.973 63.200 -0.854 0.000 1.266 533 S HN 0.405 nan 8.310 nan 0.000 0.502 534 Q N 1.088 120.776 119.800 -0.187 0.000 2.492 534 Q HA 0.196 4.536 4.340 -0.001 0.000 0.238 534 Q C -0.537 175.563 176.000 0.167 0.000 1.045 534 Q CA -0.065 55.750 55.803 0.021 0.000 0.934 534 Q CB 0.378 29.137 28.738 0.035 0.000 1.276 534 Q HN 0.550 nan 8.270 nan 0.000 0.521 535 Y N 0.274 120.580 120.300 0.009 0.000 2.550 535 Y HA -0.030 4.519 4.550 -0.001 0.000 0.343 535 Y C 0.692 176.632 175.900 0.066 0.000 1.245 535 Y CA 0.214 58.342 58.100 0.046 0.000 1.462 535 Y CB 0.705 39.179 38.460 0.024 0.000 1.340 535 Y HN 0.528 nan 8.280 nan 0.000 0.604 536 S N 1.983 117.723 115.700 0.066 0.000 2.652 536 S HA 0.195 4.664 4.470 -0.001 0.000 0.270 536 S C 0.997 175.639 174.600 0.071 0.000 1.243 536 S CA -0.723 57.511 58.200 0.056 0.000 0.999 536 S CB 0.586 63.779 63.200 -0.011 0.000 0.973 536 S HN 0.735 nan 8.310 nan 0.000 0.544 537 N N 2.172 120.903 118.700 0.052 0.000 2.080 537 N HA -0.122 4.617 4.740 -0.001 0.000 0.189 537 N C 1.884 177.414 175.510 0.033 0.000 1.036 537 N CA 1.283 54.362 53.050 0.049 0.000 0.846 537 N CB -0.646 37.859 38.487 0.030 0.000 1.015 537 N HN 0.727 nan 8.380 nan 0.000 0.423 538 R N 1.093 121.594 120.500 0.002 0.000 2.091 538 R HA -0.122 4.217 4.340 -0.001 0.000 0.238 538 R C 2.212 178.498 176.300 -0.024 0.000 1.136 538 R CA 2.131 58.219 56.100 -0.020 0.000 0.959 538 R CB -0.458 29.815 30.300 -0.044 0.000 0.856 538 R HN 0.377 nan 8.270 nan 0.000 0.437 539 T N -1.535 112.992 114.554 -0.046 0.000 2.915 539 T HA -0.052 4.297 4.350 -0.001 0.000 0.269 539 T C 1.750 176.455 174.700 0.009 0.000 1.071 539 T CA 1.001 63.035 62.100 -0.110 0.000 1.132 539 T CB -0.095 68.591 68.868 -0.304 0.000 0.878 539 T HN 0.246 nan 8.240 nan 0.000 0.479 540 K N 0.619 121.103 120.400 0.139 0.000 1.991 540 K HA 0.034 4.354 4.320 -0.001 0.000 0.207 540 K C 2.416 179.078 176.600 0.104 0.000 1.045 540 K CA 1.249 57.661 56.287 0.209 0.000 0.937 540 K CB -0.613 32.002 32.500 0.191 0.000 0.720 540 K HN 0.233 nan 8.250 nan 0.000 0.438 541 V N 2.175 122.129 119.914 0.067 0.000 2.363 541 V HA -0.333 3.786 4.120 -0.001 0.000 0.254 541 V C 2.314 178.444 176.094 0.059 0.000 1.074 541 V CA 1.879 64.210 62.300 0.052 0.000 1.069 541 V CB -0.625 31.214 31.823 0.026 0.000 0.659 541 V HN 0.401 nan 8.190 nan 0.000 0.455 542 Q N -0.262 119.561 119.800 0.039 0.000 1.969 542 Q HA -0.132 4.207 4.340 -0.001 0.000 0.198 542 Q C 2.273 178.312 176.000 0.065 0.000 0.978 542 Q CA 1.443 57.267 55.803 0.035 0.000 0.830 542 Q CB -0.332 28.395 28.738 -0.019 0.000 0.896 542 Q HN 0.580 nan 8.270 nan 0.000 0.431 543 N N 1.005 119.733 118.700 0.045 0.000 2.258 543 N HA -0.152 4.587 4.740 -0.001 0.000 0.187 543 N C 1.009 176.558 175.510 0.066 0.000 1.012 543 N CA 1.240 54.319 53.050 0.047 0.000 0.870 543 N CB -0.206 38.318 38.487 0.061 0.000 0.977 543 N HN 0.257 nan 8.380 nan 0.000 0.434 544 D N 0.676 121.123 120.400 0.078 0.000 2.107 544 D HA 0.013 4.653 4.640 -0.001 0.000 0.204 544 D C 2.234 178.594 176.300 0.101 0.000 0.978 544 D CA 0.374 54.417 54.000 0.072 0.000 0.852 544 D CB -0.574 40.265 40.800 0.064 0.000 1.008 544 D HN 0.114 nan 8.370 nan 0.000 0.458 545 L N 0.786 122.096 121.223 0.146 0.000 2.151 545 L HA -0.250 4.089 4.340 -0.001 0.000 0.215 545 L C 2.581 179.573 176.870 0.204 0.000 1.084 545 L CA 1.125 56.105 54.840 0.234 0.000 0.764 545 L CB -0.347 41.922 42.059 0.350 0.000 0.891 545 L HN 0.022 nan 8.230 nan 0.000 0.435 546 R N 0.228 120.834 120.500 0.178 0.000 2.113 546 R HA -0.169 4.170 4.340 -0.001 0.000 0.231 546 R C 2.491 178.839 176.300 0.079 0.000 1.129 546 R CA 2.158 58.327 56.100 0.116 0.000 0.915 546 R CB -1.076 29.274 30.300 0.082 0.000 0.837 546 R HN 0.497 nan 8.270 nan 0.000 0.430 547 S N 0.504 116.242 115.700 0.064 0.000 2.440 547 S HA -0.085 4.384 4.470 -0.001 0.000 0.238 547 S C 2.238 176.855 174.600 0.028 0.000 1.010 547 S CA 1.269 59.495 58.200 0.043 0.000 0.972 547 S CB -0.571 62.644 63.200 0.024 0.000 0.774 547 S HN 0.064 nan 8.310 nan 0.000 0.501 548 V N 0.843 120.785 119.914 0.047 0.000 2.295 548 V HA -0.199 3.921 4.120 -0.001 0.000 0.246 548 V C 2.127 178.205 176.094 -0.027 0.000 1.049 548 V CA 2.046 64.358 62.300 0.019 0.000 1.024 548 V CB -0.927 30.962 31.823 0.111 0.000 0.648 548 V HN 0.602 nan 8.190 nan 0.000 0.447 549 Y N 1.089 121.349 120.300 -0.068 0.000 2.114 549 Y HA -0.249 4.300 4.550 -0.001 0.000 0.284 549 Y C 2.615 178.451 175.900 -0.105 0.000 1.143 549 Y CA 1.954 60.025 58.100 -0.048 0.000 1.135 549 Y CB -0.117 38.157 38.460 -0.310 0.000 0.980 549 Y HN 0.114 nan 8.280 nan 0.000 0.499 550 K N 0.158 120.688 120.400 0.216 0.000 2.152 550 K HA -0.215 4.105 4.320 -0.001 0.000 0.206 550 K C 2.024 178.603 176.600 -0.036 0.000 1.048 550 K CA 1.508 57.870 56.287 0.125 0.000 0.933 550 K CB -0.241 32.311 32.500 0.087 0.000 0.721 550 K HN 0.415 nan 8.250 nan 0.000 0.447 551 L N 0.743 121.911 121.223 -0.090 0.000 1.982 551 L HA -0.139 4.200 4.340 -0.001 0.000 0.206 551 L C 2.285 179.006 176.870 -0.247 0.000 1.078 551 L CA 1.086 55.839 54.840 -0.145 0.000 0.749 551 L CB -0.287 41.693 42.059 -0.132 0.000 0.894 551 L HN 0.150 nan 8.230 nan 0.000 0.436 552 I N -0.240 120.119 120.570 -0.352 0.000 2.182 552 I HA -0.412 3.758 4.170 -0.001 0.000 0.248 552 I C 2.722 178.548 176.117 -0.486 0.000 1.073 552 I CA 1.362 62.367 61.300 -0.492 0.000 1.335 552 I CB -0.380 37.109 38.000 -0.851 0.000 1.031 552 I HN 0.354 nan 8.210 nan 0.000 0.420 553 R N 1.754 121.952 120.500 -0.503 0.000 2.060 553 R HA -0.013 4.326 4.340 -0.001 0.000 0.225 553 R C 1.506 177.489 176.300 -0.530 0.000 1.155 553 R CA 1.496 57.303 56.100 -0.488 0.000 0.930 553 R CB -0.455 29.599 30.300 -0.409 0.000 0.829 553 R HN 0.155 nan 8.270 nan 0.000 0.433 554 R N 1.232 121.538 120.500 -0.323 0.000 4.624 554 R HA 0.078 4.417 4.340 -0.001 0.000 0.214 554 R C -0.298 175.831 176.300 -0.285 0.000 2.026 554 R CA 0.304 56.239 56.100 -0.275 0.000 1.676 554 R CB -0.210 30.040 30.300 -0.083 0.000 1.291 554 R HN 0.364 nan 8.270 nan 0.000 0.739 555 Q N 0.381 119.920 119.800 -0.436 0.000 3.891 555 Q HA 0.120 4.459 4.340 -0.001 0.000 0.190 555 Q C -1.278 174.553 176.000 -0.281 0.000 0.886 555 Q CA -0.320 55.322 55.803 -0.269 0.000 0.747 555 Q CB 1.094 29.718 28.738 -0.190 0.000 1.476 555 Q HN 0.376 nan 8.270 nan 0.000 0.452 556 H N 3.001 122.034 119.070 -0.062 0.000 3.004 556 H HA 0.208 4.763 4.556 -0.001 0.000 0.267 556 H C 0.777 176.076 175.328 -0.049 0.000 1.165 556 H CA 0.431 56.445 56.048 -0.056 0.000 1.450 556 H CB 0.383 30.121 29.762 -0.039 0.000 1.488 556 H HN 0.566 nan 8.280 nan 0.000 0.478 557 R N 1.588 122.103 120.500 0.025 0.000 2.371 557 R HA 0.148 4.487 4.340 -0.001 0.000 0.261 557 R C -0.514 175.777 176.300 -0.015 0.000 0.768 557 R CA -0.249 55.854 56.100 0.005 0.000 0.992 557 R CB 0.274 30.567 30.300 -0.012 0.000 1.687 557 R HN 0.144 nan 8.270 nan 0.000 0.463 558 L N 2.775 123.980 121.223 -0.030 0.000 2.357 558 L HA 0.384 4.723 4.340 -0.001 0.000 0.273 558 L C 0.683 177.546 176.870 -0.012 0.000 1.080 558 L CA -0.825 53.991 54.840 -0.039 0.000 0.803 558 L CB 1.620 43.630 42.059 -0.081 0.000 1.174 558 L HN 0.115 nan 8.230 nan 0.000 0.443 559 S N 0.581 116.276 115.700 -0.008 0.000 2.560 559 S HA 0.068 4.537 4.470 -0.001 0.000 0.284 559 S C 0.631 175.238 174.600 0.013 0.000 1.327 559 S CA -0.530 57.672 58.200 0.004 0.000 1.055 559 S CB 0.527 63.729 63.200 0.004 0.000 0.868 559 S HN 0.608 nan 8.310 nan 0.000 0.506 560 K N 1.580 121.993 120.400 0.021 0.000 2.574 560 K HA 0.005 4.325 4.320 -0.001 0.000 0.193 560 K C 1.698 178.317 176.600 0.032 0.000 1.035 560 K CA 0.591 56.897 56.287 0.031 0.000 0.982 560 K CB -0.183 32.335 32.500 0.030 0.000 0.795 560 K HN 0.566 nan 8.250 nan 0.000 0.491 561 S N 0.110 115.825 115.700 0.025 0.000 2.428 561 S HA -0.045 4.425 4.470 -0.001 0.000 0.230 561 S C 1.720 176.341 174.600 0.036 0.000 1.014 561 S CA 1.009 59.225 58.200 0.027 0.000 0.957 561 S CB 0.150 63.362 63.200 0.019 0.000 0.784 561 S HN 0.246 nan 8.310 nan 0.000 0.499 562 S N 1.117 116.837 115.700 0.033 0.000 2.460 562 S HA 0.090 4.560 4.470 -0.001 0.000 0.226 562 S C 1.851 176.494 174.600 0.072 0.000 1.057 562 S CA -0.042 58.184 58.200 0.044 0.000 0.948 562 S CB -0.191 63.017 63.200 0.013 0.000 0.822 562 S HN 0.425 nan 8.310 nan 0.000 0.512 563 Q N 1.206 121.032 119.800 0.042 0.000 2.030 563 Q HA -0.076 4.263 4.340 -0.001 0.000 0.204 563 Q C 2.143 178.213 176.000 0.116 0.000 0.986 563 Q CA 1.083 56.916 55.803 0.050 0.000 0.843 563 Q CB -0.401 28.345 28.738 0.013 0.000 0.904 563 Q HN 0.320 nan 8.270 nan 0.000 0.420 564 L N 1.028 122.305 121.223 0.089 0.000 2.079 564 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 564 L C 1.979 178.908 176.870 0.099 0.000 1.081 564 L CA 1.887 56.782 54.840 0.091 0.000 0.752 564 L CB -0.542 41.556 42.059 0.064 0.000 0.896 564 L HN 0.398 nan 8.230 nan 0.000 0.433 565 Q N -1.710 118.152 119.800 0.104 0.000 2.360 565 Q HA -0.116 4.223 4.340 -0.001 0.000 0.202 565 Q C 1.726 177.812 176.000 0.143 0.000 0.915 565 Q CA 0.011 55.872 55.803 0.097 0.000 0.943 565 Q CB 0.139 28.922 28.738 0.076 0.000 1.064 565 Q HN 0.480 nan 8.270 nan 0.000 0.511 566 F N 1.747 121.715 119.950 0.030 0.000 2.148 566 F HA -0.003 4.523 4.527 -0.001 0.000 0.285 566 F C 1.726 177.606 175.800 0.133 0.000 1.092 566 F CA 1.604 59.626 58.000 0.036 0.000 1.218 566 F CB -0.530 38.440 39.000 -0.050 0.000 1.059 566 F HN 0.143 nan 8.300 nan 0.000 0.490 567 N N 1.397 120.044 118.700 -0.088 0.000 2.430 567 N HA -0.187 4.552 4.740 -0.001 0.000 0.186 567 N C 1.876 177.405 175.510 0.032 0.000 1.032 567 N CA 1.078 54.149 53.050 0.035 0.000 0.893 567 N CB -0.644 38.084 38.487 0.401 0.000 0.957 567 N HN 0.444 nan 8.380 nan 0.000 0.442 568 A N 2.275 125.101 122.820 0.010 0.000 1.845 568 A HA -0.021 4.298 4.320 -0.001 0.000 0.215 568 A C 2.344 179.904 177.584 -0.039 0.000 1.195 568 A CA 0.890 52.928 52.037 0.002 0.000 0.616 568 A CB -0.816 18.199 19.000 0.024 0.000 0.832 568 A HN 0.197 nan 8.150 nan 0.000 0.443 569 L N -1.573 119.617 121.223 -0.055 0.000 2.465 569 L HA -0.095 4.244 4.340 -0.001 0.000 0.224 569 L C 2.330 179.141 176.870 -0.099 0.000 1.145 569 L CA 0.841 55.648 54.840 -0.055 0.000 0.834 569 L CB -0.429 41.629 42.059 -0.001 0.000 0.944 569 L HN 0.632 nan 8.230 nan 0.000 0.451 570 Y N 0.753 120.835 120.300 -0.364 0.000 2.201 570 Y HA -0.115 4.434 4.550 -0.001 0.000 0.292 570 Y C 2.382 178.168 175.900 -0.189 0.000 1.119 570 Y CA 1.182 59.053 58.100 -0.382 0.000 1.127 570 Y CB -0.081 37.992 38.460 -0.644 0.000 1.019 570 Y HN -0.068 nan 8.280 nan 0.000 0.514 571 K N 0.185 120.384 120.400 -0.335 0.000 2.044 571 K HA -0.225 4.094 4.320 -0.001 0.000 0.210 571 K C 1.742 178.202 176.600 -0.234 0.000 1.049 571 K CA 1.819 57.902 56.287 -0.340 0.000 0.927 571 K CB -0.394 32.013 32.500 -0.154 0.000 0.713 571 K HN 0.285 nan 8.250 nan 0.000 0.443 572 D N 0.423 120.735 120.400 -0.146 0.000 2.154 572 D HA -0.185 4.454 4.640 -0.001 0.000 0.190 572 D C 1.841 178.070 176.300 -0.119 0.000 1.003 572 D CA 1.313 55.253 54.000 -0.100 0.000 0.849 572 D CB -0.267 40.494 40.800 -0.065 0.000 0.942 572 D HN -0.053 nan 8.370 nan 0.000 0.446 573 V N 1.184 121.013 119.914 -0.141 0.000 2.343 573 V HA -0.223 3.896 4.120 -0.001 0.000 0.247 573 V C 2.438 178.433 176.094 -0.166 0.000 1.051 573 V CA 1.116 63.342 62.300 -0.123 0.000 1.036 573 V CB -0.415 31.359 31.823 -0.081 0.000 0.654 573 V HN 0.243 nan 8.190 nan 0.000 0.451 574 I N -0.101 120.313 120.570 -0.260 0.000 2.179 574 I HA -0.220 3.950 4.170 -0.001 0.000 0.242 574 I C 2.624 178.618 176.117 -0.205 0.000 1.088 574 I CA 1.790 62.936 61.300 -0.256 0.000 1.357 574 I CB -1.150 36.637 38.000 -0.355 0.000 1.051 574 I HN 0.305 nan 8.210 nan 0.000 0.409 575 R N 1.206 121.603 120.500 -0.172 0.000 2.070 575 R HA -0.130 4.210 4.340 -0.001 0.000 0.233 575 R C 2.507 178.682 176.300 -0.207 0.000 1.137 575 R CA 1.730 57.736 56.100 -0.156 0.000 0.945 575 R CB -0.231 30.044 30.300 -0.041 0.000 0.845 575 R HN 0.342 nan 8.270 nan 0.000 0.430 576 A N 1.313 124.048 122.820 -0.143 0.000 1.917 576 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 576 A C 2.233 179.729 177.584 -0.147 0.000 1.182 576 A CA 1.466 53.429 52.037 -0.124 0.000 0.633 576 A CB -0.701 18.247 19.000 -0.086 0.000 0.819 576 A HN 0.355 nan 8.150 nan 0.000 0.448 577 L N -1.259 119.872 121.223 -0.153 0.000 2.083 577 L HA -0.217 4.122 4.340 -0.001 0.000 0.209 577 L C 3.094 179.852 176.870 -0.188 0.000 1.083 577 L CA 1.141 55.895 54.840 -0.143 0.000 0.752 577 L CB -0.601 41.382 42.059 -0.127 0.000 0.899 577 L HN 0.499 nan 8.230 nan 0.000 0.433 578 A N -0.014 122.635 122.820 -0.284 0.000 1.854 578 A HA -0.153 4.166 4.320 -0.001 0.000 0.214 578 A C 2.278 179.619 177.584 -0.404 0.000 1.192 578 A CA 1.314 53.108 52.037 -0.406 0.000 0.611 578 A CB -0.319 18.258 19.000 -0.705 0.000 0.832 578 A HN 0.293 nan 8.150 nan 0.000 0.442 579 M N -1.076 118.276 119.600 -0.413 0.000 2.098 579 M HA -0.004 4.476 4.480 -0.001 0.000 0.262 579 M C 0.726 176.932 176.300 -0.157 0.000 1.072 579 M CA 1.085 56.213 55.300 -0.286 0.000 1.133 579 M CB -0.242 32.229 32.600 -0.215 0.000 1.344 579 M HN 0.392 nan 8.290 nan 0.000 0.414 580 N N 0.980 119.602 118.700 -0.130 0.000 2.664 580 N HA 0.094 4.834 4.740 -0.001 0.000 0.257 580 N C 0.023 175.483 175.510 -0.084 0.000 1.108 580 N CA 0.036 53.033 53.050 -0.088 0.000 0.822 580 N CB 1.249 39.700 38.487 -0.061 0.000 1.199 580 N HN 0.221 nan 8.380 nan 0.000 0.529 581 E N 0.786 120.935 120.200 -0.085 0.000 2.106 581 E HA -0.159 4.191 4.350 -0.001 0.000 0.192 581 E C 1.726 178.297 176.600 -0.048 0.000 0.984 581 E CA 1.282 57.640 56.400 -0.071 0.000 0.806 581 E CB 0.310 29.968 29.700 -0.070 0.000 0.750 581 E HN 0.682 nan 8.360 nan 0.000 0.458 582 S N 0.610 116.285 115.700 -0.041 0.000 2.372 582 S HA -0.297 4.173 4.470 -0.001 0.000 0.227 582 S C 1.966 176.551 174.600 -0.025 0.000 1.044 582 S CA 1.443 59.626 58.200 -0.029 0.000 1.050 582 S CB -0.471 62.714 63.200 -0.025 0.000 0.901 582 S HN 0.295 nan 8.310 nan 0.000 0.447 583 Q N 0.325 120.107 119.800 -0.029 0.000 2.049 583 Q HA 0.051 4.391 4.340 -0.001 0.000 0.198 583 Q C 2.384 178.370 176.000 -0.023 0.000 0.971 583 Q CA 1.385 57.174 55.803 -0.024 0.000 0.833 583 Q CB -0.296 28.427 28.738 -0.025 0.000 0.896 583 Q HN 0.532 nan 8.270 nan 0.000 0.434 584 I N -0.088 120.464 120.570 -0.031 0.000 2.335 584 I HA -0.236 3.933 4.170 -0.001 0.000 0.251 584 I C 1.895 178.000 176.117 -0.020 0.000 1.129 584 I CA 1.644 62.927 61.300 -0.028 0.000 1.402 584 I CB -0.491 37.485 38.000 -0.040 0.000 1.069 584 I HN 0.359 nan 8.210 nan 0.000 0.424 585 M N -1.229 118.360 119.600 -0.019 0.000 2.279 585 M HA 0.111 4.591 4.480 -0.001 0.000 0.299 585 M C 0.852 177.148 176.300 -0.007 0.000 0.970 585 M CA -0.037 55.256 55.300 -0.012 0.000 1.065 585 M CB 0.738 33.330 32.600 -0.014 0.000 1.669 585 M HN 0.104 nan 8.290 nan 0.000 0.582 609 V N 4.688 124.546 119.914 -0.093 0.000 2.529 609 V HA -0.030 4.090 4.120 -0.001 0.000 0.249 609 V C 0.222 176.228 176.094 -0.147 0.000 1.021 609 V CA 0.724 62.967 62.300 -0.094 0.000 1.203 609 V CB -0.639 31.149 31.823 -0.057 0.000 1.136 609 V HN 0.487 nan 8.190 nan 0.000 0.474 610 E N 3.395 123.458 120.200 -0.229 0.000 2.158 610 E HA 0.613 4.962 4.350 -0.001 0.000 0.271 610 E C 0.068 176.641 176.600 -0.045 0.000 0.911 610 E CA -0.330 55.803 56.400 -0.445 0.000 0.767 610 E CB 2.432 31.329 29.700 -1.338 0.000 1.120 610 E HN 0.721 nan 8.360 nan 0.000 0.405 611 T N -1.029 113.625 114.554 0.166 0.000 2.883 611 T HA 0.628 4.977 4.350 -0.001 0.000 0.296 611 T C 0.107 175.034 174.700 0.378 0.000 1.117 611 T CA -0.827 61.434 62.100 0.268 0.000 1.006 611 T CB 0.827 69.697 68.868 0.003 0.000 1.191 611 T HN 0.304 nan 8.240 nan 0.000 0.508 612 I N 2.312 122.948 120.570 0.111 0.000 2.313 612 I HA 0.302 4.471 4.170 -0.001 0.000 0.286 612 I C -2.432 173.485 176.117 -0.333 0.000 1.091 612 I CA -2.411 58.806 61.300 -0.138 0.000 1.216 612 I CB 0.687 38.520 38.000 -0.277 0.000 1.434 612 I HN 0.368 nan 8.210 nan 0.000 0.487 613 P HA -0.039 nan 4.420 nan 0.000 0.261 613 P C 0.633 177.957 177.300 0.040 0.000 1.173 613 P CA 0.067 63.119 63.100 -0.079 0.000 0.760 613 P CB 0.249 31.977 31.700 0.048 0.000 0.783 614 F N 1.654 121.676 119.950 0.121 0.000 2.213 614 F HA -0.206 4.320 4.527 -0.001 0.000 0.299 614 F C 1.139 177.104 175.800 0.275 0.000 1.036 614 F CA 1.456 59.580 58.000 0.207 0.000 1.335 614 F CB -0.584 38.508 39.000 0.155 0.000 1.082 614 F HN 0.260 nan 8.300 nan 0.000 0.518 615 L N 1.097 122.559 121.223 0.397 0.000 2.442 615 L HA 0.338 4.677 4.340 -0.001 0.000 0.261 615 L C -0.501 176.538 176.870 0.282 0.000 1.000 615 L CA -0.589 54.437 54.840 0.309 0.000 0.882 615 L CB 0.885 43.137 42.059 0.322 0.000 1.207 615 L HN 0.092 nan 8.230 nan 0.000 0.443 616 H N 2.745 121.885 119.070 0.115 0.000 2.895 616 H HA 0.629 5.184 4.556 -0.001 0.000 0.373 616 H C -1.124 174.264 175.328 0.099 0.000 1.174 616 H CA -0.993 55.078 56.048 0.038 0.000 1.144 616 H CB 1.895 31.458 29.762 -0.333 0.000 1.793 616 H HN 0.295 nan 8.280 nan 0.000 0.551 617 L N 1.109 122.461 121.223 0.215 0.000 2.488 617 L HA 0.595 4.934 4.340 -0.001 0.000 0.249 617 L C 0.557 177.587 176.870 0.267 0.000 1.151 617 L CA -0.935 54.011 54.840 0.177 0.000 0.806 617 L CB 0.562 42.724 42.059 0.172 0.000 1.261 617 L HN 0.579 nan 8.230 nan 0.000 0.484 618 R N -0.231 120.420 120.500 0.252 0.000 2.831 618 R HA 0.571 4.910 4.340 -0.001 0.000 0.266 618 R C -1.316 175.213 176.300 0.381 0.000 1.051 618 R CA -1.007 55.258 56.100 0.275 0.000 0.943 618 R CB 2.621 32.963 30.300 0.071 0.000 1.228 618 R HN 0.429 nan 8.270 nan 0.000 0.467 619 K N 0.855 121.417 120.400 0.270 0.000 2.482 619 K HA 0.376 4.695 4.320 -0.001 0.000 0.257 619 K C -1.179 175.297 176.600 -0.207 0.000 0.969 619 K CA -0.744 55.611 56.287 0.115 0.000 0.842 619 K CB 2.185 34.717 32.500 0.054 0.000 1.359 619 K HN 0.301 nan 8.250 nan 0.000 0.441 620 K N 1.670 121.760 120.400 -0.517 0.000 2.205 620 K HA 0.086 4.405 4.320 -0.001 0.000 0.279 620 K C -0.477 175.919 176.600 -0.339 0.000 1.027 620 K CA -0.504 55.367 56.287 -0.694 0.000 0.932 620 K CB 0.974 32.944 32.500 -0.883 0.000 1.032 620 K HN 0.526 nan 8.250 nan 0.000 0.466 621 D N 1.773 122.015 120.400 -0.263 0.000 2.371 621 D HA -0.019 4.620 4.640 -0.001 0.000 0.242 621 D C 0.917 177.157 176.300 -0.100 0.000 1.218 621 D CA 0.244 54.172 54.000 -0.120 0.000 0.945 621 D CB 0.885 41.662 40.800 -0.039 0.000 1.137 621 D HN 0.456 nan 8.370 nan 0.000 0.464 622 E N 0.236 120.420 120.200 -0.027 0.000 2.130 622 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 622 E C 0.374 176.845 176.600 -0.214 0.000 0.998 622 E CA 0.944 57.275 56.400 -0.116 0.000 0.806 622 E CB -0.167 29.482 29.700 -0.084 0.000 0.738 622 E HN 0.406 nan 8.360 nan 0.000 0.459 623 F N 1.143 121.012 119.950 -0.135 0.000 2.509 623 F HA 0.269 4.796 4.527 -0.001 0.000 0.344 623 F C 1.143 176.856 175.800 -0.143 0.000 1.197 623 F CA -0.633 57.298 58.000 -0.116 0.000 1.294 623 F CB 0.492 39.436 39.000 -0.094 0.000 1.643 623 F HN -0.111 nan 8.300 nan 0.000 0.596 624 G N 2.239 110.992 108.800 -0.078 0.000 1.969 624 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.238 624 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.238 624 G C -0.106 174.671 174.900 -0.206 0.000 0.690 624 G CA 0.201 45.192 45.100 -0.182 0.000 0.979 624 G HN 0.470 nan 8.290 nan 0.000 0.375 625 N N -0.380 118.164 118.700 -0.261 0.000 2.284 625 N HA 0.363 5.102 4.740 -0.001 0.000 0.300 625 N C -0.726 174.580 175.510 -0.339 0.000 1.047 625 N CA -0.761 52.168 53.050 -0.202 0.000 0.821 625 N CB 1.181 39.618 38.487 -0.083 0.000 1.337 625 N HN 0.364 nan 8.380 nan 0.000 0.482 626 W N 1.520 122.745 121.300 -0.124 0.000 2.360 626 W HA 0.288 4.948 4.660 -0.001 0.000 0.344 626 W C 0.295 176.670 176.519 -0.240 0.000 1.025 626 W CA -0.485 56.699 57.345 -0.267 0.000 1.480 626 W CB 0.392 29.505 29.460 -0.578 0.000 1.350 626 W HN 0.211 nan 8.180 nan 0.000 0.382 627 E N 1.978 122.190 120.200 0.019 0.000 2.191 627 E HA 0.078 4.427 4.350 -0.001 0.000 0.274 627 E C -0.707 175.958 176.600 0.108 0.000 0.948 627 E CA -1.451 54.962 56.400 0.021 0.000 0.802 627 E CB 1.391 31.072 29.700 -0.032 0.000 1.137 627 E HN 0.162 nan 8.360 nan 0.000 0.397 628 Y N 2.569 122.836 120.300 -0.055 0.000 2.804 628 Y HA -0.059 4.490 4.550 -0.001 0.000 0.338 628 Y C -0.343 175.556 175.900 -0.003 0.000 1.252 628 Y CA -0.204 57.873 58.100 -0.038 0.000 1.576 628 Y CB 0.051 38.383 38.460 -0.214 0.000 1.223 628 Y HN 0.294 nan 8.280 nan 0.000 0.536 629 S N 7.129 123.100 115.700 0.451 0.000 2.461 629 S HA 0.311 4.781 4.470 -0.001 0.000 0.322 629 S C 0.836 175.609 174.600 0.287 0.000 1.063 629 S CA -0.806 57.507 58.200 0.189 0.000 1.120 629 S CB 0.396 63.702 63.200 0.177 0.000 0.968 629 S HN 0.845 nan 8.310 nan 0.000 0.467 630 K N 3.603 123.999 120.400 -0.007 0.000 2.103 630 K HA -0.124 4.195 4.320 -0.001 0.000 0.207 630 K C 1.757 178.471 176.600 0.190 0.000 1.048 630 K CA 1.328 57.720 56.287 0.175 0.000 0.930 630 K CB -0.053 32.442 32.500 -0.009 0.000 0.716 630 K HN 0.637 nan 8.250 nan 0.000 0.444 631 K N 0.808 121.281 120.400 0.121 0.000 2.044 631 K HA -0.165 4.154 4.320 -0.001 0.000 0.210 631 K C 2.227 178.916 176.600 0.149 0.000 1.049 631 K CA 1.440 57.795 56.287 0.113 0.000 0.927 631 K CB -0.290 32.260 32.500 0.084 0.000 0.713 631 K HN 0.101 nan 8.250 nan 0.000 0.443 632 L N 0.530 121.862 121.223 0.182 0.000 2.034 632 L HA -0.113 4.226 4.340 -0.001 0.000 0.203 632 L C 2.510 179.537 176.870 0.261 0.000 1.074 632 L CA 1.269 56.231 54.840 0.202 0.000 0.748 632 L CB -1.020 41.158 42.059 0.199 0.000 0.905 632 L HN 0.155 nan 8.230 nan 0.000 0.439 633 T N 0.163 114.908 114.554 0.320 0.000 2.751 633 T HA -0.224 4.126 4.350 -0.001 0.000 0.268 633 T C 1.708 176.571 174.700 0.272 0.000 1.045 633 T CA 1.449 63.761 62.100 0.353 0.000 1.142 633 T CB -0.744 68.364 68.868 0.398 0.000 0.851 633 T HN 0.617 nan 8.240 nan 0.000 0.474 634 G N 1.239 110.174 108.800 0.226 0.000 2.556 634 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.215 634 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.215 634 G C 1.446 176.427 174.900 0.136 0.000 1.258 634 G CA 0.565 45.756 45.100 0.152 0.000 0.811 634 G HN 0.522 nan 8.290 nan 0.000 0.557 635 I N -0.535 120.123 120.570 0.147 0.000 2.367 635 I HA -0.293 3.876 4.170 -0.001 0.000 0.256 635 I C 2.360 178.585 176.117 0.180 0.000 1.132 635 I CA 1.894 63.276 61.300 0.138 0.000 1.397 635 I CB -0.062 38.015 38.000 0.128 0.000 1.074 635 I HN 0.363 nan 8.210 nan 0.000 0.435 636 Y N 1.166 121.516 120.300 0.083 0.000 2.134 636 Y HA -0.144 4.405 4.550 -0.001 0.000 0.283 636 Y C 2.124 178.062 175.900 0.063 0.000 1.108 636 Y CA 1.603 59.746 58.100 0.072 0.000 1.096 636 Y CB -0.992 37.516 38.460 0.080 0.000 1.005 636 Y HN 0.068 nan 8.280 nan 0.000 0.487 637 L N 0.654 121.678 121.223 -0.332 0.000 2.197 637 L HA -0.281 4.058 4.340 -0.001 0.000 0.215 637 L C 2.044 178.787 176.870 -0.211 0.000 1.095 637 L CA 1.591 56.161 54.840 -0.450 0.000 0.764 637 L CB -0.575 41.380 42.059 -0.174 0.000 0.897 637 L HN 0.313 nan 8.230 nan 0.000 0.436 638 D N -0.399 119.955 120.400 -0.077 0.000 2.084 638 D HA -0.146 4.493 4.640 -0.001 0.000 0.194 638 D C 2.086 178.376 176.300 -0.018 0.000 0.990 638 D CA 1.575 55.564 54.000 -0.019 0.000 0.826 638 D CB -0.515 40.299 40.800 0.024 0.000 0.971 638 D HN 0.341 nan 8.370 nan 0.000 0.453 639 G N 0.984 109.783 108.800 -0.002 0.000 2.440 639 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.218 639 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.218 639 G C 1.575 176.466 174.900 -0.014 0.000 1.154 639 G CA 0.641 45.753 45.100 0.020 0.000 0.767 639 G HN 0.227 nan 8.290 nan 0.000 0.552 640 L N 0.630 121.774 121.223 -0.132 0.000 2.129 640 L HA -0.065 4.274 4.340 -0.001 0.000 0.212 640 L C 2.445 179.342 176.870 0.046 0.000 1.087 640 L CA 2.242 56.961 54.840 -0.201 0.000 0.757 640 L CB -0.425 41.324 42.059 -0.517 0.000 0.896 640 L HN 0.323 nan 8.230 nan 0.000 0.434 641 E N -0.681 119.539 120.200 0.034 0.000 2.051 641 E HA -0.124 4.225 4.350 -0.001 0.000 0.189 641 E C 2.094 178.753 176.600 0.098 0.000 0.979 641 E CA 0.953 57.412 56.400 0.099 0.000 0.803 641 E CB -0.028 29.692 29.700 0.034 0.000 0.761 641 E HN 0.541 nan 8.360 nan 0.000 0.451 642 A N 1.454 124.306 122.820 0.053 0.000 1.986 642 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 642 A C 2.344 179.958 177.584 0.050 0.000 1.171 642 A CA 2.070 54.131 52.037 0.039 0.000 0.640 642 A CB -0.604 18.410 19.000 0.024 0.000 0.811 642 A HN 0.366 nan 8.150 nan 0.000 0.451 643 A N -0.102 122.773 122.820 0.092 0.000 1.841 643 A HA 0.178 4.498 4.320 -0.001 0.000 0.214 643 A C 2.517 180.177 177.584 0.127 0.000 1.195 643 A CA 2.055 54.164 52.037 0.119 0.000 0.611 643 A CB -1.198 17.926 19.000 0.207 0.000 0.835 643 A HN 1.205 nan 8.150 nan 0.000 0.443 644 A N -0.835 122.145 122.820 0.267 0.000 2.076 644 A HA -0.148 4.171 4.320 -0.001 0.000 0.220 644 A C 2.209 179.804 177.584 0.018 0.000 1.160 644 A CA 1.600 53.710 52.037 0.122 0.000 0.653 644 A CB -0.367 18.779 19.000 0.243 0.000 0.801 644 A HN 0.578 nan 8.150 nan 0.000 0.455 645 R N -0.516 120.000 120.500 0.027 0.000 2.009 645 R HA 0.022 4.361 4.340 -0.001 0.000 0.213 645 R C 2.033 178.318 176.300 -0.026 0.000 1.297 645 R CA 1.266 57.366 56.100 -0.001 0.000 1.008 645 R CB -0.425 29.879 30.300 0.007 0.000 0.852 645 R HN 0.556 nan 8.270 nan 0.000 0.475 646 S N 0.029 115.716 115.700 -0.021 0.000 2.597 646 S HA 0.285 4.755 4.470 -0.001 0.000 0.224 646 S C 0.822 175.393 174.600 -0.048 0.000 0.955 646 S CA -0.038 58.143 58.200 -0.031 0.000 0.933 646 S CB 0.575 63.763 63.200 -0.020 0.000 0.788 646 S HN 0.734 nan 8.310 nan 0.000 0.488 647 G N 0.965 109.726 108.800 -0.067 0.000 2.642 647 G HA2 0.020 3.980 3.960 -0.001 0.000 0.231 647 G HA3 0.020 3.980 3.960 -0.001 0.000 0.231 647 G C -1.099 173.754 174.900 -0.079 0.000 1.338 647 G CA -0.208 44.830 45.100 -0.103 0.000 0.883 647 G HN 1.301 nan 8.290 nan 0.000 0.570 648 L N -0.956 120.210 121.223 -0.096 0.000 2.676 648 L HA 0.734 5.073 4.340 -0.001 0.000 0.262 648 L C -0.023 176.680 176.870 -0.278 0.000 0.932 648 L CA 0.465 55.208 54.840 -0.162 0.000 0.932 648 L CB 1.759 43.754 42.059 -0.106 0.000 1.355 648 L HN 1.349 nan 8.230 nan 0.000 0.421 649 T N 3.559 117.915 114.554 -0.331 0.000 2.929 649 T HA 0.621 4.970 4.350 -0.001 0.000 0.284 649 T C -0.093 174.315 174.700 -0.486 0.000 1.014 649 T CA 0.018 61.944 62.100 -0.289 0.000 1.051 649 T CB 0.558 69.359 68.868 -0.112 0.000 1.028 649 T HN 0.414 nan 8.240 nan 0.000 0.485 650 F N 1.156 121.123 119.950 0.028 0.000 2.724 650 F HA 0.395 4.921 4.527 -0.001 0.000 0.310 650 F C 1.139 176.935 175.800 -0.006 0.000 1.107 650 F CA -0.637 57.371 58.000 0.014 0.000 1.218 650 F CB 0.158 39.129 39.000 -0.047 0.000 1.042 650 F HN 0.506 nan 8.300 nan 0.000 0.540 651 Q N 0.712 120.571 119.800 0.098 0.000 2.368 651 Q HA 0.203 4.542 4.340 -0.001 0.000 0.331 651 Q C 1.466 177.466 176.000 -0.000 0.000 1.086 651 Q CA 1.573 57.399 55.803 0.040 0.000 1.031 651 Q CB 0.254 29.000 28.738 0.013 0.000 1.125 651 Q HN 0.714 nan 8.270 nan 0.000 0.389 652 G N 2.965 111.727 108.800 -0.063 0.000 2.179 652 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.260 652 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.260 652 G C -0.262 174.442 174.900 -0.327 0.000 0.977 652 G CA 0.230 45.226 45.100 -0.174 0.000 0.641 652 G HN 0.511 nan 8.290 nan 0.000 0.533 653 K N 0.966 121.258 120.400 -0.180 0.000 2.144 653 K HA 0.518 4.837 4.320 -0.001 0.000 0.270 653 K C -0.260 176.160 176.600 -0.301 0.000 1.005 653 K CA -0.396 55.798 56.287 -0.154 0.000 0.932 653 K CB 0.789 33.419 32.500 0.216 0.000 1.021 653 K HN 0.397 nan 8.250 nan 0.000 0.462 654 H N -0.195 118.780 119.070 -0.157 0.000 2.469 654 H HA 0.604 5.159 4.556 -0.001 0.000 0.342 654 H C -0.642 174.635 175.328 -0.086 0.000 1.115 654 H CA -0.786 55.059 56.048 -0.337 0.000 1.204 654 H CB 1.916 31.381 29.762 -0.495 0.000 1.492 654 H HN 0.675 nan 8.280 nan 0.000 0.499 655 A N 2.834 125.685 122.820 0.052 0.000 2.520 655 A HA 0.468 4.787 4.320 -0.001 0.000 0.298 655 A C -1.446 176.210 177.584 0.120 0.000 1.051 655 A CA -0.662 51.444 52.037 0.116 0.000 0.690 655 A CB 1.828 20.857 19.000 0.049 0.000 1.281 655 A HN 0.486 nan 8.150 nan 0.000 0.402 656 L N 1.871 123.160 121.223 0.109 0.000 2.309 656 L HA 0.880 5.219 4.340 -0.001 0.000 0.282 656 L C -0.587 176.275 176.870 -0.013 0.000 1.036 656 L CA -0.135 54.741 54.840 0.061 0.000 0.806 656 L CB 0.861 42.949 42.059 0.049 0.000 1.220 656 L HN 0.710 nan 8.230 nan 0.000 0.429 657 M N 4.828 124.398 119.600 -0.049 0.000 2.165 657 M HA 0.353 4.832 4.480 -0.001 0.000 0.283 657 M C -0.739 175.526 176.300 -0.058 0.000 0.978 657 M CA -0.531 54.721 55.300 -0.081 0.000 0.948 657 M CB 2.183 34.714 32.600 -0.114 0.000 1.599 657 M HN 0.779 nan 8.290 nan 0.000 0.450 658 T N -1.011 113.533 114.554 -0.016 0.000 2.855 658 T HA 0.757 5.107 4.350 -0.001 0.000 0.281 658 T C 0.835 175.610 174.700 0.126 0.000 1.007 658 T CA 0.345 62.474 62.100 0.049 0.000 1.009 658 T CB 1.762 70.675 68.868 0.076 0.000 0.983 658 T HN 1.035 nan 8.240 nan 0.000 0.455 659 G N 1.310 110.197 108.800 0.145 0.000 2.131 659 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.223 659 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.223 659 G C 0.527 175.517 174.900 0.149 0.000 0.990 659 G CA -0.195 45.007 45.100 0.171 0.000 0.671 659 G HN 1.591 nan 8.290 nan 0.000 0.521 660 A N 0.557 123.454 122.820 0.127 0.000 2.840 660 A HA 0.655 4.974 4.320 -0.001 0.000 0.269 660 A C 1.529 179.225 177.584 0.187 0.000 1.439 660 A CA 1.140 53.263 52.037 0.142 0.000 1.083 660 A CB -0.545 18.548 19.000 0.155 0.000 1.019 660 A HN 1.778 nan 8.150 nan 0.000 0.607 661 G N -0.412 108.449 108.800 0.102 0.000 2.630 661 G HA2 0.436 4.395 3.960 -0.001 0.000 0.236 661 G HA3 0.436 4.395 3.960 -0.001 0.000 0.236 661 G C 0.569 175.380 174.900 -0.147 0.000 1.248 661 G CA 0.070 45.159 45.100 -0.017 0.000 0.844 661 G HN 1.113 nan 8.290 nan 0.000 0.588 662 A N -0.088 122.447 122.820 -0.474 0.000 2.567 662 A HA 0.504 4.823 4.320 -0.001 0.000 0.240 662 A C 1.646 179.150 177.584 -0.134 0.000 1.053 662 A CA 1.133 52.827 52.037 -0.572 0.000 0.755 662 A CB -0.543 17.918 19.000 -0.897 0.000 0.978 662 A HN 2.675 nan 8.150 nan 0.000 0.507 663 G N 1.827 110.643 108.800 0.026 0.000 2.273 663 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.280 663 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.280 663 G C 0.320 175.249 174.900 0.047 0.000 1.047 663 G CA 0.977 46.103 45.100 0.045 0.000 0.869 663 G HN 2.295 nan 8.290 nan 0.000 0.502 664 S N -1.620 114.117 115.700 0.062 0.000 2.677 664 S HA 0.756 5.226 4.470 -0.001 0.000 0.304 664 S C 1.453 176.117 174.600 0.107 0.000 1.108 664 S CA -0.446 57.805 58.200 0.084 0.000 0.944 664 S CB 1.793 65.048 63.200 0.091 0.000 1.127 664 S HN 0.221 nan 8.310 nan 0.000 0.511 665 I N 1.193 121.851 120.570 0.148 0.000 2.118 665 I HA -0.146 4.023 4.170 -0.001 0.000 0.241 665 I C 2.773 178.945 176.117 0.092 0.000 1.070 665 I CA 1.875 63.276 61.300 0.168 0.000 1.327 665 I CB -1.197 36.976 38.000 0.287 0.000 1.034 665 I HN 0.953 nan 8.210 nan 0.000 0.405 666 G N 0.632 109.487 108.800 0.091 0.000 2.505 666 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.220 666 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.220 666 G C 1.843 176.720 174.900 -0.040 0.000 1.145 666 G CA 1.087 46.124 45.100 -0.105 0.000 0.761 666 G HN 0.537 nan 8.290 nan 0.000 0.571 667 A N 0.390 123.240 122.820 0.050 0.000 1.908 667 A HA -0.065 4.254 4.320 -0.001 0.000 0.218 667 A C 2.288 179.890 177.584 0.029 0.000 1.181 667 A CA 2.071 54.161 52.037 0.089 0.000 0.627 667 A CB -0.286 18.791 19.000 0.129 0.000 0.818 667 A HN 0.342 nan 8.150 nan 0.000 0.445 668 E N -0.251 119.955 120.200 0.009 0.000 2.046 668 E HA -0.082 4.267 4.350 -0.001 0.000 0.190 668 E C 2.257 178.797 176.600 -0.100 0.000 0.982 668 E CA 1.241 57.629 56.400 -0.021 0.000 0.800 668 E CB -0.728 28.988 29.700 0.026 0.000 0.756 668 E HN 0.368 nan 8.360 nan 0.000 0.449 669 V N 2.199 122.036 119.914 -0.129 0.000 2.380 669 V HA -0.271 3.848 4.120 -0.001 0.000 0.251 669 V C 2.549 178.484 176.094 -0.266 0.000 1.063 669 V CA 1.635 63.794 62.300 -0.234 0.000 1.055 669 V CB -0.696 30.951 31.823 -0.294 0.000 0.657 669 V HN 0.161 nan 8.190 nan 0.000 0.455 670 L N 0.558 121.675 121.223 -0.175 0.000 1.955 670 L HA -0.263 4.076 4.340 -0.001 0.000 0.213 670 L C 2.597 179.391 176.870 -0.126 0.000 1.072 670 L CA 2.166 56.931 54.840 -0.125 0.000 0.755 670 L CB -0.892 41.169 42.059 0.004 0.000 0.888 670 L HN 0.387 nan 8.230 nan 0.000 0.432 671 Q N -0.318 119.422 119.800 -0.100 0.000 2.197 671 Q HA -0.184 4.156 4.340 -0.001 0.000 0.207 671 Q C 2.069 177.985 176.000 -0.140 0.000 0.984 671 Q CA 1.352 57.096 55.803 -0.099 0.000 0.869 671 Q CB -0.810 27.876 28.738 -0.088 0.000 0.906 671 Q HN 0.765 nan 8.270 nan 0.000 0.426 672 G N 1.734 110.370 108.800 -0.274 0.000 2.587 672 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 672 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 672 G C 1.306 176.087 174.900 -0.199 0.000 1.240 672 G CA 1.069 45.880 45.100 -0.483 0.000 0.794 672 G HN 0.207 nan 8.290 nan 0.000 0.580 673 L N 0.402 121.433 121.223 -0.319 0.000 2.187 673 L HA -0.001 4.338 4.340 -0.001 0.000 0.213 673 L C 2.773 179.611 176.870 -0.054 0.000 1.100 673 L CA 0.658 55.305 54.840 -0.323 0.000 0.765 673 L CB -0.371 41.332 42.059 -0.593 0.000 0.904 673 L HN 0.169 nan 8.230 nan 0.000 0.437 674 L N -1.685 119.507 121.223 -0.051 0.000 2.217 674 L HA -0.129 4.210 4.340 -0.001 0.000 0.211 674 L C 2.463 179.338 176.870 0.008 0.000 1.107 674 L CA 0.745 55.586 54.840 0.002 0.000 0.783 674 L CB -0.318 41.739 42.059 -0.002 0.000 0.919 674 L HN 0.204 nan 8.230 nan 0.000 0.442 675 S N -0.453 115.269 115.700 0.036 0.000 2.436 675 S HA 0.027 4.497 4.470 -0.001 0.000 0.228 675 S C 1.145 175.813 174.600 0.113 0.000 1.014 675 S CA 0.535 58.776 58.200 0.069 0.000 0.950 675 S CB -0.168 63.102 63.200 0.117 0.000 0.784 675 S HN 0.502 nan 8.310 nan 0.000 0.504 676 G N -0.007 108.913 108.800 0.199 0.000 2.616 676 G HA2 0.435 4.395 3.960 -0.001 0.000 0.268 676 G HA3 0.435 4.395 3.960 -0.001 0.000 0.268 676 G C 0.658 175.642 174.900 0.140 0.000 1.213 676 G CA -0.218 45.000 45.100 0.197 0.000 0.926 676 G HN 0.329 nan 8.290 nan 0.000 0.523 677 G N -0.657 108.208 108.800 0.108 0.000 3.340 677 G HA2 0.435 4.394 3.960 -0.001 0.000 0.240 677 G HA3 0.435 4.394 3.960 -0.001 0.000 0.240 677 G C 0.618 175.555 174.900 0.061 0.000 1.327 677 G CA 0.641 45.785 45.100 0.073 0.000 1.170 677 G HN 0.881 nan 8.290 nan 0.000 0.520 678 A N 0.569 123.433 122.820 0.073 0.000 2.363 678 A HA 0.586 4.906 4.320 -0.001 0.000 0.270 678 A C 0.344 177.928 177.584 -0.000 0.000 1.121 678 A CA -0.432 51.611 52.037 0.010 0.000 0.800 678 A CB 0.655 19.627 19.000 -0.047 0.000 1.052 678 A HN 0.337 nan 8.150 nan 0.000 0.493 679 K N 1.416 121.771 120.400 -0.076 0.000 2.234 679 K HA 0.503 4.823 4.320 -0.001 0.000 0.277 679 K C -0.650 175.825 176.600 -0.208 0.000 1.038 679 K CA -0.367 55.844 56.287 -0.127 0.000 0.888 679 K CB 1.397 33.708 32.500 -0.315 0.000 1.091 679 K HN 0.598 nan 8.250 nan 0.000 0.467 680 V N 0.793 120.744 119.914 0.063 0.000 2.876 680 V HA 0.561 4.681 4.120 -0.001 0.000 0.312 680 V C -0.571 175.743 176.094 0.367 0.000 1.085 680 V CA -1.135 61.264 62.300 0.165 0.000 0.945 680 V CB 1.848 33.695 31.823 0.040 0.000 1.017 680 V HN 0.757 nan 8.190 nan 0.000 0.428 681 I N 3.533 124.327 120.570 0.374 0.000 2.339 681 I HA 0.657 4.826 4.170 -0.001 0.000 0.290 681 I C -0.876 175.254 176.117 0.021 0.000 0.994 681 I CA -0.610 60.789 61.300 0.165 0.000 1.191 681 I CB 1.363 39.406 38.000 0.071 0.000 1.343 681 I HN 0.612 nan 8.210 nan 0.000 0.458 682 V N 5.882 125.758 119.914 -0.063 0.000 2.483 682 V HA 0.437 4.557 4.120 -0.001 0.000 0.295 682 V C 0.304 176.306 176.094 -0.153 0.000 1.035 682 V CA -0.504 61.711 62.300 -0.141 0.000 0.896 682 V CB 1.893 33.541 31.823 -0.292 0.000 0.986 682 V HN 0.809 nan 8.190 nan 0.000 0.447 683 T N 0.669 115.168 114.554 -0.093 0.000 2.829 683 T HA 0.609 4.959 4.350 -0.001 0.000 0.282 683 T C -0.293 174.460 174.700 0.088 0.000 0.990 683 T CA -0.504 61.601 62.100 0.007 0.000 1.028 683 T CB 1.510 70.382 68.868 0.006 0.000 0.951 683 T HN 0.570 nan 8.240 nan 0.000 0.460 684 T N 1.789 116.432 114.554 0.148 0.000 2.848 684 T HA 0.447 4.797 4.350 -0.001 0.000 0.285 684 T C 1.057 175.885 174.700 0.213 0.000 0.995 684 T CA -0.539 61.665 62.100 0.173 0.000 0.970 684 T CB 1.510 70.461 68.868 0.138 0.000 0.976 684 T HN 0.858 nan 8.240 nan 0.000 0.441 685 S N 3.401 119.196 115.700 0.158 0.000 2.575 685 S HA 0.188 4.658 4.470 -0.001 0.000 0.215 685 S C 0.755 175.411 174.600 0.092 0.000 0.966 685 S CA -0.256 58.008 58.200 0.107 0.000 0.911 685 S CB 0.057 63.290 63.200 0.054 0.000 0.780 685 S HN 0.617 nan 8.310 nan 0.000 0.514 686 R N 0.674 121.245 120.500 0.118 0.000 2.718 686 R HA 0.259 4.598 4.340 -0.001 0.000 0.307 686 R C -1.214 175.180 176.300 0.157 0.000 1.244 686 R CA -0.437 55.724 56.100 0.101 0.000 1.348 686 R CB 0.016 30.344 30.300 0.047 0.000 1.304 686 R HN 0.475 nan 8.270 nan 0.000 0.663 687 F N 2.195 122.167 119.950 0.036 0.000 2.506 687 F HA 0.025 4.551 4.527 -0.001 0.000 0.353 687 F C 0.003 175.825 175.800 0.035 0.000 1.194 687 F CA 0.405 58.433 58.000 0.046 0.000 1.048 687 F CB 0.338 39.355 39.000 0.028 0.000 1.160 687 F HN 0.108 nan 8.300 nan 0.000 0.598 688 S N 5.519 121.328 115.700 0.183 0.000 2.748 688 S HA 0.383 4.852 4.470 -0.001 0.000 0.299 688 S C 1.107 175.777 174.600 0.116 0.000 1.119 688 S CA -0.984 57.317 58.200 0.168 0.000 0.997 688 S CB 1.695 64.936 63.200 0.069 0.000 1.223 688 S HN 0.776 nan 8.310 nan 0.000 0.541 689 R N 0.561 121.121 120.500 0.100 0.000 2.062 689 R HA -0.020 4.319 4.340 -0.001 0.000 0.226 689 R C 2.302 178.613 176.300 0.017 0.000 1.125 689 R CA 1.085 57.224 56.100 0.065 0.000 0.966 689 R CB -0.400 29.938 30.300 0.062 0.000 0.861 689 R HN 0.730 nan 8.270 nan 0.000 0.433 690 Q N 0.557 120.364 119.800 0.013 0.000 2.077 690 Q HA -0.152 4.187 4.340 -0.001 0.000 0.206 690 Q C 1.921 177.910 176.000 -0.019 0.000 0.989 690 Q CA 2.190 57.989 55.803 -0.007 0.000 0.853 690 Q CB 0.009 28.739 28.738 -0.013 0.000 0.907 690 Q HN 0.323 nan 8.270 nan 0.000 0.418 691 V N 0.540 120.430 119.914 -0.040 0.000 2.427 691 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 691 V C 2.388 178.518 176.094 0.059 0.000 1.051 691 V CA 2.052 64.321 62.300 -0.052 0.000 1.048 691 V CB -0.873 30.919 31.823 -0.053 0.000 0.666 691 V HN 0.437 nan 8.190 nan 0.000 0.456 692 T N -0.363 114.161 114.554 -0.050 0.000 2.652 692 T HA -0.234 4.115 4.350 -0.001 0.000 0.267 692 T C 1.849 176.584 174.700 0.059 0.000 1.039 692 T CA 1.947 64.043 62.100 -0.006 0.000 1.153 692 T CB -0.224 68.612 68.868 -0.054 0.000 0.863 692 T HN 0.588 nan 8.240 nan 0.000 0.428 693 E N -0.319 119.879 120.200 -0.003 0.000 2.031 693 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 693 E C 1.923 178.453 176.600 -0.117 0.000 0.994 693 E CA 1.326 57.679 56.400 -0.077 0.000 0.800 693 E CB -0.339 29.320 29.700 -0.069 0.000 0.752 693 E HN 0.614 nan 8.360 nan 0.000 0.447 694 Y N 0.718 120.892 120.300 -0.210 0.000 2.002 694 Y HA -0.393 4.156 4.550 -0.001 0.000 0.268 694 Y C 2.039 177.744 175.900 -0.325 0.000 1.177 694 Y CA 2.197 60.120 58.100 -0.294 0.000 1.111 694 Y CB -0.715 37.513 38.460 -0.387 0.000 0.952 694 Y HN 0.097 nan 8.280 nan 0.000 0.491 695 Y N 0.300 120.598 120.300 -0.003 0.000 2.333 695 Y HA -0.301 4.248 4.550 -0.001 0.000 0.290 695 Y C 2.733 178.372 175.900 -0.435 0.000 1.144 695 Y CA 1.357 59.372 58.100 -0.142 0.000 1.228 695 Y CB -0.540 37.962 38.460 0.070 0.000 0.985 695 Y HN 0.407 nan 8.280 nan 0.000 0.542 696 Q N 0.508 119.996 119.800 -0.520 0.000 2.020 696 Q HA -0.106 4.233 4.340 -0.001 0.000 0.202 696 Q C 2.490 178.151 176.000 -0.566 0.000 0.982 696 Q CA 2.092 57.389 55.803 -0.843 0.000 0.838 696 Q CB -1.079 27.200 28.738 -0.765 0.000 0.899 696 Q HN 0.333 nan 8.270 nan 0.000 0.423 697 G N 1.421 109.932 108.800 -0.482 0.000 2.513 697 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.219 697 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.219 697 G C 1.497 176.143 174.900 -0.423 0.000 1.160 697 G CA 1.332 46.163 45.100 -0.449 0.000 0.767 697 G HN 0.423 nan 8.290 nan 0.000 0.571 698 I N -0.831 119.475 120.570 -0.441 0.000 2.052 698 I HA -0.249 3.921 4.170 -0.001 0.000 0.235 698 I C 2.442 178.429 176.117 -0.216 0.000 1.046 698 I CA 1.812 62.917 61.300 -0.326 0.000 1.308 698 I CB -0.516 37.308 38.000 -0.292 0.000 1.031 698 I HN 0.233 nan 8.210 nan 0.000 0.395 699 Y N 1.597 121.736 120.300 -0.269 0.000 2.298 699 Y HA -0.286 4.264 4.550 -0.001 0.000 0.287 699 Y C 2.410 178.172 175.900 -0.229 0.000 1.164 699 Y CA 1.344 59.338 58.100 -0.177 0.000 1.229 699 Y CB -0.237 38.156 38.460 -0.112 0.000 0.977 699 Y HN 0.189 nan 8.280 nan 0.000 0.538 700 A N -0.058 122.534 122.820 -0.381 0.000 2.015 700 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 700 A C 2.126 179.538 177.584 -0.286 0.000 1.163 700 A CA 1.630 53.314 52.037 -0.588 0.000 0.646 700 A CB -0.274 18.214 19.000 -0.853 0.000 0.806 700 A HN 0.537 nan 8.150 nan 0.000 0.448 701 R N -2.847 117.496 120.500 -0.261 0.000 2.446 701 R HA 0.213 4.552 4.340 -0.001 0.000 0.254 701 R C 0.875 177.081 176.300 -0.157 0.000 0.918 701 R CA 0.513 56.508 56.100 -0.176 0.000 1.069 701 R CB 0.266 30.462 30.300 -0.172 0.000 1.194 701 R HN 0.516 nan 8.270 nan 0.000 0.534 702 C N -0.954 118.221 119.300 -0.208 0.000 3.095 702 C HA 0.267 4.727 4.460 -0.001 0.000 0.472 702 C C 1.436 176.288 174.990 -0.230 0.000 1.348 702 C CA -0.490 58.427 59.018 -0.168 0.000 2.206 702 C CB 0.179 27.840 27.740 -0.131 0.000 3.088 702 C HN 0.489 nan 8.230 nan 0.000 0.599 703 G N 2.073 110.582 108.800 -0.485 0.000 2.472 703 G HA2 0.425 4.384 3.960 -0.001 0.000 0.291 703 G HA3 0.425 4.384 3.960 -0.001 0.000 0.291 703 G C 0.426 175.128 174.900 -0.330 0.000 0.898 703 G CA 0.768 45.424 45.100 -0.740 0.000 1.645 703 G HN 0.677 nan 8.290 nan 0.000 0.459 704 A N 3.493 126.230 122.820 -0.139 0.000 2.327 704 A HA 0.510 4.830 4.320 -0.001 0.000 0.255 704 A C 1.131 178.722 177.584 0.012 0.000 1.099 704 A CA -0.590 51.425 52.037 -0.036 0.000 0.801 704 A CB 0.289 19.293 19.000 0.006 0.000 1.062 704 A HN 0.774 nan 8.150 nan 0.000 0.496 705 R N -0.422 120.105 120.500 0.044 0.000 2.566 705 R HA 0.190 4.529 4.340 -0.001 0.000 0.273 705 R C 1.382 177.732 176.300 0.084 0.000 0.981 705 R CA 1.678 57.826 56.100 0.079 0.000 1.091 705 R CB -0.286 30.055 30.300 0.069 0.000 0.924 705 R HN 1.702 nan 8.270 nan 0.000 0.411 706 G N 1.990 110.857 108.800 0.112 0.000 2.253 706 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.251 706 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.251 706 G C 0.114 175.087 174.900 0.123 0.000 0.998 706 G CA 0.427 45.587 45.100 0.100 0.000 0.621 706 G HN 0.854 nan 8.290 nan 0.000 0.524 707 S N -0.583 115.211 115.700 0.156 0.000 2.608 707 S HA 0.646 5.116 4.470 -0.001 0.000 0.261 707 S C -0.139 174.673 174.600 0.354 0.000 1.314 707 S CA 0.834 59.160 58.200 0.210 0.000 0.992 707 S CB 1.972 65.281 63.200 0.181 0.000 0.935 707 S HN 1.121 nan 8.310 nan 0.000 0.564 708 Q N 0.223 120.233 119.800 0.350 0.000 2.352 708 Q HA 0.506 4.845 4.340 -0.001 0.000 0.270 708 Q C -2.163 173.969 176.000 0.220 0.000 1.006 708 Q CA -0.543 55.416 55.803 0.259 0.000 0.880 708 Q CB 1.570 30.436 28.738 0.214 0.000 1.392 708 Q HN 0.834 nan 8.270 nan 0.000 0.401 709 L N 4.014 125.247 121.223 0.016 0.000 2.341 709 L HA 0.712 5.051 4.340 -0.001 0.000 0.278 709 L C -1.381 175.508 176.870 0.032 0.000 1.005 709 L CA -0.869 54.036 54.840 0.108 0.000 0.818 709 L CB 1.948 44.122 42.059 0.192 0.000 1.259 709 L HN 0.522 nan 8.230 nan 0.000 0.418 710 V N 5.583 125.530 119.914 0.055 0.000 2.357 710 V HA 0.314 4.434 4.120 -0.001 0.000 0.281 710 V C -0.021 176.027 176.094 -0.078 0.000 1.015 710 V CA -0.560 61.708 62.300 -0.053 0.000 0.827 710 V CB 1.810 33.600 31.823 -0.055 0.000 1.018 710 V HN 0.477 nan 8.190 nan 0.000 0.432 711 V N 4.848 124.680 119.914 -0.137 0.000 2.743 711 V HA 0.758 4.878 4.120 -0.001 0.000 0.301 711 V C -0.078 175.993 176.094 -0.038 0.000 1.057 711 V CA -0.604 61.598 62.300 -0.163 0.000 1.006 711 V CB 1.929 33.601 31.823 -0.251 0.000 1.024 711 V HN 0.521 nan 8.190 nan 0.000 0.473 712 V N 3.431 123.370 119.914 0.042 0.000 2.950 712 V HA 0.378 4.497 4.120 -0.001 0.000 0.295 712 V C -2.718 173.576 176.094 0.334 0.000 1.297 712 V CA -1.155 61.264 62.300 0.198 0.000 0.962 712 V CB 2.976 34.899 31.823 0.166 0.000 1.081 712 V HN 0.798 nan 8.190 nan 0.000 0.432 713 P HA 0.595 nan 4.420 nan 0.000 0.277 713 P C -1.287 176.267 177.300 0.423 0.000 1.240 713 P CA -0.193 63.143 63.100 0.394 0.000 0.798 713 P CB 0.664 32.429 31.700 0.108 0.000 0.979 714 F N 0.446 120.487 119.950 0.151 0.000 2.725 714 F HA 0.344 4.871 4.527 -0.001 0.000 0.311 714 F C -2.128 173.706 175.800 0.057 0.000 1.121 714 F CA -0.596 57.476 58.000 0.120 0.000 0.978 714 F CB 1.428 40.482 39.000 0.091 0.000 1.274 714 F HN 0.331 nan 8.300 nan 0.000 0.440 715 N N 5.285 123.457 118.700 -0.880 0.000 2.540 715 N HA 0.151 4.891 4.740 -0.001 0.000 0.275 715 N C -0.306 174.614 175.510 -0.982 0.000 1.053 715 N CA -0.299 52.347 53.050 -0.672 0.000 0.876 715 N CB 1.935 40.211 38.487 -0.352 0.000 1.284 715 N HN 0.979 nan 8.380 nan 0.000 0.518 716 Q N 2.427 121.815 119.800 -0.686 0.000 2.437 716 Q HA -0.007 4.332 4.340 -0.001 0.000 0.210 716 Q C 1.532 177.395 176.000 -0.228 0.000 0.972 716 Q CA 1.131 56.727 55.803 -0.345 0.000 0.903 716 Q CB 0.044 28.849 28.738 0.111 0.000 0.967 716 Q HN 0.823 nan 8.270 nan 0.000 0.486 717 G N -0.229 108.420 108.800 -0.252 0.000 2.776 717 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.209 717 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.209 717 G C 0.239 174.995 174.900 -0.240 0.000 1.145 717 G CA 0.407 45.377 45.100 -0.217 0.000 0.791 717 G HN 0.228 nan 8.290 nan 0.000 0.530 718 S N -0.265 115.274 115.700 -0.268 0.000 2.594 718 S HA 0.318 4.787 4.470 -0.001 0.000 0.322 718 S C 1.195 175.698 174.600 -0.163 0.000 1.085 718 S CA -0.558 57.508 58.200 -0.224 0.000 1.116 718 S CB 1.362 64.415 63.200 -0.244 0.000 0.979 718 S HN 0.294 nan 8.310 nan 0.000 0.465 719 K N 3.911 124.243 120.400 -0.114 0.000 2.077 719 K HA -0.247 4.072 4.320 -0.001 0.000 0.213 719 K C 1.684 178.245 176.600 -0.064 0.000 1.051 719 K CA 2.150 58.393 56.287 -0.074 0.000 0.929 719 K CB -0.212 32.254 32.500 -0.058 0.000 0.715 719 K HN 0.804 nan 8.250 nan 0.000 0.451 720 Q N 0.135 119.890 119.800 -0.075 0.000 2.050 720 Q HA -0.181 4.158 4.340 -0.001 0.000 0.202 720 Q C 1.931 177.913 176.000 -0.029 0.000 0.980 720 Q CA 1.713 57.484 55.803 -0.052 0.000 0.840 720 Q CB -0.149 28.554 28.738 -0.059 0.000 0.898 720 Q HN 0.403 nan 8.270 nan 0.000 0.424 721 D N 0.083 120.453 120.400 -0.050 0.000 2.104 721 D HA -0.139 4.500 4.640 -0.001 0.000 0.194 721 D C 1.987 178.350 176.300 0.105 0.000 0.994 721 D CA 0.886 54.882 54.000 -0.005 0.000 0.830 721 D CB -0.240 40.425 40.800 -0.224 0.000 0.959 721 D HN -0.008 nan 8.370 nan 0.000 0.452 722 V N 0.785 120.770 119.914 0.118 0.000 2.231 722 V HA -0.292 3.827 4.120 -0.001 0.000 0.250 722 V C 2.263 178.365 176.094 0.013 0.000 1.058 722 V CA 2.095 64.502 62.300 0.179 0.000 1.022 722 V CB -0.507 31.363 31.823 0.079 0.000 0.640 722 V HN 0.233 nan 8.190 nan 0.000 0.445 723 E N -0.392 119.791 120.200 -0.028 0.000 2.150 723 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 723 E C 2.221 178.776 176.600 -0.075 0.000 0.985 723 E CA 1.120 57.483 56.400 -0.062 0.000 0.814 723 E CB -0.318 29.349 29.700 -0.055 0.000 0.752 723 E HN 0.629 nan 8.360 nan 0.000 0.466 724 A N 1.151 123.927 122.820 -0.073 0.000 1.855 724 A HA -0.135 4.184 4.320 -0.001 0.000 0.215 724 A C 2.126 179.485 177.584 -0.375 0.000 1.191 724 A CA 0.783 52.767 52.037 -0.088 0.000 0.613 724 A CB -0.687 18.352 19.000 0.066 0.000 0.829 724 A HN 0.274 nan 8.150 nan 0.000 0.442 725 L N 0.098 120.927 121.223 -0.656 0.000 1.971 725 L HA -0.218 4.122 4.340 -0.001 0.000 0.215 725 L C 2.483 179.139 176.870 -0.357 0.000 1.072 725 L CA 2.168 56.480 54.840 -0.879 0.000 0.758 725 L CB -0.437 41.242 42.059 -0.633 0.000 0.889 725 L HN 0.261 nan 8.230 nan 0.000 0.433 726 V N 0.642 120.430 119.914 -0.210 0.000 2.317 726 V HA -0.362 3.758 4.120 -0.001 0.000 0.251 726 V C 2.286 178.382 176.094 0.004 0.000 1.065 726 V CA 2.254 64.503 62.300 -0.085 0.000 1.049 726 V CB -0.952 30.794 31.823 -0.128 0.000 0.651 726 V HN 0.561 nan 8.190 nan 0.000 0.450 727 N N -0.842 117.843 118.700 -0.025 0.000 2.142 727 N HA -0.172 4.568 4.740 -0.001 0.000 0.186 727 N C 1.742 177.317 175.510 0.108 0.000 1.023 727 N CA 1.579 54.654 53.050 0.041 0.000 0.852 727 N CB -0.581 37.925 38.487 0.031 0.000 0.998 727 N HN 0.626 nan 8.380 nan 0.000 0.424 728 Y N 1.929 122.222 120.300 -0.013 0.000 2.193 728 Y HA -0.103 4.447 4.550 -0.001 0.000 0.285 728 Y C 2.113 177.969 175.900 -0.074 0.000 1.166 728 Y CA 1.257 59.370 58.100 0.020 0.000 1.181 728 Y CB -0.409 38.156 38.460 0.175 0.000 0.976 728 Y HN 0.009 nan 8.280 nan 0.000 0.520 729 I N -1.367 119.157 120.570 -0.077 0.000 2.286 729 I HA -0.348 3.822 4.170 -0.001 0.000 0.248 729 I C 1.538 177.537 176.117 -0.197 0.000 1.115 729 I CA 1.780 62.953 61.300 -0.211 0.000 1.392 729 I CB -0.507 37.516 38.000 0.038 0.000 1.065 729 I HN 0.232 nan 8.210 nan 0.000 0.418 730 Y N -0.147 120.084 120.300 -0.115 0.000 2.509 730 Y HA 0.050 4.599 4.550 -0.001 0.000 0.270 730 Y C 0.904 176.780 175.900 -0.040 0.000 1.103 730 Y CA -0.560 57.528 58.100 -0.020 0.000 1.278 730 Y CB 0.164 38.643 38.460 0.032 0.000 1.087 730 Y HN 0.040 nan 8.280 nan 0.000 0.542 731 D N 0.665 121.095 120.400 0.049 0.000 2.472 731 D HA -0.082 4.558 4.640 -0.001 0.000 0.248 731 D C 1.431 177.709 176.300 -0.037 0.000 1.174 731 D CA 0.820 54.827 54.000 0.012 0.000 0.883 731 D CB 1.108 41.911 40.800 0.005 0.000 1.149 731 D HN 0.332 nan 8.370 nan 0.000 0.488 732 T N 1.872 116.428 114.554 0.003 0.000 2.737 732 T HA -0.176 4.173 4.350 -0.001 0.000 0.265 732 T C 1.558 176.243 174.700 -0.026 0.000 1.038 732 T CA 1.189 63.287 62.100 -0.003 0.000 1.144 732 T CB -0.076 68.809 68.868 0.029 0.000 0.866 732 T HN 0.362 nan 8.240 nan 0.000 0.434 733 K N 1.052 121.443 120.400 -0.015 0.000 1.975 733 K HA 0.120 4.439 4.320 -0.001 0.000 0.210 733 K C 2.298 178.883 176.600 -0.024 0.000 1.041 733 K CA 1.452 57.731 56.287 -0.014 0.000 0.942 733 K CB -0.071 32.427 32.500 -0.003 0.000 0.729 733 K HN 0.227 nan 8.250 nan 0.000 0.439 734 N N -0.026 118.665 118.700 -0.014 0.000 2.325 734 N HA 0.059 4.798 4.740 -0.001 0.000 0.182 734 N C 0.603 176.108 175.510 -0.008 0.000 1.088 734 N CA 0.301 53.352 53.050 0.001 0.000 0.879 734 N CB 0.559 39.063 38.487 0.029 0.000 0.983 734 N HN 0.184 nan 8.380 nan 0.000 0.471 735 G N 0.502 109.247 108.800 -0.092 0.000 2.508 735 G HA2 0.340 4.299 3.960 -0.001 0.000 0.278 735 G HA3 0.340 4.299 3.960 -0.001 0.000 0.278 735 G C 0.803 175.374 174.900 -0.548 0.000 1.389 735 G CA -0.495 44.404 45.100 -0.336 0.000 1.050 735 G HN 0.234 nan 8.290 nan 0.000 0.522 736 L N -1.702 118.962 121.223 -0.932 0.000 2.741 736 L HA 0.431 4.770 4.340 -0.001 0.000 0.237 736 L C 1.167 177.658 176.870 -0.630 0.000 1.178 736 L CA 0.359 54.708 54.840 -0.819 0.000 0.973 736 L CB -0.415 40.952 42.059 -1.152 0.000 1.255 736 L HN 0.816 nan 8.230 nan 0.000 0.498 737 G N 0.758 109.323 108.800 -0.391 0.000 2.424 737 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.290 737 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.290 737 G C -0.180 174.685 174.900 -0.059 0.000 0.912 737 G CA 0.406 45.410 45.100 -0.161 0.000 1.142 737 G HN 0.556 nan 8.290 nan 0.000 0.501 738 W N -0.749 120.287 121.300 -0.441 0.000 2.380 738 W HA 0.725 5.384 4.660 -0.001 0.000 0.441 738 W C 0.277 176.373 176.519 -0.705 0.000 1.762 738 W CA -1.041 55.949 57.345 -0.592 0.000 1.905 738 W CB 0.798 29.848 29.460 -0.684 0.000 1.624 738 W HN 0.191 nan 8.180 nan 0.000 0.717 739 D N -0.151 120.057 120.400 -0.320 0.000 2.934 739 D HA 0.355 4.994 4.640 -0.001 0.000 0.230 739 D C -1.351 174.913 176.300 -0.061 0.000 1.204 739 D CA -0.432 53.340 54.000 -0.380 0.000 0.873 739 D CB 1.431 41.995 40.800 -0.394 0.000 1.645 739 D HN 0.134 nan 8.370 nan 0.000 0.502 740 L N 2.891 124.161 121.223 0.078 0.000 2.326 740 L HA 0.320 4.659 4.340 -0.001 0.000 0.278 740 L C 0.854 177.778 176.870 0.090 0.000 1.092 740 L CA -0.442 54.485 54.840 0.146 0.000 0.810 740 L CB 1.133 43.326 42.059 0.224 0.000 1.153 740 L HN 0.427 nan 8.230 nan 0.000 0.439 741 D N 1.013 121.440 120.400 0.046 0.000 2.394 741 D HA 0.078 4.718 4.640 -0.001 0.000 0.226 741 D C -0.472 175.653 176.300 -0.292 0.000 0.990 741 D CA 1.050 54.969 54.000 -0.134 0.000 0.902 741 D CB 0.534 41.235 40.800 -0.166 0.000 1.038 741 D HN 0.285 nan 8.370 nan 0.000 0.499 742 Y N -0.339 119.966 120.300 0.008 0.000 2.512 742 Y HA 0.520 5.070 4.550 -0.001 0.000 0.348 742 Y C -0.327 175.574 175.900 0.002 0.000 0.990 742 Y CA -1.044 57.050 58.100 -0.010 0.000 1.033 742 Y CB 2.506 40.915 38.460 -0.084 0.000 1.259 742 Y HN -0.434 nan 8.280 nan 0.000 0.461 743 V N 3.055 123.065 119.914 0.160 0.000 2.525 743 V HA 0.442 4.561 4.120 -0.001 0.000 0.299 743 V C -1.087 175.052 176.094 0.076 0.000 1.034 743 V CA -0.832 61.525 62.300 0.095 0.000 0.863 743 V CB 1.887 33.757 31.823 0.078 0.000 0.999 743 V HN 0.558 nan 8.190 nan 0.000 0.423 744 V N 6.819 126.748 119.914 0.024 0.000 2.315 744 V HA 0.302 4.422 4.120 -0.001 0.000 0.265 744 V C -2.447 173.715 176.094 0.115 0.000 1.019 744 V CA -1.443 60.854 62.300 -0.006 0.000 0.824 744 V CB 1.359 33.012 31.823 -0.283 0.000 1.072 744 V HN 0.731 nan 8.190 nan 0.000 0.448 745 P HA 0.226 nan 4.420 nan 0.000 0.226 745 P C 0.192 177.693 177.300 0.336 0.000 1.783 745 P CA -0.024 63.205 63.100 0.216 0.000 0.980 745 P CB -0.302 31.466 31.700 0.113 0.000 1.967 746 F N 0.383 120.342 119.950 0.013 0.000 2.676 746 F HA 0.267 4.793 4.527 -0.001 0.000 0.300 746 F C 1.436 177.261 175.800 0.042 0.000 1.160 746 F CA -1.192 56.821 58.000 0.023 0.000 1.401 746 F CB -0.917 38.095 39.000 0.020 0.000 1.037 746 F HN 0.046 nan 8.300 nan 0.000 0.522 747 A N 0.886 123.827 122.820 0.202 0.000 2.450 747 A HA 0.667 4.987 4.320 -0.001 0.000 0.255 747 A C 0.239 177.885 177.584 0.104 0.000 1.096 747 A CA 0.485 52.614 52.037 0.154 0.000 0.778 747 A CB -0.133 18.966 19.000 0.165 0.000 1.031 747 A HN 0.368 nan 8.150 nan 0.000 0.494 748 A N 2.356 125.229 122.820 0.089 0.000 2.605 748 A HA 0.666 4.985 4.320 -0.001 0.000 0.294 748 A C -0.968 176.650 177.584 0.057 0.000 1.062 748 A CA -0.445 51.636 52.037 0.075 0.000 0.682 748 A CB 0.805 19.852 19.000 0.079 0.000 1.278 748 A HN 0.752 nan 8.150 nan 0.000 0.410 749 I N 1.525 122.130 120.570 0.058 0.000 2.474 749 I HA 0.377 4.546 4.170 -0.001 0.000 0.294 749 I C -2.313 173.815 176.117 0.019 0.000 1.005 749 I CA -2.262 59.059 61.300 0.035 0.000 1.113 749 I CB 2.466 40.490 38.000 0.038 0.000 1.289 749 I HN 0.356 nan 8.210 nan 0.000 0.436 750 P HA 0.070 nan 4.420 nan 0.000 0.267 750 P C -0.445 176.836 177.300 -0.033 0.000 1.328 750 P CA -0.056 63.012 63.100 -0.053 0.000 0.990 750 P CB -0.010 31.659 31.700 -0.053 0.000 1.168 751 E N 1.101 121.282 120.200 -0.031 0.000 2.411 751 E HA 0.076 4.425 4.350 -0.001 0.000 0.204 751 E C 0.168 176.751 176.600 -0.029 0.000 1.059 751 E CA -0.719 55.678 56.400 -0.004 0.000 1.112 751 E CB -0.241 29.483 29.700 0.041 0.000 1.168 751 E HN 0.217 nan 8.360 nan 0.000 0.445 752 N N 1.403 120.066 118.700 -0.062 0.000 2.294 752 N HA -0.055 4.685 4.740 -0.001 0.000 0.248 752 N C 1.052 176.543 175.510 -0.032 0.000 1.242 752 N CA 1.929 54.938 53.050 -0.067 0.000 0.848 752 N CB 0.776 39.216 38.487 -0.078 0.000 1.084 752 N HN 0.462 nan 8.380 nan 0.000 0.457 753 G N 2.091 110.876 108.800 -0.025 0.000 2.179 753 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.220 753 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.220 753 G C -0.381 174.519 174.900 0.000 0.000 0.990 753 G CA 0.173 45.267 45.100 -0.010 0.000 0.646 753 G HN 0.795 nan 8.290 nan 0.000 0.517 754 R N 0.712 121.214 120.500 0.004 0.000 2.534 754 R HA 0.704 5.043 4.340 -0.001 0.000 0.301 754 R C -0.470 175.839 176.300 0.015 0.000 0.961 754 R CA -0.863 55.242 56.100 0.009 0.000 0.871 754 R CB 1.907 32.213 30.300 0.011 0.000 1.170 754 R HN 0.346 nan 8.270 nan 0.000 0.446 755 E N 1.711 121.919 120.200 0.013 0.000 2.330 755 E HA 0.130 4.479 4.350 -0.001 0.000 0.256 755 E C 1.242 177.847 176.600 0.009 0.000 1.146 755 E CA -0.586 55.823 56.400 0.015 0.000 0.945 755 E CB 1.195 30.903 29.700 0.014 0.000 1.182 755 E HN 0.711 nan 8.360 nan 0.000 0.480 756 I N -1.280 119.294 120.570 0.008 0.000 2.530 756 I HA -0.238 3.931 4.170 -0.001 0.000 0.257 756 I C 1.581 177.697 176.117 -0.002 0.000 1.179 756 I CA 1.260 62.560 61.300 -0.000 0.000 1.440 756 I CB -0.132 37.867 38.000 -0.001 0.000 1.087 756 I HN 0.439 nan 8.210 nan 0.000 0.440 757 D N 2.440 122.841 120.400 0.002 0.000 2.242 757 D HA -0.233 4.407 4.640 -0.001 0.000 0.190 757 D C 0.679 176.977 176.300 -0.002 0.000 1.012 757 D CA 2.135 56.136 54.000 0.000 0.000 0.875 757 D CB 0.001 40.803 40.800 0.003 0.000 0.922 757 D HN 0.665 nan 8.370 nan 0.000 0.448 758 S N -0.597 115.103 115.700 -0.001 0.000 2.479 758 S HA 0.374 4.844 4.470 -0.001 0.000 0.169 758 S C -0.523 174.077 174.600 0.000 0.000 1.181 758 S CA -0.845 57.354 58.200 -0.002 0.000 1.169 758 S CB -0.012 63.188 63.200 0.001 0.000 1.384 758 S HN 0.021 nan 8.310 nan 0.000 0.412 759 I N 4.563 125.130 120.570 -0.005 0.000 2.329 759 I HA 0.225 4.394 4.170 -0.001 0.000 0.295 759 I C 0.747 176.863 176.117 -0.001 0.000 1.109 759 I CA 0.092 61.391 61.300 -0.002 0.000 1.297 759 I CB -0.037 37.956 38.000 -0.012 0.000 1.433 759 I HN 0.660 nan 8.210 nan 0.000 0.509 760 D N 3.045 123.452 120.400 0.012 0.000 2.496 760 D HA 0.148 4.787 4.640 -0.001 0.000 0.283 760 D C 1.304 177.624 176.300 0.032 0.000 1.214 760 D CA -0.466 53.543 54.000 0.015 0.000 1.089 760 D CB 0.146 40.960 40.800 0.022 0.000 1.141 760 D HN 0.218 nan 8.370 nan 0.000 0.580 761 S N -1.020 114.709 115.700 0.049 0.000 2.353 761 S HA -0.218 4.251 4.470 -0.001 0.000 0.222 761 S C 1.744 176.434 174.600 0.150 0.000 1.035 761 S CA 1.940 60.201 58.200 0.101 0.000 1.025 761 S CB -0.470 62.801 63.200 0.119 0.000 0.902 761 S HN 0.531 nan 8.310 nan 0.000 0.440 762 K N 0.374 120.838 120.400 0.107 0.000 2.044 762 K HA -0.101 4.219 4.320 -0.001 0.000 0.210 762 K C 2.235 178.903 176.600 0.113 0.000 1.049 762 K CA 1.811 58.158 56.287 0.100 0.000 0.927 762 K CB -0.356 32.181 32.500 0.062 0.000 0.713 762 K HN 0.369 nan 8.250 nan 0.000 0.443 763 S N 0.717 116.474 115.700 0.094 0.000 2.356 763 S HA -0.201 4.269 4.470 -0.001 0.000 0.223 763 S C 1.834 176.521 174.600 0.145 0.000 1.032 763 S CA 1.632 59.890 58.200 0.096 0.000 1.005 763 S CB -0.316 62.918 63.200 0.057 0.000 0.867 763 S HN 0.450 nan 8.310 nan 0.000 0.449 764 E N 0.690 120.979 120.200 0.149 0.000 2.077 764 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 764 E C 2.047 178.843 176.600 0.326 0.000 0.989 764 E CA 0.947 57.464 56.400 0.195 0.000 0.800 764 E CB -0.174 29.567 29.700 0.067 0.000 0.746 764 E HN 0.341 nan 8.360 nan 0.000 0.452 765 L N 0.722 122.172 121.223 0.379 0.000 1.994 765 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 765 L C 2.266 179.221 176.870 0.141 0.000 1.071 765 L CA 2.313 57.316 54.840 0.272 0.000 0.745 765 L CB -0.888 41.260 42.059 0.148 0.000 0.892 765 L HN 0.160 nan 8.230 nan 0.000 0.431 766 A N -1.377 121.527 122.820 0.140 0.000 1.883 766 A HA -0.327 3.992 4.320 -0.001 0.000 0.217 766 A C 2.432 180.111 177.584 0.158 0.000 1.186 766 A CA 1.949 54.058 52.037 0.120 0.000 0.624 766 A CB -1.330 17.742 19.000 0.120 0.000 0.822 766 A HN 0.776 nan 8.150 nan 0.000 0.444 767 H N -0.885 118.227 119.070 0.070 0.000 2.422 767 H HA -0.130 4.426 4.556 -0.001 0.000 0.298 767 H C 2.372 177.727 175.328 0.045 0.000 1.098 767 H CA 1.522 57.598 56.048 0.047 0.000 1.315 767 H CB 0.020 29.809 29.762 0.045 0.000 1.382 767 H HN 0.503 nan 8.280 nan 0.000 0.523 768 R N 0.315 120.836 120.500 0.034 0.000 2.115 768 R HA -0.068 4.272 4.340 -0.001 0.000 0.226 768 R C 2.267 178.538 176.300 -0.048 0.000 1.100 768 R CA 1.191 57.267 56.100 -0.040 0.000 0.980 768 R CB 0.028 30.365 30.300 0.063 0.000 0.875 768 R HN 0.316 nan 8.270 nan 0.000 0.445 769 I N 0.024 120.586 120.570 -0.013 0.000 2.233 769 I HA -0.212 3.957 4.170 -0.001 0.000 0.243 769 I C 2.199 178.319 176.117 0.004 0.000 1.093 769 I CA 1.270 62.564 61.300 -0.011 0.000 1.380 769 I CB -0.048 37.955 38.000 0.004 0.000 1.067 769 I HN 0.152 nan 8.210 nan 0.000 0.413 770 M N -0.764 118.848 119.600 0.020 0.000 2.558 770 M HA -0.015 4.464 4.480 -0.001 0.000 0.255 770 M C 1.431 177.720 176.300 -0.019 0.000 1.113 770 M CA 1.181 56.492 55.300 0.019 0.000 1.097 770 M CB 0.407 33.040 32.600 0.055 0.000 1.426 770 M HN 0.294 nan 8.290 nan 0.000 0.488 771 L N -2.359 118.823 121.223 -0.069 0.000 3.099 771 L HA 0.156 4.496 4.340 -0.001 0.000 0.165 771 L C 2.053 178.840 176.870 -0.138 0.000 1.151 771 L CA 0.696 55.468 54.840 -0.113 0.000 0.878 771 L CB -0.731 41.236 42.059 -0.152 0.000 1.615 771 L HN 0.158 nan 8.230 nan 0.000 0.545 772 T N -1.090 113.341 114.554 -0.205 0.000 2.665 772 T HA -0.136 4.214 4.350 -0.001 0.000 0.268 772 T C 1.538 176.183 174.700 -0.092 0.000 1.035 772 T CA 1.996 64.009 62.100 -0.145 0.000 1.151 772 T CB -0.708 68.075 68.868 -0.142 0.000 0.862 772 T HN 0.312 nan 8.240 nan 0.000 0.438 773 N N 0.809 119.464 118.700 -0.075 0.000 2.376 773 N HA 0.220 4.959 4.740 -0.001 0.000 0.177 773 N C 1.743 177.235 175.510 -0.029 0.000 1.024 773 N CA 0.244 53.267 53.050 -0.046 0.000 0.893 773 N CB -0.458 38.006 38.487 -0.038 0.000 0.980 773 N HN 0.347 nan 8.380 nan 0.000 0.439 774 L N 0.380 121.582 121.223 -0.036 0.000 2.017 774 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 774 L C 1.829 178.658 176.870 -0.068 0.000 1.073 774 L CA 1.049 55.870 54.840 -0.031 0.000 0.745 774 L CB -0.196 41.843 42.059 -0.034 0.000 0.894 774 L HN 0.115 nan 8.230 nan 0.000 0.432 775 L N -0.605 120.563 121.223 -0.092 0.000 2.079 775 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 775 L C 2.805 179.587 176.870 -0.146 0.000 1.081 775 L CA 1.350 56.111 54.840 -0.132 0.000 0.752 775 L CB -0.431 41.556 42.059 -0.120 0.000 0.896 775 L HN 0.222 nan 8.230 nan 0.000 0.433 776 R N -0.536 119.900 120.500 -0.107 0.000 2.115 776 R HA -0.120 4.220 4.340 -0.001 0.000 0.230 776 R C 2.285 178.524 176.300 -0.101 0.000 1.111 776 R CA 0.978 57.016 56.100 -0.104 0.000 0.976 776 R CB -0.314 29.942 30.300 -0.074 0.000 0.870 776 R HN 0.359 nan 8.270 nan 0.000 0.445 777 L N 1.047 122.227 121.223 -0.072 0.000 2.017 777 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 777 L C 2.170 178.980 176.870 -0.100 0.000 1.073 777 L CA 1.371 56.174 54.840 -0.062 0.000 0.745 777 L CB -0.201 41.844 42.059 -0.023 0.000 0.894 777 L HN 0.200 nan 8.230 nan 0.000 0.432 778 L N -0.832 120.318 121.223 -0.123 0.000 1.989 778 L HA -0.178 4.162 4.340 -0.001 0.000 0.211 778 L C 2.685 179.420 176.870 -0.225 0.000 1.071 778 L CA 1.511 56.252 54.840 -0.165 0.000 0.749 778 L CB -1.671 40.253 42.059 -0.225 0.000 0.890 778 L HN 0.380 nan 8.230 nan 0.000 0.431 779 G N -0.093 108.548 108.800 -0.266 0.000 2.513 779 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.219 779 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.219 779 G C 1.762 176.530 174.900 -0.219 0.000 1.160 779 G CA 1.254 46.189 45.100 -0.274 0.000 0.767 779 G HN 0.502 nan 8.290 nan 0.000 0.571 780 A N 1.113 123.824 122.820 -0.183 0.000 1.851 780 A HA -0.072 4.247 4.320 -0.001 0.000 0.216 780 A C 2.430 179.869 177.584 -0.242 0.000 1.195 780 A CA 1.695 53.620 52.037 -0.186 0.000 0.622 780 A CB -0.511 18.399 19.000 -0.150 0.000 0.831 780 A HN 0.413 nan 8.150 nan 0.000 0.444 781 I N -0.339 120.105 120.570 -0.211 0.000 2.145 781 I HA -0.336 3.833 4.170 -0.001 0.000 0.244 781 I C 2.609 178.583 176.117 -0.239 0.000 1.075 781 I CA 2.018 63.181 61.300 -0.228 0.000 1.332 781 I CB -0.623 37.342 38.000 -0.059 0.000 1.033 781 I HN 0.381 nan 8.210 nan 0.000 0.410 782 K N 1.586 121.871 120.400 -0.190 0.000 1.978 782 K HA -0.213 4.107 4.320 -0.001 0.000 0.214 782 K C 2.118 178.487 176.600 -0.384 0.000 1.049 782 K CA 2.829 58.986 56.287 -0.217 0.000 0.939 782 K CB -0.682 31.712 32.500 -0.175 0.000 0.721 782 K HN 0.452 nan 8.250 nan 0.000 0.441 783 T N 0.925 115.283 114.554 -0.326 0.000 2.759 783 T HA -0.159 4.191 4.350 -0.001 0.000 0.269 783 T C 2.005 176.507 174.700 -0.330 0.000 1.042 783 T CA 0.994 62.906 62.100 -0.314 0.000 1.140 783 T CB -0.246 68.487 68.868 -0.226 0.000 0.864 783 T HN 0.181 nan 8.240 nan 0.000 0.455 784 Q N 1.620 121.194 119.800 -0.378 0.000 2.014 784 Q HA -0.115 4.224 4.340 -0.001 0.000 0.207 784 Q C 2.383 178.178 176.000 -0.342 0.000 0.993 784 Q CA 1.843 57.367 55.803 -0.465 0.000 0.850 784 Q CB -0.387 27.776 28.738 -0.958 0.000 0.916 784 Q HN 0.618 nan 8.270 nan 0.000 0.417 785 K N 0.474 120.729 120.400 -0.242 0.000 2.009 785 K HA -0.187 4.133 4.320 -0.001 0.000 0.210 785 K C 2.176 178.666 176.600 -0.183 0.000 1.049 785 K CA 1.524 57.814 56.287 0.004 0.000 0.929 785 K CB -0.214 32.406 32.500 0.200 0.000 0.714 785 K HN 0.085 nan 8.250 nan 0.000 0.440 786 K N 1.414 121.519 120.400 -0.492 0.000 2.020 786 K HA -0.245 4.074 4.320 -0.001 0.000 0.212 786 K C 1.887 178.370 176.600 -0.196 0.000 1.050 786 K CA 1.977 57.995 56.287 -0.449 0.000 0.929 786 K CB 0.020 32.191 32.500 -0.547 0.000 0.714 786 K HN 0.178 nan 8.250 nan 0.000 0.443 787 E N -0.130 119.935 120.200 -0.224 0.000 2.072 787 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 787 E C 1.900 178.378 176.600 -0.203 0.000 0.985 787 E CA 0.965 57.260 56.400 -0.175 0.000 0.801 787 E CB 0.038 29.635 29.700 -0.171 0.000 0.750 787 E HN 0.261 nan 8.360 nan 0.000 0.452 788 R N -0.308 119.995 120.500 -0.328 0.000 2.328 788 R HA 0.039 4.378 4.340 -0.001 0.000 0.200 788 R C 1.006 176.985 176.300 -0.534 0.000 0.983 788 R CA 0.463 56.234 56.100 -0.549 0.000 1.062 788 R CB 0.233 29.937 30.300 -0.994 0.000 0.956 788 R HN 0.272 nan 8.270 nan 0.000 0.479 789 G N 0.456 109.126 108.800 -0.216 0.000 2.168 789 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.263 789 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.263 789 G C -0.311 174.694 174.900 0.176 0.000 0.977 789 G CA -0.056 45.040 45.100 -0.007 0.000 0.659 789 G HN 0.303 nan 8.290 nan 0.000 0.533 790 Y N 0.791 121.185 120.300 0.155 0.000 2.576 790 Y HA 0.446 4.996 4.550 -0.001 0.000 0.348 790 Y C 1.428 177.473 175.900 0.242 0.000 1.212 790 Y CA -0.328 57.880 58.100 0.181 0.000 1.683 790 Y CB 0.253 38.838 38.460 0.208 0.000 1.484 790 Y HN 0.368 nan 8.280 nan 0.000 0.477 791 E N 0.833 121.220 120.200 0.312 0.000 2.251 791 E HA -0.036 4.313 4.350 -0.001 0.000 0.194 791 E C 1.475 178.120 176.600 0.075 0.000 0.964 791 E CA 0.824 57.337 56.400 0.188 0.000 0.868 791 E CB 0.390 30.165 29.700 0.124 0.000 0.828 791 E HN 0.476 nan 8.360 nan 0.000 0.481 792 T N -1.919 112.692 114.554 0.094 0.000 3.243 792 T HA 0.320 4.670 4.350 -0.001 0.000 0.264 792 T C 0.665 175.392 174.700 0.046 0.000 1.000 792 T CA -0.520 61.609 62.100 0.048 0.000 0.901 792 T CB 0.049 68.942 68.868 0.042 0.000 1.083 792 T HN -0.134 nan 8.240 nan 0.000 0.559 793 R N 1.608 122.151 120.500 0.073 0.000 2.638 793 R HA 0.303 4.642 4.340 -0.001 0.000 0.261 793 R C -3.098 173.252 176.300 0.083 0.000 1.515 793 R CA -1.541 54.588 56.100 0.049 0.000 1.623 793 R CB 0.737 31.043 30.300 0.010 0.000 1.347 793 R HN 0.248 nan 8.270 nan 0.000 0.705 794 P HA -0.044 nan 4.420 nan 0.000 0.266 794 P C -0.920 176.434 177.300 0.090 0.000 1.193 794 P CA 0.297 63.473 63.100 0.126 0.000 0.770 794 P CB 0.752 32.526 31.700 0.124 0.000 0.836 795 A N 2.438 125.338 122.820 0.133 0.000 2.276 795 A HA 0.274 4.593 4.320 -0.001 0.000 0.316 795 A C -0.112 177.514 177.584 0.069 0.000 1.229 795 A CA -0.530 51.551 52.037 0.073 0.000 0.851 795 A CB 0.259 19.336 19.000 0.128 0.000 1.165 795 A HN 0.530 nan 8.150 nan 0.000 0.513 796 Q N 2.288 122.066 119.800 -0.036 0.000 2.307 796 Q HA 0.396 4.735 4.340 -0.001 0.000 0.259 796 Q C -1.125 174.921 176.000 0.076 0.000 0.998 796 Q CA -0.113 55.693 55.803 0.006 0.000 0.923 796 Q CB 0.718 29.408 28.738 -0.080 0.000 1.196 796 Q HN 0.536 nan 8.270 nan 0.000 0.416 797 V N 6.291 126.262 119.914 0.094 0.000 2.364 797 V HA 0.181 4.300 4.120 -0.001 0.000 0.272 797 V C 0.235 176.370 176.094 0.068 0.000 1.036 797 V CA -0.575 61.777 62.300 0.087 0.000 0.880 797 V CB 1.182 33.053 31.823 0.080 0.000 0.991 797 V HN 0.695 nan 8.190 nan 0.000 0.460 798 I N 5.858 126.488 120.570 0.100 0.000 2.213 798 I HA 0.141 4.311 4.170 -0.001 0.000 0.295 798 I C 0.312 176.497 176.117 0.112 0.000 1.172 798 I CA -0.285 61.082 61.300 0.112 0.000 1.443 798 I CB 0.103 38.202 38.000 0.166 0.000 1.491 798 I HN 0.379 nan 8.210 nan 0.000 0.652 799 L N 7.349 128.561 121.223 -0.019 0.000 2.654 799 L HA 0.052 4.391 4.340 -0.001 0.000 0.271 799 L C -1.871 174.903 176.870 -0.159 0.000 1.169 799 L CA -0.662 54.113 54.840 -0.109 0.000 0.947 799 L CB -0.148 41.772 42.059 -0.232 0.000 1.232 799 L HN 0.172 nan 8.230 nan 0.000 0.486 800 P HA 0.220 nan 4.420 nan 0.000 0.268 800 P C -0.239 176.900 177.300 -0.269 0.000 1.541 800 P CA -0.130 62.749 63.100 -0.368 0.000 1.093 800 P CB 0.268 31.522 31.700 -0.742 0.000 1.551 801 L N 0.663 121.751 121.223 -0.226 0.000 2.469 801 L HA 0.597 4.936 4.340 -0.001 0.000 0.253 801 L C 0.927 177.730 176.870 -0.112 0.000 1.143 801 L CA -0.487 54.250 54.840 -0.171 0.000 0.804 801 L CB 0.487 42.429 42.059 -0.195 0.000 1.214 801 L HN 0.182 nan 8.230 nan 0.000 0.476 802 S N -1.352 114.329 115.700 -0.031 0.000 2.570 802 S HA 0.505 4.974 4.470 -0.001 0.000 0.286 802 S C -2.145 172.372 174.600 -0.139 0.000 1.099 802 S CA -1.290 56.892 58.200 -0.029 0.000 0.913 802 S CB 1.899 65.113 63.200 0.024 0.000 1.085 802 S HN 0.303 nan 8.310 nan 0.000 0.480 803 P HA 0.037 nan 4.420 nan 0.000 0.220 803 P C -0.148 177.033 177.300 -0.199 0.000 1.152 803 P CA 0.520 63.534 63.100 -0.143 0.000 0.812 803 P CB -0.062 31.662 31.700 0.039 0.000 0.792 804 N N 0.663 119.344 118.700 -0.033 0.000 2.402 804 N HA -0.045 4.694 4.740 -0.001 0.000 0.259 804 N C -0.689 174.892 175.510 0.118 0.000 1.167 804 N CA 0.249 53.369 53.050 0.117 0.000 0.949 804 N CB -0.894 37.732 38.487 0.232 0.000 1.212 804 N HN 0.232 nan 8.380 nan 0.000 0.493 805 H N 2.446 121.591 119.070 0.124 0.000 2.421 805 H HA 0.322 4.878 4.556 -0.001 0.000 0.241 805 H C 0.848 176.227 175.328 0.084 0.000 1.428 805 H CA -0.269 55.827 56.048 0.080 0.000 1.136 805 H CB 0.375 30.178 29.762 0.068 0.000 1.612 805 H HN 0.832 nan 8.280 nan 0.000 0.537 806 G N 0.871 109.802 108.800 0.217 0.000 2.163 806 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.213 806 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.213 806 G C 1.391 176.372 174.900 0.135 0.000 0.991 806 G CA 0.567 45.760 45.100 0.156 0.000 0.653 806 G HN 0.558 nan 8.290 nan 0.000 0.518 807 T N -2.104 112.542 114.554 0.154 0.000 2.942 807 T HA 0.370 4.720 4.350 -0.001 0.000 0.265 807 T C 1.149 175.849 174.700 -0.000 0.000 1.062 807 T CA 0.790 62.929 62.100 0.065 0.000 1.139 807 T CB -0.023 68.871 68.868 0.044 0.000 0.883 807 T HN 0.268 nan 8.240 nan 0.000 0.468 808 F N 1.183 121.148 119.950 0.025 0.000 2.380 808 F HA 0.637 5.164 4.527 -0.001 0.000 0.321 808 F C 1.843 177.647 175.800 0.006 0.000 1.103 808 F CA -0.254 57.748 58.000 0.003 0.000 1.067 808 F CB 0.667 39.654 39.000 -0.021 0.000 1.265 808 F HN 0.166 nan 8.300 nan 0.000 0.517 809 G N 0.558 109.483 108.800 0.209 0.000 2.529 809 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.167 809 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.167 809 G C 0.400 175.356 174.900 0.094 0.000 1.615 809 G CA 0.067 45.234 45.100 0.112 0.000 0.885 809 G HN 0.580 nan 8.290 nan 0.000 0.394 810 N N 1.724 120.459 118.700 0.060 0.000 2.906 810 N HA 0.091 4.831 4.740 -0.001 0.000 0.282 810 N C 0.696 176.217 175.510 0.019 0.000 1.293 810 N CA 0.009 53.079 53.050 0.032 0.000 1.059 810 N CB 0.408 38.904 38.487 0.014 0.000 1.388 810 N HN 0.284 nan 8.380 nan 0.000 0.533 811 D N 0.871 121.299 120.400 0.047 0.000 2.133 811 D HA -0.117 4.522 4.640 -0.001 0.000 0.195 811 D C 1.044 177.384 176.300 0.067 0.000 0.997 811 D CA 1.133 55.168 54.000 0.058 0.000 0.840 811 D CB -0.259 40.647 40.800 0.177 0.000 0.947 811 D HN 0.430 nan 8.370 nan 0.000 0.452 812 G N 1.910 110.743 108.800 0.056 0.000 2.330 812 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.239 812 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.239 812 G C 0.584 175.511 174.900 0.045 0.000 0.818 812 G CA 0.171 45.294 45.100 0.038 0.000 1.189 812 G HN 0.344 nan 8.290 nan 0.000 0.337 813 L N -0.976 120.251 121.223 0.007 0.000 5.051 813 L HA -0.283 4.056 4.340 -0.001 0.000 0.432 813 L C 1.762 178.619 176.870 -0.021 0.000 1.055 813 L CA 2.654 57.451 54.840 -0.071 0.000 1.095 813 L CB -2.022 39.992 42.059 -0.075 0.000 1.957 813 L HN 0.919 nan 8.230 nan 0.000 0.727 814 Y N 1.386 121.656 120.300 -0.051 0.000 2.138 814 Y HA -0.187 4.362 4.550 -0.001 0.000 0.286 814 Y C 2.478 178.367 175.900 -0.018 0.000 1.115 814 Y CA 2.472 60.554 58.100 -0.029 0.000 1.105 814 Y CB -0.351 38.090 38.460 -0.031 0.000 1.004 814 Y HN 0.340 nan 8.280 nan 0.000 0.494 815 S N 0.302 116.000 115.700 -0.003 0.000 2.380 815 S HA -0.285 4.185 4.470 -0.001 0.000 0.229 815 S C 1.689 176.207 174.600 -0.136 0.000 1.043 815 S CA 1.700 59.867 58.200 -0.054 0.000 1.038 815 S CB -0.705 62.559 63.200 0.107 0.000 0.872 815 S HN 0.506 nan 8.310 nan 0.000 0.456 816 E N 1.876 121.994 120.200 -0.136 0.000 2.085 816 E HA -0.078 4.271 4.350 -0.001 0.000 0.194 816 E C 2.458 178.959 176.600 -0.165 0.000 0.994 816 E CA 1.547 57.841 56.400 -0.176 0.000 0.801 816 E CB -0.540 28.995 29.700 -0.275 0.000 0.743 816 E HN 0.662 nan 8.360 nan 0.000 0.453 817 S N 0.608 116.206 115.700 -0.170 0.000 2.338 817 S HA -0.094 4.376 4.470 -0.001 0.000 0.218 817 S C 1.726 176.247 174.600 -0.132 0.000 1.032 817 S CA 0.883 59.077 58.200 -0.011 0.000 0.999 817 S CB -0.179 63.058 63.200 0.062 0.000 0.905 817 S HN 0.061 nan 8.310 nan 0.000 0.439 818 K N 1.181 121.409 120.400 -0.287 0.000 2.209 818 K HA 0.087 4.407 4.320 -0.001 0.000 0.204 818 K C 2.020 178.515 176.600 -0.175 0.000 1.048 818 K CA 0.626 56.753 56.287 -0.268 0.000 0.940 818 K CB -0.748 31.513 32.500 -0.398 0.000 0.729 818 K HN 0.307 nan 8.250 nan 0.000 0.451 819 L N 0.590 121.671 121.223 -0.236 0.000 2.068 819 L HA -0.004 4.335 4.340 -0.001 0.000 0.204 819 L C 2.159 178.917 176.870 -0.187 0.000 1.076 819 L CA 1.614 56.225 54.840 -0.381 0.000 0.753 819 L CB -0.612 41.182 42.059 -0.441 0.000 0.910 819 L HN 0.107 nan 8.230 nan 0.000 0.439 820 A N -0.298 122.455 122.820 -0.111 0.000 1.948 820 A HA -0.223 4.097 4.320 -0.001 0.000 0.220 820 A C 2.240 179.795 177.584 -0.049 0.000 1.177 820 A CA 2.029 54.042 52.037 -0.040 0.000 0.636 820 A CB -1.089 17.923 19.000 0.020 0.000 0.815 820 A HN 0.515 nan 8.150 nan 0.000 0.449 821 L N -0.579 120.589 121.223 -0.092 0.000 2.189 821 L HA -0.226 4.114 4.340 -0.001 0.000 0.214 821 L C 2.235 179.002 176.870 -0.172 0.000 1.097 821 L CA 1.512 56.276 54.840 -0.127 0.000 0.764 821 L CB -0.494 41.465 42.059 -0.166 0.000 0.900 821 L HN 0.509 nan 8.230 nan 0.000 0.436 822 E N -0.865 119.253 120.200 -0.138 0.000 2.482 822 E HA -0.112 4.237 4.350 -0.001 0.000 0.196 822 E C 1.898 178.545 176.600 0.078 0.000 1.047 822 E CA 1.115 57.441 56.400 -0.123 0.000 0.869 822 E CB 0.013 29.771 29.700 0.097 0.000 0.836 822 E HN 0.575 nan 8.360 nan 0.000 0.520 823 T N -1.013 113.586 114.554 0.075 0.000 3.098 823 T HA -0.028 4.322 4.350 -0.001 0.000 0.266 823 T C 1.815 176.628 174.700 0.188 0.000 1.145 823 T CA 0.345 62.538 62.100 0.155 0.000 1.092 823 T CB -0.127 68.810 68.868 0.115 0.000 0.908 823 T HN 0.098 nan 8.240 nan 0.000 0.526 824 L N -0.856 120.425 121.223 0.098 0.000 2.156 824 L HA 0.175 4.514 4.340 -0.001 0.000 0.208 824 L C 2.323 179.342 176.870 0.248 0.000 1.095 824 L CA 0.972 55.921 54.840 0.181 0.000 0.770 824 L CB -0.523 41.562 42.059 0.042 0.000 0.914 824 L HN 0.234 nan 8.230 nan 0.000 0.439 825 F N 0.479 120.559 119.950 0.217 0.000 2.192 825 F HA -0.296 4.230 4.527 -0.001 0.000 0.301 825 F C 2.034 177.998 175.800 0.273 0.000 1.079 825 F CA 1.339 59.485 58.000 0.244 0.000 1.303 825 F CB -0.168 39.077 39.000 0.408 0.000 1.024 825 F HN 0.267 nan 8.300 nan 0.000 0.494 826 N N -0.684 118.306 118.700 0.483 0.000 2.439 826 N HA 0.033 4.773 4.740 -0.001 0.000 0.176 826 N C 1.485 177.181 175.510 0.311 0.000 1.029 826 N CA 0.298 53.608 53.050 0.433 0.000 0.886 826 N CB -0.197 38.495 38.487 0.341 0.000 1.057 826 N HN 0.006 nan 8.380 nan 0.000 0.437 827 R N -0.481 120.185 120.500 0.276 0.000 2.127 827 R HA -0.150 4.190 4.340 -0.001 0.000 0.238 827 R C 1.510 177.716 176.300 -0.157 0.000 1.134 827 R CA 1.155 57.395 56.100 0.233 0.000 0.975 827 R CB -0.325 30.280 30.300 0.508 0.000 0.865 827 R HN 0.391 nan 8.270 nan 0.000 0.447 828 W N 0.301 121.327 121.300 -0.457 0.000 2.364 828 W HA -0.216 4.444 4.660 -0.001 0.000 0.281 828 W C 1.120 177.204 176.519 -0.726 0.000 1.219 828 W CA 1.389 58.142 57.345 -0.986 0.000 1.220 828 W CB -0.077 28.996 29.460 -0.646 0.000 1.127 828 W HN 0.093 nan 8.180 nan 0.000 0.556 829 Y N -0.525 119.786 120.300 0.017 0.000 2.230 829 Y HA -0.168 4.381 4.550 -0.001 0.000 0.294 829 Y C 2.990 178.800 175.900 -0.150 0.000 1.120 829 Y CA 1.329 59.425 58.100 -0.007 0.000 1.129 829 Y CB -0.897 37.641 38.460 0.130 0.000 1.040 829 Y HN -0.121 nan 8.280 nan 0.000 0.519 830 S N 0.074 115.820 115.700 0.076 0.000 2.348 830 S HA -0.124 4.346 4.470 -0.001 0.000 0.221 830 S C 0.675 175.237 174.600 -0.064 0.000 1.033 830 S CA 0.634 58.847 58.200 0.022 0.000 1.010 830 S CB -0.633 62.611 63.200 0.072 0.000 0.891 830 S HN 0.337 nan 8.310 nan 0.000 0.442 831 E N 1.385 121.505 120.200 -0.133 0.000 2.342 831 E HA 0.332 4.681 4.350 -0.001 0.000 0.257 831 E C 0.123 176.518 176.600 -0.341 0.000 1.150 831 E CA 0.128 56.459 56.400 -0.114 0.000 0.926 831 E CB 0.624 30.448 29.700 0.206 0.000 1.074 831 E HN 0.512 nan 8.360 nan 0.000 0.449 832 S N 0.971 116.621 115.700 -0.082 0.000 2.582 832 S HA 0.082 4.551 4.470 -0.001 0.000 0.249 832 S C 0.071 174.714 174.600 0.071 0.000 1.072 832 S CA -0.805 57.358 58.200 -0.061 0.000 1.115 832 S CB -0.348 62.880 63.200 0.046 0.000 0.790 832 S HN 0.651 nan 8.310 nan 0.000 0.459 833 W N -0.763 120.485 121.300 -0.086 0.000 2.653 833 W HA 0.504 5.163 4.660 -0.001 0.000 0.391 833 W C 0.837 177.227 176.519 -0.215 0.000 0.962 833 W CA -0.521 56.845 57.345 0.035 0.000 1.900 833 W CB -0.917 28.577 29.460 0.058 0.000 1.176 833 W HN 0.313 nan 8.180 nan 0.000 0.582 834 G N 3.695 112.051 108.800 -0.740 0.000 2.505 834 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.220 834 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.220 834 G C 1.166 175.723 174.900 -0.572 0.000 1.145 834 G CA 1.668 45.980 45.100 -1.314 0.000 0.761 834 G HN 0.292 nan 8.290 nan 0.000 0.571 835 N N -0.900 117.536 118.700 -0.441 0.000 2.276 835 N HA 0.178 4.917 4.740 -0.001 0.000 0.212 835 N C 0.527 175.820 175.510 -0.361 0.000 1.127 835 N CA -0.099 52.753 53.050 -0.329 0.000 0.834 835 N CB -0.029 38.239 38.487 -0.365 0.000 1.014 835 N HN 0.416 nan 8.380 nan 0.000 0.491 836 Y N -0.264 120.103 120.300 0.112 0.000 2.609 836 Y HA 0.424 4.973 4.550 -0.001 0.000 0.281 836 Y C 0.182 176.201 175.900 0.198 0.000 1.132 836 Y CA -0.278 57.913 58.100 0.152 0.000 1.264 836 Y CB 0.514 39.059 38.460 0.143 0.000 1.325 836 Y HN -0.055 nan 8.280 nan 0.000 0.514 837 L N 0.641 122.135 121.223 0.451 0.000 2.365 837 L HA 0.495 4.834 4.340 -0.001 0.000 0.273 837 L C 0.012 177.251 176.870 0.615 0.000 1.000 837 L CA -0.826 54.289 54.840 0.458 0.000 0.819 837 L CB 1.580 43.937 42.059 0.496 0.000 1.284 837 L HN 0.118 nan 8.230 nan 0.000 0.418 838 T N 1.093 115.929 114.554 0.470 0.000 2.885 838 T HA 0.778 5.127 4.350 -0.001 0.000 0.285 838 T C -0.194 174.634 174.700 0.214 0.000 1.019 838 T CA -0.588 61.779 62.100 0.447 0.000 1.010 838 T CB 1.124 70.119 68.868 0.212 0.000 1.022 838 T HN 0.319 nan 8.240 nan 0.000 0.466 839 I N 2.275 122.847 120.570 0.004 0.000 2.339 839 I HA 0.383 4.553 4.170 -0.001 0.000 0.290 839 I C -0.052 176.023 176.117 -0.070 0.000 0.994 839 I CA -0.863 60.437 61.300 -0.001 0.000 1.191 839 I CB 1.468 39.484 38.000 0.026 0.000 1.343 839 I HN 0.829 nan 8.210 nan 0.000 0.458 840 C N 5.961 125.235 119.300 -0.044 0.000 2.409 840 C HA 0.552 5.012 4.460 -0.001 0.000 0.297 840 C C 0.989 175.923 174.990 -0.093 0.000 1.083 840 C CA -0.554 58.439 59.018 -0.041 0.000 1.515 840 C CB -0.769 26.959 27.740 -0.020 0.000 1.869 840 C HN 0.965 nan 8.230 nan 0.000 0.413 841 G N 4.924 113.659 108.800 -0.108 0.000 2.778 841 G HA2 0.448 4.407 3.960 -0.001 0.000 0.287 841 G HA3 0.448 4.407 3.960 -0.001 0.000 0.287 841 G C 0.595 175.322 174.900 -0.288 0.000 0.747 841 G CA 0.316 45.251 45.100 -0.275 0.000 1.961 841 G HN 1.377 nan 8.290 nan 0.000 0.539 842 A N 2.567 125.265 122.820 -0.202 0.000 2.395 842 A HA 0.405 4.725 4.320 -0.001 0.000 0.286 842 A C 0.531 177.996 177.584 -0.197 0.000 1.193 842 A CA -0.341 51.595 52.037 -0.168 0.000 0.852 842 A CB 0.751 19.709 19.000 -0.070 0.000 1.118 842 A HN 1.282 nan 8.150 nan 0.000 0.524 843 V N 6.105 125.896 119.914 -0.204 0.000 2.322 843 V HA 0.386 4.505 4.120 -0.001 0.000 0.258 843 V C -0.204 175.843 176.094 -0.080 0.000 1.074 843 V CA -0.563 61.652 62.300 -0.143 0.000 0.909 843 V CB -0.636 31.121 31.823 -0.109 0.000 1.090 843 V HN 0.581 nan 8.190 nan 0.000 0.486 844 I N 6.713 127.230 120.570 -0.088 0.000 2.588 844 I HA 0.500 4.670 4.170 -0.001 0.000 0.283 844 I C 1.207 177.314 176.117 -0.017 0.000 1.119 844 I CA 1.213 62.471 61.300 -0.070 0.000 1.419 844 I CB 0.830 38.783 38.000 -0.078 0.000 1.394 844 I HN 0.678 nan 8.210 nan 0.000 0.562 845 G N 4.460 113.255 108.800 -0.007 0.000 2.509 845 G HA2 0.230 4.189 3.960 -0.001 0.000 0.328 845 G HA3 0.230 4.189 3.960 -0.001 0.000 0.328 845 G C -1.137 173.928 174.900 0.274 0.000 1.194 845 G CA -0.647 44.544 45.100 0.151 0.000 0.967 845 G HN 0.645 nan 8.290 nan 0.000 0.488 846 W N 1.822 123.226 121.300 0.174 0.000 2.550 846 W HA -0.024 4.636 4.660 -0.001 0.000 0.361 846 W C -0.476 176.181 176.519 0.230 0.000 1.014 846 W CA 0.308 57.757 57.345 0.173 0.000 1.069 846 W CB -0.851 28.725 29.460 0.194 0.000 1.115 846 W HN 0.193 nan 8.180 nan 0.000 0.586 847 T N 7.797 122.660 114.554 0.514 0.000 2.874 847 T HA 0.188 4.537 4.350 -0.001 0.000 0.321 847 T C 1.432 176.377 174.700 0.408 0.000 1.075 847 T CA -0.656 61.696 62.100 0.420 0.000 0.966 847 T CB 0.609 69.626 68.868 0.248 0.000 1.001 847 T HN 0.455 nan 8.240 nan 0.000 0.476 848 R N 2.022 122.784 120.500 0.437 0.000 2.193 848 R HA 0.051 4.390 4.340 -0.001 0.000 0.229 848 R C 1.280 177.728 176.300 0.248 0.000 1.110 848 R CA 0.206 56.526 56.100 0.368 0.000 0.988 848 R CB -0.643 29.816 30.300 0.265 0.000 0.871 848 R HN 0.514 nan 8.270 nan 0.000 0.458 849 G N 1.764 110.695 108.800 0.219 0.000 2.257 849 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.235 849 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.235 849 G C -0.085 174.897 174.900 0.137 0.000 1.225 849 G CA 0.420 45.622 45.100 0.169 0.000 0.878 849 G HN 0.321 nan 8.290 nan 0.000 0.505 850 T N 1.595 116.218 114.554 0.116 0.000 2.642 850 T HA 0.417 4.766 4.350 -0.001 0.000 0.258 850 T C 1.148 175.883 174.700 0.057 0.000 1.022 850 T CA 1.037 63.184 62.100 0.080 0.000 1.266 850 T CB -0.528 68.382 68.868 0.070 0.000 0.987 850 T HN 1.190 nan 8.240 nan 0.000 0.518 851 G N 3.223 112.047 108.800 0.041 0.000 3.159 851 G HA2 0.349 4.308 3.960 -0.001 0.000 0.150 851 G HA3 0.349 4.308 3.960 -0.001 0.000 0.150 851 G C 0.241 175.132 174.900 -0.015 0.000 1.193 851 G CA -0.371 44.742 45.100 0.023 0.000 1.177 851 G HN 0.613 nan 8.290 nan 0.000 0.635 852 L N 0.238 121.439 121.223 -0.038 0.000 2.612 852 L HA 0.566 4.905 4.340 -0.001 0.000 0.230 852 L C 1.031 177.810 176.870 -0.152 0.000 1.140 852 L CA 0.309 55.090 54.840 -0.098 0.000 0.896 852 L CB -0.069 41.918 42.059 -0.119 0.000 1.065 852 L HN 0.310 nan 8.230 nan 0.000 0.447 853 M N -1.529 118.002 119.600 -0.115 0.000 3.189 853 M HA 0.128 4.608 4.480 -0.001 0.000 0.365 853 M C 0.919 177.180 176.300 -0.066 0.000 1.447 853 M CA -0.102 55.099 55.300 -0.164 0.000 0.739 853 M CB 1.092 33.538 32.600 -0.258 0.000 1.411 853 M HN -0.043 nan 8.290 nan 0.000 0.494 854 S N 0.485 116.154 115.700 -0.052 0.000 2.345 854 S HA 0.005 4.474 4.470 -0.001 0.000 0.219 854 S C 1.828 176.404 174.600 -0.040 0.000 1.031 854 S CA 1.614 59.802 58.200 -0.020 0.000 0.984 854 S CB 0.157 63.349 63.200 -0.015 0.000 0.874 854 S HN 0.702 nan 8.310 nan 0.000 0.451 855 A N 1.518 124.307 122.820 -0.052 0.000 2.209 855 A HA 0.060 4.379 4.320 -0.001 0.000 0.212 855 A C 1.265 178.825 177.584 -0.040 0.000 1.158 855 A CA 0.708 52.716 52.037 -0.048 0.000 0.742 855 A CB -0.342 18.633 19.000 -0.041 0.000 0.790 855 A HN 0.380 nan 8.150 nan 0.000 0.472 856 N N 0.851 119.531 118.700 -0.033 0.000 2.421 856 N HA -0.004 4.735 4.740 -0.001 0.000 0.201 856 N C 0.466 176.109 175.510 0.221 0.000 1.198 856 N CA 0.200 53.282 53.050 0.053 0.000 0.838 856 N CB -0.046 38.351 38.487 -0.151 0.000 1.011 856 N HN 0.413 nan 8.380 nan 0.000 0.463 857 N N -0.137 118.541 118.700 -0.038 0.000 2.409 857 N HA 0.149 4.888 4.740 -0.001 0.000 0.174 857 N C 1.652 176.898 175.510 -0.439 0.000 1.037 857 N CA 0.102 52.946 53.050 -0.343 0.000 0.898 857 N CB 0.171 38.163 38.487 -0.825 0.000 1.010 857 N HN 0.217 nan 8.380 nan 0.000 0.445 858 L N 0.179 121.266 121.223 -0.227 0.000 2.042 858 L HA -0.078 4.261 4.340 -0.001 0.000 0.210 858 L C 1.398 178.267 176.870 -0.001 0.000 1.076 858 L CA 0.981 55.764 54.840 -0.095 0.000 0.749 858 L CB -0.259 41.783 42.059 -0.028 0.000 0.893 858 L HN -0.025 nan 8.230 nan 0.000 0.432 859 V N -0.576 119.378 119.914 0.067 0.000 3.649 859 V HA 0.089 4.208 4.120 -0.001 0.000 0.275 859 V C 2.235 178.391 176.094 0.103 0.000 1.281 859 V CA 0.721 63.099 62.300 0.130 0.000 1.143 859 V CB -0.284 31.669 31.823 0.216 0.000 0.892 859 V HN 0.348 nan 8.190 nan 0.000 0.441 860 A N 1.959 124.794 122.820 0.025 0.000 1.851 860 A HA -0.259 4.060 4.320 -0.001 0.000 0.216 860 A C 2.255 179.696 177.584 -0.238 0.000 1.195 860 A CA 2.091 54.001 52.037 -0.213 0.000 0.622 860 A CB -0.387 18.538 19.000 -0.125 0.000 0.831 860 A HN 0.736 nan 8.150 nan 0.000 0.444 861 E N -0.545 119.614 120.200 -0.068 0.000 2.150 861 E HA 0.028 4.378 4.350 -0.001 0.000 0.193 861 E C 1.922 178.486 176.600 -0.061 0.000 0.985 861 E CA 1.054 57.418 56.400 -0.061 0.000 0.814 861 E CB -0.757 28.948 29.700 0.009 0.000 0.752 861 E HN 0.397 nan 8.360 nan 0.000 0.466 862 G N 1.590 110.375 108.800 -0.024 0.000 2.459 862 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 862 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 862 G C 1.732 176.627 174.900 -0.008 0.000 1.183 862 G CA 1.338 46.439 45.100 0.001 0.000 0.776 862 G HN 0.232 nan 8.290 nan 0.000 0.552 863 V N 0.589 120.491 119.914 -0.020 0.000 2.490 863 V HA -0.136 3.983 4.120 -0.001 0.000 0.250 863 V C 2.524 178.581 176.094 -0.061 0.000 1.061 863 V CA 2.088 64.387 62.300 -0.002 0.000 1.064 863 V CB -0.346 31.491 31.823 0.024 0.000 0.670 863 V HN 0.500 nan 8.190 nan 0.000 0.461 864 E N -0.118 119.993 120.200 -0.148 0.000 2.208 864 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 864 E C 2.245 178.797 176.600 -0.081 0.000 0.988 864 E CA 0.605 56.912 56.400 -0.155 0.000 0.828 864 E CB 0.001 29.569 29.700 -0.220 0.000 0.763 864 E HN 0.529 nan 8.360 nan 0.000 0.478 865 K N 0.252 120.621 120.400 -0.052 0.000 2.127 865 K HA -0.140 4.179 4.320 -0.001 0.000 0.208 865 K C 1.497 178.093 176.600 -0.005 0.000 1.047 865 K CA 0.944 57.216 56.287 -0.025 0.000 0.927 865 K CB -0.077 32.417 32.500 -0.009 0.000 0.716 865 K HN 0.222 nan 8.250 nan 0.000 0.450 866 L N 0.338 121.567 121.223 0.010 0.000 2.762 866 L HA 0.044 4.383 4.340 -0.001 0.000 0.250 866 L C 0.826 177.720 176.870 0.041 0.000 1.160 866 L CA 0.420 55.280 54.840 0.033 0.000 0.951 866 L CB -0.688 41.405 42.059 0.056 0.000 1.148 866 L HN 0.456 nan 8.230 nan 0.000 0.424 867 G N 0.120 108.937 108.800 0.028 0.000 2.149 867 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.235 867 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.235 867 G C -0.215 174.757 174.900 0.120 0.000 1.018 867 G CA 0.274 45.405 45.100 0.051 0.000 0.728 867 G HN 0.247 nan 8.290 nan 0.000 0.508 868 V N -0.906 119.051 119.914 0.071 0.000 3.155 868 V HA 0.973 5.092 4.120 -0.001 0.000 0.313 868 V C -0.173 175.834 176.094 -0.144 0.000 1.162 868 V CA -0.893 61.480 62.300 0.122 0.000 1.048 868 V CB 2.094 34.021 31.823 0.173 0.000 1.092 868 V HN 0.771 nan 8.190 nan 0.000 0.447 869 R N 1.284 121.615 120.500 -0.281 0.000 2.561 869 R HA 0.712 5.051 4.340 -0.001 0.000 0.297 869 R C -0.674 175.329 176.300 -0.495 0.000 0.969 869 R CA 0.309 56.086 56.100 -0.538 0.000 0.879 869 R CB 1.837 31.561 30.300 -0.959 0.000 1.178 869 R HN 0.989 nan 8.270 nan 0.000 0.445 870 T N 0.528 114.763 114.554 -0.531 0.000 2.945 870 T HA 0.659 5.008 4.350 -0.001 0.000 0.286 870 T C -0.567 173.865 174.700 -0.447 0.000 1.025 870 T CA -0.522 61.322 62.100 -0.427 0.000 1.039 870 T CB 0.744 69.219 68.868 -0.655 0.000 1.068 870 T HN 0.273 nan 8.240 nan 0.000 0.497 871 F N 0.924 120.881 119.950 0.012 0.000 2.538 871 F HA 0.629 5.155 4.527 -0.001 0.000 0.325 871 F C 1.044 176.885 175.800 0.069 0.000 1.066 871 F CA -0.928 57.108 58.000 0.060 0.000 0.946 871 F CB 2.051 41.136 39.000 0.142 0.000 1.199 871 F HN 0.892 nan 8.300 nan 0.000 0.473 872 S N 0.620 116.453 115.700 0.222 0.000 2.669 872 S HA 0.236 4.705 4.470 -0.001 0.000 0.270 872 S C 0.606 175.336 174.600 0.216 0.000 1.225 872 S CA -0.611 57.694 58.200 0.174 0.000 0.991 872 S CB 1.154 64.409 63.200 0.093 0.000 0.987 872 S HN 0.746 nan 8.310 nan 0.000 0.552 873 Q N 0.662 120.569 119.800 0.179 0.000 2.046 873 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 873 Q C 2.376 178.486 176.000 0.183 0.000 0.975 873 Q CA 1.443 57.349 55.803 0.171 0.000 0.836 873 Q CB -0.405 28.415 28.738 0.136 0.000 0.896 873 Q HN 0.892 nan 8.270 nan 0.000 0.428 874 Q N 1.442 121.347 119.800 0.175 0.000 2.197 874 Q HA -0.221 4.118 4.340 -0.001 0.000 0.207 874 Q C 1.376 177.576 176.000 0.333 0.000 0.984 874 Q CA 1.642 57.569 55.803 0.207 0.000 0.869 874 Q CB -0.314 28.531 28.738 0.179 0.000 0.906 874 Q HN 0.524 nan 8.270 nan 0.000 0.426 875 E N 0.159 120.545 120.200 0.310 0.000 2.028 875 E HA -0.077 4.273 4.350 -0.001 0.000 0.191 875 E C 2.186 179.044 176.600 0.430 0.000 0.988 875 E CA 1.116 57.709 56.400 0.321 0.000 0.799 875 E CB -0.053 29.676 29.700 0.048 0.000 0.755 875 E HN 0.222 nan 8.360 nan 0.000 0.447 876 M N 0.373 120.149 119.600 0.292 0.000 2.149 876 M HA -0.140 4.340 4.480 -0.001 0.000 0.261 876 M C 2.321 178.743 176.300 0.205 0.000 1.064 876 M CA 1.208 56.608 55.300 0.166 0.000 1.102 876 M CB -0.869 31.788 32.600 0.095 0.000 1.369 876 M HN 0.134 nan 8.290 nan 0.000 0.408 877 A N -0.325 122.631 122.820 0.227 0.000 1.873 877 A HA -0.205 4.115 4.320 -0.001 0.000 0.215 877 A C 2.032 179.770 177.584 0.256 0.000 1.186 877 A CA 1.327 53.462 52.037 0.164 0.000 0.616 877 A CB -1.092 17.970 19.000 0.103 0.000 0.823 877 A HN 0.423 nan 8.150 nan 0.000 0.442 878 F N 2.092 122.206 119.950 0.273 0.000 2.043 878 F HA -0.300 4.227 4.527 -0.001 0.000 0.297 878 F C 1.970 178.006 175.800 0.394 0.000 1.118 878 F CA 2.334 60.592 58.000 0.431 0.000 1.202 878 F CB -0.662 38.654 39.000 0.526 0.000 0.965 878 F HN 0.261 nan 8.300 nan 0.000 0.482 879 N N 0.728 119.595 118.700 0.277 0.000 2.094 879 N HA -0.213 4.526 4.740 -0.001 0.000 0.191 879 N C 2.053 177.645 175.510 0.136 0.000 1.023 879 N CA 1.918 55.071 53.050 0.171 0.000 0.857 879 N CB -0.788 37.833 38.487 0.223 0.000 1.013 879 N HN 0.387 nan 8.380 nan 0.000 0.426 880 L N 0.263 121.558 121.223 0.120 0.000 2.023 880 L HA -0.033 4.306 4.340 -0.001 0.000 0.205 880 L C 2.103 179.018 176.870 0.075 0.000 1.073 880 L CA 0.609 55.497 54.840 0.079 0.000 0.745 880 L CB -0.456 41.651 42.059 0.081 0.000 0.900 880 L HN 0.080 nan 8.230 nan 0.000 0.435 881 L N -0.186 121.087 121.223 0.084 0.000 2.263 881 L HA -0.193 4.146 4.340 -0.001 0.000 0.216 881 L C 2.496 179.514 176.870 0.247 0.000 1.111 881 L CA 1.129 56.060 54.840 0.153 0.000 0.773 881 L CB -0.974 41.201 42.059 0.193 0.000 0.906 881 L HN 0.343 nan 8.230 nan 0.000 0.439 882 G N 0.272 109.167 108.800 0.159 0.000 2.421 882 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 882 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 882 G C 1.433 176.484 174.900 0.251 0.000 1.171 882 G CA 0.539 45.766 45.100 0.212 0.000 0.775 882 G HN 0.369 nan 8.290 nan 0.000 0.543 883 L N 0.375 121.673 121.223 0.124 0.000 2.551 883 L HA 0.118 4.457 4.340 -0.001 0.000 0.228 883 L C 2.527 179.485 176.870 0.147 0.000 1.153 883 L CA 0.183 55.037 54.840 0.024 0.000 0.851 883 L CB -0.437 41.566 42.059 -0.094 0.000 0.959 883 L HN 0.183 nan 8.230 nan 0.000 0.451 884 M N 0.195 119.937 119.600 0.235 0.000 2.514 884 M HA 0.163 4.642 4.480 -0.001 0.000 0.258 884 M C 1.246 177.837 176.300 0.485 0.000 1.119 884 M CA 0.184 55.731 55.300 0.412 0.000 1.111 884 M CB -0.393 32.362 32.600 0.259 0.000 1.390 884 M HN 0.218 nan 8.290 nan 0.000 0.475 885 A N 1.709 124.720 122.820 0.318 0.000 2.445 885 A HA 0.231 4.551 4.320 -0.001 0.000 0.242 885 A C -1.467 176.222 177.584 0.175 0.000 1.075 885 A CA -1.003 51.161 52.037 0.211 0.000 0.777 885 A CB -0.289 18.799 19.000 0.148 0.000 1.013 885 A HN 0.098 nan 8.150 nan 0.000 0.493 886 P HA -0.225 nan 4.420 nan 0.000 0.216 886 P C 1.716 179.068 177.300 0.085 0.000 1.153 886 P CA 2.402 65.559 63.100 0.095 0.000 0.858 886 P CB 0.046 31.782 31.700 0.060 0.000 0.789 887 A N -0.268 122.605 122.820 0.089 0.000 1.859 887 A HA -0.256 4.063 4.320 -0.001 0.000 0.218 887 A C 2.272 179.912 177.584 0.094 0.000 1.209 887 A CA 2.161 54.252 52.037 0.090 0.000 0.639 887 A CB -1.721 17.342 19.000 0.106 0.000 0.835 887 A HN 0.123 nan 8.150 nan 0.000 0.450 888 I N -0.582 120.055 120.570 0.112 0.000 2.315 888 I HA -0.189 3.981 4.170 -0.001 0.000 0.248 888 I C 2.350 178.505 176.117 0.063 0.000 1.117 888 I CA 0.979 62.332 61.300 0.089 0.000 1.404 888 I CB -0.316 37.733 38.000 0.082 0.000 1.071 888 I HN 0.171 nan 8.210 nan 0.000 0.419 889 V N 1.329 121.290 119.914 0.078 0.000 2.380 889 V HA -0.335 3.784 4.120 -0.001 0.000 0.251 889 V C 2.069 178.183 176.094 0.033 0.000 1.063 889 V CA 2.025 64.356 62.300 0.051 0.000 1.055 889 V CB -0.840 31.015 31.823 0.054 0.000 0.657 889 V HN 0.509 nan 8.190 nan 0.000 0.455 890 N N -0.288 118.438 118.700 0.044 0.000 2.300 890 N HA -0.016 4.723 4.740 -0.001 0.000 0.179 890 N C 1.844 177.377 175.510 0.038 0.000 1.016 890 N CA 1.012 54.087 53.050 0.041 0.000 0.876 890 N CB -0.042 38.472 38.487 0.045 0.000 0.979 890 N HN 0.406 nan 8.380 nan 0.000 0.432 891 L N 0.670 121.915 121.223 0.037 0.000 2.012 891 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 891 L C 2.554 179.412 176.870 -0.019 0.000 1.073 891 L CA 1.018 55.874 54.840 0.027 0.000 0.748 891 L CB -0.582 41.502 42.059 0.041 0.000 0.891 891 L HN 0.229 nan 8.230 nan 0.000 0.431 892 C N -0.424 118.855 119.300 -0.035 0.000 2.411 892 C HA -0.167 4.293 4.460 -0.001 0.000 0.279 892 C C 2.761 177.678 174.990 -0.123 0.000 1.288 892 C CA 0.675 59.626 59.018 -0.112 0.000 1.764 892 C CB -0.909 26.794 27.740 -0.062 0.000 1.974 892 C HN 0.539 nan 8.230 nan 0.000 0.498 893 Q N 0.603 120.407 119.800 0.007 0.000 2.369 893 Q HA -0.089 4.251 4.340 -0.001 0.000 0.206 893 Q C 2.133 178.235 176.000 0.171 0.000 0.963 893 Q CA 1.699 57.572 55.803 0.118 0.000 0.894 893 Q CB -0.091 28.704 28.738 0.096 0.000 0.965 893 Q HN 0.878 nan 8.270 nan 0.000 0.475 894 S N -1.149 114.591 115.700 0.067 0.000 2.514 894 S HA 0.130 4.599 4.470 -0.001 0.000 0.223 894 S C 0.137 174.750 174.600 0.022 0.000 1.046 894 S CA -0.258 58.016 58.200 0.123 0.000 0.914 894 S CB 0.695 63.953 63.200 0.097 0.000 0.807 894 S HN 0.016 nan 8.310 nan 0.000 0.497 895 D N 1.639 121.911 120.400 -0.213 0.000 2.931 895 D HA 0.431 5.070 4.640 -0.001 0.000 0.215 895 D C -3.202 172.846 176.300 -0.419 0.000 1.297 895 D CA -1.320 52.513 54.000 -0.280 0.000 0.892 895 D CB 2.089 42.900 40.800 0.018 0.000 1.642 895 D HN -0.087 nan 8.370 nan 0.000 0.560 896 P HA -0.028 nan 4.420 nan 0.000 0.266 896 P C -0.478 176.835 177.300 0.021 0.000 1.186 896 P CA -0.022 62.889 63.100 -0.315 0.000 0.767 896 P CB 0.672 32.314 31.700 -0.096 0.000 0.820 897 V N 4.679 124.625 119.914 0.053 0.000 2.448 897 V HA 0.347 4.467 4.120 -0.001 0.000 0.295 897 V C -0.171 175.937 176.094 0.023 0.000 1.025 897 V CA -0.500 61.837 62.300 0.062 0.000 0.859 897 V CB 0.983 32.807 31.823 0.000 0.000 0.988 897 V HN 0.414 nan 8.190 nan 0.000 0.431 898 F N 3.745 123.522 119.950 -0.288 0.000 2.379 898 F HA 0.712 5.238 4.527 -0.001 0.000 0.332 898 F C 0.416 176.072 175.800 -0.239 0.000 1.096 898 F CA -0.239 57.457 58.000 -0.506 0.000 1.105 898 F CB 1.348 39.717 39.000 -1.051 0.000 1.189 898 F HN 0.523 nan 8.300 nan 0.000 0.515 899 A N 4.738 127.612 122.820 0.090 0.000 3.005 899 A HA 0.175 4.494 4.320 -0.001 0.000 0.308 899 A C -1.268 176.307 177.584 -0.014 0.000 1.173 899 A CA -0.662 51.367 52.037 -0.012 0.000 0.796 899 A CB 0.008 18.900 19.000 -0.180 0.000 1.325 899 A HN 0.653 nan 8.150 nan 0.000 0.467 900 D N 2.898 123.299 120.400 0.002 0.000 2.356 900 D HA 0.096 4.736 4.640 -0.001 0.000 0.272 900 D C 0.253 176.486 176.300 -0.112 0.000 1.337 900 D CA 0.303 54.243 54.000 -0.100 0.000 0.970 900 D CB 0.391 40.931 40.800 -0.432 0.000 1.092 900 D HN 0.539 nan 8.370 nan 0.000 0.516 901 L N 3.314 124.519 121.223 -0.030 0.000 2.984 901 L HA 0.183 4.523 4.340 -0.001 0.000 0.246 901 L C 0.730 177.597 176.870 -0.005 0.000 1.268 901 L CA -0.557 54.273 54.840 -0.017 0.000 1.054 901 L CB -0.483 41.525 42.059 -0.085 0.000 1.393 901 L HN 0.159 nan 8.230 nan 0.000 0.532 902 N N 1.049 119.834 118.700 0.142 0.000 2.518 902 N HA 0.157 4.896 4.740 -0.001 0.000 0.283 902 N C 1.053 176.877 175.510 0.523 0.000 1.119 902 N CA -0.071 53.154 53.050 0.292 0.000 0.983 902 N CB 1.900 40.543 38.487 0.259 0.000 1.139 902 N HN 0.161 nan 8.380 nan 0.000 0.465 903 G N 1.151 110.372 108.800 0.700 0.000 3.318 903 G HA2 0.238 4.198 3.960 -0.001 0.000 0.230 903 G HA3 0.238 4.198 3.960 -0.001 0.000 0.230 903 G C 0.924 176.225 174.900 0.669 0.000 1.317 903 G CA 0.140 45.614 45.100 0.623 0.000 1.197 903 G HN 1.015 nan 8.290 nan 0.000 0.514 904 G N -0.541 108.675 108.800 0.692 0.000 2.143 904 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.248 904 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.248 904 G C 1.025 176.255 174.900 0.551 0.000 0.991 904 G CA 0.373 45.842 45.100 0.614 0.000 0.689 904 G HN 0.520 nan 8.290 nan 0.000 0.522 905 L N -0.217 121.281 121.223 0.460 0.000 2.633 905 L HA 0.037 4.376 4.340 -0.001 0.000 0.235 905 L C 2.473 179.545 176.870 0.336 0.000 1.163 905 L CA 1.274 56.346 54.840 0.386 0.000 0.859 905 L CB -0.077 42.214 42.059 0.386 0.000 0.973 905 L HN 0.353 nan 8.230 nan 0.000 0.451 906 Q N -1.143 118.867 119.800 0.350 0.000 2.541 906 Q HA -0.061 4.278 4.340 -0.001 0.000 0.215 906 Q C 1.117 177.062 176.000 -0.092 0.000 0.977 906 Q CA 1.206 57.075 55.803 0.110 0.000 0.934 906 Q CB -0.116 28.632 28.738 0.016 0.000 0.988 906 Q HN 0.479 nan 8.270 nan 0.000 0.521 907 F N -0.789 119.223 119.950 0.103 0.000 2.740 907 F HA 0.283 4.810 4.527 -0.001 0.000 0.304 907 F C 0.495 176.339 175.800 0.074 0.000 1.098 907 F CA -0.544 57.500 58.000 0.073 0.000 1.258 907 F CB 0.692 39.729 39.000 0.061 0.000 1.061 907 F HN -0.096 nan 8.300 nan 0.000 0.598 908 I N 4.102 124.833 120.570 0.269 0.000 2.389 908 I HA 0.143 4.313 4.170 -0.001 0.000 0.295 908 I C -2.421 173.764 176.117 0.114 0.000 1.117 908 I CA -1.579 59.827 61.300 0.178 0.000 1.317 908 I CB -0.414 37.699 38.000 0.187 0.000 1.431 908 I HN -0.213 nan 8.210 nan 0.000 0.521 909 P HA 0.205 nan 4.420 nan 0.000 0.284 909 P C -0.125 177.180 177.300 0.008 0.000 1.258 909 P CA -0.285 62.834 63.100 0.032 0.000 0.824 909 P CB 0.704 32.420 31.700 0.026 0.000 1.038 910 D N 0.218 120.600 120.400 -0.031 0.000 2.708 910 D HA -0.147 4.492 4.640 -0.001 0.000 0.236 910 D C 0.733 176.983 176.300 -0.083 0.000 1.146 910 D CA 0.168 54.128 54.000 -0.067 0.000 0.662 910 D CB -0.668 40.110 40.800 -0.037 0.000 1.059 910 D HN 0.191 nan 8.370 nan 0.000 0.428 911 L N 1.439 122.602 121.223 -0.099 0.000 2.042 911 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 911 L C 2.486 179.259 176.870 -0.162 0.000 1.076 911 L CA 2.915 57.720 54.840 -0.059 0.000 0.749 911 L CB -0.769 41.303 42.059 0.022 0.000 0.893 911 L HN 0.468 nan 8.230 nan 0.000 0.432 912 K N -1.365 118.756 120.400 -0.463 0.000 2.147 912 K HA -0.075 4.244 4.320 -0.001 0.000 0.205 912 K C 1.948 178.459 176.600 -0.149 0.000 1.049 912 K CA 1.499 57.513 56.287 -0.454 0.000 0.936 912 K CB -0.987 31.075 32.500 -0.729 0.000 0.722 912 K HN 0.323 nan 8.250 nan 0.000 0.446 913 G N 2.048 110.777 108.800 -0.117 0.000 2.404 913 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.215 913 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.215 913 G C 1.459 176.356 174.900 -0.005 0.000 1.174 913 G CA 0.827 45.900 45.100 -0.046 0.000 0.780 913 G HN 0.310 nan 8.290 nan 0.000 0.537 914 L N 0.804 122.032 121.223 0.008 0.000 1.990 914 L HA -0.113 4.226 4.340 -0.001 0.000 0.213 914 L C 2.800 179.713 176.870 0.071 0.000 1.072 914 L CA 2.147 57.014 54.840 0.046 0.000 0.755 914 L CB -0.704 41.396 42.059 0.069 0.000 0.889 914 L HN 0.296 nan 8.230 nan 0.000 0.432 915 M N -0.434 119.224 119.600 0.096 0.000 2.065 915 M HA -0.216 4.263 4.480 -0.001 0.000 0.259 915 M C 2.190 178.545 176.300 0.092 0.000 1.071 915 M CA 2.766 58.149 55.300 0.138 0.000 1.109 915 M CB -1.464 31.247 32.600 0.185 0.000 1.313 915 M HN 0.589 nan 8.290 nan 0.000 0.408 916 T N -0.924 113.667 114.554 0.062 0.000 2.822 916 T HA -0.208 4.142 4.350 -0.001 0.000 0.270 916 T C 1.691 176.415 174.700 0.039 0.000 1.064 916 T CA 1.734 63.861 62.100 0.045 0.000 1.131 916 T CB -0.443 68.441 68.868 0.027 0.000 0.858 916 T HN 0.425 nan 8.240 nan 0.000 0.483 917 K N 0.850 121.273 120.400 0.039 0.000 2.001 917 K HA 0.030 4.350 4.320 -0.001 0.000 0.208 917 K C 2.370 178.994 176.600 0.041 0.000 1.048 917 K CA 1.105 57.413 56.287 0.035 0.000 0.932 917 K CB -0.353 32.166 32.500 0.032 0.000 0.715 917 K HN 0.361 nan 8.250 nan 0.000 0.437 918 L N 0.853 122.108 121.223 0.053 0.000 2.017 918 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 918 L C 2.795 179.697 176.870 0.052 0.000 1.073 918 L CA 1.037 55.910 54.840 0.055 0.000 0.745 918 L CB -0.435 41.668 42.059 0.073 0.000 0.894 918 L HN 0.209 nan 8.230 nan 0.000 0.432 919 R N 0.309 120.844 120.500 0.059 0.000 2.159 919 R HA -0.293 4.046 4.340 -0.001 0.000 0.249 919 R C 2.252 178.574 176.300 0.036 0.000 1.136 919 R CA 2.181 58.310 56.100 0.048 0.000 0.951 919 R CB -0.517 29.811 30.300 0.048 0.000 0.876 919 R HN 0.353 nan 8.270 nan 0.000 0.440 920 K N 0.710 121.130 120.400 0.033 0.000 1.969 920 K HA -0.191 4.129 4.320 -0.001 0.000 0.216 920 K C 2.005 178.620 176.600 0.026 0.000 1.048 920 K CA 2.058 58.361 56.287 0.027 0.000 0.948 920 K CB -0.121 32.394 32.500 0.024 0.000 0.726 920 K HN 0.215 nan 8.250 nan 0.000 0.442 921 E N 0.565 120.782 120.200 0.028 0.000 2.068 921 E HA -0.275 4.074 4.350 -0.001 0.000 0.207 921 E C 2.081 178.697 176.600 0.026 0.000 1.032 921 E CA 2.232 58.648 56.400 0.026 0.000 0.839 921 E CB -0.398 29.318 29.700 0.028 0.000 0.758 921 E HN 0.382 nan 8.360 nan 0.000 0.457 922 I N 0.420 121.008 120.570 0.030 0.000 2.118 922 I HA -0.310 3.859 4.170 -0.001 0.000 0.241 922 I C 2.528 178.661 176.117 0.027 0.000 1.070 922 I CA 0.972 62.290 61.300 0.030 0.000 1.327 922 I CB -0.360 37.660 38.000 0.034 0.000 1.034 922 I HN 0.200 nan 8.210 nan 0.000 0.405 923 M N 0.067 119.682 119.600 0.026 0.000 2.159 923 M HA -0.199 4.280 4.480 -0.001 0.000 0.263 923 M C 2.144 178.457 176.300 0.021 0.000 1.063 923 M CA 1.625 56.938 55.300 0.022 0.000 1.110 923 M CB -1.153 31.459 32.600 0.021 0.000 1.374 923 M HN 0.296 nan 8.290 nan 0.000 0.411 924 E N -0.043 120.170 120.200 0.021 0.000 2.008 924 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 924 E C 1.861 178.472 176.600 0.019 0.000 0.986 924 E CA 1.986 58.397 56.400 0.019 0.000 0.807 924 E CB 0.077 29.788 29.700 0.019 0.000 0.766 924 E HN 0.567 nan 8.360 nan 0.000 0.450 925 T N -0.804 113.762 114.554 0.020 0.000 2.803 925 T HA -0.205 4.145 4.350 -0.001 0.000 0.269 925 T C 2.109 176.821 174.700 0.019 0.000 1.052 925 T CA 1.702 63.813 62.100 0.019 0.000 1.136 925 T CB -0.538 68.342 68.868 0.020 0.000 0.864 925 T HN 0.194 nan 8.240 nan 0.000 0.467 926 S N 2.270 117.982 115.700 0.021 0.000 2.371 926 S HA 0.174 4.643 4.470 -0.001 0.000 0.224 926 S C 2.517 177.129 174.600 0.020 0.000 1.029 926 S CA 0.805 59.018 58.200 0.022 0.000 0.978 926 S CB -0.971 62.243 63.200 0.024 0.000 0.833 926 S HN 0.741 nan 8.310 nan 0.000 0.466 927 A N 2.208 125.039 122.820 0.019 0.000 1.883 927 A HA 0.056 4.375 4.320 -0.001 0.000 0.217 927 A C 2.256 179.849 177.584 0.016 0.000 1.186 927 A CA 1.574 53.621 52.037 0.017 0.000 0.624 927 A CB -0.974 18.035 19.000 0.016 0.000 0.822 927 A HN 0.618 nan 8.150 nan 0.000 0.444 928 I N -1.107 119.473 120.570 0.016 0.000 2.127 928 I HA -0.313 3.857 4.170 -0.001 0.000 0.241 928 I C 2.749 178.875 176.117 0.015 0.000 1.075 928 I CA 2.003 63.312 61.300 0.015 0.000 1.334 928 I CB -0.421 37.587 38.000 0.015 0.000 1.040 928 I HN 0.381 nan 8.210 nan 0.000 0.405 929 R N 1.071 121.581 120.500 0.016 0.000 2.083 929 R HA -0.244 4.095 4.340 -0.001 0.000 0.237 929 R C 2.435 178.745 176.300 0.017 0.000 1.137 929 R CA 2.167 58.277 56.100 0.016 0.000 0.951 929 R CB -0.195 30.116 30.300 0.017 0.000 0.851 929 R HN 0.567 nan 8.270 nan 0.000 0.434 930 Q N -0.965 118.846 119.800 0.017 0.000 2.311 930 Q HA 0.057 4.396 4.340 -0.001 0.000 0.203 930 Q C 1.897 177.907 176.000 0.017 0.000 0.954 930 Q CA 0.860 56.673 55.803 0.018 0.000 0.885 930 Q CB -0.038 28.711 28.738 0.018 0.000 0.963 930 Q HN 0.317 nan 8.270 nan 0.000 0.471 931 A N 1.911 124.741 122.820 0.016 0.000 1.841 931 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 931 A C 2.415 180.008 177.584 0.015 0.000 1.199 931 A CA 1.765 53.811 52.037 0.015 0.000 0.621 931 A CB -1.142 17.866 19.000 0.014 0.000 0.835 931 A HN 0.202 nan 8.150 nan 0.000 0.445 932 V N 0.585 120.508 119.914 0.014 0.000 2.277 932 V HA -0.377 3.742 4.120 -0.001 0.000 0.253 932 V C 2.450 178.553 176.094 0.015 0.000 1.067 932 V CA 2.364 64.673 62.300 0.014 0.000 1.047 932 V CB -0.900 30.931 31.823 0.013 0.000 0.649 932 V HN 0.578 nan 8.190 nan 0.000 0.447 933 I N -0.731 119.849 120.570 0.016 0.000 2.087 933 I HA -0.360 3.809 4.170 -0.001 0.000 0.240 933 I C 2.640 178.768 176.117 0.019 0.000 1.054 933 I CA 2.056 63.367 61.300 0.018 0.000 1.311 933 I CB -0.584 37.428 38.000 0.019 0.000 1.024 933 I HN 0.296 nan 8.210 nan 0.000 0.402 934 K N 0.344 120.755 120.400 0.018 0.000 2.020 934 K HA -0.220 4.099 4.320 -0.001 0.000 0.212 934 K C 2.137 178.748 176.600 0.018 0.000 1.050 934 K CA 1.521 57.819 56.287 0.019 0.000 0.929 934 K CB -0.175 32.336 32.500 0.017 0.000 0.714 934 K HN 0.258 nan 8.250 nan 0.000 0.443 935 E N 0.007 120.217 120.200 0.016 0.000 2.048 935 E HA -0.215 4.135 4.350 -0.001 0.000 0.202 935 E C 2.191 178.800 176.600 0.015 0.000 1.021 935 E CA 2.220 58.629 56.400 0.015 0.000 0.825 935 E CB -0.674 29.034 29.700 0.013 0.000 0.756 935 E HN 0.532 nan 8.360 nan 0.000 0.454 936 T N -0.667 113.896 114.554 0.015 0.000 2.777 936 T HA 0.002 4.351 4.350 -0.001 0.000 0.266 936 T C 2.065 176.776 174.700 0.019 0.000 1.040 936 T CA 1.571 63.680 62.100 0.015 0.000 1.141 936 T CB -0.338 68.539 68.868 0.014 0.000 0.868 936 T HN 0.167 nan 8.240 nan 0.000 0.444 937 A N 0.611 123.444 122.820 0.022 0.000 2.172 937 A HA 0.267 4.587 4.320 -0.001 0.000 0.216 937 A C 2.242 179.844 177.584 0.030 0.000 1.154 937 A CA 0.749 52.803 52.037 0.029 0.000 0.701 937 A CB -0.798 18.220 19.000 0.030 0.000 0.789 937 A HN 0.630 nan 8.150 nan 0.000 0.465 938 I N -1.167 119.418 120.570 0.024 0.000 2.703 938 I HA -0.100 4.070 4.170 -0.001 0.000 0.259 938 I C 2.207 178.336 176.117 0.021 0.000 1.151 938 I CA 0.643 61.957 61.300 0.024 0.000 1.470 938 I CB -0.120 37.892 38.000 0.020 0.000 1.112 938 I HN 0.338 nan 8.210 nan 0.000 0.437 939 E N 0.893 121.103 120.200 0.017 0.000 2.153 939 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 939 E C 1.647 178.254 176.600 0.012 0.000 0.988 939 E CA 0.941 57.349 56.400 0.012 0.000 0.811 939 E CB -0.058 29.647 29.700 0.009 0.000 0.746 939 E HN 0.450 nan 8.360 nan 0.000 0.466 940 N N 1.070 119.781 118.700 0.019 0.000 2.142 940 N HA -0.126 4.613 4.740 -0.001 0.000 0.186 940 N C 1.438 176.969 175.510 0.035 0.000 1.023 940 N CA 0.993 54.057 53.050 0.024 0.000 0.852 940 N CB -0.118 38.393 38.487 0.039 0.000 0.998 940 N HN 0.058 nan 8.380 nan 0.000 0.424 941 K N 0.189 120.614 120.400 0.042 0.000 2.209 941 K HA 0.002 4.322 4.320 -0.001 0.000 0.204 941 K C 1.774 178.394 176.600 0.033 0.000 1.048 941 K CA 0.411 56.726 56.287 0.047 0.000 0.940 941 K CB 0.031 32.556 32.500 0.043 0.000 0.729 941 K HN -0.039 nan 8.250 nan 0.000 0.451 942 V N -0.058 119.869 119.914 0.021 0.000 2.379 942 V HA -0.176 3.943 4.120 -0.001 0.000 0.245 942 V C 1.951 178.048 176.094 0.005 0.000 1.044 942 V CA 1.354 63.662 62.300 0.013 0.000 1.036 942 V CB 0.129 31.957 31.823 0.009 0.000 0.664 942 V HN 0.078 nan 8.190 nan 0.000 0.453 943 V N 0.317 120.229 119.914 -0.003 0.000 2.426 943 V HA -0.042 4.077 4.120 -0.001 0.000 0.242 943 V C 1.876 177.946 176.094 -0.039 0.000 1.036 943 V CA 1.565 63.852 62.300 -0.022 0.000 1.044 943 V CB -0.561 31.244 31.823 -0.031 0.000 0.688 943 V HN 0.540 nan 8.190 nan 0.000 0.462 944 N N 0.334 119.010 118.700 -0.041 0.000 2.412 944 N HA 0.243 4.982 4.740 -0.001 0.000 0.184 944 N C 0.883 176.407 175.510 0.022 0.000 1.101 944 N CA 0.937 53.937 53.050 -0.083 0.000 0.881 944 N CB 0.368 38.764 38.487 -0.152 0.000 0.969 944 N HN 0.538 nan 8.380 nan 0.000 0.459 945 G N 0.989 109.812 108.800 0.039 0.000 2.758 945 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.686 945 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.686 945 G C 0.345 175.297 174.900 0.086 0.000 1.389 945 G CA -0.279 44.855 45.100 0.057 0.000 0.845 945 G HN 0.048 nan 8.290 nan 0.000 0.572 946 E N 0.216 120.458 120.200 0.069 0.000 2.085 946 E HA -0.043 4.306 4.350 -0.001 0.000 0.194 946 E C 2.192 178.845 176.600 0.088 0.000 0.994 946 E CA 1.982 58.423 56.400 0.069 0.000 0.801 946 E CB -0.139 29.590 29.700 0.048 0.000 0.743 946 E HN 0.566 nan 8.360 nan 0.000 0.453 947 D N -0.645 119.811 120.400 0.093 0.000 2.088 947 D HA -0.192 4.447 4.640 -0.001 0.000 0.191 947 D C 1.948 178.340 176.300 0.154 0.000 0.992 947 D CA 1.351 55.411 54.000 0.100 0.000 0.831 947 D CB -0.711 40.144 40.800 0.092 0.000 0.973 947 D HN 0.309 nan 8.370 nan 0.000 0.447 948 H N 1.337 120.474 119.070 0.112 0.000 2.290 948 H HA -0.120 4.436 4.556 -0.001 0.000 0.298 948 H C 1.785 177.257 175.328 0.240 0.000 1.087 948 H CA 1.628 57.783 56.048 0.178 0.000 1.291 948 H CB 0.208 30.009 29.762 0.065 0.000 1.369 948 H HN 0.017 nan 8.280 nan 0.000 0.492 949 E N 0.718 121.087 120.200 0.282 0.000 2.070 949 E HA -0.157 4.193 4.350 -0.001 0.000 0.197 949 E C 2.427 179.099 176.600 0.120 0.000 1.004 949 E CA 1.082 57.600 56.400 0.197 0.000 0.805 949 E CB -0.652 29.144 29.700 0.159 0.000 0.744 949 E HN 0.582 nan 8.360 nan 0.000 0.451 950 A N 1.416 124.289 122.820 0.089 0.000 1.873 950 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 950 A C 2.331 179.909 177.584 -0.010 0.000 1.193 950 A CA 1.576 53.637 52.037 0.040 0.000 0.629 950 A CB -0.867 18.151 19.000 0.030 0.000 0.826 950 A HN 0.258 nan 8.150 nan 0.000 0.447 951 L N -2.350 118.842 121.223 -0.052 0.000 2.633 951 L HA -0.060 4.280 4.340 -0.001 0.000 0.235 951 L C 0.382 176.946 176.870 -0.510 0.000 1.163 951 L CA 0.576 55.251 54.840 -0.275 0.000 0.859 951 L CB -0.450 41.390 42.059 -0.366 0.000 0.973 951 L HN 0.482 nan 8.230 nan 0.000 0.451 952 Y N 0.163 120.387 120.300 -0.127 0.000 2.617 952 Y HA 0.370 4.919 4.550 -0.001 0.000 0.328 952 Y C 0.201 176.067 175.900 -0.057 0.000 0.946 952 Y CA -0.596 57.435 58.100 -0.115 0.000 1.241 952 Y CB 0.315 38.654 38.460 -0.201 0.000 1.226 952 Y HN -0.010 nan 8.280 nan 0.000 0.582 953 R N 0.259 120.778 120.500 0.032 0.000 2.562 953 R HA 0.458 4.798 4.340 -0.001 0.000 0.298 953 R C -0.257 176.051 176.300 0.012 0.000 0.961 953 R CA -1.150 54.970 56.100 0.033 0.000 0.881 953 R CB 1.664 31.979 30.300 0.025 0.000 1.159 953 R HN 0.245 nan 8.270 nan 0.000 0.450 954 R N 1.680 122.193 120.500 0.022 0.000 2.763 954 R HA -0.046 4.294 4.340 -0.001 0.000 0.348 954 R C -0.284 176.020 176.300 0.006 0.000 0.826 954 R CA 0.239 56.348 56.100 0.015 0.000 1.109 954 R CB 0.030 30.342 30.300 0.020 0.000 0.889 954 R HN 0.305 nan 8.270 nan 0.000 0.402 955 V N 7.164 127.075 119.914 -0.004 0.000 2.403 955 V HA 0.031 4.151 4.120 -0.001 0.000 0.265 955 V C 0.806 176.902 176.094 0.004 0.000 1.034 955 V CA 0.372 62.669 62.300 -0.005 0.000 1.036 955 V CB 0.262 32.074 31.823 -0.017 0.000 1.032 955 V HN 0.565 nan 8.190 nan 0.000 0.478 956 I N 5.641 126.217 120.570 0.010 0.000 2.291 956 I HA 0.187 4.356 4.170 -0.001 0.000 0.290 956 I C 1.039 177.167 176.117 0.018 0.000 1.050 956 I CA -0.316 60.993 61.300 0.015 0.000 1.245 956 I CB 1.345 39.356 38.000 0.018 0.000 1.405 956 I HN 0.674 nan 8.210 nan 0.000 0.478 957 T N 2.484 117.049 114.554 0.018 0.000 2.946 957 T HA 0.073 4.423 4.350 -0.001 0.000 0.311 957 T C 0.064 174.781 174.700 0.030 0.000 1.063 957 T CA -0.498 61.615 62.100 0.022 0.000 1.139 957 T CB 0.514 69.395 68.868 0.022 0.000 0.994 957 T HN 0.479 nan 8.240 nan 0.000 0.547 958 E N 3.247 123.468 120.200 0.035 0.000 2.200 958 E HA 0.309 4.658 4.350 -0.001 0.000 0.283 958 E C -2.257 174.374 176.600 0.051 0.000 1.015 958 E CA -1.974 54.452 56.400 0.043 0.000 0.819 958 E CB 0.538 30.266 29.700 0.048 0.000 1.081 958 E HN 0.539 nan 8.360 nan 0.000 0.397 959 P HA 0.081 nan 4.420 nan 0.000 0.271 959 P C -0.560 176.788 177.300 0.080 0.000 1.226 959 P CA 0.179 63.317 63.100 0.064 0.000 0.765 959 P CB 0.677 32.415 31.700 0.064 0.000 0.835 960 R N 1.582 122.132 120.500 0.083 0.000 2.719 960 R HA 0.842 5.181 4.340 -0.001 0.000 0.233 960 R C -0.452 175.918 176.300 0.117 0.000 1.257 960 R CA -1.013 55.151 56.100 0.106 0.000 1.109 960 R CB 1.261 31.617 30.300 0.093 0.000 1.447 960 R HN 0.472 nan 8.270 nan 0.000 0.537 961 A N 1.631 124.540 122.820 0.148 0.000 2.355 961 A HA 0.377 4.697 4.320 -0.001 0.000 0.317 961 A C -1.221 176.467 177.584 0.173 0.000 1.094 961 A CA -0.889 51.242 52.037 0.157 0.000 0.764 961 A CB 0.970 20.076 19.000 0.178 0.000 1.230 961 A HN 0.781 nan 8.150 nan 0.000 0.448 962 N N 2.409 121.206 118.700 0.163 0.000 2.342 962 N HA 0.430 5.169 4.740 -0.001 0.000 0.293 962 N C -1.583 174.061 175.510 0.224 0.000 1.026 962 N CA -0.543 52.624 53.050 0.196 0.000 0.857 962 N CB 1.360 39.939 38.487 0.155 0.000 1.256 962 N HN 0.450 nan 8.380 nan 0.000 0.484 963 L N 2.092 123.503 121.223 0.313 0.000 2.268 963 L HA 0.308 4.648 4.340 -0.001 0.000 0.289 963 L C 0.411 177.475 176.870 0.323 0.000 1.064 963 L CA -0.583 54.408 54.840 0.252 0.000 0.824 963 L CB 0.399 42.582 42.059 0.206 0.000 1.202 963 L HN 0.354 nan 8.230 nan 0.000 0.433 964 K N 2.975 123.503 120.400 0.214 0.000 2.249 964 K HA 0.157 4.476 4.320 -0.001 0.000 0.280 964 K C -0.749 175.926 176.600 0.126 0.000 1.033 964 K CA -0.369 56.068 56.287 0.250 0.000 0.946 964 K CB 0.899 33.480 32.500 0.136 0.000 1.005 964 K HN 0.314 nan 8.250 nan 0.000 0.469 965 Y N 4.356 124.709 120.300 0.088 0.000 2.751 965 Y HA 0.200 4.750 4.550 -0.001 0.000 0.333 965 Y C -2.208 173.625 175.900 -0.112 0.000 1.122 965 Y CA -2.445 55.579 58.100 -0.127 0.000 1.367 965 Y CB 0.563 38.905 38.460 -0.197 0.000 1.242 965 Y HN 0.437 nan 8.280 nan 0.000 0.505 966 P HA 0.118 nan 4.420 nan 0.000 0.287 966 P C -0.701 176.720 177.300 0.201 0.000 1.281 966 P CA -0.055 63.063 63.100 0.029 0.000 0.781 966 P CB 0.587 32.297 31.700 0.016 0.000 0.903 967 F N 3.703 123.710 119.950 0.094 0.000 2.373 967 F HA 0.356 4.882 4.527 -0.001 0.000 0.302 967 F C -1.472 174.287 175.800 -0.069 0.000 1.247 967 F CA -2.449 55.571 58.000 0.033 0.000 1.169 967 F CB -1.331 37.675 39.000 0.009 0.000 1.309 967 F HN 0.217 nan 8.300 nan 0.000 0.537 968 P HA 0.088 nan 4.420 nan 0.000 0.271 968 P C -0.995 176.327 177.300 0.037 0.000 1.218 968 P CA -0.261 62.766 63.100 -0.121 0.000 0.780 968 P CB 0.294 31.752 31.700 -0.404 0.000 0.901 969 E N 1.422 121.667 120.200 0.076 0.000 2.328 969 E HA 0.067 4.417 4.350 -0.001 0.000 0.265 969 E C -0.251 176.446 176.600 0.162 0.000 1.057 969 E CA -0.140 56.332 56.400 0.119 0.000 0.916 969 E CB -0.030 29.750 29.700 0.133 0.000 0.993 969 E HN 0.332 nan 8.360 nan 0.000 0.446 970 L N 6.363 127.677 121.223 0.152 0.000 2.418 970 L HA 0.208 4.547 4.340 -0.001 0.000 0.274 970 L C -1.874 175.135 176.870 0.231 0.000 1.135 970 L CA -1.903 53.052 54.840 0.190 0.000 0.870 970 L CB -0.420 41.693 42.059 0.090 0.000 1.154 970 L HN 0.284 nan 8.230 nan 0.000 0.462 971 P HA 0.002 nan 4.420 nan 0.000 0.270 971 P C -0.780 176.626 177.300 0.177 0.000 1.227 971 P CA -0.373 62.858 63.100 0.218 0.000 0.788 971 P CB 0.429 32.260 31.700 0.219 0.000 0.926 972 D N 0.407 120.873 120.400 0.111 0.000 2.348 972 D HA -0.034 4.605 4.640 -0.001 0.000 0.253 972 D C 0.975 177.306 176.300 0.052 0.000 1.161 972 D CA -0.312 53.755 54.000 0.111 0.000 0.876 972 D CB 0.233 41.080 40.800 0.078 0.000 1.160 972 D HN 0.421 nan 8.370 nan 0.000 0.459 973 W N 4.526 125.776 121.300 -0.082 0.000 2.317 973 W HA -0.235 4.425 4.660 -0.001 0.000 0.318 973 W C 0.625 177.075 176.519 -0.116 0.000 1.227 973 W CA 1.428 58.658 57.345 -0.191 0.000 1.269 973 W CB 0.132 29.529 29.460 -0.106 0.000 1.155 973 W HN 0.503 nan 8.180 nan 0.000 0.484 974 D N 0.172 120.539 120.400 -0.054 0.000 2.084 974 D HA -0.169 4.470 4.640 -0.001 0.000 0.199 974 D C 2.052 178.235 176.300 -0.195 0.000 0.981 974 D CA 1.442 55.348 54.000 -0.157 0.000 0.841 974 D CB -0.476 40.340 40.800 0.027 0.000 0.997 974 D HN 0.244 nan 8.370 nan 0.000 0.454 975 K N 0.269 120.608 120.400 -0.102 0.000 2.097 975 K HA -0.094 4.225 4.320 -0.001 0.000 0.205 975 K C 1.379 177.897 176.600 -0.136 0.000 1.050 975 K CA 0.976 57.207 56.287 -0.093 0.000 0.938 975 K CB 0.217 32.696 32.500 -0.034 0.000 0.718 975 K HN 0.134 nan 8.250 nan 0.000 0.442 976 D N -0.365 119.938 120.400 -0.162 0.000 2.525 976 D HA 0.108 4.747 4.640 -0.001 0.000 0.248 976 D C 1.951 178.084 176.300 -0.278 0.000 1.000 976 D CA 0.593 54.492 54.000 -0.169 0.000 0.923 976 D CB 0.403 41.153 40.800 -0.084 0.000 1.101 976 D HN 0.080 nan 8.370 nan 0.000 0.493 977 I N 0.728 121.054 120.570 -0.407 0.000 2.729 977 I HA -0.034 4.136 4.170 -0.001 0.000 0.256 977 I C 2.405 178.057 176.117 -0.776 0.000 1.115 977 I CA 0.158 61.129 61.300 -0.549 0.000 1.446 977 I CB -0.085 37.558 38.000 -0.596 0.000 1.176 977 I HN -0.172 nan 8.210 nan 0.000 0.446 978 K N 1.802 121.516 120.400 -1.145 0.000 2.071 978 K HA -0.222 4.097 4.320 -0.001 0.000 0.217 978 K C -0.732 175.579 176.600 -0.483 0.000 1.054 978 K CA 2.368 58.074 56.287 -0.969 0.000 0.937 978 K CB -1.035 30.991 32.500 -0.791 0.000 0.719 978 K HN 0.159 nan 8.250 nan 0.000 0.454 979 P HA -0.121 nan 4.420 nan 0.000 0.226 979 P C 0.347 177.519 177.300 -0.214 0.000 1.146 979 P CA 1.184 64.139 63.100 -0.240 0.000 0.773 979 P CB 0.089 31.664 31.700 -0.210 0.000 0.772 980 L N -3.124 117.942 121.223 -0.261 0.000 2.749 980 L HA 0.266 4.605 4.340 -0.001 0.000 0.242 980 L C 1.921 178.704 176.870 -0.144 0.000 1.103 980 L CA 0.198 54.917 54.840 -0.201 0.000 0.906 980 L CB -1.189 40.700 42.059 -0.283 0.000 1.228 980 L HN -0.207 nan 8.230 nan 0.000 0.517 981 N N 1.275 119.863 118.700 -0.186 0.000 2.182 981 N HA -0.259 4.480 4.740 -0.001 0.000 0.192 981 N C 1.360 176.860 175.510 -0.016 0.000 1.007 981 N CA 1.822 54.824 53.050 -0.080 0.000 0.873 981 N CB -0.042 38.388 38.487 -0.094 0.000 0.998 981 N HN 0.309 nan 8.380 nan 0.000 0.436 982 D N 0.183 120.558 120.400 -0.042 0.000 2.092 982 D HA -0.159 4.480 4.640 -0.001 0.000 0.193 982 D C 1.863 178.157 176.300 -0.009 0.000 0.994 982 D CA 1.231 55.220 54.000 -0.018 0.000 0.828 982 D CB -0.261 40.520 40.800 -0.032 0.000 0.963 982 D HN 0.557 nan 8.370 nan 0.000 0.450 983 Q N -0.494 119.297 119.800 -0.014 0.000 2.187 983 Q HA 0.054 4.394 4.340 -0.001 0.000 0.199 983 Q C 1.888 177.892 176.000 0.007 0.000 0.957 983 Q CA 0.495 56.295 55.803 -0.005 0.000 0.857 983 Q CB 0.215 28.955 28.738 0.002 0.000 0.929 983 Q HN 0.207 nan 8.270 nan 0.000 0.453 984 L N 0.039 121.275 121.223 0.022 0.000 2.607 984 L HA 0.148 4.487 4.340 -0.001 0.000 0.228 984 L C 0.679 177.584 176.870 0.059 0.000 1.123 984 L CA -0.058 54.811 54.840 0.048 0.000 0.890 984 L CB 0.272 42.388 42.059 0.094 0.000 1.103 984 L HN -0.031 nan 8.230 nan 0.000 0.468 985 R N 0.650 121.182 120.500 0.054 0.000 2.449 985 R HA 0.219 4.558 4.340 -0.001 0.000 0.296 985 R C 1.117 177.446 176.300 0.047 0.000 1.047 985 R CA 0.766 56.911 56.100 0.074 0.000 1.018 985 R CB 0.326 30.672 30.300 0.076 0.000 0.962 985 R HN 0.281 nan 8.270 nan 0.000 0.428 986 G N 4.585 113.420 108.800 0.058 0.000 2.309 986 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.286 986 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.286 986 G C 0.555 175.462 174.900 0.011 0.000 1.002 986 G CA 0.458 45.580 45.100 0.036 0.000 0.786 986 G HN 0.530 nan 8.290 nan 0.000 0.511 987 M N -0.514 119.084 119.600 -0.005 0.000 2.493 987 M HA 0.381 4.860 4.480 -0.001 0.000 0.244 987 M C 0.346 176.607 176.300 -0.065 0.000 1.182 987 M CA 0.209 55.493 55.300 -0.028 0.000 0.981 987 M CB 0.233 32.812 32.600 -0.034 0.000 1.551 987 M HN 0.062 nan 8.290 nan 0.000 0.476 988 V N 0.996 120.869 119.914 -0.070 0.000 2.789 988 V HA 0.225 4.344 4.120 -0.001 0.000 0.300 988 V C -0.716 175.356 176.094 -0.037 0.000 1.184 988 V CA -1.311 60.916 62.300 -0.122 0.000 0.930 988 V CB 2.668 34.288 31.823 -0.339 0.000 1.041 988 V HN 0.273 nan 8.190 nan 0.000 0.430 989 N N 5.147 123.833 118.700 -0.023 0.000 2.406 989 N HA 0.196 4.935 4.740 -0.001 0.000 0.265 989 N C 0.931 176.455 175.510 0.024 0.000 1.203 989 N CA 0.018 53.068 53.050 -0.000 0.000 0.945 989 N CB 0.727 39.206 38.487 -0.015 0.000 1.165 989 N HN 0.688 nan 8.380 nan 0.000 0.485 990 L N 1.649 122.899 121.223 0.044 0.000 2.456 990 L HA -0.079 4.260 4.340 -0.001 0.000 0.224 990 L C 1.023 177.925 176.870 0.054 0.000 1.148 990 L CA 0.870 55.752 54.840 0.070 0.000 0.825 990 L CB -0.233 41.869 42.059 0.072 0.000 0.937 990 L HN 0.558 nan 8.230 nan 0.000 0.450 991 D N -0.048 120.369 120.400 0.029 0.000 2.339 991 D HA -0.054 4.586 4.640 -0.001 0.000 0.217 991 D C 1.250 177.548 176.300 -0.003 0.000 1.050 991 D CA 0.567 54.576 54.000 0.016 0.000 0.856 991 D CB 0.355 41.158 40.800 0.005 0.000 0.922 991 D HN 0.025 nan 8.370 nan 0.000 0.518 992 K N -0.008 120.392 120.400 0.000 0.000 2.676 992 K HA 0.230 4.549 4.320 -0.001 0.000 0.205 992 K C -1.089 175.530 176.600 0.032 0.000 1.084 992 K CA -0.194 56.078 56.287 -0.026 0.000 1.057 992 K CB 2.131 34.593 32.500 -0.062 0.000 0.791 992 K HN -0.054 nan 8.250 nan 0.000 0.484 993 V N 1.826 121.795 119.914 0.091 0.000 2.417 993 V HA 0.281 4.401 4.120 -0.001 0.000 0.291 993 V C -0.247 175.945 176.094 0.162 0.000 1.024 993 V CA -0.821 61.600 62.300 0.202 0.000 0.861 993 V CB 1.972 33.974 31.823 0.298 0.000 0.985 993 V HN -0.117 nan 8.190 nan 0.000 0.436 994 V N 6.167 126.210 119.914 0.215 0.000 2.427 994 V HA 0.564 4.683 4.120 -0.001 0.000 0.286 994 V C -0.159 176.023 176.094 0.147 0.000 1.034 994 V CA -0.443 61.970 62.300 0.188 0.000 0.893 994 V CB 1.750 33.766 31.823 0.321 0.000 0.982 994 V HN 0.558 nan 8.190 nan 0.000 0.452 995 V N 5.070 125.043 119.914 0.099 0.000 2.709 995 V HA 0.427 4.547 4.120 -0.001 0.000 0.308 995 V C -0.448 175.692 176.094 0.076 0.000 1.062 995 V CA -0.605 61.729 62.300 0.056 0.000 0.901 995 V CB 2.741 34.579 31.823 0.025 0.000 1.003 995 V HN 0.634 nan 8.190 nan 0.000 0.425 996 V N 3.935 123.896 119.914 0.078 0.000 2.389 996 V HA 0.248 4.368 4.120 -0.001 0.000 0.264 996 V C 1.085 177.287 176.094 0.179 0.000 1.049 996 V CA 0.467 62.832 62.300 0.108 0.000 0.932 996 V CB 0.797 32.677 31.823 0.095 0.000 1.011 996 V HN 1.036 nan 8.190 nan 0.000 0.475 997 T N 3.108 117.764 114.554 0.170 0.000 2.990 997 T HA 0.317 4.666 4.350 -0.001 0.000 0.250 997 T C 0.707 175.553 174.700 0.243 0.000 1.041 997 T CA 0.687 62.922 62.100 0.224 0.000 1.010 997 T CB 0.044 68.994 68.868 0.137 0.000 1.003 997 T HN 0.812 nan 8.240 nan 0.000 0.499 998 G N 0.948 109.814 108.800 0.109 0.000 2.481 998 G HA2 0.676 4.636 3.960 -0.001 0.000 0.315 998 G HA3 0.676 4.636 3.960 -0.001 0.000 0.315 998 G C -1.980 172.845 174.900 -0.124 0.000 1.231 998 G CA -0.456 44.664 45.100 0.032 0.000 0.968 998 G HN 0.324 nan 8.290 nan 0.000 0.482 999 L N 0.464 121.588 121.223 -0.166 0.000 2.513 999 L HA 0.741 5.081 4.340 -0.001 0.000 0.261 999 L C -0.748 176.079 176.870 -0.072 0.000 0.945 999 L CA -0.531 54.177 54.840 -0.220 0.000 0.848 999 L CB 1.849 43.577 42.059 -0.551 0.000 1.334 999 L HN 1.058 nan 8.230 nan 0.000 0.407 1000 A N 3.746 126.559 122.820 -0.011 0.000 2.567 1000 A HA 0.729 5.048 4.320 -0.001 0.000 0.291 1000 A C -1.803 175.818 177.584 0.062 0.000 1.048 1000 A CA -0.465 51.596 52.037 0.041 0.000 0.661 1000 A CB 1.996 21.055 19.000 0.099 0.000 1.288 1000 A HN 0.740 nan 8.150 nan 0.000 0.424 1001 E N -0.388 119.839 120.200 0.045 0.000 2.416 1001 E HA 0.683 5.032 4.350 -0.001 0.000 0.280 1001 E C -1.857 174.729 176.600 -0.023 0.000 1.055 1001 E CA -0.844 55.580 56.400 0.040 0.000 0.825 1001 E CB 1.332 30.963 29.700 -0.114 0.000 1.312 1001 E HN 0.486 nan 8.360 nan 0.000 0.452 1002 I N 0.810 121.359 120.570 -0.034 0.000 2.478 1002 I HA 0.712 4.881 4.170 -0.001 0.000 0.287 1002 I C 0.086 176.069 176.117 -0.223 0.000 1.042 1002 I CA 0.034 61.199 61.300 -0.226 0.000 1.067 1002 I CB 1.971 39.711 38.000 -0.432 0.000 1.233 1002 I HN 0.786 nan 8.210 nan 0.000 0.431 1003 G N 4.952 113.540 108.800 -0.354 0.000 2.749 1003 G HA2 0.514 4.474 3.960 -0.001 0.000 0.300 1003 G HA3 0.514 4.474 3.960 -0.001 0.000 0.300 1003 G C -2.686 172.044 174.900 -0.284 0.000 1.352 1003 G CA -0.920 43.977 45.100 -0.338 0.000 0.789 1003 G HN 0.254 nan 8.290 nan 0.000 0.509 1004 P HA 0.007 nan 4.420 nan 0.000 0.225 1004 P C 0.452 177.445 177.300 -0.513 0.000 1.148 1004 P CA 1.070 63.975 63.100 -0.325 0.000 0.779 1004 P CB 0.163 31.681 31.700 -0.303 0.000 0.780 1005 W N -0.946 120.276 121.300 -0.131 0.000 3.008 1005 W HA 0.417 5.077 4.660 -0.001 0.000 0.355 1005 W C 1.049 177.572 176.519 0.006 0.000 1.095 1005 W CA 0.537 57.862 57.345 -0.034 0.000 1.738 1005 W CB 0.747 30.157 29.460 -0.084 0.000 1.091 1005 W HN -0.020 nan 8.180 nan 0.000 0.574 1006 G N 1.244 110.093 108.800 0.081 0.000 2.428 1006 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.202 1006 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.202 1006 G C -0.388 174.522 174.900 0.016 0.000 1.247 1006 G CA -0.592 44.559 45.100 0.085 0.000 1.020 1006 G HN 0.158 nan 8.290 nan 0.000 0.529 1007 N N 0.437 119.203 118.700 0.111 0.000 2.294 1007 N HA 0.577 5.316 4.740 -0.001 0.000 0.248 1007 N C 1.673 177.200 175.510 0.029 0.000 1.300 1007 N CA 0.936 54.034 53.050 0.080 0.000 0.925 1007 N CB 0.299 38.902 38.487 0.193 0.000 1.188 1007 N HN 1.636 nan 8.380 nan 0.000 0.512 1008 A N -0.263 122.557 122.820 0.001 0.000 2.024 1008 A HA -0.197 4.122 4.320 -0.001 0.000 0.220 1008 A C 2.106 179.711 177.584 0.036 0.000 1.164 1008 A CA 1.215 53.236 52.037 -0.028 0.000 0.643 1008 A CB -0.623 18.342 19.000 -0.057 0.000 0.806 1008 A HN 0.690 nan 8.150 nan 0.000 0.451 1009 R N -0.587 119.944 120.500 0.051 0.000 2.064 1009 R HA -0.102 4.238 4.340 -0.001 0.000 0.228 1009 R C 2.565 178.950 176.300 0.142 0.000 1.144 1009 R CA 2.015 58.157 56.100 0.070 0.000 0.932 1009 R CB -1.215 29.095 30.300 0.017 0.000 0.833 1009 R HN 0.706 nan 8.270 nan 0.000 0.429 1010 T N -0.150 114.511 114.554 0.179 0.000 2.759 1010 T HA -0.164 4.186 4.350 -0.001 0.000 0.269 1010 T C 2.025 176.873 174.700 0.247 0.000 1.042 1010 T CA 0.961 63.252 62.100 0.318 0.000 1.140 1010 T CB -0.211 68.870 68.868 0.355 0.000 0.864 1010 T HN 0.076 nan 8.240 nan 0.000 0.455 1011 R N -0.067 120.519 120.500 0.143 0.000 2.096 1011 R HA -0.071 4.268 4.340 -0.001 0.000 0.235 1011 R C 2.238 178.505 176.300 -0.056 0.000 1.127 1011 R CA 1.473 57.587 56.100 0.024 0.000 0.968 1011 R CB -0.856 29.416 30.300 -0.047 0.000 0.861 1011 R HN 0.780 nan 8.270 nan 0.000 0.440 1012 W N 1.919 123.128 121.300 -0.152 0.000 2.379 1012 W HA -0.163 4.497 4.660 -0.001 0.000 0.307 1012 W C 1.437 177.813 176.519 -0.238 0.000 1.200 1012 W CA 1.159 58.401 57.345 -0.171 0.000 1.297 1012 W CB -0.144 29.235 29.460 -0.136 0.000 1.140 1012 W HN 0.157 nan 8.180 nan 0.000 0.507 1013 E N 0.424 120.442 120.200 -0.303 0.000 2.086 1013 E HA -0.349 4.000 4.350 -0.001 0.000 0.205 1013 E C 1.985 178.208 176.600 -0.628 0.000 1.027 1013 E CA 2.313 58.390 56.400 -0.539 0.000 0.830 1013 E CB -0.604 28.941 29.700 -0.257 0.000 0.751 1013 E HN 0.236 nan 8.360 nan 0.000 0.456 1014 M N 0.909 120.115 119.600 -0.657 0.000 2.132 1014 M HA -0.154 4.326 4.480 -0.001 0.000 0.263 1014 M C 2.017 177.943 176.300 -0.623 0.000 1.065 1014 M CA 1.631 56.441 55.300 -0.817 0.000 1.122 1014 M CB -0.073 31.817 32.600 -1.183 0.000 1.365 1014 M HN 0.006 nan 8.290 nan 0.000 0.411 1015 E N -0.930 118.931 120.200 -0.564 0.000 2.204 1015 E HA -0.143 4.206 4.350 -0.001 0.000 0.194 1015 E C 1.488 177.823 176.600 -0.443 0.000 0.989 1015 E CA 1.209 57.352 56.400 -0.428 0.000 0.824 1015 E CB 0.041 29.552 29.700 -0.316 0.000 0.756 1015 E HN 0.578 nan 8.360 nan 0.000 0.477 1016 A N -0.316 122.091 122.820 -0.689 0.000 1.944 1016 A HA 0.047 4.366 4.320 -0.001 0.000 0.209 1016 A C 1.508 178.996 177.584 -0.160 0.000 1.328 1016 A CA 0.282 51.945 52.037 -0.624 0.000 0.693 1016 A CB -0.368 17.875 19.000 -1.261 0.000 0.994 1016 A HN 0.283 nan 8.150 nan 0.000 0.485 1017 Y N -0.701 119.313 120.300 -0.477 0.000 2.448 1017 Y HA 0.331 4.880 4.550 -0.001 0.000 0.289 1017 Y C 2.091 177.818 175.900 -0.289 0.000 1.114 1017 Y CA 0.123 58.034 58.100 -0.315 0.000 1.235 1017 Y CB -0.484 37.825 38.460 -0.252 0.000 1.045 1017 Y HN 0.519 nan 8.280 nan 0.000 0.554 1018 G N 0.324 109.004 108.800 -0.201 0.000 2.175 1018 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.244 1018 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.244 1018 G C 0.225 174.956 174.900 -0.281 0.000 0.982 1018 G CA 0.356 45.309 45.100 -0.246 0.000 0.641 1018 G HN 0.475 nan 8.290 nan 0.000 0.527 1019 K N -1.061 119.159 120.400 -0.299 0.000 2.615 1019 K HA 0.678 4.997 4.320 -0.001 0.000 0.291 1019 K C -1.161 175.241 176.600 -0.331 0.000 1.017 1019 K CA -1.271 54.836 56.287 -0.301 0.000 0.882 1019 K CB 0.776 33.220 32.500 -0.094 0.000 1.522 1019 K HN 0.048 nan 8.250 nan 0.000 0.412 1020 F N 1.650 121.587 119.950 -0.021 0.000 2.375 1020 F HA 0.241 4.767 4.527 -0.001 0.000 0.333 1020 F C 1.174 176.984 175.800 0.017 0.000 1.104 1020 F CA -0.123 57.871 58.000 -0.009 0.000 1.149 1020 F CB 1.752 40.774 39.000 0.037 0.000 1.190 1020 F HN 0.675 nan 8.300 nan 0.000 0.533 1021 S N 3.005 118.838 115.700 0.222 0.000 2.669 1021 S HA 0.195 4.664 4.470 -0.001 0.000 0.270 1021 S C 0.964 175.663 174.600 0.165 0.000 1.225 1021 S CA -0.918 57.377 58.200 0.159 0.000 0.991 1021 S CB 1.027 64.296 63.200 0.116 0.000 0.987 1021 S HN 0.700 nan 8.310 nan 0.000 0.552 1022 L N 0.595 121.899 121.223 0.134 0.000 2.079 1022 L HA -0.109 4.230 4.340 -0.001 0.000 0.210 1022 L C 2.272 179.215 176.870 0.121 0.000 1.081 1022 L CA 2.138 57.053 54.840 0.125 0.000 0.752 1022 L CB -1.596 40.536 42.059 0.122 0.000 0.896 1022 L HN 0.800 nan 8.230 nan 0.000 0.433 1023 E N -0.332 119.943 120.200 0.125 0.000 2.051 1023 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 1023 E C 2.074 178.733 176.600 0.099 0.000 0.991 1023 E CA 1.267 57.740 56.400 0.122 0.000 0.799 1023 E CB -0.768 29.000 29.700 0.112 0.000 0.748 1023 E HN 0.559 nan 8.360 nan 0.000 0.449 1024 G N 0.305 109.175 108.800 0.118 0.000 2.514 1024 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.217 1024 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.217 1024 G C 1.838 176.690 174.900 -0.080 0.000 1.198 1024 G CA 1.236 46.406 45.100 0.116 0.000 0.780 1024 G HN 0.380 nan 8.290 nan 0.000 0.565 1025 C N -0.278 118.993 119.300 -0.050 0.000 2.385 1025 C HA -0.073 4.386 4.460 -0.001 0.000 0.275 1025 C C 3.123 178.047 174.990 -0.110 0.000 1.207 1025 C CA 0.920 59.866 59.018 -0.119 0.000 1.760 1025 C CB -1.096 26.661 27.740 0.028 0.000 2.051 1025 C HN 0.293 nan 8.230 nan 0.000 0.467 1026 V N 0.575 120.464 119.914 -0.042 0.000 2.332 1026 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 1026 V C 2.431 178.468 176.094 -0.095 0.000 1.055 1026 V CA 2.001 64.244 62.300 -0.095 0.000 1.038 1026 V CB -0.702 31.148 31.823 0.045 0.000 0.651 1026 V HN 0.612 nan 8.190 nan 0.000 0.450 1027 E N -0.615 119.577 120.200 -0.014 0.000 2.023 1027 E HA -0.236 4.113 4.350 -0.001 0.000 0.196 1027 E C 2.355 178.999 176.600 0.074 0.000 1.003 1027 E CA 1.542 57.973 56.400 0.052 0.000 0.809 1027 E CB -0.228 29.526 29.700 0.090 0.000 0.755 1027 E HN 0.388 nan 8.360 nan 0.000 0.449 1028 M N 0.429 119.986 119.600 -0.071 0.000 2.073 1028 M HA -0.185 4.294 4.480 -0.001 0.000 0.258 1028 M C 2.538 178.769 176.300 -0.115 0.000 1.070 1028 M CA 1.542 56.778 55.300 -0.107 0.000 1.103 1028 M CB -1.366 31.032 32.600 -0.337 0.000 1.321 1028 M HN 0.107 nan 8.290 nan 0.000 0.405 1029 A N -1.139 121.559 122.820 -0.203 0.000 1.986 1029 A HA -0.234 4.085 4.320 -0.001 0.000 0.220 1029 A C 2.050 179.421 177.584 -0.355 0.000 1.171 1029 A CA 1.769 53.593 52.037 -0.355 0.000 0.640 1029 A CB -1.226 17.493 19.000 -0.469 0.000 0.811 1029 A HN 0.738 nan 8.150 nan 0.000 0.451 1030 W N 0.980 122.018 121.300 -0.437 0.000 2.408 1030 W HA -0.166 4.494 4.660 -0.001 0.000 0.311 1030 W C 2.343 178.668 176.519 -0.325 0.000 1.190 1030 W CA 1.976 59.064 57.345 -0.427 0.000 1.321 1030 W CB -0.261 28.982 29.460 -0.361 0.000 1.143 1030 W HN 0.416 nan 8.180 nan 0.000 0.501 1031 M N -0.600 118.944 119.600 -0.093 0.000 2.319 1031 M HA -0.041 4.438 4.480 -0.001 0.000 0.265 1031 M C 1.746 177.851 176.300 -0.326 0.000 1.068 1031 M CA 1.739 56.823 55.300 -0.360 0.000 1.118 1031 M CB -0.767 31.988 32.600 0.257 0.000 1.395 1031 M HN 0.048 nan 8.290 nan 0.000 0.435 1032 M N 0.791 120.267 119.600 -0.206 0.000 2.562 1032 M HA 0.160 4.639 4.480 -0.001 0.000 0.257 1032 M C 0.963 177.089 176.300 -0.291 0.000 1.099 1032 M CA 1.061 56.263 55.300 -0.163 0.000 1.099 1032 M CB 0.118 32.657 32.600 -0.102 0.000 1.427 1032 M HN 0.758 nan 8.290 nan 0.000 0.489 1033 G N 0.629 109.175 108.800 -0.424 0.000 2.142 1033 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.225 1033 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.225 1033 G C 0.455 175.110 174.900 -0.410 0.000 1.015 1033 G CA -0.044 44.792 45.100 -0.440 0.000 0.716 1033 G HN 0.469 nan 8.290 nan 0.000 0.508 1034 L N -0.419 120.506 121.223 -0.496 0.000 2.375 1034 L HA 0.425 4.764 4.340 -0.001 0.000 0.215 1034 L C 1.541 178.069 176.870 -0.571 0.000 1.108 1034 L CA 0.886 55.365 54.840 -0.602 0.000 0.830 1034 L CB -0.186 41.324 42.059 -0.915 0.000 0.959 1034 L HN 0.601 nan 8.230 nan 0.000 0.457 1035 I N -1.527 118.728 120.570 -0.524 0.000 2.802 1035 I HA 0.546 4.715 4.170 -0.001 0.000 0.298 1035 I C -1.214 174.761 176.117 -0.236 0.000 1.176 1035 I CA -0.820 60.253 61.300 -0.378 0.000 1.025 1035 I CB 2.376 40.030 38.000 -0.578 0.000 1.243 1035 I HN -0.039 nan 8.210 nan 0.000 0.424 1036 K N 2.911 123.341 120.400 0.049 0.000 2.508 1036 K HA 0.415 4.735 4.320 -0.001 0.000 0.260 1036 K C -1.448 175.454 176.600 0.504 0.000 0.949 1036 K CA -0.820 55.611 56.287 0.238 0.000 0.834 1036 K CB 2.024 34.563 32.500 0.064 0.000 1.365 1036 K HN 0.688 nan 8.250 nan 0.000 0.437 1037 N N 1.686 120.704 118.700 0.530 0.000 2.479 1037 N HA -0.013 4.727 4.740 -0.001 0.000 0.257 1037 N C -1.150 174.503 175.510 0.239 0.000 1.232 1037 N CA 0.239 53.462 53.050 0.289 0.000 0.920 1037 N CB 0.551 39.064 38.487 0.043 0.000 1.105 1037 N HN 0.664 nan 8.380 nan 0.000 0.444 1038 H N 2.370 121.491 119.070 0.084 0.000 2.806 1038 H HA 0.226 4.782 4.556 -0.001 0.000 0.367 1038 H C -1.337 173.990 175.328 -0.002 0.000 1.136 1038 H CA -0.491 55.608 56.048 0.085 0.000 1.178 1038 H CB 1.151 31.031 29.762 0.196 0.000 1.718 1038 H HN 0.738 nan 8.280 nan 0.000 0.540 1039 N N 3.280 121.663 118.700 -0.529 0.000 2.697 1039 N HA 0.316 5.055 4.740 -0.001 0.000 0.253 1039 N C -1.077 174.222 175.510 -0.352 0.000 1.604 1039 N CA -0.167 52.685 53.050 -0.331 0.000 0.772 1039 N CB 0.677 39.035 38.487 -0.214 0.000 1.267 1039 N HN 0.789 nan 8.380 nan 0.000 0.510 1040 G N 0.951 109.544 108.800 -0.345 0.000 2.561 1040 G HA2 0.369 4.328 3.960 -0.001 0.000 0.310 1040 G HA3 0.369 4.328 3.960 -0.001 0.000 0.310 1040 G C -3.285 171.739 174.900 0.207 0.000 1.292 1040 G CA -0.636 44.405 45.100 -0.099 0.000 0.811 1040 G HN -0.022 nan 8.290 nan 0.000 0.482 1041 P HA 0.383 nan 4.420 nan 0.000 0.276 1041 P C -0.540 176.897 177.300 0.228 0.000 1.243 1041 P CA -0.081 63.129 63.100 0.183 0.000 0.768 1041 P CB 0.835 32.596 31.700 0.101 0.000 0.856 1042 L N 5.209 126.528 121.223 0.161 0.000 2.295 1042 L HA 0.269 4.608 4.340 -0.001 0.000 0.281 1042 L C 0.299 177.164 176.870 -0.009 0.000 1.018 1042 L CA -0.661 54.187 54.840 0.013 0.000 0.841 1042 L CB 0.719 42.715 42.059 -0.106 0.000 1.218 1042 L HN 0.474 nan 8.230 nan 0.000 0.424 1043 K N 3.216 123.609 120.400 -0.011 0.000 3.244 1043 K HA -0.228 4.091 4.320 -0.001 0.000 0.270 1043 K C 0.901 177.506 176.600 0.007 0.000 1.016 1043 K CA 0.748 57.029 56.287 -0.011 0.000 0.754 1043 K CB -1.403 31.078 32.500 -0.032 0.000 1.326 1043 K HN 1.155 nan 8.250 nan 0.000 0.465 1044 G N -0.290 108.524 108.800 0.024 0.000 3.444 1044 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.222 1044 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.222 1044 G C 0.049 174.972 174.900 0.039 0.000 1.358 1044 G CA 0.637 45.754 45.100 0.028 0.000 0.880 1044 G HN 0.375 nan 8.290 nan 0.000 0.555 1045 K N 2.402 122.826 120.400 0.040 0.000 2.270 1045 K HA 0.476 4.795 4.320 -0.001 0.000 0.276 1045 K C -2.444 174.211 176.600 0.093 0.000 1.023 1045 K CA -1.400 54.920 56.287 0.055 0.000 0.955 1045 K CB 0.965 33.492 32.500 0.046 0.000 0.975 1045 K HN 0.214 nan 8.250 nan 0.000 0.471 1046 P HA 0.101 nan 4.420 nan 0.000 0.274 1046 P C -1.461 175.973 177.300 0.223 0.000 1.246 1046 P CA -0.217 62.962 63.100 0.132 0.000 0.795 1046 P CB 0.345 32.089 31.700 0.073 0.000 1.006 1047 Y N -0.412 119.937 120.300 0.081 0.000 2.620 1047 Y HA 0.469 5.018 4.550 -0.001 0.000 0.331 1047 Y C -1.619 174.342 175.900 0.101 0.000 1.173 1047 Y CA -0.442 57.712 58.100 0.091 0.000 1.076 1047 Y CB 1.364 39.890 38.460 0.110 0.000 1.336 1047 Y HN 0.507 nan 8.280 nan 0.000 0.459 1048 S N 3.496 118.674 115.700 -0.870 0.000 2.540 1048 S HA 0.975 5.444 4.470 -0.001 0.000 0.275 1048 S C -0.435 173.605 174.600 -0.933 0.000 1.123 1048 S CA 0.118 57.919 58.200 -0.664 0.000 0.907 1048 S CB 1.653 64.641 63.200 -0.353 0.000 1.081 1048 S HN 2.147 nan 8.310 nan 0.000 0.476 1049 G N 1.755 110.247 108.800 -0.512 0.000 2.280 1049 G HA2 0.029 3.988 3.960 -0.001 0.000 0.277 1049 G HA3 0.029 3.988 3.960 -0.001 0.000 0.277 1049 G C -1.457 173.447 174.900 0.006 0.000 1.288 1049 G CA -0.804 44.063 45.100 -0.389 0.000 1.075 1049 G HN 0.839 nan 8.290 nan 0.000 0.480 1050 W N -0.046 121.359 121.300 0.174 0.000 2.216 1050 W HA 0.507 5.166 4.660 -0.001 0.000 0.326 1050 W C 0.312 176.980 176.519 0.248 0.000 1.319 1050 W CA -0.634 56.825 57.345 0.190 0.000 1.213 1050 W CB 1.244 30.795 29.460 0.152 0.000 1.171 1050 W HN 0.302 nan 8.180 nan 0.000 0.557 1051 V N 3.307 123.515 119.914 0.491 0.000 2.709 1051 V HA 0.033 4.153 4.120 -0.001 0.000 0.308 1051 V C -0.371 175.807 176.094 0.140 0.000 1.062 1051 V CA -0.892 61.560 62.300 0.253 0.000 0.901 1051 V CB 1.929 33.864 31.823 0.187 0.000 1.003 1051 V HN 0.368 nan 8.190 nan 0.000 0.425 1052 D N 3.154 123.610 120.400 0.094 0.000 2.472 1052 D HA 0.207 4.847 4.640 -0.001 0.000 0.248 1052 D C 1.060 177.355 176.300 -0.009 0.000 1.174 1052 D CA 0.772 54.811 54.000 0.065 0.000 0.883 1052 D CB 1.820 42.676 40.800 0.095 0.000 1.149 1052 D HN 0.662 nan 8.370 nan 0.000 0.488 1053 A N 4.988 127.760 122.820 -0.079 0.000 1.933 1053 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 1053 A C 2.015 179.553 177.584 -0.076 0.000 1.175 1053 A CA 1.432 53.410 52.037 -0.097 0.000 0.628 1053 A CB -0.238 18.657 19.000 -0.177 0.000 0.814 1053 A HN 0.660 nan 8.150 nan 0.000 0.444 1054 K N -1.186 119.173 120.400 -0.068 0.000 1.980 1054 K HA -0.033 4.287 4.320 -0.001 0.000 0.208 1054 K C 0.960 177.539 176.600 -0.035 0.000 1.043 1054 K CA 1.294 57.551 56.287 -0.051 0.000 0.938 1054 K CB -0.287 32.188 32.500 -0.041 0.000 0.724 1054 K HN 0.370 nan 8.250 nan 0.000 0.438 1055 T N -0.845 113.695 114.554 -0.024 0.000 2.845 1055 T HA 0.235 4.584 4.350 -0.001 0.000 0.288 1055 T C 1.121 175.798 174.700 -0.040 0.000 0.980 1055 T CA -0.464 61.619 62.100 -0.029 0.000 1.071 1055 T CB 1.490 70.343 68.868 -0.025 0.000 0.941 1055 T HN 0.359 nan 8.240 nan 0.000 0.487 1056 G N 3.466 112.232 108.800 -0.055 0.000 2.537 1056 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.220 1056 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.220 1056 G C 0.587 175.417 174.900 -0.118 0.000 1.111 1056 G CA 0.311 45.358 45.100 -0.087 0.000 0.748 1056 G HN 0.722 nan 8.290 nan 0.000 0.564 1057 E N 0.933 121.079 120.200 -0.090 0.000 2.459 1057 E HA 0.104 4.454 4.350 -0.001 0.000 0.264 1057 E C -2.215 174.320 176.600 -0.109 0.000 1.055 1057 E CA -1.395 54.940 56.400 -0.109 0.000 0.957 1057 E CB 0.246 29.905 29.700 -0.069 0.000 0.952 1057 E HN 0.142 nan 8.360 nan 0.000 0.448 1058 P HA 0.240 nan 4.420 nan 0.000 0.279 1058 P C -0.749 176.556 177.300 0.009 0.000 1.252 1058 P CA -0.454 62.541 63.100 -0.175 0.000 0.811 1058 P CB 0.898 32.235 31.700 -0.605 0.000 1.035 1059 V N 1.685 121.700 119.914 0.168 0.000 2.760 1059 V HA 0.308 4.427 4.120 -0.001 0.000 0.309 1059 V C -0.586 175.671 176.094 0.272 0.000 1.077 1059 V CA -0.588 61.830 62.300 0.196 0.000 0.910 1059 V CB 2.245 34.212 31.823 0.238 0.000 1.008 1059 V HN 0.458 nan 8.190 nan 0.000 0.424 1060 D N 2.446 122.965 120.400 0.198 0.000 2.177 1060 D HA 0.255 4.895 4.640 -0.001 0.000 0.247 1060 D C 0.416 176.846 176.300 0.216 0.000 1.063 1060 D CA -0.250 53.873 54.000 0.204 0.000 0.867 1060 D CB 2.098 42.979 40.800 0.134 0.000 1.168 1060 D HN 0.572 nan 8.370 nan 0.000 0.445 1061 D N 1.177 121.733 120.400 0.260 0.000 2.170 1061 D HA -0.245 4.395 4.640 -0.001 0.000 0.193 1061 D C 1.933 178.333 176.300 0.166 0.000 1.004 1061 D CA 1.632 55.782 54.000 0.251 0.000 0.860 1061 D CB 0.068 41.015 40.800 0.246 0.000 0.931 1061 D HN 0.543 nan 8.370 nan 0.000 0.448 1062 K N 0.266 120.745 120.400 0.131 0.000 2.209 1062 K HA -0.126 4.194 4.320 -0.001 0.000 0.204 1062 K C 0.971 177.618 176.600 0.078 0.000 1.048 1062 K CA 1.414 57.759 56.287 0.096 0.000 0.940 1062 K CB 0.038 32.585 32.500 0.078 0.000 0.729 1062 K HN 0.066 nan 8.250 nan 0.000 0.451 1063 D N 1.218 121.663 120.400 0.076 0.000 2.213 1063 D HA -0.050 4.589 4.640 -0.001 0.000 0.205 1063 D C 2.119 178.429 176.300 0.017 0.000 0.961 1063 D CA 0.574 54.593 54.000 0.032 0.000 0.853 1063 D CB -0.176 40.634 40.800 0.017 0.000 0.967 1063 D HN 0.015 nan 8.370 nan 0.000 0.496 1064 V N 1.616 121.583 119.914 0.089 0.000 2.242 1064 V HA -0.373 3.746 4.120 -0.001 0.000 0.257 1064 V C 2.536 178.698 176.094 0.114 0.000 1.073 1064 V CA 2.219 64.616 62.300 0.162 0.000 1.058 1064 V CB -0.451 31.468 31.823 0.161 0.000 0.664 1064 V HN 0.167 nan 8.190 nan 0.000 0.451 1065 K N -0.733 119.724 120.400 0.095 0.000 2.074 1065 K HA -0.217 4.103 4.320 -0.001 0.000 0.209 1065 K C 2.112 178.745 176.600 0.054 0.000 1.048 1065 K CA 1.725 58.067 56.287 0.092 0.000 0.926 1065 K CB -0.372 32.183 32.500 0.091 0.000 0.713 1065 K HN 0.530 nan 8.250 nan 0.000 0.444 1066 A N 0.785 123.609 122.820 0.007 0.000 1.872 1066 A HA -0.117 4.202 4.320 -0.001 0.000 0.214 1066 A C 1.932 179.461 177.584 -0.093 0.000 1.187 1066 A CA 1.327 53.350 52.037 -0.023 0.000 0.614 1066 A CB -0.316 18.669 19.000 -0.026 0.000 0.826 1066 A HN 0.188 nan 8.150 nan 0.000 0.442 1067 K N -1.789 118.466 120.400 -0.242 0.000 2.057 1067 K HA -0.146 4.174 4.320 -0.001 0.000 0.207 1067 K C 1.376 177.689 176.600 -0.478 0.000 1.049 1067 K CA 1.841 57.815 56.287 -0.522 0.000 0.931 1067 K CB -0.189 31.669 32.500 -1.069 0.000 0.714 1067 K HN 0.677 nan 8.250 nan 0.000 0.440 1068 Y N -0.610 119.699 120.300 0.016 0.000 2.483 1068 Y HA 0.139 4.688 4.550 -0.001 0.000 0.258 1068 Y C 1.917 177.874 175.900 0.094 0.000 1.083 1068 Y CA -0.323 57.789 58.100 0.019 0.000 1.283 1068 Y CB -0.014 38.407 38.460 -0.065 0.000 1.178 1068 Y HN 0.060 nan 8.280 nan 0.000 0.515 1069 E N 1.617 121.940 120.200 0.204 0.000 2.070 1069 E HA -0.315 4.034 4.350 -0.001 0.000 0.197 1069 E C 2.109 178.842 176.600 0.221 0.000 1.004 1069 E CA 1.888 58.410 56.400 0.204 0.000 0.805 1069 E CB 0.052 29.853 29.700 0.169 0.000 0.744 1069 E HN 0.397 nan 8.360 nan 0.000 0.451 1070 K N -0.297 120.212 120.400 0.182 0.000 2.020 1070 K HA -0.268 4.052 4.320 -0.001 0.000 0.212 1070 K C 2.160 178.875 176.600 0.192 0.000 1.050 1070 K CA 1.872 58.253 56.287 0.157 0.000 0.929 1070 K CB -0.535 32.035 32.500 0.116 0.000 0.714 1070 K HN 0.254 nan 8.250 nan 0.000 0.443 1071 Y N 1.341 121.720 120.300 0.131 0.000 2.049 1071 Y HA -0.256 4.293 4.550 -0.001 0.000 0.277 1071 Y C 1.952 177.964 175.900 0.186 0.000 1.143 1071 Y CA 2.214 60.426 58.100 0.185 0.000 1.115 1071 Y CB -0.162 38.430 38.460 0.220 0.000 0.975 1071 Y HN 0.042 nan 8.280 nan 0.000 0.487 1072 I N 0.334 121.233 120.570 0.549 0.000 2.143 1072 I HA -0.409 3.760 4.170 -0.001 0.000 0.245 1072 I C 2.279 178.569 176.117 0.289 0.000 1.068 1072 I CA 1.812 63.343 61.300 0.386 0.000 1.326 1072 I CB -0.739 37.384 38.000 0.205 0.000 1.028 1072 I HN 0.386 nan 8.210 nan 0.000 0.412 1073 L N -0.039 121.352 121.223 0.280 0.000 2.156 1073 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 1073 L C 2.575 179.506 176.870 0.101 0.000 1.095 1073 L CA 1.154 56.170 54.840 0.293 0.000 0.770 1073 L CB -0.606 41.625 42.059 0.286 0.000 0.914 1073 L HN 0.315 nan 8.230 nan 0.000 0.439 1074 E N -0.349 119.831 120.200 -0.032 0.000 2.107 1074 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 1074 E C 1.195 177.533 176.600 -0.436 0.000 0.982 1074 E CA 0.730 56.974 56.400 -0.259 0.000 0.809 1074 E CB 0.253 29.711 29.700 -0.404 0.000 0.756 1074 E HN 0.545 nan 8.360 nan 0.000 0.459 1075 H N -0.154 118.808 119.070 -0.181 0.000 2.524 1075 H HA 0.215 4.770 4.556 -0.001 0.000 0.299 1075 H C -0.193 175.068 175.328 -0.111 0.000 1.074 1075 H CA 0.261 56.202 56.048 -0.178 0.000 1.115 1075 H CB 0.363 29.956 29.762 -0.281 0.000 1.522 1075 H HN 0.040 nan 8.280 nan 0.000 0.543 1076 S N -1.394 114.239 115.700 -0.111 0.000 2.651 1076 S HA 0.724 5.193 4.470 -0.001 0.000 0.279 1076 S C 0.429 174.580 174.600 -0.749 0.000 1.148 1076 S CA -0.339 57.651 58.200 -0.351 0.000 0.837 1076 S CB 3.215 66.234 63.200 -0.301 0.000 1.138 1076 S HN 0.487 nan 8.310 nan 0.000 0.478 1077 G N 0.357 108.457 108.800 -1.168 0.000 2.627 1077 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.214 1077 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.214 1077 G C -0.731 173.892 174.900 -0.462 0.000 1.331 1077 G CA -0.531 43.812 45.100 -1.262 0.000 0.891 1077 G HN 1.119 nan 8.290 nan 0.000 0.539 1078 I N 2.435 122.887 120.570 -0.197 0.000 2.578 1078 I HA 0.312 4.481 4.170 -0.001 0.000 0.286 1078 I C 1.265 177.331 176.117 -0.085 0.000 1.126 1078 I CA 0.463 61.709 61.300 -0.091 0.000 1.380 1078 I CB -0.160 37.840 38.000 0.000 0.000 1.408 1078 I HN 0.673 nan 8.210 nan 0.000 0.532 1079 R N 5.394 125.839 120.500 -0.092 0.000 2.831 1079 R HA 0.619 4.958 4.340 -0.001 0.000 0.266 1079 R C -1.166 175.119 176.300 -0.025 0.000 1.051 1079 R CA -1.190 54.877 56.100 -0.056 0.000 0.943 1079 R CB 1.045 31.299 30.300 -0.076 0.000 1.228 1079 R HN 0.256 nan 8.270 nan 0.000 0.467 1080 L N 1.923 123.154 121.223 0.012 0.000 2.525 1080 L HA 0.130 4.469 4.340 -0.001 0.000 0.278 1080 L C 0.493 177.385 176.870 0.037 0.000 1.218 1080 L CA -0.023 54.838 54.840 0.035 0.000 0.878 1080 L CB 0.190 42.271 42.059 0.036 0.000 1.127 1080 L HN 0.423 nan 8.230 nan 0.000 0.492 1081 I N 3.737 124.328 120.570 0.035 0.000 2.668 1081 I HA -0.055 4.114 4.170 -0.001 0.000 0.285 1081 I C 0.396 176.613 176.117 0.167 0.000 1.168 1081 I CA 0.440 61.796 61.300 0.094 0.000 1.424 1081 I CB 0.020 38.062 38.000 0.071 0.000 1.377 1081 I HN 0.613 nan 8.210 nan 0.000 0.560 1082 E N 8.408 128.788 120.200 0.301 0.000 2.073 1082 E HA 0.209 4.558 4.350 -0.001 0.000 0.269 1082 E C -1.892 174.934 176.600 0.376 0.000 0.917 1082 E CA -1.712 54.843 56.400 0.257 0.000 0.757 1082 E CB 1.317 31.133 29.700 0.193 0.000 1.111 1082 E HN 0.384 nan 8.360 nan 0.000 0.410 1083 P HA -0.210 nan 4.420 nan 0.000 0.216 1083 P C 0.604 178.065 177.300 0.270 0.000 1.150 1083 P CA 1.205 64.489 63.100 0.306 0.000 0.837 1083 P CB 0.321 32.115 31.700 0.157 0.000 0.786 1084 E N -0.241 120.056 120.200 0.162 0.000 2.160 1084 E HA -0.137 4.213 4.350 -0.001 0.000 0.195 1084 E C 1.729 178.358 176.600 0.049 0.000 0.991 1084 E CA 0.884 57.338 56.400 0.091 0.000 0.810 1084 E CB -1.243 28.487 29.700 0.049 0.000 0.742 1084 E HN 0.280 nan 8.360 nan 0.000 0.466 1085 L N -0.631 120.601 121.223 0.015 0.000 2.622 1085 L HA 0.052 4.392 4.340 -0.001 0.000 0.233 1085 L C 0.300 176.797 176.870 -0.621 0.000 1.156 1085 L CA 0.416 55.083 54.840 -0.290 0.000 0.866 1085 L CB 0.009 41.829 42.059 -0.399 0.000 0.980 1085 L HN 0.099 nan 8.230 nan 0.000 0.448 1086 F N -1.100 118.961 119.950 0.184 0.000 2.671 1086 F HA 0.320 4.846 4.527 -0.001 0.000 0.384 1086 F C 1.321 177.215 175.800 0.158 0.000 1.351 1086 F CA -0.551 57.569 58.000 0.200 0.000 1.151 1086 F CB 0.406 39.594 39.000 0.312 0.000 1.147 1086 F HN -0.060 nan 8.300 nan 0.000 0.513 1087 G N 0.726 109.647 108.800 0.202 0.000 2.422 1087 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.301 1087 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.301 1087 G C 1.257 176.260 174.900 0.171 0.000 0.981 1087 G CA 0.726 45.914 45.100 0.147 0.000 0.994 1087 G HN 1.451 nan 8.290 nan 0.000 0.514 1088 G N -2.004 106.920 108.800 0.206 0.000 2.176 1088 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.232 1088 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.232 1088 G C 0.487 175.516 174.900 0.215 0.000 0.986 1088 G CA 0.443 45.647 45.100 0.172 0.000 0.643 1088 G HN 1.999 nan 8.290 nan 0.000 0.522 1089 Y N 2.301 122.697 120.300 0.161 0.000 2.810 1089 Y HA 0.415 4.965 4.550 -0.001 0.000 0.332 1089 Y C -0.053 175.921 175.900 0.123 0.000 1.243 1089 Y CA 0.202 58.375 58.100 0.121 0.000 1.537 1089 Y CB 0.756 39.280 38.460 0.107 0.000 1.265 1089 Y HN 0.190 nan 8.280 nan 0.000 0.572 1090 D N 8.096 128.217 120.400 -0.465 0.000 2.478 1090 D HA 0.261 4.900 4.640 -0.001 0.000 0.240 1090 D C -2.482 173.490 176.300 -0.548 0.000 1.364 1090 D CA -2.053 51.679 54.000 -0.447 0.000 0.987 1090 D CB 2.055 42.768 40.800 -0.145 0.000 1.328 1090 D HN 0.248 nan 8.370 nan 0.000 0.584 1091 P HA -0.065 nan 4.420 nan 0.000 0.220 1091 P C 0.910 178.216 177.300 0.011 0.000 1.144 1091 P CA 0.696 63.679 63.100 -0.195 0.000 0.800 1091 P CB 0.352 32.028 31.700 -0.039 0.000 0.772 1092 N N -0.240 118.420 118.700 -0.068 0.000 2.494 1092 N HA -0.032 4.707 4.740 -0.001 0.000 0.182 1092 N C 0.497 176.005 175.510 -0.005 0.000 1.076 1092 N CA 0.566 53.604 53.050 -0.020 0.000 0.908 1092 N CB 0.043 38.501 38.487 -0.047 0.000 0.967 1092 N HN 0.341 nan 8.380 nan 0.000 0.449 1093 R N -0.040 120.447 120.500 -0.021 0.000 2.718 1093 R HA 0.289 4.628 4.340 -0.001 0.000 0.266 1093 R C -0.959 175.349 176.300 0.014 0.000 1.776 1093 R CA -0.697 55.404 56.100 0.001 0.000 1.567 1093 R CB 0.218 30.513 30.300 -0.008 0.000 1.336 1093 R HN -0.268 nan 8.270 nan 0.000 0.619 1094 K N 2.363 122.792 120.400 0.048 0.000 2.315 1094 K HA 0.011 4.330 4.320 -0.001 0.000 0.291 1094 K C -0.246 176.346 176.600 -0.014 0.000 1.074 1094 K CA -0.025 56.290 56.287 0.047 0.000 0.936 1094 K CB 0.764 33.285 32.500 0.035 0.000 1.049 1094 K HN 0.513 nan 8.250 nan 0.000 0.471 1095 Q N 5.174 124.970 119.800 -0.008 0.000 2.297 1095 Q HA 0.153 4.492 4.340 -0.001 0.000 0.267 1095 Q C -0.810 175.146 176.000 -0.073 0.000 1.006 1095 Q CA -0.086 55.701 55.803 -0.027 0.000 0.896 1095 Q CB 0.508 29.243 28.738 -0.005 0.000 1.186 1095 Q HN 0.611 nan 8.270 nan 0.000 0.392 1096 L N 3.585 124.770 121.223 -0.064 0.000 2.235 1096 L HA 0.619 4.958 4.340 -0.001 0.000 0.260 1096 L C -0.576 176.272 176.870 -0.036 0.000 1.025 1096 L CA -1.313 53.483 54.840 -0.074 0.000 0.836 1096 L CB 1.541 43.552 42.059 -0.080 0.000 1.395 1096 L HN 0.638 nan 8.230 nan 0.000 0.443 1097 L N 0.929 122.137 121.223 -0.026 0.000 2.386 1097 L HA 0.486 4.825 4.340 -0.001 0.000 0.271 1097 L C -0.783 176.087 176.870 -0.000 0.000 0.993 1097 L CA -0.419 54.418 54.840 -0.005 0.000 0.819 1097 L CB 2.269 44.337 42.059 0.015 0.000 1.294 1097 L HN 0.554 nan 8.230 nan 0.000 0.414 1098 Q N 2.234 122.037 119.800 0.005 0.000 2.333 1098 Q HA 0.304 4.643 4.340 -0.001 0.000 0.267 1098 Q C -0.941 175.070 176.000 0.018 0.000 1.012 1098 Q CA -0.681 55.128 55.803 0.009 0.000 0.824 1098 Q CB 2.069 30.811 28.738 0.006 0.000 1.290 1098 Q HN 0.506 nan 8.270 nan 0.000 0.449 1099 E N 2.020 122.234 120.200 0.024 0.000 2.324 1099 E HA 0.173 4.523 4.350 -0.001 0.000 0.271 1099 E C -0.961 175.655 176.600 0.027 0.000 1.028 1099 E CA -0.074 56.345 56.400 0.032 0.000 0.890 1099 E CB 1.109 30.831 29.700 0.036 0.000 1.004 1099 E HN 0.293 nan 8.360 nan 0.000 0.431 1100 V N 3.586 123.518 119.914 0.029 0.000 2.680 1100 V HA 0.236 4.355 4.120 -0.001 0.000 0.309 1100 V C -0.072 176.041 176.094 0.031 0.000 1.052 1100 V CA -0.943 61.372 62.300 0.024 0.000 0.908 1100 V CB 2.065 33.898 31.823 0.016 0.000 1.001 1100 V HN 0.366 nan 8.190 nan 0.000 0.431 1101 V N 5.381 125.311 119.914 0.027 0.000 2.333 1101 V HA 0.368 4.487 4.120 -0.001 0.000 0.274 1101 V C 0.291 176.397 176.094 0.020 0.000 1.028 1101 V CA -0.364 61.953 62.300 0.030 0.000 0.851 1101 V CB 1.014 32.855 31.823 0.029 0.000 1.000 1101 V HN 0.658 nan 8.190 nan 0.000 0.456 1102 I N 4.182 124.762 120.570 0.017 0.000 2.845 1102 I HA -0.003 4.166 4.170 -0.001 0.000 0.296 1102 I C 0.915 177.036 176.117 0.007 0.000 1.216 1102 I CA 0.689 61.993 61.300 0.006 0.000 1.438 1102 I CB 0.241 38.239 38.000 -0.004 0.000 1.342 1102 I HN 0.671 nan 8.210 nan 0.000 0.577 1103 E N 6.268 126.470 120.200 0.005 0.000 3.105 1103 E HA 0.156 4.506 4.350 -0.001 0.000 0.219 1103 E C -0.680 175.922 176.600 0.003 0.000 1.064 1103 E CA -0.237 56.167 56.400 0.006 0.000 1.342 1103 E CB 0.425 30.129 29.700 0.007 0.000 1.295 1103 E HN 0.588 nan 8.360 nan 0.000 0.438 1104 Q N -0.878 118.922 119.800 0.000 0.000 2.900 1104 Q HA 0.233 4.572 4.340 -0.001 0.000 0.297 1104 Q C -1.646 174.351 176.000 -0.006 0.000 0.889 1104 Q CA -0.951 54.850 55.803 -0.002 0.000 0.777 1104 Q CB 0.530 29.266 28.738 -0.003 0.000 1.518 1104 Q HN -0.169 nan 8.270 nan 0.000 0.430 1105 D N 1.476 121.872 120.400 -0.007 0.000 2.341 1105 D HA 0.524 5.163 4.640 -0.001 0.000 0.245 1105 D C -0.268 176.026 176.300 -0.011 0.000 1.106 1105 D CA -0.125 53.869 54.000 -0.011 0.000 0.905 1105 D CB 0.979 41.774 40.800 -0.007 0.000 1.202 1105 D HN 0.510 nan 8.370 nan 0.000 0.426 1106 L N -1.229 119.986 121.223 -0.013 0.000 2.322 1106 L HA 0.698 5.037 4.340 -0.001 0.000 0.269 1106 L C 0.112 176.988 176.870 0.009 0.000 1.012 1106 L CA -1.121 53.718 54.840 -0.002 0.000 0.815 1106 L CB 1.320 43.378 42.059 -0.002 0.000 1.295 1106 L HN -0.006 nan 8.230 nan 0.000 0.438 1107 E N 1.502 121.713 120.200 0.019 0.000 2.418 1107 E HA 0.230 4.579 4.350 -0.001 0.000 0.261 1107 E C -2.295 174.340 176.600 0.059 0.000 1.070 1107 E CA -0.919 55.496 56.400 0.026 0.000 0.931 1107 E CB 0.376 30.090 29.700 0.023 0.000 0.954 1107 E HN 0.524 nan 8.360 nan 0.000 0.439 1108 P HA 0.086 nan 4.420 nan 0.000 0.271 1108 P C -1.139 176.198 177.300 0.061 0.000 1.216 1108 P CA 0.286 63.360 63.100 -0.043 0.000 0.776 1108 P CB 0.245 31.918 31.700 -0.045 0.000 0.881 1109 F N -1.049 118.862 119.950 -0.065 0.000 2.579 1109 F HA 0.610 5.136 4.527 -0.001 0.000 0.324 1109 F C 0.155 175.946 175.800 -0.015 0.000 1.058 1109 F CA -1.400 56.572 58.000 -0.046 0.000 0.944 1109 F CB 1.187 40.147 39.000 -0.067 0.000 1.245 1109 F HN 0.156 nan 8.300 nan 0.000 0.477 1110 E N 0.865 121.168 120.200 0.172 0.000 2.345 1110 E HA 0.655 5.005 4.350 -0.001 0.000 0.259 1110 E C -0.722 175.998 176.600 0.198 0.000 1.117 1110 E CA -0.679 55.786 56.400 0.110 0.000 0.913 1110 E CB 1.521 31.283 29.700 0.103 0.000 1.057 1110 E HN 0.880 nan 8.360 nan 0.000 0.432 1111 A N 0.947 123.866 122.820 0.163 0.000 2.601 1111 A HA 0.395 4.715 4.320 -0.001 0.000 0.291 1111 A C -0.642 177.042 177.584 0.166 0.000 1.075 1111 A CA -0.745 51.418 52.037 0.210 0.000 0.671 1111 A CB 1.080 20.237 19.000 0.263 0.000 1.277 1111 A HN 0.583 nan 8.150 nan 0.000 0.417 1112 S N 0.496 116.273 115.700 0.129 0.000 2.585 1112 S HA 0.242 4.711 4.470 -0.001 0.000 0.273 1112 S C 1.073 175.675 174.600 0.003 0.000 1.339 1112 S CA 0.454 58.702 58.200 0.079 0.000 1.028 1112 S CB 1.006 64.233 63.200 0.045 0.000 0.906 1112 S HN 0.968 nan 8.310 nan 0.000 0.528 1113 K N 1.139 121.518 120.400 -0.035 0.000 2.044 1113 K HA -0.210 4.109 4.320 -0.001 0.000 0.210 1113 K C 1.956 178.353 176.600 -0.338 0.000 1.049 1113 K CA 1.931 57.995 56.287 -0.373 0.000 0.927 1113 K CB -0.269 32.117 32.500 -0.190 0.000 0.713 1113 K HN 0.790 nan 8.250 nan 0.000 0.443 1114 E N 0.368 120.474 120.200 -0.156 0.000 2.058 1114 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 1114 E C 2.268 178.796 176.600 -0.121 0.000 0.997 1114 E CA 1.512 57.837 56.400 -0.126 0.000 0.801 1114 E CB -0.040 29.614 29.700 -0.076 0.000 0.746 1114 E HN 0.465 nan 8.360 nan 0.000 0.450 1115 Q N 0.052 119.809 119.800 -0.072 0.000 2.050 1115 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 1115 Q C 2.237 178.259 176.000 0.038 0.000 0.980 1115 Q CA 1.260 57.032 55.803 -0.051 0.000 0.840 1115 Q CB -0.202 28.586 28.738 0.083 0.000 0.898 1115 Q HN 0.221 nan 8.270 nan 0.000 0.424 1116 A N 1.610 124.463 122.820 0.056 0.000 1.884 1116 A HA -0.307 4.013 4.320 -0.001 0.000 0.219 1116 A C 1.867 179.458 177.584 0.011 0.000 1.197 1116 A CA 1.982 54.059 52.037 0.067 0.000 0.637 1116 A CB -0.705 18.171 19.000 -0.208 0.000 0.827 1116 A HN 0.406 nan 8.150 nan 0.000 0.450 1117 E N -0.467 119.648 120.200 -0.143 0.000 2.070 1117 E HA -0.257 4.092 4.350 -0.001 0.000 0.197 1117 E C 2.028 178.592 176.600 -0.060 0.000 1.004 1117 E CA 1.504 57.836 56.400 -0.114 0.000 0.805 1117 E CB -0.329 29.282 29.700 -0.148 0.000 0.744 1117 E HN 0.765 nan 8.360 nan 0.000 0.451 1118 E N 0.232 120.369 120.200 -0.105 0.000 2.065 1118 E HA -0.212 4.137 4.350 -0.001 0.000 0.201 1118 E C 1.936 178.471 176.600 -0.108 0.000 1.016 1118 E CA 1.367 57.671 56.400 -0.160 0.000 0.818 1118 E CB -0.291 29.239 29.700 -0.283 0.000 0.749 1118 E HN 0.236 nan 8.360 nan 0.000 0.453 1119 F N 0.831 120.794 119.950 0.022 0.000 2.095 1119 F HA -0.220 4.306 4.527 -0.001 0.000 0.298 1119 F C 2.557 178.429 175.800 0.119 0.000 1.104 1119 F CA 1.215 59.282 58.000 0.113 0.000 1.232 1119 F CB -0.059 39.000 39.000 0.098 0.000 0.987 1119 F HN -0.103 nan 8.300 nan 0.000 0.475 1120 K N 0.597 121.134 120.400 0.228 0.000 2.147 1120 K HA -0.172 4.147 4.320 -0.001 0.000 0.205 1120 K C 2.129 178.774 176.600 0.075 0.000 1.049 1120 K CA 1.058 57.413 56.287 0.114 0.000 0.936 1120 K CB -0.176 32.336 32.500 0.020 0.000 0.722 1120 K HN 0.011 nan 8.250 nan 0.000 0.446 1121 R N 0.197 120.718 120.500 0.036 0.000 2.081 1121 R HA -0.181 4.159 4.340 -0.001 0.000 0.235 1121 R C 1.985 178.276 176.300 -0.016 0.000 1.131 1121 R CA 1.996 58.093 56.100 -0.005 0.000 0.960 1121 R CB -0.156 30.123 30.300 -0.034 0.000 0.856 1121 R HN 0.210 nan 8.270 nan 0.000 0.436 1122 E N -0.784 119.397 120.200 -0.031 0.000 2.112 1122 E HA -0.141 4.208 4.350 -0.001 0.000 0.190 1122 E C 1.457 177.936 176.600 -0.202 0.000 0.979 1122 E CA 1.435 57.744 56.400 -0.152 0.000 0.814 1122 E CB 0.075 29.625 29.700 -0.250 0.000 0.762 1122 E HN 0.481 nan 8.360 nan 0.000 0.460 1123 H N -1.089 118.017 119.070 0.060 0.000 2.476 1123 H HA 0.245 4.801 4.556 -0.001 0.000 0.292 1123 H C 1.518 176.862 175.328 0.026 0.000 1.019 1123 H CA 0.813 56.892 56.048 0.052 0.000 1.330 1123 H CB 0.321 30.126 29.762 0.071 0.000 1.451 1123 H HN 0.292 nan 8.280 nan 0.000 0.535 1124 G N 2.254 111.129 108.800 0.126 0.000 2.620 1124 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.315 1124 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.315 1124 G C 1.006 175.937 174.900 0.051 0.000 1.179 1124 G CA 0.855 45.991 45.100 0.061 0.000 0.971 1124 G HN 0.372 nan 8.290 nan 0.000 0.544 1125 D N 0.814 121.241 120.400 0.044 0.000 2.191 1125 D HA -0.078 4.561 4.640 -0.001 0.000 0.195 1125 D C 2.193 178.513 176.300 0.033 0.000 1.003 1125 D CA 1.764 55.784 54.000 0.034 0.000 0.867 1125 D CB -0.132 40.688 40.800 0.034 0.000 0.926 1125 D HN 0.394 nan 8.370 nan 0.000 0.450 1126 K N -0.522 119.912 120.400 0.057 0.000 2.469 1126 K HA 0.236 4.556 4.320 -0.001 0.000 0.201 1126 K C -0.669 175.924 176.600 -0.013 0.000 1.028 1126 K CA -0.092 56.216 56.287 0.036 0.000 1.170 1126 K CB 0.971 33.513 32.500 0.070 0.000 0.874 1126 K HN -0.099 nan 8.250 nan 0.000 0.507 1127 V N 0.431 120.341 119.914 -0.007 0.000 2.888 1127 V HA 0.282 4.402 4.120 -0.001 0.000 0.309 1127 V C -1.033 175.003 176.094 -0.097 0.000 1.114 1127 V CA -1.028 61.230 62.300 -0.070 0.000 0.940 1127 V CB 2.513 34.304 31.823 -0.054 0.000 1.021 1127 V HN 0.083 nan 8.190 nan 0.000 0.426 1128 E N 4.562 124.674 120.200 -0.147 0.000 2.176 1128 E HA 0.681 5.031 4.350 -0.001 0.000 0.267 1128 E C -1.095 175.267 176.600 -0.397 0.000 0.893 1128 E CA -0.508 55.729 56.400 -0.271 0.000 0.761 1128 E CB 2.426 32.085 29.700 -0.069 0.000 1.133 1128 E HN 0.670 nan 8.360 nan 0.000 0.409 1129 I N -0.583 119.629 120.570 -0.597 0.000 2.545 1129 I HA 0.646 4.816 4.170 -0.001 0.000 0.292 1129 I C -1.100 174.619 176.117 -0.663 0.000 1.040 1129 I CA -0.988 60.067 61.300 -0.407 0.000 1.068 1129 I CB 1.159 39.115 38.000 -0.072 0.000 1.251 1129 I HN 0.279 nan 8.210 nan 0.000 0.424 1130 F N 1.672 121.648 119.950 0.043 0.000 2.588 1130 F HA 0.474 5.000 4.527 -0.001 0.000 0.310 1130 F C 0.347 175.815 175.800 -0.552 0.000 1.082 1130 F CA -0.756 57.157 58.000 -0.146 0.000 0.929 1130 F CB 1.690 40.617 39.000 -0.123 0.000 1.254 1130 F HN 0.513 nan 8.300 nan 0.000 0.455 1131 E N 1.479 121.300 120.200 -0.633 0.000 2.418 1131 E HA 0.220 4.570 4.350 -0.001 0.000 0.261 1131 E C -0.689 175.698 176.600 -0.355 0.000 1.070 1131 E CA 0.024 55.891 56.400 -0.887 0.000 0.931 1131 E CB 0.913 30.294 29.700 -0.531 0.000 0.954 1131 E HN 0.423 nan 8.360 nan 0.000 0.439 1132 I N 4.465 124.875 120.570 -0.267 0.000 2.291 1132 I HA 0.087 4.257 4.170 -0.001 0.000 0.290 1132 I C -1.710 174.348 176.117 -0.098 0.000 1.050 1132 I CA -1.928 59.300 61.300 -0.121 0.000 1.245 1132 I CB 1.123 39.087 38.000 -0.060 0.000 1.405 1132 I HN 0.282 nan 8.210 nan 0.000 0.478 1133 P HA -0.160 nan 4.420 nan 0.000 0.223 1133 P C 0.699 177.977 177.300 -0.037 0.000 1.144 1133 P CA 1.309 64.372 63.100 -0.061 0.000 0.783 1133 P CB 0.225 31.893 31.700 -0.053 0.000 0.771 1134 E N -1.444 118.736 120.200 -0.033 0.000 2.190 1134 E HA -0.005 4.344 4.350 -0.001 0.000 0.191 1134 E C 0.981 177.577 176.600 -0.006 0.000 0.978 1134 E CA 1.375 57.765 56.400 -0.018 0.000 0.839 1134 E CB -0.296 29.394 29.700 -0.017 0.000 0.787 1134 E HN 0.287 nan 8.360 nan 0.000 0.473 1135 T N -3.053 111.499 114.554 -0.004 0.000 3.231 1135 T HA 0.390 4.739 4.350 -0.001 0.000 0.292 1135 T C 1.344 176.062 174.700 0.030 0.000 1.001 1135 T CA -0.033 62.075 62.100 0.014 0.000 0.920 1135 T CB 0.841 69.720 68.868 0.019 0.000 1.140 1135 T HN 0.244 nan 8.240 nan 0.000 0.525 1136 G N 1.692 110.505 108.800 0.022 0.000 2.200 1136 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.268 1136 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.268 1136 G C 0.275 175.255 174.900 0.134 0.000 0.986 1136 G CA 0.476 45.613 45.100 0.062 0.000 0.677 1136 G HN 0.596 nan 8.290 nan 0.000 0.532 1137 Q N -1.256 118.601 119.800 0.095 0.000 2.397 1137 Q HA 0.694 5.034 4.340 -0.001 0.000 0.193 1137 Q C 0.016 176.123 176.000 0.179 0.000 1.083 1137 Q CA -0.034 55.869 55.803 0.166 0.000 1.108 1137 Q CB 0.548 29.345 28.738 0.098 0.000 1.172 1137 Q HN 0.481 nan 8.270 nan 0.000 0.617 1138 Y N -1.380 118.930 120.300 0.017 0.000 2.705 1138 Y HA 0.392 4.942 4.550 -0.001 0.000 0.332 1138 Y C -0.272 175.606 175.900 -0.037 0.000 1.157 1138 Y CA -0.726 57.374 58.100 0.001 0.000 1.091 1138 Y CB 2.357 40.811 38.460 -0.011 0.000 1.301 1138 Y HN 0.566 nan 8.280 nan 0.000 0.488 1139 T N -0.791 113.817 114.554 0.091 0.000 2.921 1139 T HA 0.704 5.053 4.350 -0.001 0.000 0.297 1139 T C -1.734 172.842 174.700 -0.206 0.000 1.013 1139 T CA -0.730 61.333 62.100 -0.063 0.000 0.990 1139 T CB 0.869 69.740 68.868 0.006 0.000 1.023 1139 T HN 0.343 nan 8.240 nan 0.000 0.447 1140 V N 3.613 123.185 119.914 -0.570 0.000 2.409 1140 V HA 0.654 4.774 4.120 -0.001 0.000 0.291 1140 V C 0.154 175.834 176.094 -0.689 0.000 1.020 1140 V CA -0.922 60.913 62.300 -0.776 0.000 0.848 1140 V CB 1.337 32.344 31.823 -1.361 0.000 0.990 1140 V HN 1.016 nan 8.190 nan 0.000 0.430 1141 R N 4.437 124.727 120.500 -0.351 0.000 2.409 1141 R HA 0.635 4.974 4.340 -0.001 0.000 0.313 1141 R C -1.560 174.637 176.300 -0.172 0.000 0.953 1141 R CA -0.766 55.217 56.100 -0.195 0.000 0.849 1141 R CB 1.244 31.499 30.300 -0.074 0.000 1.171 1141 R HN 0.601 nan 8.270 nan 0.000 0.458 1142 L N 4.181 125.315 121.223 -0.148 0.000 2.371 1142 L HA 0.411 4.751 4.340 -0.001 0.000 0.272 1142 L C 0.917 177.734 176.870 -0.088 0.000 1.124 1142 L CA 0.127 54.871 54.840 -0.160 0.000 0.816 1142 L CB 0.692 42.638 42.059 -0.188 0.000 1.129 1142 L HN 0.492 nan 8.230 nan 0.000 0.448 1143 R N 1.269 121.726 120.500 -0.072 0.000 2.608 1143 R HA 0.361 4.700 4.340 -0.001 0.000 0.255 1143 R C -0.186 176.102 176.300 -0.020 0.000 1.086 1143 R CA -1.190 54.891 56.100 -0.031 0.000 1.125 1143 R CB 0.843 31.135 30.300 -0.013 0.000 1.193 1143 R HN 0.476 nan 8.270 nan 0.000 0.553 1144 K N 0.219 120.616 120.400 -0.006 0.000 2.484 1144 K HA -0.017 4.302 4.320 -0.001 0.000 0.280 1144 K C 0.568 177.175 176.600 0.010 0.000 1.013 1144 K CA 1.343 57.631 56.287 0.002 0.000 1.029 1144 K CB 0.129 32.632 32.500 0.005 0.000 0.902 1144 K HN 0.775 nan 8.250 nan 0.000 0.481 1145 G N 1.973 110.783 108.800 0.016 0.000 2.259 1145 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.217 1145 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.217 1145 G C 0.191 175.118 174.900 0.045 0.000 1.001 1145 G CA -0.045 45.072 45.100 0.029 0.000 0.627 1145 G HN 0.971 nan 8.290 nan 0.000 0.501 1146 A N 0.286 123.126 122.820 0.034 0.000 2.492 1146 A HA 0.570 4.890 4.320 -0.001 0.000 0.236 1146 A C 0.641 178.273 177.584 0.079 0.000 1.078 1146 A CA 1.639 53.706 52.037 0.051 0.000 0.773 1146 A CB 0.177 19.136 19.000 -0.069 0.000 1.023 1146 A HN 0.956 nan 8.150 nan 0.000 0.504 1147 T N 2.140 116.793 114.554 0.165 0.000 2.779 1147 T HA 0.583 4.932 4.350 -0.001 0.000 0.280 1147 T C -0.288 174.505 174.700 0.156 0.000 0.987 1147 T CA -0.206 61.979 62.100 0.142 0.000 0.966 1147 T CB 0.673 69.620 68.868 0.131 0.000 0.933 1147 T HN 0.468 nan 8.240 nan 0.000 0.442 1148 L N 2.696 123.972 121.223 0.087 0.000 2.301 1148 L HA 0.661 5.000 4.340 -0.001 0.000 0.264 1148 L C -0.979 175.923 176.870 0.053 0.000 1.016 1148 L CA -1.287 53.593 54.840 0.067 0.000 0.821 1148 L CB 1.939 44.015 42.059 0.028 0.000 1.346 1148 L HN 0.417 nan 8.230 nan 0.000 0.429 1149 L N 2.883 124.129 121.223 0.039 0.000 2.343 1149 L HA 0.520 4.859 4.340 -0.001 0.000 0.278 1149 L C -0.837 176.038 176.870 0.008 0.000 0.996 1149 L CA -0.312 54.544 54.840 0.027 0.000 0.831 1149 L CB 1.804 43.880 42.059 0.028 0.000 1.232 1149 L HN 0.398 nan 8.230 nan 0.000 0.413 1150 I N 4.600 125.174 120.570 0.006 0.000 2.339 1150 I HA 0.369 4.538 4.170 -0.001 0.000 0.290 1150 I C -2.165 173.950 176.117 -0.004 0.000 0.994 1150 I CA -2.194 59.105 61.300 -0.003 0.000 1.191 1150 I CB 1.690 39.688 38.000 -0.003 0.000 1.343 1150 I HN 0.257 nan 8.210 nan 0.000 0.458 1151 P HA 0.070 nan 4.420 nan 0.000 0.266 1151 P C -1.073 176.222 177.300 -0.008 0.000 1.195 1151 P CA 0.021 63.115 63.100 -0.009 0.000 0.768 1151 P CB 0.436 32.129 31.700 -0.011 0.000 0.838 1152 K N 0.846 121.240 120.400 -0.010 0.000 2.469 1152 K HA 0.920 5.239 4.320 -0.001 0.000 0.268 1152 K C -1.602 174.993 176.600 -0.008 0.000 1.027 1152 K CA -1.281 55.002 56.287 -0.007 0.000 0.893 1152 K CB 1.888 34.385 32.500 -0.004 0.000 1.460 1152 K HN 0.298 nan 8.250 nan 0.000 0.449 1153 A N 1.010 123.829 122.820 -0.001 0.000 2.469 1153 A HA 0.767 5.087 4.320 -0.001 0.000 0.299 1153 A C -1.376 176.218 177.584 0.017 0.000 1.098 1153 A CA -0.947 51.092 52.037 0.004 0.000 0.737 1153 A CB 1.376 20.379 19.000 0.005 0.000 1.312 1153 A HN 0.577 nan 8.150 nan 0.000 0.414 1154 L N 0.264 121.507 121.223 0.033 0.000 2.333 1154 L HA 0.479 4.818 4.340 -0.001 0.000 0.263 1154 L C -0.381 176.546 176.870 0.095 0.000 1.014 1154 L CA -0.592 54.288 54.840 0.066 0.000 0.820 1154 L CB 2.384 44.495 42.059 0.086 0.000 1.352 1154 L HN 0.839 nan 8.230 nan 0.000 0.421 1155 Q N 1.736 121.601 119.800 0.107 0.000 2.465 1155 Q HA 0.300 4.639 4.340 -0.001 0.000 0.237 1155 Q C -1.029 175.099 176.000 0.213 0.000 1.051 1155 Q CA -0.443 55.431 55.803 0.118 0.000 0.874 1155 Q CB 1.139 29.912 28.738 0.058 0.000 1.207 1155 Q HN 0.246 nan 8.270 nan 0.000 0.508 1156 F N 2.232 122.216 119.950 0.056 0.000 2.382 1156 F HA 0.135 4.661 4.527 -0.001 0.000 0.331 1156 F C 0.795 176.621 175.800 0.043 0.000 1.121 1156 F CA -0.689 57.359 58.000 0.080 0.000 1.183 1156 F CB 1.062 40.161 39.000 0.166 0.000 1.207 1156 F HN 0.494 nan 8.300 nan 0.000 0.555 1157 D N 2.216 122.417 120.400 -0.331 0.000 2.327 1157 D HA -0.018 4.621 4.640 -0.001 0.000 0.205 1157 D C 0.472 176.516 176.300 -0.427 0.000 0.989 1157 D CA 0.512 54.331 54.000 -0.301 0.000 0.873 1157 D CB 0.070 40.748 40.800 -0.202 0.000 0.955 1157 D HN 0.274 nan 8.370 nan 0.000 0.515 1158 R N 1.516 121.501 120.500 -0.858 0.000 3.266 1158 R HA 0.222 4.562 4.340 -0.001 0.000 0.224 1158 R C 0.763 176.935 176.300 -0.212 0.000 1.525 1158 R CA -0.127 55.671 56.100 -0.504 0.000 1.364 1158 R CB -0.208 29.769 30.300 -0.538 0.000 1.276 1158 R HN 0.138 nan 8.270 nan 0.000 0.660 1159 L N 0.382 121.548 121.223 -0.095 0.000 2.418 1159 L HA 0.044 4.384 4.340 -0.001 0.000 0.218 1159 L C 0.629 177.509 176.870 0.017 0.000 1.125 1159 L CA 0.691 55.526 54.840 -0.007 0.000 0.835 1159 L CB 0.136 42.225 42.059 0.051 0.000 0.953 1159 L HN 0.041 nan 8.230 nan 0.000 0.454 1160 V N -1.007 118.897 119.914 -0.016 0.000 2.715 1160 V HA 0.906 5.025 4.120 -0.001 0.000 0.310 1160 V C -0.153 175.850 176.094 -0.152 0.000 1.054 1160 V CA -0.763 61.505 62.300 -0.053 0.000 0.928 1160 V CB 1.448 33.239 31.823 -0.054 0.000 1.007 1160 V HN 0.021 nan 8.190 nan 0.000 0.437 1161 A N 1.951 124.640 122.820 -0.219 0.000 2.594 1161 A HA 0.779 5.099 4.320 -0.001 0.000 0.296 1161 A C -0.192 177.237 177.584 -0.259 0.000 1.061 1161 A CA -0.094 51.723 52.037 -0.367 0.000 0.689 1161 A CB 1.454 19.884 19.000 -0.951 0.000 1.280 1161 A HN 1.370 nan 8.150 nan 0.000 0.406 1162 G N 0.799 109.490 108.800 -0.181 0.000 2.365 1162 G HA2 0.513 4.472 3.960 -0.001 0.000 0.293 1162 G HA3 0.513 4.472 3.960 -0.001 0.000 0.293 1162 G C -0.362 174.490 174.900 -0.081 0.000 1.128 1162 G CA -0.076 44.962 45.100 -0.102 0.000 0.971 1162 G HN 0.734 nan 8.290 nan 0.000 0.422 1163 Q N 1.747 121.493 119.800 -0.091 0.000 2.375 1163 Q HA 0.427 4.767 4.340 -0.001 0.000 0.271 1163 Q C -0.498 175.445 176.000 -0.095 0.000 1.074 1163 Q CA -1.088 54.706 55.803 -0.017 0.000 0.808 1163 Q CB 2.514 31.309 28.738 0.094 0.000 1.327 1163 Q HN 0.460 nan 8.270 nan 0.000 0.441 1164 I N 3.235 123.739 120.570 -0.110 0.000 2.919 1164 I HA -0.072 4.097 4.170 -0.001 0.000 0.303 1164 I C -2.077 173.988 176.117 -0.088 0.000 1.221 1164 I CA -0.776 60.413 61.300 -0.185 0.000 1.444 1164 I CB -0.214 37.606 38.000 -0.300 0.000 1.331 1164 I HN 0.410 nan 8.210 nan 0.000 0.572 1165 P HA -0.087 nan 4.420 nan 0.000 0.261 1165 P C -0.531 176.820 177.300 0.085 0.000 1.165 1165 P CA 0.311 63.417 63.100 0.011 0.000 0.759 1165 P CB -0.011 31.724 31.700 0.058 0.000 0.772 1166 T N 3.523 118.130 114.554 0.089 0.000 2.833 1166 T HA 0.300 4.650 4.350 -0.001 0.000 0.254 1166 T C 1.362 176.106 174.700 0.073 0.000 0.972 1166 T CA 1.163 63.309 62.100 0.076 0.000 1.246 1166 T CB -0.927 67.969 68.868 0.047 0.000 0.949 1166 T HN 0.757 nan 8.240 nan 0.000 0.567 1167 G N 2.568 111.405 108.800 0.061 0.000 2.935 1167 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.213 1167 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.213 1167 G C -0.036 174.865 174.900 0.001 0.000 0.984 1167 G CA -0.983 44.111 45.100 -0.009 0.000 0.790 1167 G HN 0.626 nan 8.290 nan 0.000 0.538 1168 W N 2.443 123.699 121.300 -0.073 0.000 2.223 1168 W HA 0.528 5.188 4.660 -0.001 0.000 0.334 1168 W C -0.459 176.036 176.519 -0.040 0.000 1.334 1168 W CA 1.101 58.417 57.345 -0.049 0.000 1.246 1168 W CB 0.853 30.336 29.460 0.038 0.000 1.184 1168 W HN 0.087 nan 8.180 nan 0.000 0.563 1169 D N 3.385 123.323 120.400 -0.771 0.000 2.990 1169 D HA 0.341 4.980 4.640 -0.001 0.000 0.227 1169 D C 0.490 176.151 176.300 -1.064 0.000 1.249 1169 D CA -0.125 53.454 54.000 -0.701 0.000 0.891 1169 D CB 1.934 42.488 40.800 -0.410 0.000 1.647 1169 D HN 0.414 nan 8.370 nan 0.000 0.530 1170 A N 3.507 125.829 122.820 -0.830 0.000 2.225 1170 A HA -0.115 4.204 4.320 -0.001 0.000 0.215 1170 A C 1.872 179.265 177.584 -0.319 0.000 1.164 1170 A CA 1.080 52.814 52.037 -0.506 0.000 0.710 1170 A CB -0.243 18.613 19.000 -0.240 0.000 0.780 1170 A HN 0.589 nan 8.150 nan 0.000 0.473 1171 R N -0.818 119.469 120.500 -0.354 0.000 2.161 1171 R HA 0.045 4.385 4.340 -0.001 0.000 0.213 1171 R C 2.170 178.298 176.300 -0.286 0.000 1.055 1171 R CA 0.599 56.539 56.100 -0.267 0.000 0.996 1171 R CB -0.107 30.050 30.300 -0.238 0.000 0.901 1171 R HN 0.486 nan 8.270 nan 0.000 0.456 1172 R N -0.700 119.513 120.500 -0.479 0.000 2.120 1172 R HA -0.150 4.190 4.340 -0.001 0.000 0.234 1172 R C 1.504 177.565 176.300 -0.399 0.000 1.123 1172 R CA 1.362 57.081 56.100 -0.635 0.000 0.975 1172 R CB -0.186 29.385 30.300 -1.214 0.000 0.866 1172 R HN 0.352 nan 8.270 nan 0.000 0.446 1173 Y N -0.696 119.509 120.300 -0.160 0.000 2.395 1173 Y HA 0.035 4.584 4.550 -0.001 0.000 0.293 1173 Y C 1.793 177.746 175.900 0.089 0.000 1.123 1173 Y CA 0.912 59.057 58.100 0.075 0.000 1.227 1173 Y CB 0.484 38.992 38.460 0.080 0.000 1.012 1173 Y HN 0.329 nan 8.280 nan 0.000 0.552 1174 G N -0.695 108.175 108.800 0.117 0.000 2.198 1174 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.156 1174 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.156 1174 G C -0.300 174.648 174.900 0.081 0.000 1.012 1174 G CA -0.218 44.956 45.100 0.124 0.000 0.692 1174 G HN 0.024 nan 8.290 nan 0.000 0.492 1175 V N 2.500 122.304 119.914 -0.183 0.000 2.617 1175 V HA 0.268 4.388 4.120 -0.001 0.000 0.304 1175 V C -1.201 174.787 176.094 -0.177 0.000 1.040 1175 V CA -0.408 61.639 62.300 -0.422 0.000 1.149 1175 V CB 0.799 32.253 31.823 -0.616 0.000 0.914 1175 V HN 0.199 nan 8.190 nan 0.000 0.487 1176 P HA 0.084 nan 4.420 nan 0.000 0.268 1176 P C 0.647 177.891 177.300 -0.095 0.000 1.205 1176 P CA -0.111 62.961 63.100 -0.047 0.000 0.771 1176 P CB 0.737 32.440 31.700 0.005 0.000 0.858 1177 E N 2.922 123.077 120.200 -0.074 0.000 2.058 1177 E HA -0.258 4.091 4.350 -0.001 0.000 0.194 1177 E C 1.297 177.845 176.600 -0.087 0.000 0.997 1177 E CA 2.054 58.404 56.400 -0.085 0.000 0.801 1177 E CB -0.657 29.006 29.700 -0.062 0.000 0.746 1177 E HN 0.517 nan 8.360 nan 0.000 0.450 1178 D N 0.408 120.770 120.400 -0.064 0.000 2.149 1178 D HA -0.211 4.428 4.640 -0.001 0.000 0.198 1178 D C 1.895 178.130 176.300 -0.108 0.000 0.990 1178 D CA 1.058 55.022 54.000 -0.059 0.000 0.839 1178 D CB -0.361 40.426 40.800 -0.021 0.000 0.948 1178 D HN 0.313 nan 8.370 nan 0.000 0.460 1179 I N 0.671 121.150 120.570 -0.152 0.000 2.617 1179 I HA -0.122 4.047 4.170 -0.001 0.000 0.256 1179 I C 2.527 178.463 176.117 -0.301 0.000 1.167 1179 I CA 0.279 61.408 61.300 -0.285 0.000 1.469 1179 I CB -0.392 37.425 38.000 -0.305 0.000 1.098 1179 I HN 0.021 nan 8.210 nan 0.000 0.436 1180 I N 0.731 121.166 120.570 -0.224 0.000 2.179 1180 I HA -0.266 3.904 4.170 -0.001 0.000 0.242 1180 I C 2.529 178.543 176.117 -0.171 0.000 1.088 1180 I CA 1.404 62.581 61.300 -0.204 0.000 1.357 1180 I CB -0.897 37.004 38.000 -0.165 0.000 1.051 1180 I HN 0.320 nan 8.210 nan 0.000 0.409 1181 Q N 0.057 119.775 119.800 -0.136 0.000 2.224 1181 Q HA -0.231 4.108 4.340 -0.001 0.000 0.203 1181 Q C 2.085 178.027 176.000 -0.096 0.000 0.970 1181 Q CA 1.319 57.063 55.803 -0.098 0.000 0.865 1181 Q CB -0.279 28.418 28.738 -0.068 0.000 0.922 1181 Q HN 0.588 nan 8.270 nan 0.000 0.445 1182 Q N 0.005 119.724 119.800 -0.135 0.000 2.250 1182 Q HA 0.019 4.358 4.340 -0.001 0.000 0.200 1182 Q C 0.200 176.125 176.000 -0.125 0.000 0.941 1182 Q CA 0.435 56.174 55.803 -0.107 0.000 0.872 1182 Q CB 0.626 29.295 28.738 -0.114 0.000 0.965 1182 Q HN 0.059 nan 8.270 nan 0.000 0.480 1183 V N 0.958 120.729 119.914 -0.238 0.000 2.994 1183 V HA 0.252 4.372 4.120 -0.001 0.000 0.318 1183 V C -0.026 175.972 176.094 -0.160 0.000 1.085 1183 V CA -1.123 61.034 62.300 -0.238 0.000 0.998 1183 V CB 1.506 33.022 31.823 -0.512 0.000 1.063 1183 V HN 0.186 nan 8.190 nan 0.000 0.447 1184 D N 2.085 122.423 120.400 -0.102 0.000 2.443 1184 D HA 0.099 4.738 4.640 -0.001 0.000 0.239 1184 D C -1.642 174.544 176.300 -0.190 0.000 1.136 1184 D CA -1.174 52.769 54.000 -0.095 0.000 0.879 1184 D CB 2.022 42.803 40.800 -0.031 0.000 1.195 1184 D HN 0.209 nan 8.370 nan 0.000 0.443 1185 P HA -0.188 nan 4.420 nan 0.000 0.216 1185 P C 1.712 178.581 177.300 -0.719 0.000 1.154 1185 P CA 0.600 63.458 63.100 -0.403 0.000 0.865 1185 P CB 0.229 31.761 31.700 -0.280 0.000 0.789 1186 V N -0.404 119.258 119.914 -0.419 0.000 2.233 1186 V HA -0.344 3.775 4.120 -0.001 0.000 0.252 1186 V C 2.320 178.183 176.094 -0.385 0.000 1.063 1186 V CA 2.850 64.979 62.300 -0.285 0.000 1.032 1186 V CB -1.674 30.123 31.823 -0.044 0.000 0.645 1186 V HN 0.217 nan 8.190 nan 0.000 0.446 1187 T N 0.034 114.392 114.554 -0.326 0.000 2.737 1187 T HA -0.185 4.164 4.350 -0.001 0.000 0.269 1187 T C 1.795 176.361 174.700 -0.224 0.000 1.040 1187 T CA 1.599 63.539 62.100 -0.266 0.000 1.142 1187 T CB -0.284 68.471 68.868 -0.188 0.000 0.861 1187 T HN 0.312 nan 8.240 nan 0.000 0.456 1188 L N -0.493 120.561 121.223 -0.281 0.000 2.046 1188 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 1188 L C 2.334 179.236 176.870 0.052 0.000 1.077 1188 L CA 1.662 56.398 54.840 -0.174 0.000 0.747 1188 L CB -0.666 41.279 42.059 -0.189 0.000 0.896 1188 L HN 0.442 nan 8.230 nan 0.000 0.432 1189 Y N -0.825 119.515 120.300 0.067 0.000 2.114 1189 Y HA -0.248 4.302 4.550 -0.001 0.000 0.284 1189 Y C 2.664 178.585 175.900 0.035 0.000 1.143 1189 Y CA 0.688 58.805 58.100 0.029 0.000 1.135 1189 Y CB -0.600 37.836 38.460 -0.040 0.000 0.980 1189 Y HN -0.118 nan 8.280 nan 0.000 0.499 1190 V N 0.631 120.609 119.914 0.106 0.000 2.332 1190 V HA -0.322 3.798 4.120 -0.001 0.000 0.248 1190 V C 2.299 178.472 176.094 0.131 0.000 1.055 1190 V CA 1.637 63.976 62.300 0.066 0.000 1.038 1190 V CB -0.751 30.987 31.823 -0.141 0.000 0.651 1190 V HN 0.419 nan 8.190 nan 0.000 0.450 1191 L N -0.594 120.691 121.223 0.105 0.000 1.994 1191 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 1191 L C 2.522 179.560 176.870 0.280 0.000 1.071 1191 L CA 1.516 56.472 54.840 0.193 0.000 0.745 1191 L CB -0.531 41.524 42.059 -0.007 0.000 0.892 1191 L HN 0.201 nan 8.230 nan 0.000 0.431 1192 V N -0.875 119.136 119.914 0.163 0.000 2.343 1192 V HA -0.309 3.810 4.120 -0.001 0.000 0.247 1192 V C 2.708 178.888 176.094 0.144 0.000 1.051 1192 V CA 1.905 64.286 62.300 0.135 0.000 1.036 1192 V CB -0.275 31.592 31.823 0.073 0.000 0.654 1192 V HN 0.521 nan 8.190 nan 0.000 0.451 1193 S N -0.081 115.718 115.700 0.166 0.000 2.365 1193 S HA -0.230 4.240 4.470 -0.001 0.000 0.221 1193 S C 2.025 176.732 174.600 0.178 0.000 1.037 1193 S CA 2.319 60.615 58.200 0.160 0.000 1.060 1193 S CB -0.475 62.833 63.200 0.180 0.000 0.974 1193 S HN 0.287 nan 8.310 nan 0.000 0.427 1194 V N 2.312 122.345 119.914 0.198 0.000 2.439 1194 V HA -0.227 3.892 4.120 -0.001 0.000 0.253 1194 V C 2.806 179.017 176.094 0.196 0.000 1.074 1194 V CA 1.950 64.366 62.300 0.194 0.000 1.076 1194 V CB -1.444 30.499 31.823 0.199 0.000 0.664 1194 V HN 0.674 nan 8.190 nan 0.000 0.461 1195 A N -0.983 121.979 122.820 0.235 0.000 1.897 1195 A HA -0.186 4.133 4.320 -0.001 0.000 0.215 1195 A C 2.228 179.946 177.584 0.224 0.000 1.181 1195 A CA 1.560 53.727 52.037 0.216 0.000 0.620 1195 A CB -0.379 18.825 19.000 0.340 0.000 0.821 1195 A HN 0.572 nan 8.150 nan 0.000 0.443 1196 E N -0.467 119.867 120.200 0.223 0.000 2.152 1196 E HA -0.022 4.328 4.350 -0.001 0.000 0.192 1196 E C 2.194 178.937 176.600 0.239 0.000 0.983 1196 E CA 0.674 57.227 56.400 0.254 0.000 0.818 1196 E CB -0.151 29.684 29.700 0.225 0.000 0.758 1196 E HN 0.600 nan 8.360 nan 0.000 0.467 1197 A N 0.821 123.754 122.820 0.189 0.000 1.969 1197 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 1197 A C 2.075 179.761 177.584 0.170 0.000 1.169 1197 A CA 0.722 52.852 52.037 0.156 0.000 0.635 1197 A CB -0.387 18.693 19.000 0.133 0.000 0.810 1197 A HN 0.158 nan 8.150 nan 0.000 0.445 1198 L N -0.916 120.414 121.223 0.180 0.000 2.141 1198 L HA -0.099 4.241 4.340 -0.001 0.000 0.209 1198 L C 2.542 179.505 176.870 0.155 0.000 1.094 1198 L CA 0.920 55.861 54.840 0.169 0.000 0.763 1198 L CB -0.352 41.799 42.059 0.154 0.000 0.908 1198 L HN 0.473 nan 8.230 nan 0.000 0.437 1199 L N -0.332 121.017 121.223 0.211 0.000 2.072 1199 L HA -0.180 4.160 4.340 -0.001 0.000 0.205 1199 L C 2.797 179.855 176.870 0.313 0.000 1.079 1199 L CA 1.463 56.446 54.840 0.239 0.000 0.752 1199 L CB -0.114 42.134 42.059 0.316 0.000 0.906 1199 L HN 0.351 nan 8.230 nan 0.000 0.436 1200 S N -2.328 113.605 115.700 0.389 0.000 2.500 1200 S HA -0.164 4.305 4.470 -0.001 0.000 0.239 1200 S C 1.774 176.556 174.600 0.303 0.000 0.989 1200 S CA 1.268 59.755 58.200 0.478 0.000 0.951 1200 S CB -0.254 63.118 63.200 0.287 0.000 0.759 1200 S HN 0.424 nan 8.310 nan 0.000 0.523 1201 S N -0.514 115.290 115.700 0.174 0.000 2.539 1201 S HA 0.473 4.943 4.470 -0.001 0.000 0.221 1201 S C 1.267 175.837 174.600 -0.049 0.000 0.987 1201 S CA 0.504 58.732 58.200 0.047 0.000 0.929 1201 S CB -0.522 62.742 63.200 0.107 0.000 0.832 1201 S HN 1.315 nan 8.310 nan 0.000 0.492 1202 G N 1.445 110.278 108.800 0.055 0.000 2.176 1202 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.253 1202 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.253 1202 G C -0.020 174.870 174.900 -0.017 0.000 0.979 1202 G CA 0.209 45.369 45.100 0.101 0.000 0.641 1202 G HN 0.497 nan 8.290 nan 0.000 0.530 1203 I N 1.858 122.387 120.570 -0.069 0.000 2.325 1203 I HA 0.322 4.491 4.170 -0.001 0.000 0.291 1203 I C 1.385 177.408 176.117 -0.156 0.000 1.019 1203 I CA 0.238 61.426 61.300 -0.186 0.000 1.302 1203 I CB 0.626 38.459 38.000 -0.278 0.000 1.401 1203 I HN 0.004 nan 8.210 nan 0.000 0.485 1204 T N 3.177 117.579 114.554 -0.254 0.000 2.904 1204 T HA -0.030 4.319 4.350 -0.001 0.000 0.243 1204 T C 0.530 175.003 174.700 -0.378 0.000 1.024 1204 T CA 0.808 62.643 62.100 -0.442 0.000 1.158 1204 T CB 0.090 68.573 68.868 -0.642 0.000 0.867 1204 T HN 0.577 nan 8.240 nan 0.000 0.429 1205 D N 1.447 121.660 120.400 -0.311 0.000 2.274 1205 D HA 0.234 4.874 4.640 -0.001 0.000 0.239 1205 D C -2.044 174.133 176.300 -0.206 0.000 1.104 1205 D CA -2.509 51.336 54.000 -0.258 0.000 0.840 1205 D CB 1.905 42.581 40.800 -0.206 0.000 1.100 1205 D HN -0.002 nan 8.370 nan 0.000 0.477 1206 P HA -0.081 nan 4.420 nan 0.000 0.230 1206 P C 0.881 178.218 177.300 0.061 0.000 1.158 1206 P CA 0.532 63.635 63.100 0.005 0.000 0.769 1206 P CB 0.057 31.807 31.700 0.084 0.000 0.807 1207 Y N 0.615 120.859 120.300 -0.094 0.000 2.403 1207 Y HA -0.138 4.412 4.550 -0.001 0.000 0.291 1207 Y C 2.370 178.161 175.900 -0.182 0.000 1.143 1207 Y CA 0.155 58.202 58.100 -0.089 0.000 1.257 1207 Y CB -1.224 37.251 38.460 0.025 0.000 0.984 1207 Y HN 0.172 nan 8.280 nan 0.000 0.550 1208 E N -0.131 120.036 120.200 -0.054 0.000 2.171 1208 E HA -0.243 4.106 4.350 -0.001 0.000 0.197 1208 E C 1.788 178.338 176.600 -0.084 0.000 0.997 1208 E CA 1.171 57.505 56.400 -0.111 0.000 0.810 1208 E CB -0.453 29.140 29.700 -0.180 0.000 0.738 1208 E HN 0.452 nan 8.360 nan 0.000 0.467 1209 F N -0.461 119.404 119.950 -0.142 0.000 2.192 1209 F HA -0.225 4.302 4.527 -0.001 0.000 0.301 1209 F C 1.074 176.820 175.800 -0.089 0.000 1.079 1209 F CA 0.730 58.637 58.000 -0.156 0.000 1.303 1209 F CB -0.077 38.683 39.000 -0.401 0.000 1.024 1209 F HN 0.146 nan 8.300 nan 0.000 0.494 1210 Y N -0.058 120.375 120.300 0.222 0.000 2.676 1210 Y HA 0.153 4.702 4.550 -0.001 0.000 0.331 1210 Y C 1.347 177.196 175.900 -0.085 0.000 1.128 1210 Y CA -0.675 57.458 58.100 0.055 0.000 1.360 1210 Y CB -1.002 37.406 38.460 -0.086 0.000 1.176 1210 Y HN 0.023 nan 8.280 nan 0.000 0.518 1211 K N -1.312 119.081 120.400 -0.013 0.000 2.287 1211 K HA 0.078 4.397 4.320 -0.001 0.000 0.199 1211 K C 0.463 176.883 176.600 -0.301 0.000 1.061 1211 K CA 0.673 56.797 56.287 -0.271 0.000 0.976 1211 K CB 0.205 32.364 32.500 -0.569 0.000 0.898 1211 K HN 0.313 nan 8.250 nan 0.000 0.492 1212 Y N -0.395 119.969 120.300 0.106 0.000 2.481 1212 Y HA 0.211 4.760 4.550 -0.001 0.000 0.258 1212 Y C 0.418 176.411 175.900 0.154 0.000 1.103 1212 Y CA -0.336 57.832 58.100 0.114 0.000 1.287 1212 Y CB 1.079 39.602 38.460 0.104 0.000 1.108 1212 Y HN -0.298 nan 8.280 nan 0.000 0.529 1213 V N -0.960 119.157 119.914 0.339 0.000 3.087 1213 V HA 0.197 4.316 4.120 -0.001 0.000 0.306 1213 V C -1.263 175.069 176.094 0.396 0.000 1.187 1213 V CA -1.380 61.120 62.300 0.333 0.000 0.999 1213 V CB 2.268 34.283 31.823 0.319 0.000 1.049 1213 V HN 0.076 nan 8.190 nan 0.000 0.431 1214 H N 1.933 121.128 119.070 0.207 0.000 2.629 1214 H HA 0.406 4.962 4.556 -0.001 0.000 0.357 1214 H C 1.024 176.420 175.328 0.112 0.000 1.121 1214 H CA 0.141 56.271 56.048 0.137 0.000 1.406 1214 H CB 0.928 30.714 29.762 0.041 0.000 1.456 1214 H HN 0.550 nan 8.280 nan 0.000 0.579 1215 L N 2.015 122.799 121.223 -0.732 0.000 2.123 1215 L HA -0.280 4.060 4.340 -0.001 0.000 0.217 1215 L C 1.836 178.477 176.870 -0.382 0.000 1.081 1215 L CA 1.995 56.395 54.840 -0.735 0.000 0.772 1215 L CB -0.727 40.708 42.059 -1.039 0.000 0.890 1215 L HN 0.654 nan 8.230 nan 0.000 0.437 1216 S N -2.066 113.418 115.700 -0.360 0.000 2.710 1216 S HA 0.058 4.527 4.470 -0.001 0.000 0.224 1216 S C 1.021 175.635 174.600 0.023 0.000 0.948 1216 S CA -0.065 58.080 58.200 -0.091 0.000 0.949 1216 S CB 0.155 63.374 63.200 0.033 0.000 0.778 1216 S HN 0.472 nan 8.310 nan 0.000 0.498 1217 E N 0.217 120.451 120.200 0.056 0.000 2.641 1217 E HA 0.198 4.547 4.350 -0.001 0.000 0.224 1217 E C -0.905 175.708 176.600 0.021 0.000 0.951 1217 E CA -0.058 56.379 56.400 0.062 0.000 1.102 1217 E CB 1.319 31.082 29.700 0.104 0.000 1.091 1217 E HN 0.336 nan 8.360 nan 0.000 0.507 1218 V N 1.638 121.566 119.914 0.024 0.000 2.389 1218 V HA 0.420 4.539 4.120 -0.001 0.000 0.264 1218 V C 0.613 176.683 176.094 -0.041 0.000 1.049 1218 V CA -0.470 61.780 62.300 -0.083 0.000 0.932 1218 V CB 0.879 32.644 31.823 -0.097 0.000 1.011 1218 V HN 0.121 nan 8.190 nan 0.000 0.475 1219 G N 2.982 111.749 108.800 -0.055 0.000 2.434 1219 G HA2 0.482 4.441 3.960 -0.001 0.000 0.330 1219 G HA3 0.482 4.441 3.960 -0.001 0.000 0.330 1219 G C -0.647 174.254 174.900 0.001 0.000 1.155 1219 G CA -0.556 44.535 45.100 -0.014 0.000 0.917 1219 G HN 0.542 nan 8.290 nan 0.000 0.493 1220 N N -0.048 118.669 118.700 0.029 0.000 2.576 1220 N HA 0.228 4.968 4.740 -0.001 0.000 0.269 1220 N C -0.753 174.797 175.510 0.067 0.000 1.058 1220 N CA -0.475 52.608 53.050 0.055 0.000 0.860 1220 N CB 1.290 39.819 38.487 0.070 0.000 1.249 1220 N HN 0.268 nan 8.380 nan 0.000 0.525 1221 C N 4.310 123.653 119.300 0.073 0.000 2.660 1221 C HA 0.477 4.936 4.460 -0.001 0.000 0.265 1221 C C 0.665 175.710 174.990 0.091 0.000 1.573 1221 C CA -0.707 58.355 59.018 0.073 0.000 1.751 1221 C CB -1.720 26.055 27.740 0.058 0.000 3.033 1221 C HN 0.564 nan 8.230 nan 0.000 0.511 1222 I N 1.479 122.129 120.570 0.134 0.000 2.395 1222 I HA 0.540 4.709 4.170 -0.001 0.000 0.289 1222 I C 0.964 177.177 176.117 0.160 0.000 1.023 1222 I CA 0.545 61.952 61.300 0.177 0.000 1.350 1222 I CB 0.924 39.092 38.000 0.279 0.000 1.409 1222 I HN 0.448 nan 8.210 nan 0.000 0.507 1223 G N 3.454 112.265 108.800 0.019 0.000 3.211 1223 G HA2 0.811 4.770 3.960 -0.001 0.000 0.262 1223 G HA3 0.811 4.770 3.960 -0.001 0.000 0.262 1223 G C -1.008 173.539 174.900 -0.587 0.000 1.352 1223 G CA -0.292 44.722 45.100 -0.144 0.000 1.004 1223 G HN 0.727 nan 8.290 nan 0.000 0.559 1224 S N -3.267 112.139 115.700 -0.490 0.000 2.645 1224 S HA 0.512 4.981 4.470 -0.001 0.000 0.268 1224 S C 0.820 175.269 174.600 -0.251 0.000 1.110 1224 S CA 0.629 58.469 58.200 -0.600 0.000 0.823 1224 S CB 0.811 63.271 63.200 -1.234 0.000 1.091 1224 S HN 1.648 nan 8.310 nan 0.000 0.466 1225 G N 0.064 108.768 108.800 -0.160 0.000 2.395 1225 G HA2 0.376 4.335 3.960 -0.001 0.000 0.214 1225 G HA3 0.376 4.335 3.960 -0.001 0.000 0.214 1225 G C 0.434 175.303 174.900 -0.051 0.000 1.177 1225 G CA 0.944 46.004 45.100 -0.067 0.000 0.794 1225 G HN 1.847 nan 8.290 nan 0.000 0.532 1226 V N -1.785 118.109 119.914 -0.033 0.000 2.925 1226 V HA 0.659 4.779 4.120 -0.001 0.000 0.252 1226 V C -0.022 176.111 176.094 0.064 0.000 0.913 1226 V CA -0.717 61.581 62.300 -0.005 0.000 0.933 1226 V CB 0.485 32.280 31.823 -0.047 0.000 1.039 1226 V HN 0.389 nan 8.190 nan 0.000 0.507 1227 G N 1.150 110.036 108.800 0.142 0.000 2.412 1227 G HA2 0.675 4.635 3.960 -0.001 0.000 0.318 1227 G HA3 0.675 4.635 3.960 -0.001 0.000 0.318 1227 G C 0.875 175.915 174.900 0.234 0.000 1.146 1227 G CA -0.179 45.119 45.100 0.330 0.000 0.882 1227 G HN 2.270 nan 8.290 nan 0.000 0.501 1228 G N 0.242 109.160 108.800 0.197 0.000 2.164 1228 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.212 1228 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.212 1228 G C 0.952 175.892 174.900 0.066 0.000 1.031 1228 G CA 0.664 45.831 45.100 0.111 0.000 0.730 1228 G HN 1.013 nan 8.290 nan 0.000 0.501 1229 T N 0.275 114.871 114.554 0.070 0.000 2.881 1229 T HA -0.067 4.282 4.350 -0.001 0.000 0.270 1229 T C 2.591 177.301 174.700 0.016 0.000 1.068 1229 T CA 1.905 64.022 62.100 0.028 0.000 1.131 1229 T CB -0.120 68.766 68.868 0.031 0.000 0.871 1229 T HN 0.481 nan 8.240 nan 0.000 0.479 1230 S N 1.768 117.487 115.700 0.031 0.000 2.357 1230 S HA 0.067 4.537 4.470 -0.001 0.000 0.221 1230 S C 2.679 177.292 174.600 0.022 0.000 1.031 1230 S CA 0.807 59.020 58.200 0.023 0.000 0.982 1230 S CB -0.632 62.581 63.200 0.022 0.000 0.853 1230 S HN 0.608 nan 8.310 nan 0.000 0.458 1231 A N 1.813 124.648 122.820 0.025 0.000 1.933 1231 A HA -0.003 4.316 4.320 -0.001 0.000 0.218 1231 A C 2.107 179.712 177.584 0.036 0.000 1.175 1231 A CA 1.001 53.053 52.037 0.025 0.000 0.628 1231 A CB -0.791 18.226 19.000 0.029 0.000 0.814 1231 A HN 0.407 nan 8.150 nan 0.000 0.444 1232 L N -0.632 120.618 121.223 0.046 0.000 1.971 1232 L HA -0.248 4.091 4.340 -0.001 0.000 0.215 1232 L C 2.909 179.871 176.870 0.154 0.000 1.072 1232 L CA 2.319 57.221 54.840 0.103 0.000 0.758 1232 L CB -0.614 41.457 42.059 0.019 0.000 0.889 1232 L HN 0.594 nan 8.230 nan 0.000 0.433 1233 R N 0.283 120.819 120.500 0.060 0.000 2.091 1233 R HA -0.168 4.172 4.340 -0.001 0.000 0.238 1233 R C 2.058 178.396 176.300 0.062 0.000 1.136 1233 R CA 1.738 57.866 56.100 0.048 0.000 0.959 1233 R CB -0.631 29.667 30.300 -0.003 0.000 0.856 1233 R HN 0.411 nan 8.270 nan 0.000 0.437 1234 G N 1.408 110.233 108.800 0.042 0.000 2.462 1234 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.220 1234 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.220 1234 G C 1.515 176.419 174.900 0.008 0.000 1.121 1234 G CA 1.038 46.151 45.100 0.023 0.000 0.758 1234 G HN 0.584 nan 8.290 nan 0.000 0.559 1235 M N -2.827 116.771 119.600 -0.003 0.000 2.571 1235 M HA 0.395 4.874 4.480 -0.001 0.000 0.259 1235 M C 1.825 178.003 176.300 -0.203 0.000 1.205 1235 M CA 0.414 55.645 55.300 -0.116 0.000 1.138 1235 M CB 0.295 32.780 32.600 -0.192 0.000 1.329 1235 M HN 0.031 nan 8.290 nan 0.000 0.503 1236 Y N 1.151 121.424 120.300 -0.045 0.000 2.510 1236 Y HA 0.259 4.808 4.550 -0.001 0.000 0.273 1236 Y C 2.401 178.273 175.900 -0.047 0.000 1.119 1236 Y CA 0.842 58.904 58.100 -0.064 0.000 1.286 1236 Y CB 0.400 38.808 38.460 -0.086 0.000 1.061 1236 Y HN 0.329 nan 8.280 nan 0.000 0.542 1237 K N -0.717 119.752 120.400 0.115 0.000 2.638 1237 K HA 0.030 4.349 4.320 -0.001 0.000 0.207 1237 K C 0.925 177.591 176.600 0.110 0.000 1.429 1237 K CA 0.553 56.907 56.287 0.112 0.000 0.957 1237 K CB -0.072 32.468 32.500 0.065 0.000 1.733 1237 K HN -0.183 nan 8.250 nan 0.000 0.474 1238 D N 1.251 121.688 120.400 0.061 0.000 2.265 1238 D HA -0.153 4.487 4.640 -0.001 0.000 0.208 1238 D C 1.832 178.149 176.300 0.029 0.000 0.977 1238 D CA 1.026 55.048 54.000 0.037 0.000 0.871 1238 D CB 0.103 40.915 40.800 0.021 0.000 0.925 1238 D HN 0.250 nan 8.370 nan 0.000 0.485 1239 R N -1.024 119.499 120.500 0.038 0.000 2.090 1239 R HA -0.101 4.239 4.340 -0.001 0.000 0.219 1239 R C 2.151 178.484 176.300 0.056 0.000 1.100 1239 R CA 0.463 56.577 56.100 0.022 0.000 0.991 1239 R CB -0.494 29.801 30.300 -0.009 0.000 0.893 1239 R HN 0.080 nan 8.270 nan 0.000 0.443 1240 Y N 1.054 121.326 120.300 -0.048 0.000 2.256 1240 Y HA -0.120 4.430 4.550 -0.001 0.000 0.288 1240 Y C 1.301 177.180 175.900 -0.035 0.000 1.155 1240 Y CA 1.526 59.601 58.100 -0.043 0.000 1.203 1240 Y CB 0.016 38.457 38.460 -0.031 0.000 0.980 1240 Y HN 0.090 nan 8.280 nan 0.000 0.530 1241 L N -0.251 120.937 121.223 -0.059 0.000 2.591 1241 L HA 0.026 4.366 4.340 -0.001 0.000 0.228 1241 L C 0.618 177.425 176.870 -0.105 0.000 1.133 1241 L CA 0.902 55.663 54.840 -0.133 0.000 0.880 1241 L CB -0.274 41.758 42.059 -0.044 0.000 1.033 1241 L HN 0.074 nan 8.230 nan 0.000 0.450 1242 D N 0.760 121.112 120.400 -0.081 0.000 3.012 1242 D HA -0.180 4.459 4.640 -0.001 0.000 0.222 1242 D C 0.277 176.552 176.300 -0.043 0.000 1.167 1242 D CA 0.879 54.839 54.000 -0.067 0.000 0.854 1242 D CB -0.511 40.233 40.800 -0.092 0.000 1.107 1242 D HN 0.276 nan 8.370 nan 0.000 0.421 1243 K N 0.401 120.783 120.400 -0.029 0.000 2.295 1243 K HA 0.372 4.692 4.320 -0.001 0.000 0.270 1243 K C -2.319 174.273 176.600 -0.014 0.000 1.011 1243 K CA -1.393 54.883 56.287 -0.018 0.000 0.953 1243 K CB 0.340 32.835 32.500 -0.009 0.000 0.956 1243 K HN 0.036 nan 8.250 nan 0.000 0.477 1244 P HA 0.027 nan 4.420 nan 0.000 0.265 1244 P C -1.072 176.225 177.300 -0.006 0.000 1.222 1244 P CA 0.007 63.102 63.100 -0.009 0.000 0.767 1244 P CB 0.489 32.185 31.700 -0.007 0.000 0.801 1245 V N 3.963 123.873 119.914 -0.006 0.000 2.971 1245 V HA 0.202 4.321 4.120 -0.001 0.000 0.309 1245 V C 0.265 176.358 176.094 -0.001 0.000 1.130 1245 V CA -0.942 61.356 62.300 -0.003 0.000 0.964 1245 V CB 2.088 33.908 31.823 -0.004 0.000 1.029 1245 V HN 0.448 nan 8.190 nan 0.000 0.427 1246 Q N 1.913 121.716 119.800 0.004 0.000 2.523 1246 Q HA 0.054 4.393 4.340 -0.001 0.000 0.283 1246 Q C 0.537 176.544 176.000 0.012 0.000 1.140 1246 Q CA 0.263 56.073 55.803 0.012 0.000 0.981 1246 Q CB 0.988 29.739 28.738 0.022 0.000 1.310 1246 Q HN 0.539 nan 8.270 nan 0.000 0.483 1247 K N 0.567 120.978 120.400 0.019 0.000 2.243 1247 K HA -0.093 4.227 4.320 -0.001 0.000 0.201 1247 K C 0.429 177.046 176.600 0.028 0.000 1.051 1247 K CA 1.188 57.485 56.287 0.017 0.000 0.970 1247 K CB 0.301 32.812 32.500 0.018 0.000 0.755 1247 K HN 0.607 nan 8.250 nan 0.000 0.465 1248 D N -0.085 120.343 120.400 0.046 0.000 2.388 1248 D HA 0.009 4.649 4.640 -0.001 0.000 0.221 1248 D C 1.103 177.450 176.300 0.078 0.000 1.133 1248 D CA -0.107 53.935 54.000 0.070 0.000 0.831 1248 D CB -0.381 40.476 40.800 0.094 0.000 0.962 1248 D HN 0.148 nan 8.370 nan 0.000 0.502 1249 I N -0.690 119.908 120.570 0.046 0.000 2.399 1249 I HA -0.238 3.931 4.170 -0.001 0.000 0.254 1249 I C 2.106 178.242 176.117 0.033 0.000 1.146 1249 I CA 0.572 61.895 61.300 0.038 0.000 1.412 1249 I CB -0.442 37.563 38.000 0.009 0.000 1.076 1249 I HN 0.052 nan 8.210 nan 0.000 0.432 1250 L N 0.809 122.046 121.223 0.023 0.000 2.043 1250 L HA -0.262 4.077 4.340 -0.001 0.000 0.212 1250 L C 2.595 179.519 176.870 0.090 0.000 1.075 1250 L CA 1.891 56.727 54.840 -0.006 0.000 0.752 1250 L CB -0.889 41.192 42.059 0.036 0.000 0.891 1250 L HN 0.318 nan 8.230 nan 0.000 0.432 1251 Q N -0.486 119.455 119.800 0.236 0.000 2.012 1251 Q HA -0.253 4.087 4.340 -0.001 0.000 0.211 1251 Q C 1.659 177.878 176.000 0.364 0.000 1.009 1251 Q CA 2.262 58.278 55.803 0.356 0.000 0.866 1251 Q CB -0.285 28.599 28.738 0.242 0.000 0.945 1251 Q HN 0.552 nan 8.270 nan 0.000 0.414 1252 E N -0.067 120.278 120.200 0.242 0.000 2.526 1252 E HA -0.062 4.287 4.350 -0.001 0.000 0.198 1252 E C 1.509 178.196 176.600 0.145 0.000 1.091 1252 E CA 0.770 57.308 56.400 0.230 0.000 0.880 1252 E CB 0.094 29.900 29.700 0.177 0.000 0.873 1252 E HN 0.341 nan 8.360 nan 0.000 0.527 1253 S N -0.584 115.145 115.700 0.048 0.000 2.517 1253 S HA 0.091 4.560 4.470 -0.001 0.000 0.214 1253 S C 0.501 175.064 174.600 -0.063 0.000 0.991 1253 S CA -0.517 57.654 58.200 -0.049 0.000 0.906 1253 S CB -0.226 62.881 63.200 -0.155 0.000 0.789 1253 S HN -0.040 nan 8.310 nan 0.000 0.513 1254 F N 1.830 121.851 119.950 0.119 0.000 2.412 1254 F HA 0.352 4.878 4.527 -0.001 0.000 0.348 1254 F C 1.539 177.430 175.800 0.152 0.000 1.102 1254 F CA -0.720 57.347 58.000 0.112 0.000 1.196 1254 F CB 1.002 40.054 39.000 0.086 0.000 1.144 1254 F HN -0.164 nan 8.300 nan 0.000 0.541 1255 V N 2.309 122.425 119.914 0.337 0.000 2.469 1255 V HA -0.314 3.805 4.120 -0.001 0.000 0.251 1255 V C 1.974 178.275 176.094 0.344 0.000 1.064 1255 V CA 2.108 64.591 62.300 0.304 0.000 1.066 1255 V CB -0.661 31.265 31.823 0.173 0.000 0.667 1255 V HN 0.872 nan 8.190 nan 0.000 0.461 1256 N N -0.712 118.152 118.700 0.273 0.000 2.322 1256 N HA -0.053 4.686 4.740 -0.001 0.000 0.194 1256 N C 1.199 176.817 175.510 0.180 0.000 1.126 1256 N CA 0.874 54.045 53.050 0.202 0.000 0.845 1256 N CB 0.171 38.722 38.487 0.107 0.000 0.976 1256 N HN 0.416 nan 8.380 nan 0.000 0.475 1257 T N 0.944 115.644 114.554 0.242 0.000 2.985 1257 T HA 0.050 4.399 4.350 -0.001 0.000 0.266 1257 T C 1.778 176.641 174.700 0.272 0.000 1.076 1257 T CA 0.664 62.883 62.100 0.198 0.000 1.135 1257 T CB 0.018 69.062 68.868 0.293 0.000 0.890 1257 T HN 0.060 nan 8.240 nan 0.000 0.480 1258 M N 1.986 121.755 119.600 0.282 0.000 2.084 1258 M HA 0.036 4.515 4.480 -0.001 0.000 0.259 1258 M C 2.755 179.196 176.300 0.234 0.000 1.072 1258 M CA 1.767 57.190 55.300 0.204 0.000 1.107 1258 M CB -1.202 31.366 32.600 -0.053 0.000 1.299 1258 M HN 0.274 nan 8.290 nan 0.000 0.413 1259 A N -0.023 122.937 122.820 0.235 0.000 1.927 1259 A HA -0.178 4.142 4.320 -0.001 0.000 0.220 1259 A C 2.425 180.097 177.584 0.147 0.000 1.185 1259 A CA 2.658 54.810 52.037 0.192 0.000 0.639 1259 A CB -1.449 17.654 19.000 0.172 0.000 0.820 1259 A HN 0.549 nan 8.150 nan 0.000 0.451 1260 A N -1.594 121.281 122.820 0.091 0.000 1.865 1260 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 1260 A C 2.029 179.616 177.584 0.006 0.000 1.191 1260 A CA 1.484 53.508 52.037 -0.022 0.000 0.623 1260 A CB -1.069 17.832 19.000 -0.166 0.000 0.826 1260 A HN 0.771 nan 8.150 nan 0.000 0.444 1261 W N -0.433 120.919 121.300 0.087 0.000 2.374 1261 W HA -0.119 4.540 4.660 -0.001 0.000 0.288 1261 W C 2.241 178.832 176.519 0.121 0.000 1.218 1261 W CA 1.018 58.418 57.345 0.091 0.000 1.245 1261 W CB -0.219 29.281 29.460 0.067 0.000 1.126 1261 W HN 0.159 nan 8.180 nan 0.000 0.545 1262 V N 0.114 120.235 119.914 0.344 0.000 2.343 1262 V HA -0.340 3.779 4.120 -0.001 0.000 0.247 1262 V C 1.741 177.969 176.094 0.225 0.000 1.051 1262 V CA 2.335 64.800 62.300 0.274 0.000 1.036 1262 V CB -0.919 31.034 31.823 0.217 0.000 0.654 1262 V HN 0.225 nan 8.190 nan 0.000 0.451 1263 N N -0.638 118.170 118.700 0.180 0.000 2.331 1263 N HA -0.040 4.700 4.740 -0.001 0.000 0.180 1263 N C 1.635 177.239 175.510 0.156 0.000 1.019 1263 N CA 0.883 54.024 53.050 0.151 0.000 0.881 1263 N CB -0.072 38.480 38.487 0.107 0.000 0.972 1263 N HN 0.433 nan 8.380 nan 0.000 0.435 1264 M N -0.736 118.958 119.600 0.157 0.000 2.556 1264 M HA 0.104 4.583 4.480 -0.001 0.000 0.245 1264 M C 0.815 177.257 176.300 0.237 0.000 1.128 1264 M CA 0.635 56.026 55.300 0.151 0.000 1.069 1264 M CB 0.454 33.075 32.600 0.035 0.000 1.469 1264 M HN 0.149 nan 8.290 nan 0.000 0.494 1265 L N -1.506 119.880 121.223 0.271 0.000 2.803 1265 L HA 0.233 4.572 4.340 -0.001 0.000 0.246 1265 L C 1.388 178.332 176.870 0.124 0.000 1.100 1265 L CA 0.069 55.068 54.840 0.264 0.000 0.919 1265 L CB 0.503 42.809 42.059 0.412 0.000 1.285 1265 L HN 0.260 nan 8.230 nan 0.000 0.522 1266 L N -1.215 120.073 121.223 0.109 0.000 3.383 1266 L HA 0.238 4.577 4.340 -0.001 0.000 0.169 1266 L C 0.088 177.015 176.870 0.094 0.000 1.161 1266 L CA -0.334 54.511 54.840 0.008 0.000 0.847 1266 L CB 0.169 42.222 42.059 -0.009 0.000 1.514 1266 L HN -0.106 nan 8.230 nan 0.000 0.582 1267 L N 1.875 123.199 121.223 0.168 0.000 2.363 1267 L HA 0.195 4.534 4.340 -0.001 0.000 0.286 1267 L C 0.328 177.395 176.870 0.329 0.000 1.106 1267 L CA -0.223 54.779 54.840 0.270 0.000 0.859 1267 L CB 0.407 42.577 42.059 0.185 0.000 1.223 1267 L HN 0.242 nan 8.230 nan 0.000 0.446 1268 S N 0.244 116.229 115.700 0.475 0.000 3.324 1268 S HA 0.151 4.620 4.470 -0.001 0.000 0.229 1268 S C 0.531 175.263 174.600 0.221 0.000 1.417 1268 S CA -0.732 57.662 58.200 0.324 0.000 1.211 1268 S CB -0.445 62.932 63.200 0.296 0.000 1.157 1268 S HN 0.694 nan 8.310 nan 0.000 0.491 1269 S N 0.933 116.762 115.700 0.215 0.000 2.562 1269 S HA 0.376 4.845 4.470 -0.001 0.000 0.275 1269 S C 0.775 175.358 174.600 -0.028 0.000 1.281 1269 S CA -0.198 58.058 58.200 0.093 0.000 1.045 1269 S CB 1.136 64.446 63.200 0.183 0.000 0.962 1269 S HN 0.552 nan 8.310 nan 0.000 0.503 1270 T N 0.653 115.095 114.554 -0.186 0.000 3.273 1270 T HA 0.392 4.741 4.350 -0.001 0.000 0.254 1270 T C 0.900 175.544 174.700 -0.094 0.000 1.002 1270 T CA -0.168 61.827 62.100 -0.176 0.000 0.913 1270 T CB -0.857 67.769 68.868 -0.403 0.000 1.056 1270 T HN 0.838 nan 8.240 nan 0.000 0.576 1271 G N 2.247 111.020 108.800 -0.045 0.000 2.570 1271 G HA2 0.512 4.472 3.960 -0.001 0.000 0.276 1271 G HA3 0.512 4.472 3.960 -0.001 0.000 0.276 1271 G C -2.476 172.422 174.900 -0.003 0.000 1.346 1271 G CA -1.282 43.809 45.100 -0.015 0.000 1.034 1271 G HN 0.336 nan 8.290 nan 0.000 0.512 1272 P HA 0.409 nan 4.420 nan 0.000 0.276 1272 P C -0.545 176.765 177.300 0.017 0.000 1.261 1272 P CA -0.266 62.839 63.100 0.008 0.000 0.800 1272 P CB 0.748 32.452 31.700 0.007 0.000 1.066 1273 I N -1.048 119.533 120.570 0.019 0.000 2.714 1273 I HA 0.335 4.504 4.170 -0.001 0.000 0.274 1273 I C -0.411 175.724 176.117 0.029 0.000 1.261 1273 I CA -0.437 60.880 61.300 0.030 0.000 1.008 1273 I CB 1.040 39.057 38.000 0.028 0.000 1.289 1273 I HN -0.039 nan 8.210 nan 0.000 0.529 1274 K N 3.677 124.096 120.400 0.032 0.000 2.292 1274 K HA 0.514 4.833 4.320 -0.001 0.000 0.270 1274 K C -0.120 176.504 176.600 0.040 0.000 1.062 1274 K CA -0.323 55.982 56.287 0.030 0.000 0.916 1274 K CB 1.301 33.816 32.500 0.025 0.000 1.166 1274 K HN 0.590 nan 8.250 nan 0.000 0.458 1275 T N 1.370 115.950 114.554 0.044 0.000 2.770 1275 T HA 0.584 4.934 4.350 -0.001 0.000 0.283 1275 T C -2.461 172.260 174.700 0.036 0.000 0.988 1275 T CA -2.031 60.101 62.100 0.054 0.000 0.957 1275 T CB 1.370 70.288 68.868 0.083 0.000 0.930 1275 T HN 0.196 nan 8.240 nan 0.000 0.443 1276 P HA 0.633 nan 4.420 nan 0.000 0.296 1276 P C -1.187 176.100 177.300 -0.022 0.000 1.310 1276 P CA -0.976 62.124 63.100 0.001 0.000 0.900 1276 P CB 1.722 33.420 31.700 -0.005 0.000 1.111 1277 V N 1.722 121.628 119.914 -0.013 0.000 2.276 1277 V HA 0.467 4.586 4.120 -0.001 0.000 0.268 1277 V C 0.951 177.039 176.094 -0.010 0.000 1.032 1277 V CA -0.200 62.087 62.300 -0.022 0.000 0.810 1277 V CB 0.904 32.725 31.823 -0.004 0.000 1.060 1277 V HN 0.871 nan 8.190 nan 0.000 0.446 1278 G N 2.500 111.290 108.800 -0.017 0.000 3.936 1278 G HA2 0.566 4.525 3.960 -0.001 0.000 0.296 1278 G HA3 0.566 4.525 3.960 -0.001 0.000 0.296 1278 G C 0.795 175.710 174.900 0.026 0.000 1.121 1278 G CA 0.665 45.765 45.100 -0.001 0.000 0.899 1278 G HN 1.107 nan 8.290 nan 0.000 0.542 1279 A N -0.427 122.413 122.820 0.034 0.000 5.568 1279 A HA -0.358 3.962 4.320 -0.001 0.000 0.322 1279 A C 2.212 179.855 177.584 0.098 0.000 1.802 1279 A CA 1.414 53.498 52.037 0.078 0.000 0.727 1279 A CB -1.550 17.558 19.000 0.179 0.000 1.362 1279 A HN 0.975 nan 8.150 nan 0.000 0.396 1280 C N -0.416 119.007 119.300 0.205 0.000 2.400 1280 C HA 0.165 4.625 4.460 -0.001 0.000 0.291 1280 C C 2.605 177.684 174.990 0.147 0.000 1.372 1280 C CA 1.603 60.780 59.018 0.265 0.000 1.800 1280 C CB -1.992 26.021 27.740 0.456 0.000 1.869 1280 C HN 1.521 nan 8.230 nan 0.000 0.533 1281 A N 0.322 123.167 122.820 0.040 0.000 2.470 1281 A HA 0.176 4.496 4.320 -0.001 0.000 0.251 1281 A C 1.952 179.506 177.584 -0.050 0.000 1.245 1281 A CA 0.896 52.903 52.037 -0.051 0.000 0.932 1281 A CB -0.557 18.363 19.000 -0.134 0.000 1.037 1281 A HN 0.592 nan 8.150 nan 0.000 0.522 1282 T N -1.677 112.855 114.554 -0.035 0.000 2.699 1282 T HA -0.211 4.138 4.350 -0.001 0.000 0.268 1282 T C 1.910 176.580 174.700 -0.051 0.000 1.036 1282 T CA 1.977 64.045 62.100 -0.054 0.000 1.147 1282 T CB -0.636 68.177 68.868 -0.091 0.000 0.862 1282 T HN 0.660 nan 8.240 nan 0.000 0.446 1283 A N 0.781 123.571 122.820 -0.049 0.000 1.940 1283 A HA 0.058 4.378 4.320 -0.001 0.000 0.219 1283 A C 2.655 180.230 177.584 -0.015 0.000 1.176 1283 A CA 1.828 53.849 52.037 -0.026 0.000 0.631 1283 A CB -0.982 18.002 19.000 -0.027 0.000 0.814 1283 A HN 0.486 nan 8.150 nan 0.000 0.446 1284 V N -0.290 119.602 119.914 -0.037 0.000 2.302 1284 V HA -0.207 3.913 4.120 -0.001 0.000 0.243 1284 V C 2.461 178.527 176.094 -0.047 0.000 1.036 1284 V CA 1.900 64.171 62.300 -0.048 0.000 1.020 1284 V CB -0.741 31.029 31.823 -0.088 0.000 0.657 1284 V HN 0.778 nan 8.190 nan 0.000 0.453 1285 E N 0.261 120.428 120.200 -0.055 0.000 2.147 1285 E HA -0.321 4.028 4.350 -0.001 0.000 0.199 1285 E C 2.343 178.937 176.600 -0.010 0.000 1.005 1285 E CA 1.808 58.184 56.400 -0.038 0.000 0.810 1285 E CB -0.182 29.495 29.700 -0.039 0.000 0.736 1285 E HN 0.534 nan 8.360 nan 0.000 0.460 1286 S N -0.052 115.645 115.700 -0.005 0.000 2.348 1286 S HA -0.181 4.288 4.470 -0.001 0.000 0.221 1286 S C 2.013 176.635 174.600 0.037 0.000 1.033 1286 S CA 1.219 59.430 58.200 0.019 0.000 1.010 1286 S CB -0.398 62.815 63.200 0.021 0.000 0.891 1286 S HN 0.379 nan 8.310 nan 0.000 0.442 1287 L N 2.592 123.832 121.223 0.028 0.000 2.013 1287 L HA -0.133 4.207 4.340 -0.001 0.000 0.212 1287 L C 2.237 179.144 176.870 0.061 0.000 1.073 1287 L CA 2.700 57.564 54.840 0.041 0.000 0.753 1287 L CB -1.071 40.994 42.059 0.011 0.000 0.890 1287 L HN 0.468 nan 8.230 nan 0.000 0.432 1288 D N -0.879 119.536 120.400 0.026 0.000 2.092 1288 D HA -0.186 4.453 4.640 -0.001 0.000 0.193 1288 D C 2.062 178.442 176.300 0.134 0.000 0.994 1288 D CA 2.044 56.078 54.000 0.056 0.000 0.828 1288 D CB -0.067 40.736 40.800 0.006 0.000 0.963 1288 D HN 0.268 nan 8.370 nan 0.000 0.450 1289 V N 1.109 121.071 119.914 0.079 0.000 2.255 1289 V HA -0.203 3.916 4.120 -0.001 0.000 0.247 1289 V C 2.749 178.891 176.094 0.080 0.000 1.051 1289 V CA 2.185 64.527 62.300 0.070 0.000 1.018 1289 V CB -1.132 30.717 31.823 0.044 0.000 0.641 1289 V HN 0.410 nan 8.190 nan 0.000 0.445 1290 G N -1.758 107.094 108.800 0.088 0.000 2.418 1290 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.217 1290 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.217 1290 G C 1.491 176.454 174.900 0.106 0.000 1.158 1290 G CA 1.191 46.340 45.100 0.082 0.000 0.771 1290 G HN 0.567 nan 8.290 nan 0.000 0.545 1291 Y N 1.996 122.305 120.300 0.015 0.000 2.049 1291 Y HA -0.203 4.346 4.550 -0.001 0.000 0.277 1291 Y C 2.533 178.441 175.900 0.012 0.000 1.143 1291 Y CA 2.292 60.403 58.100 0.018 0.000 1.115 1291 Y CB -0.384 38.088 38.460 0.021 0.000 0.975 1291 Y HN 0.200 nan 8.280 nan 0.000 0.487 1292 D N -0.626 119.793 120.400 0.032 0.000 2.106 1292 D HA -0.195 4.444 4.640 -0.001 0.000 0.191 1292 D C 2.214 178.454 176.300 -0.100 0.000 0.997 1292 D CA 2.215 56.166 54.000 -0.081 0.000 0.834 1292 D CB -0.811 40.012 40.800 0.037 0.000 0.956 1292 D HN 0.399 nan 8.370 nan 0.000 0.448 1293 T N 0.821 115.354 114.554 -0.036 0.000 2.699 1293 T HA -0.130 4.220 4.350 -0.001 0.000 0.268 1293 T C 2.084 176.751 174.700 -0.054 0.000 1.036 1293 T CA 0.665 62.746 62.100 -0.032 0.000 1.147 1293 T CB -0.196 68.671 68.868 -0.002 0.000 0.862 1293 T HN 0.173 nan 8.240 nan 0.000 0.446 1294 I N 0.503 121.031 120.570 -0.071 0.000 2.286 1294 I HA -0.055 4.114 4.170 -0.001 0.000 0.245 1294 I C 2.043 178.090 176.117 -0.116 0.000 1.104 1294 I CA 1.109 62.364 61.300 -0.075 0.000 1.397 1294 I CB -0.272 37.695 38.000 -0.054 0.000 1.072 1294 I HN 0.280 nan 8.210 nan 0.000 0.417 1295 M N 0.022 119.498 119.600 -0.205 0.000 2.691 1295 M HA -0.051 4.429 4.480 -0.001 0.000 0.227 1295 M C 0.892 177.101 176.300 -0.152 0.000 1.120 1295 M CA 0.816 55.985 55.300 -0.217 0.000 1.034 1295 M CB -0.059 32.318 32.600 -0.372 0.000 1.675 1295 M HN 0.280 nan 8.290 nan 0.000 0.514 1296 Q N -0.645 119.088 119.800 -0.112 0.000 2.139 1296 Q HA 0.219 4.558 4.340 -0.001 0.000 0.219 1296 Q C 1.115 177.080 176.000 -0.058 0.000 0.805 1296 Q CA 0.348 56.102 55.803 -0.082 0.000 1.024 1296 Q CB 1.448 30.144 28.738 -0.070 0.000 1.163 1296 Q HN 0.690 nan 8.270 nan 0.000 0.485 1297 G N 1.606 110.374 108.800 -0.053 0.000 2.199 1297 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.254 1297 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.254 1297 G C 1.140 176.030 174.900 -0.018 0.000 0.982 1297 G CA 0.601 45.681 45.100 -0.033 0.000 0.632 1297 G HN 0.213 nan 8.290 nan 0.000 0.529 1298 K N 0.249 120.636 120.400 -0.022 0.000 2.097 1298 K HA 0.305 4.624 4.320 -0.001 0.000 0.206 1298 K C 1.243 177.843 176.600 -0.000 0.000 1.049 1298 K CA 1.624 57.905 56.287 -0.010 0.000 0.933 1298 K CB -0.084 32.408 32.500 -0.014 0.000 0.717 1298 K HN 1.280 nan 8.250 nan 0.000 0.442 1299 A N 0.031 122.849 122.820 -0.005 0.000 2.609 1299 A HA 0.559 4.879 4.320 -0.001 0.000 0.291 1299 A C 0.094 177.679 177.584 0.002 0.000 1.096 1299 A CA -0.694 51.344 52.037 0.003 0.000 0.684 1299 A CB 1.422 20.418 19.000 -0.008 0.000 1.282 1299 A HN 0.037 nan 8.150 nan 0.000 0.412 1300 R N -0.410 120.098 120.500 0.014 0.000 2.257 1300 R HA 0.319 4.658 4.340 -0.001 0.000 0.195 1300 R C 0.199 176.504 176.300 0.009 0.000 0.921 1300 R CA 0.659 56.773 56.100 0.023 0.000 1.069 1300 R CB 0.932 31.267 30.300 0.058 0.000 1.115 1300 R HN 0.493 nan 8.270 nan 0.000 0.571 1301 V N -0.504 119.384 119.914 -0.043 0.000 3.019 1301 V HA 0.563 4.683 4.120 -0.001 0.000 0.317 1301 V C -1.404 174.615 176.094 -0.125 0.000 1.094 1301 V CA -0.567 61.666 62.300 -0.112 0.000 1.000 1301 V CB 2.096 33.715 31.823 -0.340 0.000 1.060 1301 V HN 0.261 nan 8.190 nan 0.000 0.443 1302 C N 5.315 124.553 119.300 -0.102 0.000 3.135 1302 C HA 0.402 4.861 4.460 -0.001 0.000 0.428 1302 C C -0.927 174.058 174.990 -0.008 0.000 0.972 1302 C CA -0.976 58.012 59.018 -0.050 0.000 1.218 1302 C CB 0.187 27.924 27.740 -0.005 0.000 1.595 1302 C HN 0.964 nan 8.230 nan 0.000 0.576 1303 L N 5.146 126.371 121.223 0.004 0.000 2.397 1303 L HA 0.741 5.081 4.340 -0.001 0.000 0.271 1303 L C -0.079 176.835 176.870 0.074 0.000 1.148 1303 L CA -0.037 54.835 54.840 0.053 0.000 0.825 1303 L CB 1.323 43.425 42.059 0.072 0.000 1.117 1303 L HN 0.454 nan 8.230 nan 0.000 0.456 1304 V N 1.486 121.453 119.914 0.089 0.000 3.012 1304 V HA 0.946 5.065 4.120 -0.001 0.000 0.307 1304 V C 0.080 176.239 176.094 0.109 0.000 1.166 1304 V CA -0.135 62.220 62.300 0.091 0.000 0.974 1304 V CB 2.030 33.899 31.823 0.077 0.000 1.040 1304 V HN 1.004 nan 8.190 nan 0.000 0.428 1305 G N 1.672 110.537 108.800 0.108 0.000 2.333 1305 G HA2 0.608 4.567 3.960 -0.001 0.000 0.288 1305 G HA3 0.608 4.567 3.960 -0.001 0.000 0.288 1305 G C -0.678 174.281 174.900 0.098 0.000 1.286 1305 G CA 0.216 45.388 45.100 0.120 0.000 0.865 1305 G HN 1.371 nan 8.290 nan 0.000 0.506 1306 G N -1.381 107.479 108.800 0.100 0.000 2.690 1306 G HA2 1.033 4.992 3.960 -0.001 0.000 0.291 1306 G HA3 1.033 4.992 3.960 -0.001 0.000 0.291 1306 G C -1.067 173.899 174.900 0.109 0.000 1.403 1306 G CA 0.002 45.097 45.100 -0.008 0.000 0.864 1306 G HN 1.766 nan 8.290 nan 0.000 0.480 1307 F N -1.303 118.674 119.950 0.044 0.000 2.711 1307 F HA 0.884 5.410 4.527 -0.001 0.000 0.313 1307 F C -1.560 174.280 175.800 0.065 0.000 1.141 1307 F CA -1.155 56.885 58.000 0.066 0.000 0.941 1307 F CB 2.282 41.369 39.000 0.144 0.000 1.349 1307 F HN 0.525 nan 8.300 nan 0.000 0.464 1308 D N 0.020 120.656 120.400 0.395 0.000 2.884 1308 D HA 0.256 4.896 4.640 -0.001 0.000 0.255 1308 D C -2.157 174.335 176.300 0.320 0.000 1.142 1308 D CA -0.281 53.897 54.000 0.296 0.000 0.726 1308 D CB 2.162 43.031 40.800 0.115 0.000 1.436 1308 D HN 0.723 nan 8.370 nan 0.000 0.441 1309 D N -0.232 120.359 120.400 0.319 0.000 2.506 1309 D HA 0.557 5.196 4.640 -0.001 0.000 0.254 1309 D C -1.116 175.405 176.300 0.370 0.000 1.089 1309 D CA -0.441 53.781 54.000 0.371 0.000 1.050 1309 D CB 1.169 42.181 40.800 0.352 0.000 1.221 1309 D HN 0.156 nan 8.370 nan 0.000 0.589 1310 F N 1.328 121.453 119.950 0.293 0.000 2.436 1310 F HA 0.439 4.965 4.527 -0.001 0.000 0.340 1310 F C -0.633 175.284 175.800 0.195 0.000 1.113 1310 F CA -0.216 57.926 58.000 0.236 0.000 1.022 1310 F CB 0.932 40.091 39.000 0.266 0.000 1.128 1310 F HN 0.050 nan 8.300 nan 0.000 0.466 1311 Q N 4.677 123.996 119.800 -0.802 0.000 2.345 1311 Q HA 0.091 4.431 4.340 -0.001 0.000 0.275 1311 Q C 0.536 175.977 176.000 -0.932 0.000 1.063 1311 Q CA -0.507 54.913 55.803 -0.639 0.000 0.819 1311 Q CB 2.242 30.821 28.738 -0.264 0.000 1.356 1311 Q HN 0.949 nan 8.270 nan 0.000 0.418 1312 E N 1.969 121.612 120.200 -0.929 0.000 2.114 1312 E HA -0.257 4.092 4.350 -0.001 0.000 0.199 1312 E C 0.679 176.956 176.600 -0.539 0.000 1.008 1312 E CA 1.934 57.663 56.400 -1.119 0.000 0.810 1312 E CB 0.448 29.560 29.700 -0.979 0.000 0.739 1312 E HN 0.534 nan 8.360 nan 0.000 0.456 1313 E N -0.285 119.683 120.200 -0.388 0.000 2.072 1313 E HA -0.095 4.255 4.350 -0.001 0.000 0.190 1313 E C 2.210 178.688 176.600 -0.203 0.000 0.982 1313 E CA 0.944 57.191 56.400 -0.255 0.000 0.803 1313 E CB -0.430 29.137 29.700 -0.221 0.000 0.755 1313 E HN 0.424 nan 8.360 nan 0.000 0.453 1314 G N 1.540 110.194 108.800 -0.242 0.000 2.453 1314 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.215 1314 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.215 1314 G C 1.768 176.635 174.900 -0.054 0.000 1.201 1314 G CA 1.161 46.139 45.100 -0.204 0.000 0.784 1314 G HN 0.345 nan 8.290 nan 0.000 0.545 1315 S N -0.691 114.985 115.700 -0.040 0.000 2.374 1315 S HA -0.207 4.262 4.470 -0.001 0.000 0.227 1315 S C 2.103 176.945 174.600 0.404 0.000 1.037 1315 S CA 1.725 60.069 58.200 0.240 0.000 1.024 1315 S CB -0.471 62.846 63.200 0.194 0.000 0.861 1315 S HN 0.486 nan 8.310 nan 0.000 0.456 1316 Y N 1.474 121.842 120.300 0.114 0.000 2.242 1316 Y HA -0.058 4.491 4.550 -0.001 0.000 0.291 1316 Y C 2.398 178.294 175.900 -0.007 0.000 1.137 1316 Y CA 2.018 60.075 58.100 -0.072 0.000 1.181 1316 Y CB -0.216 37.992 38.460 -0.421 0.000 0.989 1316 Y HN 0.249 nan 8.280 nan 0.000 0.527 1317 E N -0.131 120.110 120.200 0.069 0.000 2.046 1317 E HA -0.155 4.194 4.350 -0.001 0.000 0.190 1317 E C 1.971 178.529 176.600 -0.069 0.000 0.982 1317 E CA 1.457 57.819 56.400 -0.064 0.000 0.800 1317 E CB -0.712 28.856 29.700 -0.221 0.000 0.756 1317 E HN 0.551 nan 8.360 nan 0.000 0.449 1318 F N 0.359 120.328 119.950 0.032 0.000 2.161 1318 F HA -0.230 4.296 4.527 -0.001 0.000 0.300 1318 F C 2.260 178.082 175.800 0.036 0.000 1.089 1318 F CA 0.826 58.858 58.000 0.054 0.000 1.282 1318 F CB -0.260 38.776 39.000 0.060 0.000 1.010 1318 F HN 0.096 nan 8.300 nan 0.000 0.485 1319 A N 0.377 123.331 122.820 0.223 0.000 1.908 1319 A HA -0.259 4.060 4.320 -0.001 0.000 0.218 1319 A C 1.810 179.423 177.584 0.047 0.000 1.181 1319 A CA 2.238 54.346 52.037 0.119 0.000 0.627 1319 A CB -0.987 18.150 19.000 0.229 0.000 0.818 1319 A HN 0.426 nan 8.150 nan 0.000 0.445 1320 N N -0.524 118.171 118.700 -0.009 0.000 2.289 1320 N HA -0.078 4.662 4.740 -0.001 0.000 0.184 1320 N C 1.715 177.252 175.510 0.044 0.000 1.016 1320 N CA 1.715 54.754 53.050 -0.018 0.000 0.872 1320 N CB -0.259 38.204 38.487 -0.041 0.000 0.973 1320 N HN 0.538 nan 8.380 nan 0.000 0.433 1321 M N -1.920 117.741 119.600 0.102 0.000 2.288 1321 M HA 0.161 4.641 4.480 -0.001 0.000 0.266 1321 M C 1.177 177.569 176.300 0.153 0.000 1.072 1321 M CA 1.073 56.467 55.300 0.156 0.000 1.132 1321 M CB 0.189 32.948 32.600 0.265 0.000 1.386 1321 M HN 0.290 nan 8.290 nan 0.000 0.432 1322 G N -0.229 108.656 108.800 0.142 0.000 2.148 1322 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.203 1322 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.203 1322 G C 0.794 175.763 174.900 0.114 0.000 0.993 1322 G CA 0.321 45.479 45.100 0.096 0.000 0.661 1322 G HN 0.506 nan 8.290 nan 0.000 0.518 1323 A N -0.108 122.832 122.820 0.200 0.000 1.878 1323 A HA 0.448 4.767 4.320 -0.001 0.000 0.213 1323 A C 1.850 179.397 177.584 -0.061 0.000 1.192 1323 A CA 2.240 54.444 52.037 0.279 0.000 0.619 1323 A CB -0.669 18.732 19.000 0.668 0.000 0.837 1323 A HN 1.510 nan 8.150 nan 0.000 0.446 1324 T N -0.066 114.269 114.554 -0.365 0.000 2.766 1324 T HA 0.426 4.776 4.350 -0.001 0.000 0.295 1324 T C 0.337 174.849 174.700 -0.314 0.000 1.024 1324 T CA 0.034 61.737 62.100 -0.662 0.000 1.018 1324 T CB 0.798 69.333 68.868 -0.554 0.000 1.002 1324 T HN 0.558 nan 8.240 nan 0.000 0.532 1325 S N 0.931 116.450 115.700 -0.301 0.000 2.480 1325 S HA 0.280 4.749 4.470 -0.001 0.000 0.286 1325 S C 0.013 174.502 174.600 -0.184 0.000 1.180 1325 S CA -1.079 57.009 58.200 -0.187 0.000 1.075 1325 S CB 0.584 63.688 63.200 -0.160 0.000 0.996 1325 S HN 0.714 nan 8.310 nan 0.000 0.487 1326 N N 2.194 120.807 118.700 -0.145 0.000 2.406 1326 N HA 0.137 4.876 4.740 -0.001 0.000 0.269 1326 N C 1.287 176.725 175.510 -0.121 0.000 1.210 1326 N CA 0.209 53.176 53.050 -0.139 0.000 0.966 1326 N CB 0.612 39.041 38.487 -0.097 0.000 1.293 1326 N HN 0.795 nan 8.380 nan 0.000 0.491 1327 A N 4.948 127.691 122.820 -0.127 0.000 1.903 1327 A HA -0.221 4.099 4.320 -0.001 0.000 0.219 1327 A C 2.126 179.779 177.584 0.116 0.000 1.191 1327 A CA 1.546 53.541 52.037 -0.071 0.000 0.638 1327 A CB -0.347 18.668 19.000 0.024 0.000 0.823 1327 A HN 0.728 nan 8.150 nan 0.000 0.451 1328 K N -0.680 119.794 120.400 0.123 0.000 2.103 1328 K HA -0.179 4.140 4.320 -0.001 0.000 0.207 1328 K C 2.054 178.709 176.600 0.090 0.000 1.048 1328 K CA 1.791 58.164 56.287 0.143 0.000 0.930 1328 K CB -0.146 32.370 32.500 0.027 0.000 0.716 1328 K HN 0.665 nan 8.250 nan 0.000 0.444 1329 E N 0.043 120.249 120.200 0.009 0.000 2.107 1329 E HA -0.139 4.211 4.350 -0.001 0.000 0.191 1329 E C 1.847 178.419 176.600 -0.046 0.000 0.982 1329 E CA 0.684 57.069 56.400 -0.025 0.000 0.809 1329 E CB 0.169 29.841 29.700 -0.047 0.000 0.756 1329 E HN 0.301 nan 8.360 nan 0.000 0.459 1330 E N -0.008 120.140 120.200 -0.087 0.000 2.152 1330 E HA -0.118 4.231 4.350 -0.001 0.000 0.192 1330 E C 1.715 178.208 176.600 -0.178 0.000 0.983 1330 E CA 0.531 56.835 56.400 -0.161 0.000 0.818 1330 E CB -0.028 29.527 29.700 -0.241 0.000 0.758 1330 E HN 0.249 nan 8.360 nan 0.000 0.467 1331 F N 0.835 120.732 119.950 -0.087 0.000 2.216 1331 F HA -0.144 4.383 4.527 -0.001 0.000 0.300 1331 F C 2.364 178.093 175.800 -0.118 0.000 1.085 1331 F CA 0.809 58.754 58.000 -0.092 0.000 1.326 1331 F CB -0.027 38.920 39.000 -0.088 0.000 1.027 1331 F HN 0.018 nan 8.300 nan 0.000 0.497 1332 A N -0.211 122.644 122.820 0.058 0.000 2.168 1332 A HA -0.066 4.253 4.320 -0.001 0.000 0.215 1332 A C 1.934 179.452 177.584 -0.111 0.000 1.152 1332 A CA 0.783 52.795 52.037 -0.041 0.000 0.716 1332 A CB -0.442 18.528 19.000 -0.050 0.000 0.794 1332 A HN 0.319 nan 8.150 nan 0.000 0.465 1333 R N -1.417 119.019 120.500 -0.107 0.000 2.393 1333 R HA 0.233 4.572 4.340 -0.001 0.000 0.244 1333 R C 1.104 177.307 176.300 -0.162 0.000 0.920 1333 R CA 0.480 56.497 56.100 -0.139 0.000 1.076 1333 R CB 0.135 30.370 30.300 -0.107 0.000 1.119 1333 R HN 0.592 nan 8.270 nan 0.000 0.524 1334 G N 1.838 110.533 108.800 -0.175 0.000 2.148 1334 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.254 1334 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.254 1334 G C 0.098 174.988 174.900 -0.017 0.000 0.981 1334 G CA -0.134 44.835 45.100 -0.218 0.000 0.670 1334 G HN 0.096 nan 8.290 nan 0.000 0.528 1335 R N 0.637 121.101 120.500 -0.059 0.000 2.615 1335 R HA 0.534 4.874 4.340 -0.001 0.000 0.270 1335 R C 0.527 176.749 176.300 -0.130 0.000 1.081 1335 R CA -0.010 56.039 56.100 -0.084 0.000 1.154 1335 R CB 0.404 30.598 30.300 -0.177 0.000 1.063 1335 R HN 0.598 nan 8.270 nan 0.000 0.519 1336 E N 1.522 121.662 120.200 -0.100 0.000 2.244 1336 E HA 0.331 4.681 4.350 -0.001 0.000 0.266 1336 E C -2.385 174.125 176.600 -0.150 0.000 0.914 1336 E CA -2.147 54.211 56.400 -0.070 0.000 0.794 1336 E CB 1.635 31.354 29.700 0.032 0.000 1.210 1336 E HN 0.169 nan 8.360 nan 0.000 0.414 1337 P HA -0.034 nan 4.420 nan 0.000 0.260 1337 P C 0.481 177.763 177.300 -0.030 0.000 1.207 1337 P CA 1.055 64.096 63.100 -0.099 0.000 0.780 1337 P CB 0.270 31.975 31.700 0.008 0.000 0.789 1338 G N 3.567 112.352 108.800 -0.024 0.000 2.561 1338 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.203 1338 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.203 1338 G C 1.095 176.034 174.900 0.065 0.000 1.101 1338 G CA 0.123 45.256 45.100 0.055 0.000 0.711 1338 G HN 0.514 nan 8.290 nan 0.000 0.511 1339 E N 0.634 120.849 120.200 0.024 0.000 2.515 1339 E HA 0.093 4.442 4.350 -0.001 0.000 0.201 1339 E C 2.439 179.029 176.600 -0.016 0.000 1.071 1339 E CA 0.708 57.118 56.400 0.018 0.000 0.880 1339 E CB -0.236 29.472 29.700 0.013 0.000 0.828 1339 E HN 0.548 nan 8.360 nan 0.000 0.540 1340 M N -0.003 119.567 119.600 -0.049 0.000 2.229 1340 M HA -0.046 4.433 4.480 -0.001 0.000 0.264 1340 M C 1.397 177.674 176.300 -0.037 0.000 1.063 1340 M CA 0.694 55.939 55.300 -0.093 0.000 1.114 1340 M CB -0.291 32.223 32.600 -0.143 0.000 1.387 1340 M HN -0.059 nan 8.290 nan 0.000 0.420 1341 S N 2.251 117.965 115.700 0.023 0.000 2.434 1341 S HA 0.334 4.803 4.470 -0.001 0.000 0.318 1341 S C -0.105 174.546 174.600 0.085 0.000 1.062 1341 S CA -0.784 57.454 58.200 0.063 0.000 1.116 1341 S CB 0.139 63.404 63.200 0.108 0.000 0.977 1341 S HN 0.374 nan 8.310 nan 0.000 0.480 1342 R N 4.296 124.813 120.500 0.028 0.000 2.443 1342 R HA 0.343 4.683 4.340 -0.001 0.000 0.287 1342 R C -2.824 173.430 176.300 -0.077 0.000 1.425 1342 R CA -1.823 54.270 56.100 -0.011 0.000 1.300 1342 R CB 0.667 30.947 30.300 -0.033 0.000 1.129 1342 R HN 0.267 nan 8.270 nan 0.000 0.577 1343 P HA -0.196 nan 4.420 nan 0.000 0.216 1343 P C 0.690 177.752 177.300 -0.396 0.000 1.154 1343 P CA 1.847 64.826 63.100 -0.201 0.000 0.865 1343 P CB 0.282 31.862 31.700 -0.200 0.000 0.789 1344 T N -5.241 108.998 114.554 -0.525 0.000 3.040 1344 T HA 0.178 4.528 4.350 -0.001 0.000 0.266 1344 T C 0.786 175.274 174.700 -0.354 0.000 1.005 1344 T CA -0.302 61.448 62.100 -0.583 0.000 0.906 1344 T CB -0.311 67.986 68.868 -0.952 0.000 1.082 1344 T HN -0.027 nan 8.240 nan 0.000 0.531 1345 S N 1.569 117.130 115.700 -0.231 0.000 2.580 1345 S HA 0.066 4.535 4.470 -0.001 0.000 0.261 1345 S C 1.594 176.130 174.600 -0.106 0.000 1.366 1345 S CA 0.126 58.246 58.200 -0.133 0.000 0.996 1345 S CB 0.424 63.575 63.200 -0.081 0.000 0.902 1345 S HN 0.402 nan 8.310 nan 0.000 0.566 1346 T N 1.950 116.464 114.554 -0.067 0.000 2.896 1346 T HA -0.041 4.309 4.350 -0.001 0.000 0.263 1346 T C 1.702 176.372 174.700 -0.050 0.000 1.050 1346 T CA 1.584 63.655 62.100 -0.049 0.000 1.140 1346 T CB -0.603 68.246 68.868 -0.033 0.000 0.877 1346 T HN 0.789 nan 8.240 nan 0.000 0.457 1347 T N 2.284 116.807 114.554 -0.052 0.000 3.148 1347 T HA 0.050 4.400 4.350 -0.001 0.000 0.253 1347 T C 0.885 175.554 174.700 -0.051 0.000 1.134 1347 T CA -0.243 61.826 62.100 -0.052 0.000 1.051 1347 T CB -0.411 68.425 68.868 -0.053 0.000 0.959 1347 T HN 0.561 nan 8.240 nan 0.000 0.525 1348 R N 2.739 123.206 120.500 -0.055 0.000 2.537 1348 R HA 0.080 4.420 4.340 -0.001 0.000 0.281 1348 R C 0.394 176.672 176.300 -0.037 0.000 0.988 1348 R CA 0.607 56.678 56.100 -0.050 0.000 1.077 1348 R CB 0.119 30.380 30.300 -0.064 0.000 0.932 1348 R HN 0.301 nan 8.270 nan 0.000 0.409 1349 N N 1.971 120.652 118.700 -0.031 0.000 2.559 1349 N HA 0.177 4.917 4.740 -0.001 0.000 0.247 1349 N C 0.067 175.572 175.510 -0.009 0.000 1.063 1349 N CA 0.374 53.409 53.050 -0.026 0.000 0.876 1349 N CB 0.500 38.962 38.487 -0.042 0.000 1.608 1349 N HN 0.668 nan 8.380 nan 0.000 0.467 1350 G N -0.553 108.239 108.800 -0.014 0.000 2.684 1350 G HA2 0.516 4.475 3.960 -0.001 0.000 0.290 1350 G HA3 0.516 4.475 3.960 -0.001 0.000 0.290 1350 G C -1.316 173.597 174.900 0.022 0.000 1.425 1350 G CA -0.986 44.114 45.100 -0.000 0.000 0.822 1350 G HN 0.261 nan 8.290 nan 0.000 0.482 1351 F N -0.451 119.481 119.950 -0.030 0.000 2.362 1351 F HA 0.865 5.391 4.527 -0.001 0.000 0.311 1351 F C 0.051 175.823 175.800 -0.046 0.000 1.161 1351 F CA -1.435 56.552 58.000 -0.022 0.000 1.085 1351 F CB 1.286 40.294 39.000 0.014 0.000 1.311 1351 F HN 0.420 nan 8.300 nan 0.000 0.524 1352 M N 2.475 122.170 119.600 0.158 0.000 2.205 1352 M HA 0.314 4.793 4.480 -0.001 0.000 0.344 1352 M C -0.678 175.689 176.300 0.113 0.000 1.085 1352 M CA -0.386 54.914 55.300 0.001 0.000 1.001 1352 M CB 0.865 33.495 32.600 0.050 0.000 1.626 1352 M HN 0.610 nan 8.290 nan 0.000 0.442 1353 E N 2.032 122.189 120.200 -0.072 0.000 2.413 1353 E HA 0.252 4.601 4.350 -0.001 0.000 0.263 1353 E C -0.942 175.688 176.600 0.050 0.000 1.015 1353 E CA 0.266 56.708 56.400 0.070 0.000 0.916 1353 E CB 0.931 30.725 29.700 0.157 0.000 0.947 1353 E HN 0.726 nan 8.360 nan 0.000 0.440 1354 S N 0.982 116.764 115.700 0.137 0.000 2.643 1354 S HA 0.427 4.897 4.470 -0.001 0.000 0.270 1354 S C -1.687 173.018 174.600 0.176 0.000 1.166 1354 S CA -0.709 57.565 58.200 0.122 0.000 0.815 1354 S CB 1.250 64.564 63.200 0.190 0.000 1.139 1354 S HN 0.490 nan 8.310 nan 0.000 0.472 1355 Q N 0.586 120.498 119.800 0.187 0.000 2.544 1355 Q HA 0.832 5.171 4.340 -0.001 0.000 0.291 1355 Q C -0.058 176.013 176.000 0.118 0.000 1.068 1355 Q CA -0.698 55.209 55.803 0.172 0.000 0.785 1355 Q CB 1.441 30.322 28.738 0.239 0.000 1.481 1355 Q HN 1.484 nan 8.270 nan 0.000 0.430 1356 G N -0.591 108.217 108.800 0.013 0.000 2.384 1356 G HA2 0.135 4.094 3.960 -0.001 0.000 0.668 1356 G HA3 0.135 4.094 3.960 -0.001 0.000 0.668 1356 G C -0.465 174.550 174.900 0.191 0.000 1.280 1356 G CA -0.543 44.526 45.100 -0.051 0.000 0.992 1356 G HN 1.577 nan 8.290 nan 0.000 0.512 1357 C N -1.302 118.182 119.300 0.306 0.000 3.235 1357 C HA 1.135 5.595 4.460 -0.001 0.000 0.351 1357 C C 0.610 175.926 174.990 0.544 0.000 1.520 1357 C CA 0.136 59.370 59.018 0.360 0.000 1.474 1357 C CB 1.418 29.394 27.740 0.393 0.000 2.019 1357 C HN 2.683 nan 8.230 nan 0.000 0.446 1358 G N -0.103 108.928 108.800 0.386 0.000 2.731 1358 G HA2 0.643 4.602 3.960 -0.001 0.000 0.298 1358 G HA3 0.643 4.602 3.960 -0.001 0.000 0.298 1358 G C -1.908 173.138 174.900 0.244 0.000 1.424 1358 G CA -0.321 45.015 45.100 0.393 0.000 1.029 1358 G HN 1.154 nan 8.290 nan 0.000 0.518 1359 V N 2.383 122.413 119.914 0.193 0.000 2.841 1359 V HA 0.660 4.779 4.120 -0.001 0.000 0.310 1359 V C -1.050 175.103 176.094 0.098 0.000 1.090 1359 V CA -0.865 61.525 62.300 0.150 0.000 0.930 1359 V CB 2.154 34.074 31.823 0.161 0.000 1.014 1359 V HN 0.881 nan 8.190 nan 0.000 0.425 1360 Q N 3.188 123.038 119.800 0.083 0.000 2.356 1360 Q HA 0.687 5.026 4.340 -0.001 0.000 0.270 1360 Q C -0.798 175.246 176.000 0.072 0.000 1.058 1360 Q CA -0.709 55.125 55.803 0.051 0.000 0.802 1360 Q CB 2.535 31.293 28.738 0.034 0.000 1.303 1360 Q HN 0.596 nan 8.270 nan 0.000 0.444 1361 V N 3.348 123.308 119.914 0.078 0.000 2.567 1361 V HA 0.684 4.803 4.120 -0.001 0.000 0.289 1361 V C -0.277 175.870 176.094 0.089 0.000 1.049 1361 V CA -0.482 61.874 62.300 0.093 0.000 0.969 1361 V CB 0.674 32.580 31.823 0.137 0.000 0.995 1361 V HN 0.800 nan 8.190 nan 0.000 0.471 1362 I N 3.898 124.513 120.570 0.076 0.000 2.730 1362 I HA 0.756 4.925 4.170 -0.001 0.000 0.298 1362 I C -0.673 175.484 176.117 0.067 0.000 1.089 1362 I CA -0.960 60.388 61.300 0.080 0.000 1.041 1362 I CB 2.358 40.410 38.000 0.087 0.000 1.235 1362 I HN 0.672 nan 8.210 nan 0.000 0.423 1363 M N 2.498 122.144 119.600 0.077 0.000 2.664 1363 M HA 0.388 4.867 4.480 -0.001 0.000 0.279 1363 M C -0.472 175.866 176.300 0.063 0.000 1.275 1363 M CA -0.724 54.617 55.300 0.068 0.000 0.829 1363 M CB 2.956 35.610 32.600 0.089 0.000 1.727 1363 M HN 0.818 nan 8.290 nan 0.000 0.459 1364 T N -0.477 114.108 114.554 0.052 0.000 2.919 1364 T HA 0.383 4.732 4.350 -0.001 0.000 0.302 1364 T C 1.045 175.777 174.700 0.054 0.000 1.031 1364 T CA -0.070 62.059 62.100 0.050 0.000 1.127 1364 T CB 1.098 69.989 68.868 0.038 0.000 0.952 1364 T HN 0.719 nan 8.240 nan 0.000 0.540 1365 A N 2.026 124.883 122.820 0.062 0.000 1.917 1365 A HA -0.209 4.110 4.320 -0.001 0.000 0.219 1365 A C 2.384 179.988 177.584 0.034 0.000 1.182 1365 A CA 2.031 54.095 52.037 0.045 0.000 0.633 1365 A CB -1.073 17.971 19.000 0.073 0.000 0.819 1365 A HN 1.021 nan 8.150 nan 0.000 0.448 1366 Q N -0.475 119.353 119.800 0.046 0.000 1.985 1366 Q HA -0.211 4.128 4.340 -0.001 0.000 0.207 1366 Q C 2.074 178.096 176.000 0.037 0.000 0.996 1366 Q CA 1.946 57.776 55.803 0.043 0.000 0.851 1366 Q CB -0.409 28.357 28.738 0.046 0.000 0.921 1366 Q HN 0.590 nan 8.270 nan 0.000 0.418 1367 L N 0.457 121.704 121.223 0.039 0.000 2.127 1367 L HA -0.165 4.175 4.340 -0.001 0.000 0.211 1367 L C 2.313 179.175 176.870 -0.012 0.000 1.089 1367 L CA 1.815 56.670 54.840 0.025 0.000 0.757 1367 L CB -1.076 41.018 42.059 0.058 0.000 0.899 1367 L HN 0.425 nan 8.230 nan 0.000 0.434 1368 A N 0.345 123.178 122.820 0.021 0.000 1.845 1368 A HA -0.215 4.105 4.320 -0.001 0.000 0.215 1368 A C 2.195 179.817 177.584 0.063 0.000 1.195 1368 A CA 1.723 53.781 52.037 0.035 0.000 0.616 1368 A CB -0.766 18.260 19.000 0.044 0.000 0.832 1368 A HN 0.477 nan 8.150 nan 0.000 0.443 1369 L N -0.713 120.532 121.223 0.037 0.000 2.046 1369 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 1369 L C 2.661 179.612 176.870 0.136 0.000 1.077 1369 L CA 1.791 56.671 54.840 0.067 0.000 0.747 1369 L CB -0.527 41.502 42.059 -0.051 0.000 0.896 1369 L HN 0.635 nan 8.230 nan 0.000 0.432 1370 E N 0.397 120.623 120.200 0.043 0.000 2.077 1370 E HA -0.252 4.097 4.350 -0.001 0.000 0.193 1370 E C 2.311 178.849 176.600 -0.104 0.000 0.989 1370 E CA 1.366 57.778 56.400 0.019 0.000 0.800 1370 E CB -0.027 29.691 29.700 0.031 0.000 0.746 1370 E HN 0.441 nan 8.360 nan 0.000 0.452 1371 M N -0.782 118.631 119.600 -0.311 0.000 2.123 1371 M HA 0.015 4.494 4.480 -0.001 0.000 0.263 1371 M C 1.219 177.404 176.300 -0.192 0.000 1.069 1371 M CA 1.336 56.273 55.300 -0.604 0.000 1.133 1371 M CB 0.198 32.422 32.600 -0.626 0.000 1.356 1371 M HN 0.359 nan 8.290 nan 0.000 0.415 1372 G N 1.595 110.384 108.800 -0.018 0.000 2.467 1372 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.242 1372 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.242 1372 G C -0.325 174.545 174.900 -0.049 0.000 1.127 1372 G CA -0.069 45.040 45.100 0.014 0.000 0.924 1372 G HN 0.482 nan 8.290 nan 0.000 0.499 1373 V N -2.565 117.371 119.914 0.038 0.000 2.667 1373 V HA 0.917 5.037 4.120 -0.001 0.000 0.308 1373 V C -1.677 174.407 176.094 -0.015 0.000 1.048 1373 V CA -3.049 59.214 62.300 -0.061 0.000 0.928 1373 V CB 1.814 33.604 31.823 -0.054 0.000 1.004 1373 V HN 0.099 nan 8.190 nan 0.000 0.444 1374 P HA 0.236 nan 4.420 nan 0.000 0.267 1374 P C -0.639 176.626 177.300 -0.058 0.000 1.195 1374 P CA 0.423 63.355 63.100 -0.281 0.000 0.773 1374 P CB 0.251 31.528 31.700 -0.705 0.000 0.837 1375 I N 2.058 122.613 120.570 -0.025 0.000 2.476 1375 I HA 0.176 4.345 4.170 -0.001 0.000 0.281 1375 I C 0.211 176.283 176.117 -0.075 0.000 1.040 1375 I CA -0.414 60.899 61.300 0.021 0.000 1.094 1375 I CB 1.468 39.507 38.000 0.065 0.000 1.219 1375 I HN 0.393 nan 8.210 nan 0.000 0.450 1376 Y N 4.462 124.754 120.300 -0.012 0.000 2.475 1376 Y HA 0.300 4.850 4.550 -0.001 0.000 0.289 1376 Y C 1.508 177.360 175.900 -0.080 0.000 1.121 1376 Y CA 0.479 58.553 58.100 -0.043 0.000 1.257 1376 Y CB 0.617 39.053 38.460 -0.039 0.000 1.026 1376 Y HN 0.641 nan 8.280 nan 0.000 0.555 1377 G N -0.634 108.197 108.800 0.052 0.000 2.328 1377 G HA2 0.380 4.340 3.960 -0.001 0.000 0.295 1377 G HA3 0.380 4.340 3.960 -0.001 0.000 0.295 1377 G C -1.910 172.927 174.900 -0.105 0.000 1.413 1377 G CA -1.051 44.018 45.100 -0.051 0.000 0.817 1377 G HN -0.083 nan 8.290 nan 0.000 0.546 1378 I N 0.914 121.348 120.570 -0.227 0.000 2.339 1378 I HA 0.312 4.481 4.170 -0.001 0.000 0.290 1378 I C 0.276 176.274 176.117 -0.198 0.000 0.994 1378 I CA -1.011 60.141 61.300 -0.248 0.000 1.191 1378 I CB 1.910 39.586 38.000 -0.541 0.000 1.343 1378 I HN 0.170 nan 8.210 nan 0.000 0.458 1379 V N 6.754 126.628 119.914 -0.066 0.000 2.390 1379 V HA 0.030 4.150 4.120 -0.001 0.000 0.260 1379 V C 1.302 177.357 176.094 -0.065 0.000 1.043 1379 V CA 0.331 62.578 62.300 -0.090 0.000 1.047 1379 V CB 0.331 32.143 31.823 -0.018 0.000 1.066 1379 V HN 1.003 nan 8.190 nan 0.000 0.481 1380 A N 5.291 128.014 122.820 -0.161 0.000 1.970 1380 A HA 0.314 4.633 4.320 -0.001 0.000 0.216 1380 A C 0.830 178.388 177.584 -0.044 0.000 1.170 1380 A CA 0.975 52.993 52.037 -0.032 0.000 0.645 1380 A CB 0.134 19.048 19.000 -0.143 0.000 0.816 1380 A HN 0.763 nan 8.150 nan 0.000 0.447 1381 M N -0.953 118.500 119.600 -0.245 0.000 2.562 1381 M HA 0.458 4.937 4.480 -0.001 0.000 0.281 1381 M C -1.885 174.172 176.300 -0.406 0.000 1.195 1381 M CA -0.134 54.992 55.300 -0.290 0.000 0.888 1381 M CB 1.957 34.422 32.600 -0.225 0.000 1.731 1381 M HN 0.237 nan 8.290 nan 0.000 0.493 1382 T N -0.075 114.232 114.554 -0.412 0.000 2.868 1382 T HA 0.937 5.287 4.350 -0.001 0.000 0.306 1382 T C -1.068 173.544 174.700 -0.148 0.000 1.224 1382 T CA -0.210 61.716 62.100 -0.290 0.000 1.012 1382 T CB 1.758 70.428 68.868 -0.331 0.000 1.221 1382 T HN 1.188 nan 8.240 nan 0.000 0.499 1383 S N -0.110 115.519 115.700 -0.118 0.000 2.586 1383 S HA 0.711 5.181 4.470 -0.001 0.000 0.277 1383 S C -0.760 173.782 174.600 -0.097 0.000 1.131 1383 S CA -0.858 57.297 58.200 -0.074 0.000 0.848 1383 S CB 1.104 64.269 63.200 -0.059 0.000 1.091 1383 S HN 1.509 nan 8.310 nan 0.000 0.453 1384 T N -1.293 113.218 114.554 -0.073 0.000 2.885 1384 T HA 0.919 5.268 4.350 -0.001 0.000 0.285 1384 T C -0.362 174.292 174.700 -0.077 0.000 1.019 1384 T CA -0.644 61.403 62.100 -0.089 0.000 1.010 1384 T CB 1.580 70.410 68.868 -0.063 0.000 1.022 1384 T HN 1.867 nan 8.240 nan 0.000 0.466 1385 A N 2.056 124.820 122.820 -0.093 0.000 2.437 1385 A HA 0.710 5.030 4.320 -0.001 0.000 0.293 1385 A C -0.003 177.552 177.584 -0.050 0.000 1.038 1385 A CA -0.951 51.044 52.037 -0.069 0.000 0.708 1385 A CB 1.207 20.158 19.000 -0.082 0.000 1.251 1385 A HN 0.913 nan 8.150 nan 0.000 0.409 1386 T N 1.691 116.229 114.554 -0.026 0.000 2.922 1386 T HA 0.526 4.876 4.350 -0.001 0.000 0.285 1386 T C -0.190 174.510 174.700 -0.001 0.000 1.005 1386 T CA -0.562 61.532 62.100 -0.009 0.000 1.061 1386 T CB 0.904 69.770 68.868 -0.004 0.000 1.007 1386 T HN 0.648 nan 8.240 nan 0.000 0.502 1387 D N 0.487 120.893 120.400 0.010 0.000 2.511 1387 D HA 0.275 4.914 4.640 -0.001 0.000 0.283 1387 D C 0.751 177.056 176.300 0.008 0.000 1.198 1387 D CA -0.679 53.329 54.000 0.014 0.000 1.097 1387 D CB 0.495 41.310 40.800 0.025 0.000 1.160 1387 D HN 0.598 nan 8.370 nan 0.000 0.589 1388 K N -0.209 120.196 120.400 0.008 0.000 2.440 1388 K HA 0.345 4.664 4.320 -0.001 0.000 0.252 1388 K C 0.273 176.877 176.600 0.007 0.000 1.044 1388 K CA -0.626 55.664 56.287 0.005 0.000 0.962 1388 K CB 0.221 32.723 32.500 0.004 0.000 1.269 1388 K HN 0.253 nan 8.250 nan 0.000 0.505 1389 I N 0.667 121.240 120.570 0.006 0.000 2.588 1389 I HA 0.168 4.338 4.170 -0.001 0.000 0.283 1389 I C 0.599 176.720 176.117 0.007 0.000 1.119 1389 I CA 0.579 61.883 61.300 0.007 0.000 1.419 1389 I CB 0.862 38.866 38.000 0.006 0.000 1.394 1389 I HN 0.881 nan 8.210 nan 0.000 0.562 1390 G N 5.263 114.069 108.800 0.009 0.000 2.706 1390 G HA2 0.480 4.439 3.960 -0.001 0.000 0.307 1390 G HA3 0.480 4.439 3.960 -0.001 0.000 0.307 1390 G C -0.114 174.793 174.900 0.011 0.000 1.307 1390 G CA -0.441 44.665 45.100 0.009 0.000 0.790 1390 G HN 0.409 nan 8.290 nan 0.000 0.503 1391 R N -0.740 119.767 120.500 0.012 0.000 2.556 1391 R HA 0.253 4.593 4.340 -0.001 0.000 0.276 1391 R C 0.791 177.104 176.300 0.021 0.000 0.931 1391 R CA -0.077 56.032 56.100 0.016 0.000 1.061 1391 R CB 0.606 30.914 30.300 0.014 0.000 1.432 1391 R HN 0.408 nan 8.270 nan 0.000 0.547 1392 S N 1.604 117.314 115.700 0.016 0.000 2.400 1392 S HA 0.167 4.636 4.470 -0.001 0.000 0.295 1392 S C 1.483 176.094 174.600 0.018 0.000 1.113 1392 S CA -0.314 57.896 58.200 0.018 0.000 1.064 1392 S CB 0.590 63.793 63.200 0.006 0.000 0.990 1392 S HN -0.052 nan 8.310 nan 0.000 0.502 1393 V N 7.766 127.705 119.914 0.042 0.000 2.343 1393 V HA -0.049 4.070 4.120 -0.001 0.000 0.247 1393 V C -0.863 175.247 176.094 0.026 0.000 1.051 1393 V CA 1.527 63.864 62.300 0.062 0.000 1.036 1393 V CB -1.292 30.598 31.823 0.112 0.000 0.654 1393 V HN 0.661 nan 8.190 nan 0.000 0.451 1394 P HA 0.108 nan 4.420 nan 0.000 0.236 1394 P C 0.408 177.523 177.300 -0.308 0.000 1.177 1394 P CA 0.682 63.584 63.100 -0.329 0.000 0.773 1394 P CB -0.078 31.474 31.700 -0.247 0.000 0.878 1395 A N 1.497 124.236 122.820 -0.135 0.000 2.531 1395 A HA 0.339 4.658 4.320 -0.001 0.000 0.236 1395 A C -2.164 175.363 177.584 -0.094 0.000 1.062 1395 A CA -0.600 51.376 52.037 -0.102 0.000 0.760 1395 A CB -0.954 18.017 19.000 -0.049 0.000 0.995 1395 A HN 0.058 nan 8.150 nan 0.000 0.501 1396 P HA 0.538 nan 4.420 nan 0.000 0.294 1396 P C 0.121 177.392 177.300 -0.048 0.000 1.294 1396 P CA -0.022 63.026 63.100 -0.086 0.000 0.827 1396 P CB 1.756 33.319 31.700 -0.228 0.000 0.992 1397 G N 1.353 110.177 108.800 0.039 0.000 3.108 1397 G HA2 0.366 4.326 3.960 -0.001 0.000 0.268 1397 G HA3 0.366 4.326 3.960 -0.001 0.000 0.268 1397 G C -0.669 174.296 174.900 0.109 0.000 1.361 1397 G CA -0.588 44.539 45.100 0.046 0.000 1.047 1397 G HN 0.418 nan 8.290 nan 0.000 0.540 1398 Q N 0.065 119.910 119.800 0.075 0.000 2.241 1398 Q HA 0.212 4.551 4.340 -0.001 0.000 0.296 1398 Q C 1.635 177.667 176.000 0.053 0.000 0.889 1398 Q CA -0.085 55.769 55.803 0.086 0.000 1.089 1398 Q CB 1.188 29.952 28.738 0.044 0.000 1.195 1398 Q HN 0.652 nan 8.270 nan 0.000 0.451 1399 G N 0.507 109.338 108.800 0.051 0.000 2.422 1399 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.218 1399 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.218 1399 G C 1.344 176.230 174.900 -0.023 0.000 1.146 1399 G CA 0.686 45.788 45.100 0.004 0.000 0.769 1399 G HN 0.306 nan 8.290 nan 0.000 0.547 1400 V N 1.014 120.911 119.914 -0.028 0.000 2.867 1400 V HA -0.054 4.065 4.120 -0.001 0.000 0.260 1400 V C 2.577 178.635 176.094 -0.060 0.000 1.099 1400 V CA 0.773 63.019 62.300 -0.089 0.000 1.122 1400 V CB -0.468 31.244 31.823 -0.183 0.000 0.708 1400 V HN 0.355 nan 8.190 nan 0.000 0.490 1401 L N 1.426 122.634 121.223 -0.026 0.000 2.131 1401 L HA -0.144 4.195 4.340 -0.001 0.000 0.210 1401 L C 2.505 179.334 176.870 -0.069 0.000 1.092 1401 L CA 2.190 57.004 54.840 -0.042 0.000 0.759 1401 L CB -0.481 41.557 42.059 -0.034 0.000 0.903 1401 L HN 0.661 nan 8.230 nan 0.000 0.435 1402 T N -4.726 109.791 114.554 -0.063 0.000 3.361 1402 T HA -0.053 4.296 4.350 -0.001 0.000 0.251 1402 T C 1.249 175.916 174.700 -0.055 0.000 1.131 1402 T CA 0.651 62.713 62.100 -0.063 0.000 1.001 1402 T CB -0.764 68.077 68.868 -0.046 0.000 1.003 1402 T HN 0.465 nan 8.240 nan 0.000 0.558 1403 T N -2.450 112.063 114.554 -0.068 0.000 3.163 1403 T HA 0.621 4.970 4.350 -0.001 0.000 0.252 1403 T C 1.170 175.823 174.700 -0.077 0.000 1.056 1403 T CA -0.019 62.037 62.100 -0.073 0.000 0.947 1403 T CB 0.029 68.838 68.868 -0.099 0.000 1.016 1403 T HN 0.433 nan 8.240 nan 0.000 0.554 1404 A N 1.739 124.524 122.820 -0.059 0.000 2.624 1404 A HA 0.393 4.713 4.320 -0.001 0.000 0.287 1404 A C 0.782 178.377 177.584 0.019 0.000 1.087 1404 A CA -0.869 51.156 52.037 -0.020 0.000 0.964 1404 A CB 0.042 19.034 19.000 -0.013 0.000 1.231 1404 A HN 0.628 nan 8.150 nan 0.000 0.551 1405 R N 0.856 121.343 120.500 -0.021 0.000 2.491 1405 R HA 0.519 4.858 4.340 -0.001 0.000 0.283 1405 R C -0.352 176.000 176.300 0.088 0.000 1.072 1405 R CA 0.180 56.275 56.100 -0.008 0.000 1.048 1405 R CB 0.483 30.768 30.300 -0.025 0.000 0.983 1405 R HN 0.326 nan 8.270 nan 0.000 0.450 1406 E N 2.396 122.698 120.200 0.171 0.000 2.537 1406 E HA 0.112 4.461 4.350 -0.001 0.000 0.301 1406 E C -1.865 174.824 176.600 0.148 0.000 0.990 1406 E CA -0.750 55.739 56.400 0.148 0.000 0.828 1406 E CB 1.659 31.435 29.700 0.127 0.000 1.243 1406 E HN 0.678 nan 8.360 nan 0.000 0.414 1407 K N 2.619 123.070 120.400 0.085 0.000 2.367 1407 K HA 0.327 4.646 4.320 -0.001 0.000 0.263 1407 K C -1.196 175.426 176.600 0.038 0.000 1.000 1407 K CA -0.415 55.910 56.287 0.063 0.000 0.891 1407 K CB 1.690 34.220 32.500 0.051 0.000 1.117 1407 K HN 0.334 nan 8.250 nan 0.000 0.443 1408 S N 2.590 118.298 115.700 0.013 0.000 2.422 1408 S HA 0.390 4.859 4.470 -0.001 0.000 0.298 1408 S C 0.239 174.835 174.600 -0.007 0.000 1.118 1408 S CA -0.626 57.573 58.200 -0.001 0.000 1.083 1408 S CB 0.739 63.918 63.200 -0.035 0.000 0.971 1408 S HN 0.780 nan 8.310 nan 0.000 0.478 1409 G N 3.467 112.274 108.800 0.012 0.000 2.684 1409 G HA2 0.038 3.998 3.960 -0.001 0.000 0.255 1409 G HA3 0.038 3.998 3.960 -0.001 0.000 0.255 1409 G C 0.972 175.842 174.900 -0.049 0.000 1.219 1409 G CA -0.516 44.589 45.100 0.008 0.000 0.901 1409 G HN 0.810 nan 8.290 nan 0.000 0.548 1410 N N -0.832 117.799 118.700 -0.115 0.000 2.192 1410 N HA -0.110 4.629 4.740 -0.001 0.000 0.188 1410 N C -0.069 175.109 175.510 -0.553 0.000 1.013 1410 N CA 1.150 53.979 53.050 -0.368 0.000 0.863 1410 N CB -0.149 38.026 38.487 -0.520 0.000 0.990 1410 N HN 0.357 nan 8.380 nan 0.000 0.430 1411 F N 0.456 120.399 119.950 -0.012 0.000 2.520 1411 F HA 0.420 4.946 4.527 -0.001 0.000 0.322 1411 F C -1.991 173.796 175.800 -0.021 0.000 1.103 1411 F CA -2.515 55.475 58.000 -0.018 0.000 0.926 1411 F CB 1.075 40.062 39.000 -0.022 0.000 1.154 1411 F HN -0.268 nan 8.300 nan 0.000 0.453 1412 P HA 0.009 nan 4.420 nan 0.000 0.265 1412 P C -0.235 177.097 177.300 0.052 0.000 1.193 1412 P CA -0.111 63.035 63.100 0.077 0.000 0.765 1412 P CB 0.679 32.415 31.700 0.059 0.000 0.823 1413 S N 4.434 120.155 115.700 0.035 0.000 2.573 1413 S HA 0.004 4.474 4.470 -0.001 0.000 0.297 1413 S C -1.146 173.394 174.600 -0.100 0.000 1.280 1413 S CA -0.774 57.420 58.200 -0.010 0.000 1.061 1413 S CB -0.261 62.967 63.200 0.047 0.000 0.812 1413 S HN 0.262 nan 8.310 nan 0.000 0.500 1414 P HA -0.159 nan 4.420 nan 0.000 0.218 1414 P C 1.316 178.357 177.300 -0.432 0.000 1.154 1414 P CA 1.383 64.137 63.100 -0.576 0.000 0.872 1414 P CB -0.030 30.893 31.700 -1.296 0.000 0.790 1415 L N -1.875 119.200 121.223 -0.247 0.000 2.191 1415 L HA -0.146 4.194 4.340 -0.001 0.000 0.212 1415 L C 2.409 179.174 176.870 -0.176 0.000 1.103 1415 L CA 0.967 55.747 54.840 -0.100 0.000 0.769 1415 L CB -0.904 41.195 42.059 0.066 0.000 0.908 1415 L HN -0.042 nan 8.230 nan 0.000 0.438 1416 L N -0.601 120.612 121.223 -0.017 0.000 2.127 1416 L HA -0.164 4.176 4.340 -0.001 0.000 0.211 1416 L C 0.869 177.737 176.870 -0.004 0.000 1.089 1416 L CA 0.541 55.409 54.840 0.046 0.000 0.757 1416 L CB -0.615 41.490 42.059 0.077 0.000 0.899 1416 L HN 0.267 nan 8.230 nan 0.000 0.434 1417 D N 0.459 120.844 120.400 -0.025 0.000 2.339 1417 D HA 0.028 4.667 4.640 -0.001 0.000 0.256 1417 D C 1.105 177.408 176.300 0.004 0.000 1.214 1417 D CA 0.164 54.165 54.000 0.001 0.000 0.877 1417 D CB 0.834 41.639 40.800 0.008 0.000 1.111 1417 D HN 0.043 nan 8.370 nan 0.000 0.478 1418 I N 3.545 124.112 120.570 -0.004 0.000 2.454 1418 I HA -0.238 3.932 4.170 -0.001 0.000 0.254 1418 I C 1.619 177.722 176.117 -0.024 0.000 1.156 1418 I CA 0.965 62.249 61.300 -0.026 0.000 1.433 1418 I CB 0.181 38.178 38.000 -0.005 0.000 1.082 1418 I HN 0.458 nan 8.210 nan 0.000 0.432 1419 K N -0.285 120.115 120.400 0.000 0.000 2.103 1419 K HA -0.230 4.089 4.320 -0.001 0.000 0.204 1419 K C 2.059 178.646 176.600 -0.023 0.000 1.052 1419 K CA 1.427 57.705 56.287 -0.016 0.000 0.945 1419 K CB -0.458 32.041 32.500 -0.002 0.000 0.722 1419 K HN 0.298 nan 8.250 nan 0.000 0.443 1420 Y N 2.302 122.542 120.300 -0.101 0.000 2.128 1420 Y HA -0.231 4.319 4.550 -0.001 0.000 0.284 1420 Y C 2.027 177.819 175.900 -0.180 0.000 1.154 1420 Y CA 1.510 59.540 58.100 -0.116 0.000 1.149 1420 Y CB 0.032 38.441 38.460 -0.086 0.000 0.976 1420 Y HN -0.103 nan 8.280 nan 0.000 0.505 1421 R N -0.207 120.236 120.500 -0.094 0.000 2.115 1421 R HA -0.126 4.214 4.340 -0.001 0.000 0.230 1421 R C 2.431 178.521 176.300 -0.351 0.000 1.111 1421 R CA 0.952 56.907 56.100 -0.241 0.000 0.976 1421 R CB -0.235 30.005 30.300 -0.100 0.000 0.870 1421 R HN 0.285 nan 8.270 nan 0.000 0.445 1422 R N 0.958 121.323 120.500 -0.225 0.000 2.082 1422 R HA -0.107 4.233 4.340 -0.001 0.000 0.234 1422 R C 2.224 178.360 176.300 -0.273 0.000 1.136 1422 R CA 1.516 57.498 56.100 -0.196 0.000 0.935 1422 R CB -0.398 29.831 30.300 -0.118 0.000 0.842 1422 R HN 0.232 nan 8.270 nan 0.000 0.430 1423 R N 0.344 120.668 120.500 -0.294 0.000 2.122 1423 R HA -0.191 4.149 4.340 -0.001 0.000 0.236 1423 R C 2.334 178.377 176.300 -0.428 0.000 1.129 1423 R CA 1.879 57.793 56.100 -0.311 0.000 0.925 1423 R CB -0.373 29.736 30.300 -0.317 0.000 0.850 1423 R HN 0.318 nan 8.270 nan 0.000 0.431 1424 Q N 0.412 119.800 119.800 -0.687 0.000 2.152 1424 Q HA -0.204 4.135 4.340 -0.001 0.000 0.206 1424 Q C 2.200 177.665 176.000 -0.891 0.000 0.985 1424 Q CA 1.252 56.511 55.803 -0.906 0.000 0.863 1424 Q CB -0.385 27.471 28.738 -1.470 0.000 0.904 1424 Q HN 0.273 nan 8.270 nan 0.000 0.422 1425 L N 1.040 121.787 121.223 -0.794 0.000 1.988 1425 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 1425 L C 1.987 178.724 176.870 -0.222 0.000 1.071 1425 L CA 1.871 56.457 54.840 -0.424 0.000 0.744 1425 L CB -0.397 41.517 42.059 -0.243 0.000 0.893 1425 L HN 0.062 nan 8.230 nan 0.000 0.433 1426 E N -0.456 119.626 120.200 -0.195 0.000 2.268 1426 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 1426 E C 2.086 178.617 176.600 -0.114 0.000 0.995 1426 E CA 0.682 57.011 56.400 -0.119 0.000 0.836 1426 E CB -0.206 29.434 29.700 -0.099 0.000 0.763 1426 E HN 0.436 nan 8.360 nan 0.000 0.491 1427 L N 1.014 122.137 121.223 -0.167 0.000 1.989 1427 L HA -0.188 4.151 4.340 -0.001 0.000 0.211 1427 L C 1.910 178.726 176.870 -0.089 0.000 1.071 1427 L CA 1.852 56.610 54.840 -0.137 0.000 0.749 1427 L CB -0.380 41.563 42.059 -0.194 0.000 0.890 1427 L HN 0.125 nan 8.230 nan 0.000 0.431 1428 R N -0.118 120.322 120.500 -0.099 0.000 2.237 1428 R HA -0.080 4.259 4.340 -0.001 0.000 0.219 1428 R C 2.203 178.491 176.300 -0.020 0.000 1.080 1428 R CA 0.569 56.649 56.100 -0.033 0.000 0.995 1428 R CB -0.254 30.058 30.300 0.020 0.000 0.875 1428 R HN 0.511 nan 8.270 nan 0.000 0.462 1429 R N -0.024 120.457 120.500 -0.032 0.000 2.073 1429 R HA -0.055 4.284 4.340 -0.001 0.000 0.229 1429 R C 2.220 178.526 176.300 0.009 0.000 1.120 1429 R CA 0.862 56.955 56.100 -0.011 0.000 0.967 1429 R CB 0.045 30.334 30.300 -0.019 0.000 0.862 1429 R HN 0.148 nan 8.270 nan 0.000 0.436 1430 Q N 0.720 120.519 119.800 -0.001 0.000 1.965 1430 Q HA -0.215 4.125 4.340 -0.001 0.000 0.200 1430 Q C 2.013 178.038 176.000 0.041 0.000 0.981 1430 Q CA 1.462 57.275 55.803 0.016 0.000 0.834 1430 Q CB -0.335 28.402 28.738 -0.001 0.000 0.900 1430 Q HN 0.365 nan 8.270 nan 0.000 0.426 1431 Q N -0.015 119.802 119.800 0.029 0.000 2.242 1431 Q HA -0.196 4.143 4.340 -0.001 0.000 0.211 1431 Q C 1.974 178.029 176.000 0.092 0.000 0.992 1431 Q CA 1.256 57.090 55.803 0.051 0.000 0.889 1431 Q CB -0.102 28.651 28.738 0.025 0.000 0.913 1431 Q HN 0.371 nan 8.270 nan 0.000 0.422 1432 I N -0.549 120.064 120.570 0.070 0.000 2.494 1432 I HA -0.192 3.977 4.170 -0.001 0.000 0.250 1432 I C 2.361 178.597 176.117 0.197 0.000 1.112 1432 I CA 0.626 61.981 61.300 0.091 0.000 1.438 1432 I CB -0.147 37.855 38.000 0.004 0.000 1.111 1432 I HN 0.125 nan 8.210 nan 0.000 0.431 1433 K N 1.133 121.616 120.400 0.138 0.000 2.113 1433 K HA -0.275 4.044 4.320 -0.001 0.000 0.208 1433 K C 2.128 178.830 176.600 0.169 0.000 1.047 1433 K CA 1.989 58.363 56.287 0.145 0.000 0.928 1433 K CB -0.035 32.516 32.500 0.086 0.000 0.716 1433 K HN 0.485 nan 8.250 nan 0.000 0.446 1434 Q N -1.093 118.802 119.800 0.159 0.000 2.187 1434 Q HA -0.173 4.167 4.340 -0.001 0.000 0.199 1434 Q C 2.040 178.144 176.000 0.175 0.000 0.957 1434 Q CA 0.991 56.875 55.803 0.135 0.000 0.857 1434 Q CB -0.699 28.098 28.738 0.099 0.000 0.929 1434 Q HN 0.502 nan 8.270 nan 0.000 0.453 1435 W N 2.607 123.933 121.300 0.043 0.000 2.338 1435 W HA -0.184 4.476 4.660 -0.001 0.000 0.304 1435 W C 2.201 178.762 176.519 0.070 0.000 1.212 1435 W CA 2.061 59.432 57.345 0.043 0.000 1.264 1435 W CB 0.068 29.542 29.460 0.024 0.000 1.142 1435 W HN 0.086 nan 8.180 nan 0.000 0.512 1436 K N 0.379 121.036 120.400 0.429 0.000 2.020 1436 K HA -0.279 4.040 4.320 -0.001 0.000 0.212 1436 K C 1.920 178.625 176.600 0.175 0.000 1.050 1436 K CA 2.364 58.841 56.287 0.316 0.000 0.929 1436 K CB -0.402 32.336 32.500 0.397 0.000 0.714 1436 K HN 0.255 nan 8.250 nan 0.000 0.443 1437 E N -0.018 120.284 120.200 0.169 0.000 2.017 1437 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 1437 E C 2.057 178.693 176.600 0.061 0.000 0.997 1437 E CA 1.407 57.896 56.400 0.148 0.000 0.804 1437 E CB -0.229 29.501 29.700 0.050 0.000 0.757 1437 E HN 0.291 nan 8.360 nan 0.000 0.448 1438 S N 0.742 116.414 115.700 -0.046 0.000 2.413 1438 S HA -0.297 4.172 4.470 -0.001 0.000 0.237 1438 S C 1.974 176.456 174.600 -0.197 0.000 1.044 1438 S CA 1.961 60.098 58.200 -0.105 0.000 1.024 1438 S CB -0.146 62.982 63.200 -0.121 0.000 0.829 1438 S HN 0.192 nan 8.310 nan 0.000 0.475 1439 E N -0.598 119.342 120.200 -0.434 0.000 2.158 1439 E HA 0.023 4.372 4.350 -0.001 0.000 0.191 1439 E C 1.546 177.993 176.600 -0.254 0.000 0.982 1439 E CA 0.991 57.073 56.400 -0.529 0.000 0.823 1439 E CB -0.451 28.572 29.700 -1.129 0.000 0.766 1439 E HN 0.771 nan 8.360 nan 0.000 0.468 1440 Y N -0.056 120.142 120.300 -0.170 0.000 2.224 1440 Y HA -0.163 4.387 4.550 -0.001 0.000 0.289 1440 Y C 2.068 177.943 175.900 -0.041 0.000 1.146 1440 Y CA 1.320 59.377 58.100 -0.072 0.000 1.182 1440 Y CB -0.231 38.198 38.460 -0.051 0.000 0.983 1440 Y HN 0.160 nan 8.280 nan 0.000 0.524 1441 L N -1.001 120.285 121.223 0.105 0.000 1.961 1441 L HA -0.270 4.069 4.340 -0.001 0.000 0.210 1441 L C 2.248 179.138 176.870 0.034 0.000 1.072 1441 L CA 1.847 56.717 54.840 0.049 0.000 0.749 1441 L CB -1.020 41.054 42.059 0.025 0.000 0.889 1441 L HN 0.268 nan 8.230 nan 0.000 0.432 1442 Y N -0.553 119.697 120.300 -0.084 0.000 2.151 1442 Y HA -0.310 4.240 4.550 -0.001 0.000 0.284 1442 Y C 2.260 178.115 175.900 -0.074 0.000 1.166 1442 Y CA 2.051 60.100 58.100 -0.086 0.000 1.163 1442 Y CB -0.028 38.361 38.460 -0.119 0.000 0.974 1442 Y HN 0.326 nan 8.280 nan 0.000 0.511 1443 L N 0.030 121.338 121.223 0.140 0.000 2.554 1443 L HA -0.055 4.284 4.340 -0.001 0.000 0.226 1443 L C 2.004 178.902 176.870 0.046 0.000 1.137 1443 L CA 0.945 55.840 54.840 0.092 0.000 0.863 1443 L CB -0.272 41.791 42.059 0.007 0.000 0.985 1443 L HN 0.239 nan 8.230 nan 0.000 0.451 1444 Q N -0.171 119.644 119.800 0.024 0.000 2.089 1444 Q HA -0.115 4.224 4.340 -0.001 0.000 0.195 1444 Q C 1.932 177.901 176.000 -0.052 0.000 0.963 1444 Q CA 1.653 57.459 55.803 0.006 0.000 0.834 1444 Q CB 0.007 28.760 28.738 0.025 0.000 0.906 1444 Q HN 0.563 nan 8.270 nan 0.000 0.452 1445 E N 0.443 120.587 120.200 -0.094 0.000 2.051 1445 E HA -0.238 4.111 4.350 -0.001 0.000 0.192 1445 E C 1.818 178.320 176.600 -0.163 0.000 0.991 1445 E CA 1.261 57.574 56.400 -0.145 0.000 0.799 1445 E CB -0.197 29.373 29.700 -0.217 0.000 0.748 1445 E HN 0.546 nan 8.360 nan 0.000 0.449 1446 E N 1.239 121.336 120.200 -0.172 0.000 2.204 1446 E HA -0.168 4.182 4.350 -0.001 0.000 0.195 1446 E C 2.057 178.545 176.600 -0.187 0.000 0.990 1446 E CA 0.794 57.103 56.400 -0.152 0.000 0.821 1446 E CB 0.174 29.843 29.700 -0.051 0.000 0.750 1446 E HN 0.048 nan 8.360 nan 0.000 0.477 1447 V N 1.488 121.306 119.914 -0.161 0.000 2.223 1447 V HA -0.279 3.841 4.120 -0.001 0.000 0.244 1447 V C 2.567 178.515 176.094 -0.243 0.000 1.045 1447 V CA 2.067 64.225 62.300 -0.238 0.000 1.000 1447 V CB -0.945 30.803 31.823 -0.125 0.000 0.635 1447 V HN 0.478 nan 8.190 nan 0.000 0.445 1448 A N -0.228 122.498 122.820 -0.157 0.000 1.972 1448 A HA -0.087 4.232 4.320 -0.001 0.000 0.219 1448 A C 2.330 179.829 177.584 -0.141 0.000 1.169 1448 A CA 1.962 53.920 52.037 -0.131 0.000 0.635 1448 A CB -0.728 18.216 19.000 -0.093 0.000 0.810 1448 A HN 0.618 nan 8.150 nan 0.000 0.446 1449 A N -0.327 122.399 122.820 -0.156 0.000 2.067 1449 A HA 0.030 4.350 4.320 -0.001 0.000 0.219 1449 A C 1.882 179.373 177.584 -0.155 0.000 1.158 1449 A CA 1.376 53.328 52.037 -0.143 0.000 0.661 1449 A CB -0.503 18.408 19.000 -0.148 0.000 0.801 1449 A HN 0.529 nan 8.150 nan 0.000 0.452 1450 I N -1.205 119.227 120.570 -0.230 0.000 3.603 1450 I HA -0.069 4.101 4.170 -0.001 0.000 0.297 1450 I C 1.903 177.891 176.117 -0.215 0.000 1.269 1450 I CA 0.404 61.542 61.300 -0.270 0.000 1.361 1450 I CB -0.020 37.670 38.000 -0.516 0.000 1.063 1450 I HN 0.207 nan 8.210 nan 0.000 0.448 1451 K N 1.117 121.406 120.400 -0.185 0.000 2.103 1451 K HA -0.063 4.257 4.320 -0.001 0.000 0.204 1451 K C 2.081 178.649 176.600 -0.053 0.000 1.052 1451 K CA 1.701 57.929 56.287 -0.097 0.000 0.945 1451 K CB -0.195 32.251 32.500 -0.089 0.000 0.722 1451 K HN 0.317 nan 8.250 nan 0.000 0.443 1452 S N 0.922 116.584 115.700 -0.063 0.000 2.562 1452 S HA -0.039 4.430 4.470 -0.001 0.000 0.221 1452 S C 1.263 175.844 174.600 -0.032 0.000 0.975 1452 S CA 0.296 58.470 58.200 -0.043 0.000 0.918 1452 S CB -0.018 63.154 63.200 -0.047 0.000 0.772 1452 S HN 0.279 nan 8.310 nan 0.000 0.531 1453 Q N 0.531 120.311 119.800 -0.033 0.000 2.189 1453 Q HA 0.312 4.652 4.340 -0.001 0.000 0.221 1453 Q C 0.088 176.095 176.000 0.011 0.000 0.848 1453 Q CA -0.179 55.615 55.803 -0.015 0.000 1.007 1453 Q CB 0.438 29.162 28.738 -0.023 0.000 1.116 1453 Q HN 0.332 nan 8.270 nan 0.000 0.481 1454 R N 0.917 121.428 120.500 0.017 0.000 2.198 1454 R HA 0.342 4.682 4.340 -0.001 0.000 0.339 1454 R C -0.651 175.665 176.300 0.027 0.000 1.020 1454 R CA -0.022 56.105 56.100 0.045 0.000 0.864 1454 R CB 0.896 31.236 30.300 0.066 0.000 1.105 1454 R HN 0.063 nan 8.270 nan 0.000 0.463 1455 S N 2.355 118.070 115.700 0.025 0.000 2.614 1455 S HA 0.026 4.495 4.470 -0.001 0.000 0.265 1455 S C 0.636 175.243 174.600 0.012 0.000 1.303 1455 S CA -0.522 57.687 58.200 0.014 0.000 1.000 1455 S CB 1.136 64.342 63.200 0.010 0.000 0.935 1455 S HN 0.587 nan 8.310 nan 0.000 0.551 1456 E N 0.666 120.870 120.200 0.006 0.000 2.442 1456 E HA -0.025 4.325 4.350 -0.001 0.000 0.195 1456 E C 1.258 177.856 176.600 -0.003 0.000 1.030 1456 E CA 0.366 56.768 56.400 0.002 0.000 0.869 1456 E CB -0.001 29.699 29.700 0.001 0.000 0.857 1456 E HN 0.721 nan 8.360 nan 0.000 0.505 1457 E N 0.424 120.622 120.200 -0.003 0.000 2.442 1457 E HA 0.027 4.376 4.350 -0.001 0.000 0.195 1457 E C -0.130 176.463 176.600 -0.013 0.000 1.030 1457 E CA 0.158 56.554 56.400 -0.008 0.000 0.869 1457 E CB 0.153 29.849 29.700 -0.005 0.000 0.857 1457 E HN 0.063 nan 8.360 nan 0.000 0.505 1458 D N 1.552 121.946 120.400 -0.010 0.000 2.255 1458 D HA 0.235 4.874 4.640 -0.001 0.000 0.249 1458 D C 0.340 176.613 176.300 -0.045 0.000 1.078 1458 D CA -0.162 53.825 54.000 -0.022 0.000 0.896 1458 D CB 1.218 42.019 40.800 0.003 0.000 1.194 1458 D HN 0.157 nan 8.370 nan 0.000 0.429 1459 G N 1.672 110.419 108.800 -0.088 0.000 2.398 1459 G HA2 0.329 4.288 3.960 -0.001 0.000 0.246 1459 G HA3 0.329 4.288 3.960 -0.001 0.000 0.246 1459 G C -2.073 172.725 174.900 -0.169 0.000 1.289 1459 G CA -0.698 44.329 45.100 -0.122 0.000 0.869 1459 G HN 0.249 nan 8.290 nan 0.000 0.543 1460 P HA 0.108 nan 4.420 nan 0.000 0.268 1460 P C -0.593 176.632 177.300 -0.125 0.000 1.208 1460 P CA 0.060 63.129 63.100 -0.051 0.000 0.777 1460 P CB 0.406 32.097 31.700 -0.015 0.000 0.875 1461 F N 1.210 121.146 119.950 -0.024 0.000 2.410 1461 F HA 0.131 4.657 4.527 -0.001 0.000 0.349 1461 F C 0.694 176.495 175.800 0.001 0.000 1.117 1461 F CA -0.284 57.703 58.000 -0.023 0.000 1.104 1461 F CB 0.669 39.615 39.000 -0.091 0.000 1.122 1461 F HN 0.178 nan 8.300 nan 0.000 0.483 1462 D N 4.655 125.169 120.400 0.190 0.000 2.383 1462 D HA 0.018 4.657 4.640 -0.001 0.000 0.245 1462 D C 1.060 177.486 176.300 0.210 0.000 1.263 1462 D CA 0.239 54.331 54.000 0.154 0.000 0.936 1462 D CB 0.511 41.378 40.800 0.112 0.000 1.053 1462 D HN 0.667 nan 8.370 nan 0.000 0.507 1463 E N 0.858 121.153 120.200 0.159 0.000 2.070 1463 E HA -0.177 4.172 4.350 -0.001 0.000 0.197 1463 E C 1.434 178.124 176.600 0.149 0.000 1.004 1463 E CA 1.462 57.944 56.400 0.136 0.000 0.805 1463 E CB 0.113 29.855 29.700 0.069 0.000 0.744 1463 E HN 0.418 nan 8.360 nan 0.000 0.451 1464 T N 1.097 115.718 114.554 0.111 0.000 2.699 1464 T HA -0.233 4.117 4.350 -0.001 0.000 0.268 1464 T C 1.946 176.709 174.700 0.106 0.000 1.036 1464 T CA 1.414 63.571 62.100 0.093 0.000 1.147 1464 T CB -0.320 68.589 68.868 0.069 0.000 0.862 1464 T HN 0.271 nan 8.240 nan 0.000 0.446 1465 A N 0.785 123.679 122.820 0.123 0.000 1.825 1465 A HA -0.034 4.285 4.320 -0.001 0.000 0.214 1465 A C 2.096 179.768 177.584 0.147 0.000 1.206 1465 A CA 1.546 53.654 52.037 0.118 0.000 0.609 1465 A CB -1.399 17.672 19.000 0.118 0.000 0.851 1465 A HN 0.525 nan 8.150 nan 0.000 0.445 1466 Y N 0.480 120.839 120.300 0.098 0.000 2.139 1466 Y HA -0.254 4.296 4.550 -0.001 0.000 0.282 1466 Y C 2.107 178.035 175.900 0.048 0.000 1.179 1466 Y CA 2.033 60.191 58.100 0.096 0.000 1.161 1466 Y CB -0.178 38.374 38.460 0.153 0.000 0.970 1466 Y HN 0.237 nan 8.280 nan 0.000 0.511 1467 L N -0.584 120.804 121.223 0.275 0.000 2.027 1467 L HA -0.231 4.108 4.340 -0.001 0.000 0.206 1467 L C 2.650 179.569 176.870 0.081 0.000 1.074 1467 L CA 1.391 56.337 54.840 0.177 0.000 0.745 1467 L CB -0.567 41.582 42.059 0.150 0.000 0.898 1467 L HN 0.215 nan 8.230 nan 0.000 0.433 1468 R N 0.203 120.747 120.500 0.073 0.000 2.127 1468 R HA -0.226 4.113 4.340 -0.001 0.000 0.228 1468 R C 2.160 178.470 176.300 0.017 0.000 1.125 1468 R CA 2.020 58.151 56.100 0.051 0.000 0.904 1468 R CB -0.483 29.847 30.300 0.050 0.000 0.831 1468 R HN 0.375 nan 8.270 nan 0.000 0.431 1469 E N -0.178 120.012 120.200 -0.018 0.000 2.136 1469 E HA -0.262 4.088 4.350 -0.001 0.000 0.202 1469 E C 2.152 178.718 176.600 -0.057 0.000 1.019 1469 E CA 1.237 57.609 56.400 -0.046 0.000 0.819 1469 E CB -0.083 29.556 29.700 -0.102 0.000 0.739 1469 E HN 0.195 nan 8.360 nan 0.000 0.458 1470 R N -0.043 120.372 120.500 -0.141 0.000 2.090 1470 R HA -0.066 4.274 4.340 -0.001 0.000 0.228 1470 R C 2.603 178.867 176.300 -0.061 0.000 1.110 1470 R CA 1.715 57.719 56.100 -0.160 0.000 0.973 1470 R CB -1.076 29.085 30.300 -0.231 0.000 0.869 1470 R HN 0.393 nan 8.270 nan 0.000 0.440 1471 T N -0.790 113.750 114.554 -0.024 0.000 2.668 1471 T HA -0.083 4.266 4.350 -0.001 0.000 0.262 1471 T C 1.668 176.390 174.700 0.036 0.000 1.045 1471 T CA 0.984 63.072 62.100 -0.019 0.000 1.152 1471 T CB -0.346 68.598 68.868 0.128 0.000 0.864 1471 T HN 0.267 nan 8.240 nan 0.000 0.419 1472 E N 0.645 120.883 120.200 0.063 0.000 2.136 1472 E HA -0.310 4.039 4.350 -0.001 0.000 0.202 1472 E C 2.241 178.881 176.600 0.067 0.000 1.019 1472 E CA 1.662 58.101 56.400 0.066 0.000 0.819 1472 E CB -0.417 29.315 29.700 0.052 0.000 0.739 1472 E HN 0.621 nan 8.360 nan 0.000 0.458 1473 H N 1.036 120.090 119.070 -0.027 0.000 2.321 1473 H HA -0.082 4.473 4.556 -0.001 0.000 0.300 1473 H C 2.043 177.375 175.328 0.006 0.000 1.087 1473 H CA 1.544 57.579 56.048 -0.022 0.000 1.319 1473 H CB -0.099 29.633 29.762 -0.051 0.000 1.379 1473 H HN 0.163 nan 8.280 nan 0.000 0.501 1474 I N 0.837 121.519 120.570 0.187 0.000 2.286 1474 I HA -0.204 3.966 4.170 -0.001 0.000 0.248 1474 I C 2.554 178.748 176.117 0.130 0.000 1.115 1474 I CA 0.880 62.270 61.300 0.149 0.000 1.392 1474 I CB -0.225 37.658 38.000 -0.194 0.000 1.065 1474 I HN 0.202 nan 8.210 nan 0.000 0.418 1475 E N 1.202 121.451 120.200 0.082 0.000 2.017 1475 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 1475 E C 2.283 178.909 176.600 0.043 0.000 0.997 1475 E CA 1.281 57.743 56.400 0.103 0.000 0.804 1475 E CB -0.310 29.452 29.700 0.103 0.000 0.757 1475 E HN 0.455 nan 8.360 nan 0.000 0.448 1476 R N 0.508 120.996 120.500 -0.021 0.000 2.097 1476 R HA -0.196 4.143 4.340 -0.001 0.000 0.236 1476 R C 2.375 178.607 176.300 -0.113 0.000 1.135 1476 R CA 1.719 57.772 56.100 -0.077 0.000 0.934 1476 R CB -0.356 29.862 30.300 -0.137 0.000 0.846 1476 R HN 0.067 nan 8.270 nan 0.000 0.431 1477 E N 0.391 120.481 120.200 -0.183 0.000 2.209 1477 E HA -0.156 4.194 4.350 -0.001 0.000 0.196 1477 E C 1.579 178.082 176.600 -0.162 0.000 0.993 1477 E CA 1.362 57.646 56.400 -0.193 0.000 0.819 1477 E CB -0.062 29.542 29.700 -0.160 0.000 0.745 1477 E HN 0.395 nan 8.360 nan 0.000 0.477 1478 A N 0.572 123.382 122.820 -0.016 0.000 1.832 1478 A HA -0.141 4.178 4.320 -0.001 0.000 0.214 1478 A C 2.187 179.746 177.584 -0.042 0.000 1.200 1478 A CA 1.589 53.633 52.037 0.010 0.000 0.610 1478 A CB -0.536 18.563 19.000 0.164 0.000 0.842 1478 A HN 0.201 nan 8.150 nan 0.000 0.444 1479 R N -0.918 119.575 120.500 -0.012 0.000 2.113 1479 R HA -0.193 4.147 4.340 -0.001 0.000 0.244 1479 R C 2.563 178.833 176.300 -0.051 0.000 1.142 1479 R CA 1.883 57.973 56.100 -0.017 0.000 0.953 1479 R CB -0.385 29.913 30.300 -0.004 0.000 0.860 1479 R HN 0.526 nan 8.270 nan 0.000 0.438 1480 R N 0.458 120.909 120.500 -0.081 0.000 2.094 1480 R HA -0.231 4.108 4.340 -0.001 0.000 0.239 1480 R C 2.261 178.490 176.300 -0.119 0.000 1.137 1480 R CA 1.923 57.963 56.100 -0.100 0.000 0.943 1480 R CB -0.130 30.092 30.300 -0.130 0.000 0.850 1480 R HN 0.112 nan 8.270 nan 0.000 0.433 1481 Q N 0.552 120.251 119.800 -0.168 0.000 2.170 1481 Q HA -0.126 4.213 4.340 -0.001 0.000 0.203 1481 Q C 1.652 177.581 176.000 -0.118 0.000 0.976 1481 Q CA 1.560 57.246 55.803 -0.194 0.000 0.858 1481 Q CB 0.008 28.544 28.738 -0.337 0.000 0.907 1481 Q HN 0.357 nan 8.270 nan 0.000 0.433 1482 E N -0.669 119.482 120.200 -0.081 0.000 2.000 1482 E HA -0.216 4.134 4.350 -0.001 0.000 0.199 1482 E C 1.818 178.404 176.600 -0.024 0.000 1.011 1482 E CA 1.088 57.466 56.400 -0.037 0.000 0.836 1482 E CB -0.300 29.391 29.700 -0.015 0.000 0.778 1482 E HN 0.410 nan 8.360 nan 0.000 0.462 1483 A N 1.525 124.330 122.820 -0.026 0.000 1.958 1483 A HA -0.285 4.034 4.320 -0.001 0.000 0.221 1483 A C 1.925 179.490 177.584 -0.032 0.000 1.178 1483 A CA 1.887 53.912 52.037 -0.021 0.000 0.642 1483 A CB -0.631 18.356 19.000 -0.022 0.000 0.816 1483 A HN 0.295 nan 8.150 nan 0.000 0.453 1484 E N -0.672 119.496 120.200 -0.053 0.000 2.077 1484 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 1484 E C 2.343 178.910 176.600 -0.055 0.000 0.989 1484 E CA 0.993 57.352 56.400 -0.069 0.000 0.800 1484 E CB -0.266 29.377 29.700 -0.095 0.000 0.746 1484 E HN 0.656 nan 8.360 nan 0.000 0.452 1485 A N 1.099 123.908 122.820 -0.019 0.000 1.968 1485 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 1485 A C 2.064 179.725 177.584 0.128 0.000 1.169 1485 A CA 1.110 53.184 52.037 0.062 0.000 0.638 1485 A CB -0.363 18.698 19.000 0.101 0.000 0.812 1485 A HN 0.165 nan 8.150 nan 0.000 0.446 1486 Q N -0.755 119.085 119.800 0.066 0.000 2.096 1486 Q HA -0.172 4.168 4.340 -0.001 0.000 0.204 1486 Q C 2.096 178.122 176.000 0.043 0.000 0.982 1486 Q CA 2.135 57.976 55.803 0.063 0.000 0.850 1486 Q CB -0.268 28.484 28.738 0.022 0.000 0.901 1486 Q HN 0.625 nan 8.270 nan 0.000 0.422 1487 T N 0.232 114.779 114.554 -0.011 0.000 2.652 1487 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 1487 T C 1.802 176.451 174.700 -0.086 0.000 1.039 1487 T CA 1.720 63.786 62.100 -0.056 0.000 1.153 1487 T CB -0.298 68.517 68.868 -0.089 0.000 0.863 1487 T HN 0.506 nan 8.240 nan 0.000 0.428 1488 S N -0.188 115.423 115.700 -0.149 0.000 2.555 1488 S HA 0.117 4.586 4.470 -0.001 0.000 0.230 1488 S C 1.290 175.635 174.600 -0.425 0.000 0.978 1488 S CA 0.460 58.466 58.200 -0.325 0.000 0.934 1488 S CB -0.465 62.455 63.200 -0.466 0.000 0.766 1488 S HN 0.538 nan 8.310 nan 0.000 0.533 1489 F N 0.196 120.175 119.950 0.048 0.000 2.767 1489 F HA 0.439 4.966 4.527 -0.001 0.000 0.323 1489 F C 2.036 177.870 175.800 0.057 0.000 1.091 1489 F CA -0.163 57.859 58.000 0.038 0.000 1.192 1489 F CB 0.825 39.797 39.000 -0.046 0.000 1.056 1489 F HN 0.363 nan 8.300 nan 0.000 0.571 1490 G N -0.361 108.596 108.800 0.261 0.000 2.906 1490 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.200 1490 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.200 1490 G C 1.188 176.248 174.900 0.267 0.000 1.101 1490 G CA 0.093 45.317 45.100 0.207 0.000 0.760 1490 G HN 0.052 nan 8.290 nan 0.000 0.694 1491 N N 0.895 119.645 118.700 0.082 0.000 2.132 1491 N HA -0.022 4.717 4.740 -0.001 0.000 0.187 1491 N C 1.056 176.449 175.510 -0.195 0.000 1.038 1491 N CA 0.915 53.958 53.050 -0.011 0.000 0.846 1491 N CB 0.168 38.623 38.487 -0.054 0.000 1.012 1491 N HN 0.282 nan 8.380 nan 0.000 0.429 1492 E N 0.627 120.635 120.200 -0.319 0.000 2.558 1492 E HA 0.047 4.397 4.350 -0.001 0.000 0.205 1492 E C 0.595 176.800 176.600 -0.658 0.000 1.006 1492 E CA -0.283 55.705 56.400 -0.687 0.000 0.961 1492 E CB 0.022 29.442 29.700 -0.467 0.000 1.044 1492 E HN 0.396 nan 8.360 nan 0.000 0.465 1493 F N -0.002 119.748 119.950 -0.334 0.000 2.408 1493 F HA -0.082 4.444 4.527 -0.001 0.000 0.300 1493 F C 1.580 177.348 175.800 -0.054 0.000 1.090 1493 F CA 0.207 58.112 58.000 -0.157 0.000 1.427 1493 F CB -0.558 38.456 39.000 0.024 0.000 1.070 1493 F HN 0.127 nan 8.300 nan 0.000 0.549 1494 W N 1.442 122.379 121.300 -0.605 0.000 3.220 1494 W HA 0.347 5.006 4.660 -0.001 0.000 0.328 1494 W C 0.429 176.835 176.519 -0.188 0.000 1.205 1494 W CA -0.683 56.440 57.345 -0.371 0.000 1.773 1494 W CB -1.024 28.104 29.460 -0.553 0.000 1.086 1494 W HN -0.016 nan 8.180 nan 0.000 0.622 1495 R N 3.176 123.394 120.500 -0.470 0.000 2.435 1495 R HA -0.020 4.319 4.340 -0.001 0.000 0.325 1495 R C 0.921 177.143 176.300 -0.130 0.000 1.149 1495 R CA 0.443 56.308 56.100 -0.392 0.000 0.995 1495 R CB -0.266 29.752 30.300 -0.470 0.000 1.008 1495 R HN 0.292 nan 8.270 nan 0.000 0.470 1496 R N 2.076 122.567 120.500 -0.016 0.000 3.919 1496 R HA -0.178 4.162 4.340 -0.001 0.000 0.412 1496 R C -0.983 175.337 176.300 0.034 0.000 1.102 1496 R CA 1.104 57.209 56.100 0.010 0.000 1.082 1496 R CB -1.215 29.069 30.300 -0.027 0.000 1.671 1496 R HN 0.706 nan 8.270 nan 0.000 0.540 1497 D N 0.134 120.573 120.400 0.067 0.000 2.346 1497 D HA 0.058 4.697 4.640 -0.001 0.000 0.260 1497 D C 0.965 177.315 176.300 0.084 0.000 1.252 1497 D CA 0.869 54.919 54.000 0.084 0.000 0.895 1497 D CB 1.457 42.335 40.800 0.131 0.000 1.097 1497 D HN 0.226 nan 8.370 nan 0.000 0.489 1498 S N 4.026 119.764 115.700 0.063 0.000 2.465 1498 S HA -0.156 4.314 4.470 -0.001 0.000 0.241 1498 S C 1.273 175.912 174.600 0.064 0.000 1.000 1498 S CA 1.033 59.267 58.200 0.057 0.000 0.964 1498 S CB 0.040 63.266 63.200 0.044 0.000 0.763 1498 S HN 0.541 nan 8.310 nan 0.000 0.512 1499 R N -0.081 120.463 120.500 0.074 0.000 2.468 1499 R HA 0.435 4.774 4.340 -0.001 0.000 0.280 1499 R C -0.484 175.866 176.300 0.084 0.000 0.963 1499 R CA 0.057 56.200 56.100 0.071 0.000 1.083 1499 R CB 0.424 30.765 30.300 0.068 0.000 1.200 1499 R HN 0.383 nan 8.270 nan 0.000 0.541 1500 I N 1.194 121.823 120.570 0.098 0.000 2.497 1500 I HA 0.270 4.440 4.170 -0.001 0.000 0.284 1500 I C -0.321 175.838 176.117 0.069 0.000 1.060 1500 I CA -0.946 60.414 61.300 0.101 0.000 1.071 1500 I CB 1.948 40.053 38.000 0.174 0.000 1.216 1500 I HN -0.008 nan 8.210 nan 0.000 0.442 1501 A N 7.978 130.815 122.820 0.027 0.000 2.511 1501 A HA 0.310 4.629 4.320 -0.001 0.000 0.242 1501 A C -1.719 175.798 177.584 -0.112 0.000 1.069 1501 A CA -0.768 51.264 52.037 -0.008 0.000 0.763 1501 A CB -0.126 18.874 19.000 -0.000 0.000 1.001 1501 A HN 0.539 nan 8.150 nan 0.000 0.498 1502 P HA -0.178 nan 4.420 nan 0.000 0.216 1502 P C 1.556 178.488 177.300 -0.613 0.000 1.150 1502 P CA 0.885 63.790 63.100 -0.325 0.000 0.843 1502 P CB 0.049 31.693 31.700 -0.093 0.000 0.787 1503 L N -1.276 119.737 121.223 -0.350 0.000 1.970 1503 L HA -0.238 4.101 4.340 -0.001 0.000 0.212 1503 L C 2.796 179.462 176.870 -0.340 0.000 1.071 1503 L CA 1.677 56.326 54.840 -0.318 0.000 0.751 1503 L CB -0.522 41.423 42.059 -0.189 0.000 0.889 1503 L HN -0.097 nan 8.230 nan 0.000 0.432 1504 R N -0.097 120.253 120.500 -0.251 0.000 2.143 1504 R HA -0.206 4.133 4.340 -0.001 0.000 0.239 1504 R C 2.043 178.153 176.300 -0.317 0.000 1.126 1504 R CA 1.795 57.782 56.100 -0.189 0.000 0.927 1504 R CB -1.492 28.751 30.300 -0.094 0.000 0.860 1504 R HN 0.538 nan 8.270 nan 0.000 0.433 1505 G N 0.340 108.793 108.800 -0.578 0.000 2.721 1505 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.218 1505 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.218 1505 G C 1.559 175.698 174.900 -1.269 0.000 1.265 1505 G CA 2.086 46.474 45.100 -1.187 0.000 0.796 1505 G HN 0.535 nan 8.290 nan 0.000 0.620 1506 A N 0.051 121.925 122.820 -1.577 0.000 1.958 1506 A HA -0.052 4.268 4.320 -0.001 0.000 0.221 1506 A C 2.533 180.048 177.584 -0.115 0.000 1.178 1506 A CA 1.815 53.482 52.037 -0.617 0.000 0.642 1506 A CB -0.431 18.274 19.000 -0.491 0.000 0.816 1506 A HN 0.410 nan 8.150 nan 0.000 0.453 1507 L N -1.366 119.752 121.223 -0.175 0.000 2.023 1507 L HA -0.123 4.216 4.340 -0.001 0.000 0.205 1507 L C 3.116 180.064 176.870 0.131 0.000 1.073 1507 L CA 1.014 55.854 54.840 0.000 0.000 0.745 1507 L CB -0.562 41.456 42.059 -0.069 0.000 0.900 1507 L HN 0.441 nan 8.230 nan 0.000 0.435 1508 A N -0.264 122.617 122.820 0.100 0.000 2.024 1508 A HA -0.242 4.078 4.320 -0.001 0.000 0.220 1508 A C 2.299 180.066 177.584 0.305 0.000 1.164 1508 A CA 2.097 54.266 52.037 0.219 0.000 0.643 1508 A CB -0.965 18.205 19.000 0.284 0.000 0.806 1508 A HN 0.532 nan 8.150 nan 0.000 0.451 1509 T N -4.633 110.122 114.554 0.334 0.000 3.098 1509 T HA -0.135 4.215 4.350 -0.001 0.000 0.266 1509 T C 0.933 175.530 174.700 -0.171 0.000 1.145 1509 T CA 1.201 63.445 62.100 0.240 0.000 1.092 1509 T CB -0.507 68.464 68.868 0.171 0.000 0.908 1509 T HN 0.640 nan 8.240 nan 0.000 0.526 1510 W N 0.370 121.794 121.300 0.206 0.000 2.862 1510 W HA 0.566 5.225 4.660 -0.001 0.000 0.376 1510 W C 1.313 177.988 176.519 0.259 0.000 1.028 1510 W CA -0.403 57.073 57.345 0.219 0.000 1.757 1510 W CB 0.377 29.933 29.460 0.161 0.000 1.128 1510 W HN 0.321 nan 8.180 nan 0.000 0.566 1511 G N 1.728 110.726 108.800 0.331 0.000 2.248 1511 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.252 1511 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.252 1511 G C -0.732 174.320 174.900 0.254 0.000 1.085 1511 G CA -0.315 44.934 45.100 0.249 0.000 0.845 1511 G HN 0.180 nan 8.290 nan 0.000 0.494 1512 L N -0.175 121.177 121.223 0.215 0.000 2.393 1512 L HA 0.860 5.199 4.340 -0.001 0.000 0.260 1512 L C 0.686 177.613 176.870 0.096 0.000 1.002 1512 L CA -0.599 54.332 54.840 0.151 0.000 0.818 1512 L CB 2.465 44.582 42.059 0.095 0.000 1.369 1512 L HN 0.363 nan 8.230 nan 0.000 0.412 1513 T N -2.905 111.694 114.554 0.075 0.000 2.841 1513 T HA 0.519 4.868 4.350 -0.001 0.000 0.276 1513 T C 1.163 175.875 174.700 0.020 0.000 1.003 1513 T CA -0.779 61.348 62.100 0.046 0.000 0.995 1513 T CB 1.038 69.941 68.868 0.059 0.000 1.260 1513 T HN 0.437 nan 8.240 nan 0.000 0.581 1514 I N -0.011 120.560 120.570 0.002 0.000 2.423 1514 I HA -0.101 4.069 4.170 -0.001 0.000 0.254 1514 I C 1.605 177.724 176.117 0.002 0.000 1.151 1514 I CA 1.145 62.434 61.300 -0.018 0.000 1.421 1514 I CB -0.652 37.328 38.000 -0.035 0.000 1.079 1514 I HN 0.474 nan 8.210 nan 0.000 0.431 1515 D N 1.041 121.459 120.400 0.031 0.000 2.264 1515 D HA -0.128 4.512 4.640 -0.001 0.000 0.208 1515 D C 1.679 178.014 176.300 0.058 0.000 0.966 1515 D CA 0.969 54.994 54.000 0.042 0.000 0.864 1515 D CB -0.227 40.633 40.800 0.098 0.000 0.933 1515 D HN 0.431 nan 8.370 nan 0.000 0.499 1516 D N -0.030 120.405 120.400 0.058 0.000 2.323 1516 D HA -0.064 4.575 4.640 -0.001 0.000 0.209 1516 D C 0.730 177.049 176.300 0.032 0.000 0.973 1516 D CA -0.052 53.985 54.000 0.061 0.000 0.874 1516 D CB 0.411 41.244 40.800 0.056 0.000 0.930 1516 D HN 0.137 nan 8.370 nan 0.000 0.521 1517 L N 1.685 122.914 121.223 0.009 0.000 2.600 1517 L HA 0.141 4.480 4.340 -0.001 0.000 0.278 1517 L C 1.307 178.205 176.870 0.047 0.000 1.139 1517 L CA 0.167 55.008 54.840 0.001 0.000 0.933 1517 L CB 0.808 42.852 42.059 -0.024 0.000 1.266 1517 L HN -0.135 nan 8.230 nan 0.000 0.471 1518 G N 4.084 112.931 108.800 0.079 0.000 2.497 1518 G HA2 0.126 4.085 3.960 -0.001 0.000 0.210 1518 G HA3 0.126 4.085 3.960 -0.001 0.000 0.210 1518 G C 0.141 175.113 174.900 0.121 0.000 1.177 1518 G CA 0.128 45.298 45.100 0.116 0.000 0.822 1518 G HN 0.383 nan 8.290 nan 0.000 0.550 1519 V N 0.929 120.923 119.914 0.133 0.000 2.513 1519 V HA 0.726 4.845 4.120 -0.001 0.000 0.299 1519 V C -0.317 175.853 176.094 0.126 0.000 1.035 1519 V CA -0.786 61.587 62.300 0.122 0.000 0.889 1519 V CB 1.495 33.385 31.823 0.111 0.000 0.988 1519 V HN 0.451 nan 8.190 nan 0.000 0.440 1520 A N 3.057 125.942 122.820 0.108 0.000 2.291 1520 A HA 0.684 5.004 4.320 -0.001 0.000 0.311 1520 A C -0.045 177.589 177.584 0.084 0.000 1.224 1520 A CA -0.359 51.722 52.037 0.072 0.000 0.821 1520 A CB 1.256 20.281 19.000 0.042 0.000 1.172 1520 A HN 0.689 nan 8.150 nan 0.000 0.494 1521 S N 2.127 117.836 115.700 0.016 0.000 2.465 1521 S HA 0.608 5.077 4.470 -0.001 0.000 0.279 1521 S C -0.706 173.903 174.600 0.015 0.000 1.201 1521 S CA -0.142 58.068 58.200 0.018 0.000 1.053 1521 S CB -0.406 62.781 63.200 -0.022 0.000 0.953 1521 S HN 0.375 nan 8.310 nan 0.000 0.488 1522 F N 3.255 123.132 119.950 -0.123 0.000 2.397 1522 F HA 0.361 4.888 4.527 -0.001 0.000 0.331 1522 F C 1.464 177.384 175.800 0.201 0.000 1.090 1522 F CA -0.629 57.409 58.000 0.064 0.000 1.065 1522 F CB 0.867 39.928 39.000 0.102 0.000 1.184 1522 F HN 0.729 nan 8.300 nan 0.000 0.499 1523 H N 2.588 121.822 119.070 0.273 0.000 2.265 1523 H HA -0.036 4.519 4.556 -0.001 0.000 0.295 1523 H C 1.449 176.920 175.328 0.238 0.000 1.084 1523 H CA 1.359 57.521 56.048 0.190 0.000 1.261 1523 H CB -0.622 29.275 29.762 0.225 0.000 1.360 1523 H HN 0.756 nan 8.280 nan 0.000 0.487 1524 G N 0.272 109.322 108.800 0.416 0.000 2.195 1524 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.256 1524 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.256 1524 G C 0.755 175.721 174.900 0.109 0.000 0.817 1524 G CA 0.922 46.228 45.100 0.343 0.000 1.235 1524 G HN 0.786 nan 8.290 nan 0.000 0.358 1525 T N -1.485 113.072 114.554 0.004 0.000 3.163 1525 T HA 0.481 4.830 4.350 -0.001 0.000 0.252 1525 T C 1.385 176.138 174.700 0.088 0.000 1.056 1525 T CA 0.945 63.029 62.100 -0.026 0.000 0.947 1525 T CB 0.462 69.269 68.868 -0.102 0.000 1.016 1525 T HN 1.954 nan 8.240 nan 0.000 0.554 1526 S N 0.704 116.427 115.700 0.040 0.000 3.084 1526 S HA -0.198 4.272 4.470 -0.001 0.000 0.277 1526 S C 0.493 175.116 174.600 0.039 0.000 1.295 1526 S CA 1.084 59.297 58.200 0.022 0.000 1.170 1526 S CB -2.268 60.963 63.200 0.051 0.000 1.412 1526 S HN 1.198 nan 8.310 nan 0.000 0.669 1527 T N -0.940 113.651 114.554 0.061 0.000 2.899 1527 T HA 0.649 4.999 4.350 -0.001 0.000 0.284 1527 T C 1.575 176.281 174.700 0.010 0.000 1.004 1527 T CA -0.312 61.825 62.100 0.061 0.000 1.043 1527 T CB 1.483 70.408 68.868 0.096 0.000 1.013 1527 T HN 0.296 nan 8.240 nan 0.000 0.518 1528 V N 1.531 121.448 119.914 0.005 0.000 2.261 1528 V HA -0.100 4.019 4.120 -0.001 0.000 0.246 1528 V C 3.007 179.089 176.094 -0.019 0.000 1.047 1528 V CA 2.137 64.430 62.300 -0.012 0.000 1.015 1528 V CB -1.707 30.111 31.823 -0.008 0.000 0.642 1528 V HN 1.074 nan 8.190 nan 0.000 0.446 1529 A N 0.479 123.287 122.820 -0.021 0.000 1.935 1529 A HA -0.128 4.192 4.320 -0.001 0.000 0.214 1529 A C 2.050 179.592 177.584 -0.070 0.000 1.178 1529 A CA 1.419 53.433 52.037 -0.038 0.000 0.640 1529 A CB -0.833 18.143 19.000 -0.041 0.000 0.825 1529 A HN 0.594 nan 8.150 nan 0.000 0.447 1530 N N 0.177 118.833 118.700 -0.073 0.000 2.430 1530 N HA -0.155 4.585 4.740 -0.001 0.000 0.186 1530 N C 0.812 176.272 175.510 -0.084 0.000 1.032 1530 N CA 1.746 54.726 53.050 -0.117 0.000 0.893 1530 N CB -0.079 38.382 38.487 -0.043 0.000 0.957 1530 N HN 0.438 nan 8.380 nan 0.000 0.442 1531 D N -0.664 119.709 120.400 -0.045 0.000 2.323 1531 D HA -0.015 4.624 4.640 -0.001 0.000 0.218 1531 D C 1.504 177.774 176.300 -0.050 0.000 0.973 1531 D CA 0.318 54.302 54.000 -0.026 0.000 0.890 1531 D CB -0.029 40.716 40.800 -0.091 0.000 1.011 1531 D HN 0.245 nan 8.370 nan 0.000 0.499 1532 K N 0.986 121.363 120.400 -0.038 0.000 1.978 1532 K HA -0.185 4.135 4.320 -0.001 0.000 0.214 1532 K C 1.917 178.478 176.600 -0.065 0.000 1.049 1532 K CA 1.255 57.545 56.287 0.006 0.000 0.939 1532 K CB -0.183 32.352 32.500 0.058 0.000 0.721 1532 K HN -0.074 nan 8.250 nan 0.000 0.441 1533 N N 1.038 119.692 118.700 -0.078 0.000 2.037 1533 N HA -0.216 4.524 4.740 -0.001 0.000 0.196 1533 N C 1.624 177.044 175.510 -0.150 0.000 1.034 1533 N CA 1.856 54.830 53.050 -0.128 0.000 0.861 1533 N CB -0.064 38.283 38.487 -0.233 0.000 1.039 1533 N HN 0.224 nan 8.380 nan 0.000 0.427 1534 E N -0.364 119.745 120.200 -0.152 0.000 2.033 1534 E HA -0.181 4.169 4.350 -0.001 0.000 0.199 1534 E C 2.044 178.749 176.600 0.175 0.000 1.011 1534 E CA 1.520 57.935 56.400 0.025 0.000 0.815 1534 E CB -0.217 29.663 29.700 0.301 0.000 0.755 1534 E HN 0.363 nan 8.360 nan 0.000 0.451 1535 S N 1.017 116.821 115.700 0.174 0.000 2.377 1535 S HA -0.243 4.227 4.470 -0.001 0.000 0.224 1535 S C 1.688 176.064 174.600 -0.374 0.000 1.042 1535 S CA 1.607 59.722 58.200 -0.142 0.000 1.086 1535 S CB -0.564 62.112 63.200 -0.872 0.000 0.995 1535 S HN 0.302 nan 8.310 nan 0.000 0.428 1536 D N 0.755 120.848 120.400 -0.513 0.000 2.170 1536 D HA -0.123 4.516 4.640 -0.001 0.000 0.193 1536 D C 1.807 178.144 176.300 0.063 0.000 1.004 1536 D CA 1.106 55.115 54.000 0.015 0.000 0.860 1536 D CB -0.352 40.547 40.800 0.165 0.000 0.931 1536 D HN 0.225 nan 8.370 nan 0.000 0.448 1537 V N 0.450 120.379 119.914 0.026 0.000 2.255 1537 V HA -0.145 3.974 4.120 -0.001 0.000 0.243 1537 V C 2.693 178.799 176.094 0.020 0.000 1.038 1537 V CA 1.127 63.454 62.300 0.045 0.000 1.008 1537 V CB -0.340 31.545 31.823 0.103 0.000 0.645 1537 V HN 0.248 nan 8.190 nan 0.000 0.449 1538 I N -0.677 119.896 120.570 0.004 0.000 2.335 1538 I HA -0.332 3.837 4.170 -0.001 0.000 0.251 1538 I C 2.543 178.662 176.117 0.004 0.000 1.129 1538 I CA 1.469 62.750 61.300 -0.031 0.000 1.402 1538 I CB -0.170 37.767 38.000 -0.106 0.000 1.069 1538 I HN 0.488 nan 8.210 nan 0.000 0.424 1539 C N 0.480 119.817 119.300 0.061 0.000 2.496 1539 C HA -0.175 4.285 4.460 -0.001 0.000 0.281 1539 C C 2.809 177.788 174.990 -0.018 0.000 1.250 1539 C CA 1.025 60.100 59.018 0.095 0.000 1.717 1539 C CB -0.944 26.983 27.740 0.313 0.000 2.082 1539 C HN 0.479 nan 8.230 nan 0.000 0.472 1540 Q N -0.154 119.670 119.800 0.040 0.000 2.133 1540 Q HA -0.301 4.038 4.340 -0.001 0.000 0.208 1540 Q C 2.281 178.259 176.000 -0.038 0.000 0.991 1540 Q CA 2.015 57.822 55.803 0.007 0.000 0.867 1540 Q CB -0.342 28.409 28.738 0.022 0.000 0.911 1540 Q HN 0.740 nan 8.270 nan 0.000 0.417 1541 Q N 0.328 120.100 119.800 -0.047 0.000 1.985 1541 Q HA -0.204 4.136 4.340 -0.001 0.000 0.207 1541 Q C 2.310 178.256 176.000 -0.090 0.000 0.996 1541 Q CA 1.468 57.237 55.803 -0.056 0.000 0.851 1541 Q CB -0.301 28.397 28.738 -0.066 0.000 0.921 1541 Q HN 0.414 nan 8.270 nan 0.000 0.418 1542 L N 0.717 121.839 121.223 -0.169 0.000 2.013 1542 L HA -0.265 4.075 4.340 -0.001 0.000 0.212 1542 L C 2.708 179.338 176.870 -0.399 0.000 1.073 1542 L CA 1.406 56.082 54.840 -0.273 0.000 0.753 1542 L CB -0.653 41.199 42.059 -0.345 0.000 0.890 1542 L HN 0.279 nan 8.230 nan 0.000 0.432 1543 K N 0.089 120.159 120.400 -0.549 0.000 1.977 1543 K HA -0.312 4.007 4.320 -0.001 0.000 0.218 1543 K C 2.203 178.723 176.600 -0.133 0.000 1.051 1543 K CA 2.364 58.389 56.287 -0.437 0.000 0.953 1543 K CB -0.447 31.906 32.500 -0.246 0.000 0.727 1543 K HN 0.344 nan 8.250 nan 0.000 0.445 1544 H N 0.466 119.456 119.070 -0.132 0.000 2.460 1544 H HA -0.077 4.479 4.556 -0.001 0.000 0.297 1544 H C 1.969 177.257 175.328 -0.068 0.000 1.103 1544 H CA 1.693 57.697 56.048 -0.073 0.000 1.292 1544 H CB -0.030 29.700 29.762 -0.054 0.000 1.376 1544 H HN 0.209 nan 8.280 nan 0.000 0.531 1545 L N -1.214 119.973 121.223 -0.061 0.000 2.217 1545 L HA 0.033 4.372 4.340 -0.001 0.000 0.211 1545 L C 1.850 178.651 176.870 -0.116 0.000 1.107 1545 L CA 1.312 56.094 54.840 -0.097 0.000 0.783 1545 L CB -0.103 41.926 42.059 -0.049 0.000 0.919 1545 L HN 0.781 nan 8.230 nan 0.000 0.442 1546 G N -0.493 108.246 108.800 -0.102 0.000 2.318 1546 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.172 1546 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.172 1546 G C 0.355 175.258 174.900 0.004 0.000 1.002 1546 G CA -0.166 44.904 45.100 -0.050 0.000 0.697 1546 G HN 0.207 nan 8.290 nan 0.000 0.483 1547 R N 2.567 123.053 120.500 -0.022 0.000 2.560 1547 R HA 0.222 4.561 4.340 -0.001 0.000 0.296 1547 R C 1.107 177.524 176.300 0.195 0.000 0.873 1547 R CA 1.299 57.430 56.100 0.052 0.000 1.140 1547 R CB -0.187 30.095 30.300 -0.031 0.000 0.875 1547 R HN 0.523 nan 8.270 nan 0.000 0.419 1548 T N 2.880 117.510 114.554 0.126 0.000 2.814 1548 T HA 0.184 4.533 4.350 -0.001 0.000 0.297 1548 T C -0.030 174.702 174.700 0.053 0.000 0.956 1548 T CA -0.867 61.311 62.100 0.131 0.000 1.123 1548 T CB 0.661 69.645 68.868 0.194 0.000 0.902 1548 T HN 0.490 nan 8.240 nan 0.000 0.528 1549 K N 2.208 122.649 120.400 0.070 0.000 2.504 1549 K HA 0.211 4.530 4.320 -0.001 0.000 0.278 1549 K C 1.479 178.022 176.600 -0.094 0.000 1.025 1549 K CA 1.257 57.497 56.287 -0.079 0.000 1.093 1549 K CB -0.076 32.413 32.500 -0.018 0.000 0.873 1549 K HN 1.086 nan 8.250 nan 0.000 0.483 1550 G N 2.472 111.156 108.800 -0.193 0.000 2.232 1550 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.226 1550 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.226 1550 G C 0.033 174.820 174.900 -0.187 0.000 0.996 1550 G CA -0.047 45.029 45.100 -0.040 0.000 0.626 1550 G HN 0.619 nan 8.290 nan 0.000 0.509 1551 N N 1.634 119.977 118.700 -0.595 0.000 2.521 1551 N HA 0.639 5.378 4.740 -0.001 0.000 0.236 1551 N C 0.352 175.744 175.510 -0.197 0.000 1.067 1551 N CA 0.774 53.307 53.050 -0.862 0.000 0.939 1551 N CB 0.442 38.070 38.487 -1.432 0.000 1.201 1551 N HN 0.796 nan 8.380 nan 0.000 0.511 1552 A N 2.339 125.246 122.820 0.145 0.000 2.286 1552 A HA 0.551 4.871 4.320 -0.001 0.000 0.286 1552 A C -0.144 177.539 177.584 0.164 0.000 1.097 1552 A CA -0.691 51.441 52.037 0.160 0.000 0.821 1552 A CB 0.571 19.632 19.000 0.102 0.000 1.076 1552 A HN 0.494 nan 8.150 nan 0.000 0.490 1553 V N 0.478 120.461 119.914 0.115 0.000 2.439 1553 V HA 0.424 4.543 4.120 -0.001 0.000 0.282 1553 V C 0.202 176.336 176.094 0.066 0.000 1.039 1553 V CA -0.818 61.546 62.300 0.106 0.000 0.913 1553 V CB 0.689 32.578 31.823 0.109 0.000 0.983 1553 V HN 0.694 nan 8.190 nan 0.000 0.460 1554 L N 4.512 125.785 121.223 0.084 0.000 2.477 1554 L HA 0.368 4.707 4.340 -0.001 0.000 0.272 1554 L C 1.017 177.895 176.870 0.013 0.000 1.157 1554 L CA 0.570 55.437 54.840 0.044 0.000 0.889 1554 L CB 0.591 42.691 42.059 0.069 0.000 1.158 1554 L HN 0.996 nan 8.230 nan 0.000 0.473 1555 G N 5.865 114.620 108.800 -0.074 0.000 2.335 1555 G HA2 0.550 4.509 3.960 -0.001 0.000 0.314 1555 G HA3 0.550 4.509 3.960 -0.001 0.000 0.314 1555 G C -0.349 174.311 174.900 -0.400 0.000 1.129 1555 G CA -0.496 44.476 45.100 -0.214 0.000 0.912 1555 G HN 0.484 nan 8.290 nan 0.000 0.443 1556 I N 1.296 121.623 120.570 -0.404 0.000 2.498 1556 I HA 0.436 4.605 4.170 -0.001 0.000 0.301 1556 I C -0.808 174.963 176.117 -0.576 0.000 0.984 1556 I CA -0.694 60.424 61.300 -0.303 0.000 1.204 1556 I CB 1.890 39.863 38.000 -0.045 0.000 1.362 1556 I HN 0.351 nan 8.210 nan 0.000 0.471 1557 F N 4.010 124.104 119.950 0.240 0.000 2.769 1557 F HA 0.264 4.790 4.527 -0.001 0.000 0.358 1557 F C 1.136 177.092 175.800 0.260 0.000 1.285 1557 F CA -0.465 57.680 58.000 0.242 0.000 1.199 1557 F CB 0.616 39.735 39.000 0.198 0.000 1.558 1557 F HN 0.470 nan 8.300 nan 0.000 0.583 1558 Q N 0.978 120.933 119.800 0.257 0.000 2.297 1558 Q HA -0.177 4.163 4.340 -0.001 0.000 0.208 1558 Q C 1.772 177.774 176.000 0.005 0.000 0.981 1558 Q CA 1.258 57.113 55.803 0.087 0.000 0.876 1558 Q CB 0.294 29.092 28.738 0.100 0.000 0.921 1558 Q HN 0.324 nan 8.270 nan 0.000 0.446 1559 K N 0.060 120.537 120.400 0.128 0.000 2.152 1559 K HA -0.202 4.117 4.320 -0.001 0.000 0.206 1559 K C 1.832 178.494 176.600 0.104 0.000 1.048 1559 K CA 1.413 57.765 56.287 0.109 0.000 0.933 1559 K CB -0.839 31.713 32.500 0.086 0.000 0.721 1559 K HN 0.535 nan 8.250 nan 0.000 0.447 1560 Y N -0.324 120.060 120.300 0.139 0.000 2.241 1560 Y HA -0.144 4.405 4.550 -0.001 0.000 0.286 1560 Y C 1.880 177.858 175.900 0.129 0.000 1.166 1560 Y CA 1.123 59.286 58.100 0.105 0.000 1.203 1560 Y CB -0.547 37.962 38.460 0.081 0.000 0.977 1560 Y HN -0.012 nan 8.280 nan 0.000 0.529 1561 L N -0.031 120.822 121.223 -0.616 0.000 2.316 1561 L HA -0.001 4.339 4.340 -0.001 0.000 0.207 1561 L C 2.062 179.004 176.870 0.121 0.000 1.070 1561 L CA 1.487 56.077 54.840 -0.417 0.000 0.820 1561 L CB -0.228 41.298 42.059 -0.888 0.000 0.992 1561 L HN 0.519 nan 8.230 nan 0.000 0.466 1562 T N -3.268 111.344 114.554 0.097 0.000 3.037 1562 T HA 0.340 4.689 4.350 -0.001 0.000 0.251 1562 T C 1.046 175.927 174.700 0.300 0.000 1.079 1562 T CA 0.372 62.638 62.100 0.277 0.000 1.067 1562 T CB 0.327 69.415 68.868 0.367 0.000 0.948 1562 T HN 0.467 nan 8.240 nan 0.000 0.496 1563 G N 1.477 110.405 108.800 0.214 0.000 2.796 1563 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.226 1563 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.226 1563 G C -0.762 174.292 174.900 0.258 0.000 1.381 1563 G CA -0.284 44.942 45.100 0.210 0.000 0.867 1563 G HN 0.847 nan 8.290 nan 0.000 0.552 1564 H N 1.599 120.745 119.070 0.127 0.000 2.623 1564 H HA 0.562 5.117 4.556 -0.001 0.000 0.299 1564 H C -2.133 173.173 175.328 -0.038 0.000 1.052 1564 H CA -2.491 53.564 56.048 0.012 0.000 1.231 1564 H CB 1.399 31.155 29.762 -0.009 0.000 1.389 1564 H HN 0.243 nan 8.280 nan 0.000 0.469 1565 P HA 0.132 nan 4.420 nan 0.000 0.214 1565 P C 0.346 177.660 177.300 0.024 0.000 1.826 1565 P CA -0.280 62.767 63.100 -0.088 0.000 0.977 1565 P CB -0.012 31.260 31.700 -0.713 0.000 1.930 1566 K N 0.268 120.709 120.400 0.067 0.000 6.280 1566 K HA -0.332 3.987 4.320 -0.001 0.000 0.381 1566 K C 1.894 178.565 176.600 0.119 0.000 0.627 1566 K CA 2.373 58.640 56.287 -0.033 0.000 1.297 1566 K CB -2.185 30.335 32.500 0.034 0.000 0.809 1566 K HN 0.391 nan 8.250 nan 0.000 0.885 1567 G N -0.321 108.486 108.800 0.012 0.000 2.411 1567 G HA2 0.073 4.032 3.960 -0.001 0.000 0.213 1567 G HA3 0.073 4.032 3.960 -0.001 0.000 0.213 1567 G C 1.378 176.211 174.900 -0.111 0.000 1.166 1567 G CA 0.775 45.845 45.100 -0.049 0.000 0.802 1567 G HN 0.579 nan 8.290 nan 0.000 0.533 1568 A N 0.818 123.519 122.820 -0.199 0.000 2.252 1568 A HA 0.585 4.904 4.320 -0.001 0.000 0.207 1568 A C 2.434 179.725 177.584 -0.487 0.000 1.194 1568 A CA 1.329 53.170 52.037 -0.326 0.000 0.809 1568 A CB -0.430 18.321 19.000 -0.415 0.000 0.814 1568 A HN 0.579 nan 8.150 nan 0.000 0.482 1569 A N 0.247 122.879 122.820 -0.312 0.000 1.849 1569 A HA -0.018 4.301 4.320 -0.001 0.000 0.217 1569 A C 2.430 179.956 177.584 -0.097 0.000 1.202 1569 A CA 2.086 53.969 52.037 -0.256 0.000 0.629 1569 A CB -1.499 17.392 19.000 -0.182 0.000 0.834 1569 A HN 0.823 nan 8.150 nan 0.000 0.447 1570 G N -0.787 107.995 108.800 -0.029 0.000 2.469 1570 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.219 1570 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.219 1570 G C 1.764 176.690 174.900 0.045 0.000 1.150 1570 G CA 1.888 46.997 45.100 0.015 0.000 0.763 1570 G HN 0.937 nan 8.290 nan 0.000 0.561 1571 A N 0.203 123.045 122.820 0.037 0.000 1.858 1571 A HA -0.056 4.263 4.320 -0.001 0.000 0.216 1571 A C 2.191 179.928 177.584 0.255 0.000 1.190 1571 A CA 1.753 53.864 52.037 0.123 0.000 0.617 1571 A CB -0.726 18.358 19.000 0.140 0.000 0.827 1571 A HN 0.441 nan 8.150 nan 0.000 0.443 1572 W N -0.095 121.216 121.300 0.019 0.000 2.335 1572 W HA -0.174 4.486 4.660 -0.001 0.000 0.311 1572 W C 2.546 179.059 176.519 -0.009 0.000 1.213 1572 W CA 1.305 58.656 57.345 0.010 0.000 1.274 1572 W CB -1.226 28.247 29.460 0.021 0.000 1.148 1572 W HN 0.321 nan 8.180 nan 0.000 0.498 1573 M N -0.793 118.943 119.600 0.227 0.000 2.086 1573 M HA -0.197 4.283 4.480 -0.001 0.000 0.261 1573 M C 2.192 178.492 176.300 -0.001 0.000 1.067 1573 M CA 1.442 56.801 55.300 0.099 0.000 1.116 1573 M CB -1.244 31.406 32.600 0.084 0.000 1.348 1573 M HN -0.087 nan 8.290 nan 0.000 0.407 1574 L N 1.263 122.495 121.223 0.016 0.000 2.043 1574 L HA -0.236 4.103 4.340 -0.001 0.000 0.212 1574 L C 1.922 178.732 176.870 -0.100 0.000 1.075 1574 L CA 1.942 56.763 54.840 -0.031 0.000 0.752 1574 L CB -0.806 41.280 42.059 0.044 0.000 0.891 1574 L HN 0.268 nan 8.230 nan 0.000 0.432 1575 N N -0.089 118.584 118.700 -0.044 0.000 2.084 1575 N HA -0.133 4.606 4.740 -0.001 0.000 0.190 1575 N C 1.837 177.247 175.510 -0.166 0.000 1.030 1575 N CA 1.481 54.471 53.050 -0.101 0.000 0.849 1575 N CB -1.117 37.342 38.487 -0.046 0.000 1.012 1575 N HN 0.474 nan 8.380 nan 0.000 0.423 1576 G N 0.432 109.175 108.800 -0.094 0.000 2.476 1576 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.218 1576 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.218 1576 G C 1.804 176.568 174.900 -0.225 0.000 1.164 1576 G CA 1.253 46.318 45.100 -0.060 0.000 0.768 1576 G HN 0.397 nan 8.290 nan 0.000 0.560 1577 C N 0.277 119.328 119.300 -0.416 0.000 2.453 1577 C HA 0.109 4.568 4.460 -0.001 0.000 0.277 1577 C C 2.895 177.512 174.990 -0.622 0.000 1.262 1577 C CA 0.472 59.014 59.018 -0.794 0.000 1.718 1577 C CB -1.109 25.489 27.740 -1.902 0.000 2.031 1577 C HN 0.431 nan 8.230 nan 0.000 0.480 1578 L N 0.396 121.359 121.223 -0.434 0.000 2.189 1578 L HA -0.260 4.080 4.340 -0.001 0.000 0.214 1578 L C 2.625 179.385 176.870 -0.183 0.000 1.097 1578 L CA 1.586 56.340 54.840 -0.144 0.000 0.764 1578 L CB -0.822 41.192 42.059 -0.075 0.000 0.900 1578 L HN 0.545 nan 8.230 nan 0.000 0.436 1579 Q N -0.770 118.805 119.800 -0.375 0.000 2.062 1579 Q HA -0.113 4.227 4.340 -0.001 0.000 0.196 1579 Q C 2.400 178.043 176.000 -0.595 0.000 0.967 1579 Q CA 0.999 56.396 55.803 -0.677 0.000 0.832 1579 Q CB 0.049 28.026 28.738 -1.268 0.000 0.899 1579 Q HN 0.279 nan 8.270 nan 0.000 0.442 1580 V N 1.333 121.033 119.914 -0.356 0.000 2.252 1580 V HA -0.317 3.803 4.120 -0.001 0.000 0.249 1580 V C 2.244 178.342 176.094 0.006 0.000 1.056 1580 V CA 1.695 63.975 62.300 -0.033 0.000 1.022 1580 V CB -0.626 31.219 31.823 0.038 0.000 0.641 1580 V HN 0.423 nan 8.190 nan 0.000 0.445 1581 L N 0.220 121.433 121.223 -0.016 0.000 2.089 1581 L HA -0.275 4.064 4.340 -0.001 0.000 0.213 1581 L C 2.260 179.145 176.870 0.025 0.000 1.079 1581 L CA 2.097 56.968 54.840 0.053 0.000 0.758 1581 L CB -0.560 41.512 42.059 0.021 0.000 0.891 1581 L HN 0.513 nan 8.230 nan 0.000 0.433 1582 N N -1.272 117.408 118.700 -0.033 0.000 2.336 1582 N HA -0.061 4.679 4.740 -0.001 0.000 0.189 1582 N C 1.228 176.782 175.510 0.073 0.000 1.113 1582 N CA 1.083 54.139 53.050 0.010 0.000 0.858 1582 N CB 0.461 38.931 38.487 -0.027 0.000 0.970 1582 N HN 0.429 nan 8.380 nan 0.000 0.471 1583 T N -5.280 109.330 114.554 0.094 0.000 2.992 1583 T HA 0.240 4.589 4.350 -0.001 0.000 0.255 1583 T C 1.263 176.077 174.700 0.190 0.000 0.938 1583 T CA 0.813 63.014 62.100 0.168 0.000 0.895 1583 T CB 0.365 69.388 68.868 0.259 0.000 1.221 1583 T HN 0.031 nan 8.240 nan 0.000 0.512 1584 G N 2.075 110.983 108.800 0.180 0.000 2.168 1584 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.263 1584 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.263 1584 G C 0.041 175.008 174.900 0.112 0.000 0.977 1584 G CA 0.451 45.649 45.100 0.163 0.000 0.659 1584 G HN 0.735 nan 8.290 nan 0.000 0.533 1585 I N 0.745 121.420 120.570 0.177 0.000 2.342 1585 I HA 0.421 4.590 4.170 -0.001 0.000 0.291 1585 I C 0.245 176.473 176.117 0.184 0.000 1.010 1585 I CA -0.893 60.498 61.300 0.152 0.000 1.308 1585 I CB 1.766 39.920 38.000 0.255 0.000 1.400 1585 I HN -0.154 nan 8.210 nan 0.000 0.488 1586 V N 8.475 128.430 119.914 0.068 0.000 2.313 1586 V HA 0.274 4.394 4.120 -0.001 0.000 0.278 1586 V C -2.158 173.959 176.094 0.039 0.000 1.017 1586 V CA -1.772 60.574 62.300 0.077 0.000 0.823 1586 V CB 1.121 32.966 31.823 0.037 0.000 1.010 1586 V HN 0.572 nan 8.190 nan 0.000 0.443 1587 P HA 0.219 nan 4.420 nan 0.000 0.269 1587 P C 0.289 177.611 177.300 0.037 0.000 1.215 1587 P CA 0.310 63.404 63.100 -0.010 0.000 0.780 1587 P CB 0.695 32.382 31.700 -0.022 0.000 0.898 1588 G N 0.959 109.762 108.800 0.007 0.000 2.410 1588 G HA2 0.212 4.172 3.960 -0.001 0.000 0.330 1588 G HA3 0.212 4.172 3.960 -0.001 0.000 0.330 1588 G C -0.567 174.296 174.900 -0.061 0.000 1.142 1588 G CA -0.748 44.354 45.100 0.002 0.000 0.902 1588 G HN 0.597 nan 8.290 nan 0.000 0.491 1589 N N 1.003 119.656 118.700 -0.078 0.000 2.663 1589 N HA 0.049 4.788 4.740 -0.001 0.000 0.250 1589 N C 1.488 176.642 175.510 -0.595 0.000 1.129 1589 N CA -0.444 52.379 53.050 -0.377 0.000 0.995 1589 N CB 0.201 38.719 38.487 0.053 0.000 1.324 1589 N HN 0.472 nan 8.380 nan 0.000 0.512 1590 R N 1.337 121.270 120.500 -0.943 0.000 2.154 1590 R HA -0.135 4.205 4.340 -0.001 0.000 0.248 1590 R C 0.632 176.717 176.300 -0.359 0.000 1.155 1590 R CA 1.391 57.180 56.100 -0.519 0.000 0.979 1590 R CB -0.043 30.037 30.300 -0.366 0.000 0.869 1590 R HN 0.552 nan 8.270 nan 0.000 0.452 1591 N N 0.164 118.617 118.700 -0.412 0.000 2.362 1591 N HA 0.054 4.793 4.740 -0.001 0.000 0.204 1591 N C -0.479 174.968 175.510 -0.104 0.000 1.166 1591 N CA 0.264 53.220 53.050 -0.157 0.000 0.831 1591 N CB 0.794 39.262 38.487 -0.032 0.000 1.008 1591 N HN 0.132 nan 8.380 nan 0.000 0.472 1592 A N 0.689 123.442 122.820 -0.111 0.000 3.046 1592 A HA 0.021 4.340 4.320 -0.001 0.000 0.259 1592 A C 1.120 178.763 177.584 0.098 0.000 1.843 1592 A CA -0.317 51.723 52.037 0.005 0.000 1.451 1592 A CB -0.355 18.719 19.000 0.123 0.000 1.025 1592 A HN 0.040 nan 8.150 nan 0.000 0.625 1593 D N 0.905 121.347 120.400 0.070 0.000 2.549 1593 D HA -0.225 4.414 4.640 -0.001 0.000 0.199 1593 D C 0.523 177.008 176.300 0.308 0.000 1.034 1593 D CA 2.172 56.279 54.000 0.179 0.000 0.880 1593 D CB 0.085 40.960 40.800 0.125 0.000 1.044 1593 D HN 0.691 nan 8.370 nan 0.000 0.469 1594 N N -1.244 117.594 118.700 0.230 0.000 2.976 1594 N HA 0.112 4.851 4.740 -0.001 0.000 0.249 1594 N C -1.655 173.863 175.510 0.012 0.000 1.258 1594 N CA -0.222 52.972 53.050 0.239 0.000 0.864 1594 N CB 1.182 39.786 38.487 0.195 0.000 1.551 1594 N HN -0.232 nan 8.380 nan 0.000 0.607 1595 V N 1.729 121.546 119.914 -0.162 0.000 2.694 1595 V HA 0.004 4.124 4.120 -0.001 0.000 0.306 1595 V C 0.818 176.863 176.094 -0.081 0.000 1.054 1595 V CA 0.072 62.214 62.300 -0.264 0.000 1.161 1595 V CB 0.356 31.878 31.823 -0.501 0.000 0.916 1595 V HN 0.642 nan 8.190 nan 0.000 0.490 1596 D N 4.396 124.756 120.400 -0.066 0.000 2.487 1596 D HA -0.023 4.617 4.640 -0.001 0.000 0.243 1596 D C 1.252 177.646 176.300 0.157 0.000 1.154 1596 D CA 0.018 54.032 54.000 0.023 0.000 0.876 1596 D CB 0.784 41.570 40.800 -0.024 0.000 1.161 1596 D HN 0.421 nan 8.370 nan 0.000 0.478 1597 K N 2.814 123.313 120.400 0.165 0.000 2.228 1597 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 1597 K C 1.824 178.417 176.600 -0.012 0.000 1.045 1597 K CA 0.657 57.032 56.287 0.146 0.000 0.931 1597 K CB -0.257 32.291 32.500 0.080 0.000 0.727 1597 K HN 0.377 nan 8.250 nan 0.000 0.458 1598 V N 1.373 121.296 119.914 0.016 0.000 2.392 1598 V HA -0.236 3.883 4.120 -0.001 0.000 0.249 1598 V C 2.168 178.264 176.094 0.003 0.000 1.059 1598 V CA 1.437 63.730 62.300 -0.011 0.000 1.051 1598 V CB -0.500 31.361 31.823 0.063 0.000 0.658 1598 V HN 0.293 nan 8.190 nan 0.000 0.455 1599 M N -0.309 119.390 119.600 0.165 0.000 2.686 1599 M HA -0.045 4.434 4.480 -0.001 0.000 0.246 1599 M C 1.906 178.312 176.300 0.176 0.000 1.096 1599 M CA 0.933 56.493 55.300 0.433 0.000 1.076 1599 M CB -1.144 31.605 32.600 0.248 0.000 1.504 1599 M HN 0.537 nan 8.290 nan 0.000 0.524 1600 E N 1.480 121.422 120.200 -0.430 0.000 2.072 1600 E HA -0.200 4.149 4.350 -0.001 0.000 0.190 1600 E C 2.001 178.252 176.600 -0.583 0.000 0.982 1600 E CA 0.884 56.654 56.400 -1.050 0.000 0.803 1600 E CB 0.063 28.932 29.700 -1.386 0.000 0.755 1600 E HN 0.681 nan 8.360 nan 0.000 0.453 1601 Q N -0.071 119.386 119.800 -0.571 0.000 2.439 1601 Q HA -0.130 4.210 4.340 -0.001 0.000 0.211 1601 Q C -0.280 175.408 176.000 -0.521 0.000 0.978 1601 Q CA 0.611 56.076 55.803 -0.564 0.000 0.897 1601 Q CB -0.229 28.123 28.738 -0.643 0.000 0.956 1601 Q HN 0.166 nan 8.270 nan 0.000 0.483 1602 F N 2.985 122.926 119.950 -0.016 0.000 2.384 1602 F HA 0.218 4.744 4.527 -0.001 0.000 0.359 1602 F C 0.485 176.304 175.800 0.032 0.000 1.143 1602 F CA -1.100 56.946 58.000 0.076 0.000 1.216 1602 F CB 0.557 39.650 39.000 0.156 0.000 1.512 1602 F HN -0.030 nan 8.300 nan 0.000 0.573 1603 D N 0.991 121.451 120.400 0.099 0.000 2.123 1603 D HA -0.269 4.371 4.640 -0.001 0.000 0.196 1603 D C 1.553 177.787 176.300 -0.111 0.000 0.992 1603 D CA 1.845 55.786 54.000 -0.098 0.000 0.833 1603 D CB -0.354 40.274 40.800 -0.287 0.000 0.954 1603 D HN 0.499 nan 8.370 nan 0.000 0.455 1604 Y N 0.601 120.933 120.300 0.055 0.000 2.578 1604 Y HA 0.153 4.703 4.550 -0.001 0.000 0.297 1604 Y C 1.076 176.977 175.900 0.001 0.000 1.176 1604 Y CA 0.047 58.164 58.100 0.028 0.000 1.315 1604 Y CB -0.022 38.462 38.460 0.039 0.000 1.031 1604 Y HN -0.119 nan 8.280 nan 0.000 0.524 1605 I N 0.095 120.710 120.570 0.075 0.000 2.406 1605 I HA 0.378 4.547 4.170 -0.001 0.000 0.290 1605 I C -0.977 174.908 176.117 -0.385 0.000 0.999 1605 I CA -0.967 60.247 61.300 -0.143 0.000 1.124 1605 I CB 2.088 39.970 38.000 -0.196 0.000 1.289 1605 I HN -0.377 nan 8.210 nan 0.000 0.441 1606 V N 7.280 126.949 119.914 -0.409 0.000 2.487 1606 V HA 0.424 4.543 4.120 -0.001 0.000 0.298 1606 V C -1.211 174.663 176.094 -0.367 0.000 1.028 1606 V CA -0.424 61.635 62.300 -0.401 0.000 0.860 1606 V CB 1.819 33.443 31.823 -0.332 0.000 0.991 1606 V HN 0.476 nan 8.190 nan 0.000 0.427 1607 Y N 7.081 127.380 120.300 -0.001 0.000 2.504 1607 Y HA 0.505 5.054 4.550 -0.001 0.000 0.339 1607 Y C -2.223 173.721 175.900 0.073 0.000 0.974 1607 Y CA -3.114 55.030 58.100 0.073 0.000 1.232 1607 Y CB 0.729 39.222 38.460 0.054 0.000 1.108 1607 Y HN 0.479 nan 8.280 nan 0.000 0.509 1608 P HA 0.118 nan 4.420 nan 0.000 0.286 1608 P C 0.450 177.877 177.300 0.212 0.000 1.269 1608 P CA -0.379 62.841 63.100 0.199 0.000 0.787 1608 P CB 1.532 33.298 31.700 0.111 0.000 0.920 1609 S N 2.961 118.802 115.700 0.236 0.000 2.575 1609 S HA 0.122 4.591 4.470 -0.001 0.000 0.215 1609 S C 0.536 175.084 174.600 -0.087 0.000 0.966 1609 S CA -0.260 57.976 58.200 0.060 0.000 0.911 1609 S CB -0.330 62.820 63.200 -0.083 0.000 0.780 1609 S HN 0.516 nan 8.310 nan 0.000 0.514 1610 R N -0.382 120.089 120.500 -0.049 0.000 2.774 1610 R HA 0.688 5.028 4.340 -0.001 0.000 0.272 1610 R C -1.140 175.124 176.300 -0.062 0.000 1.000 1610 R CA -0.734 55.312 56.100 -0.090 0.000 0.906 1610 R CB 0.719 30.946 30.300 -0.120 0.000 1.227 1610 R HN -0.048 nan 8.270 nan 0.000 0.468 1611 S N 0.834 116.479 115.700 -0.091 0.000 2.572 1611 S HA 0.298 4.767 4.470 -0.001 0.000 0.279 1611 S C 0.058 174.600 174.600 -0.098 0.000 1.341 1611 S CA -0.177 57.968 58.200 -0.092 0.000 1.043 1611 S CB 0.152 63.272 63.200 -0.134 0.000 0.887 1611 S HN 0.358 nan 8.310 nan 0.000 0.516 1612 I N 2.354 122.867 120.570 -0.095 0.000 2.478 1612 I HA 0.286 4.455 4.170 -0.001 0.000 0.287 1612 I C -0.456 175.539 176.117 -0.203 0.000 1.042 1612 I CA -0.825 60.391 61.300 -0.139 0.000 1.067 1612 I CB 1.871 39.799 38.000 -0.119 0.000 1.233 1612 I HN 0.369 nan 8.210 nan 0.000 0.431 1613 K N 5.550 125.792 120.400 -0.265 0.000 2.276 1613 K HA 0.450 4.769 4.320 -0.001 0.000 0.285 1613 K C -0.217 176.128 176.600 -0.424 0.000 1.062 1613 K CA -0.095 56.000 56.287 -0.319 0.000 0.918 1613 K CB 0.793 33.032 32.500 -0.435 0.000 1.055 1613 K HN 0.690 nan 8.250 nan 0.000 0.477 1614 T N -0.031 114.359 114.554 -0.273 0.000 2.910 1614 T HA 0.282 4.632 4.350 -0.001 0.000 0.287 1614 T C 0.464 175.412 174.700 0.413 0.000 1.050 1614 T CA -0.501 61.454 62.100 -0.242 0.000 1.011 1614 T CB 1.027 69.656 68.868 -0.398 0.000 1.195 1614 T HN 0.551 nan 8.240 nan 0.000 0.540 1615 D N -0.560 120.238 120.400 0.663 0.000 2.310 1615 D HA 0.311 4.950 4.640 -0.001 0.000 0.212 1615 D C 1.067 177.590 176.300 0.372 0.000 0.965 1615 D CA 0.771 55.101 54.000 0.550 0.000 0.879 1615 D CB -0.515 40.595 40.800 0.518 0.000 0.921 1615 D HN 1.166 nan 8.370 nan 0.000 0.510 1616 G N -0.123 108.868 108.800 0.319 0.000 2.350 1616 G HA2 0.360 4.319 3.960 -0.001 0.000 0.305 1616 G HA3 0.360 4.319 3.960 -0.001 0.000 0.305 1616 G C -1.570 173.470 174.900 0.233 0.000 1.479 1616 G CA -0.534 44.717 45.100 0.251 0.000 0.949 1616 G HN 0.277 nan 8.290 nan 0.000 0.651 1617 I N -1.732 118.976 120.570 0.231 0.000 2.569 1617 I HA 0.671 4.840 4.170 -0.001 0.000 0.296 1617 I C 0.352 176.601 176.117 0.220 0.000 1.028 1617 I CA -1.277 60.149 61.300 0.210 0.000 1.082 1617 I CB 1.608 39.723 38.000 0.191 0.000 1.264 1617 I HN 0.717 nan 8.210 nan 0.000 0.429 1618 K N 3.509 123.993 120.400 0.140 0.000 2.172 1618 K HA 0.564 4.884 4.320 -0.001 0.000 0.203 1618 K C 0.528 177.081 176.600 -0.078 0.000 1.040 1618 K CA 0.872 57.178 56.287 0.031 0.000 0.974 1618 K CB 0.388 32.877 32.500 -0.018 0.000 0.857 1618 K HN 0.831 nan 8.250 nan 0.000 0.464 1619 A N 0.909 123.696 122.820 -0.056 0.000 2.539 1619 A HA 0.633 4.952 4.320 -0.001 0.000 0.296 1619 A C -1.316 176.256 177.584 -0.021 0.000 1.073 1619 A CA -0.820 51.124 52.037 -0.154 0.000 0.700 1619 A CB 0.846 19.697 19.000 -0.249 0.000 1.296 1619 A HN 0.195 nan 8.150 nan 0.000 0.405 1620 F N -0.153 119.750 119.950 -0.078 0.000 2.611 1620 F HA 0.881 5.407 4.527 -0.001 0.000 0.324 1620 F C -0.080 175.667 175.800 -0.088 0.000 1.061 1620 F CA -1.077 56.886 58.000 -0.061 0.000 0.954 1620 F CB 1.863 40.837 39.000 -0.044 0.000 1.301 1620 F HN 0.565 nan 8.300 nan 0.000 0.482 1621 S N 2.342 118.187 115.700 0.242 0.000 2.774 1621 S HA 0.613 5.082 4.470 -0.001 0.000 0.297 1621 S C -1.067 173.597 174.600 0.106 0.000 1.143 1621 S CA -0.473 57.777 58.200 0.084 0.000 1.090 1621 S CB 0.393 63.557 63.200 -0.059 0.000 1.019 1621 S HN 1.371 nan 8.310 nan 0.000 0.482 1622 V N 3.300 123.310 119.914 0.161 0.000 2.607 1622 V HA 0.941 5.060 4.120 -0.001 0.000 0.289 1622 V C -0.330 175.719 176.094 -0.074 0.000 1.053 1622 V CA -0.206 62.118 62.300 0.039 0.000 0.996 1622 V CB 1.005 32.876 31.823 0.080 0.000 0.995 1622 V HN 0.907 nan 8.190 nan 0.000 0.476 1623 T N 2.127 116.613 114.554 -0.113 0.000 2.991 1623 T HA 0.705 5.054 4.350 -0.001 0.000 0.303 1623 T C -0.379 174.236 174.700 -0.142 0.000 1.015 1623 T CA -0.173 61.810 62.100 -0.195 0.000 1.007 1623 T CB 1.089 69.826 68.868 -0.219 0.000 1.034 1623 T HN 1.379 nan 8.240 nan 0.000 0.446 1624 S N 1.702 117.190 115.700 -0.354 0.000 2.599 1624 S HA 0.929 5.399 4.470 -0.001 0.000 0.294 1624 S C -1.357 172.769 174.600 -0.790 0.000 1.094 1624 S CA -0.909 56.988 58.200 -0.505 0.000 0.931 1624 S CB 1.232 64.231 63.200 -0.334 0.000 1.093 1624 S HN 0.521 nan 8.310 nan 0.000 0.488 1625 F N -0.379 119.043 119.950 -0.881 0.000 2.588 1625 F HA 0.857 5.384 4.527 -0.001 0.000 0.314 1625 F C 0.720 176.345 175.800 -0.292 0.000 1.069 1625 F CA -0.374 57.376 58.000 -0.417 0.000 0.931 1625 F CB 2.351 41.198 39.000 -0.255 0.000 1.260 1625 F HN 1.064 nan 8.300 nan 0.000 0.465 1626 G N 0.155 108.988 108.800 0.054 0.000 2.798 1626 G HA2 0.611 4.571 3.960 -0.001 0.000 0.286 1626 G HA3 0.611 4.571 3.960 -0.001 0.000 0.286 1626 G C -1.766 173.210 174.900 0.125 0.000 1.389 1626 G CA -0.774 44.408 45.100 0.137 0.000 0.894 1626 G HN 0.273 nan 8.290 nan 0.000 0.488 1627 F N 0.629 120.625 119.950 0.077 0.000 2.518 1627 F HA 0.409 4.935 4.527 -0.001 0.000 0.359 1627 F C 1.441 177.270 175.800 0.049 0.000 1.118 1627 F CA 1.405 59.449 58.000 0.074 0.000 1.287 1627 F CB 1.040 40.092 39.000 0.087 0.000 1.132 1627 F HN 0.963 nan 8.300 nan 0.000 0.587 1628 G N 2.909 111.806 108.800 0.161 0.000 2.326 1628 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.286 1628 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.286 1628 G C 0.072 175.009 174.900 0.062 0.000 1.096 1628 G CA 0.034 45.197 45.100 0.105 0.000 1.003 1628 G HN 0.831 nan 8.290 nan 0.000 0.503 1629 Q N -2.143 117.681 119.800 0.039 0.000 2.439 1629 Q HA -0.242 4.097 4.340 -0.001 0.000 0.325 1629 Q C 0.531 176.544 176.000 0.023 0.000 1.372 1629 Q CA 1.588 57.410 55.803 0.032 0.000 0.909 1629 Q CB -0.645 28.107 28.738 0.024 0.000 1.167 1629 Q HN 0.608 nan 8.270 nan 0.000 0.418 1630 K N 0.845 121.258 120.400 0.023 0.000 2.526 1630 K HA 0.360 4.679 4.320 -0.001 0.000 0.214 1630 K C -0.074 176.471 176.600 -0.091 0.000 1.088 1630 K CA 0.074 56.352 56.287 -0.015 0.000 1.058 1630 K CB 0.632 33.142 32.500 0.017 0.000 1.653 1630 K HN 0.328 nan 8.250 nan 0.000 0.521 1631 G N 1.033 109.746 108.800 -0.146 0.000 2.325 1631 G HA2 0.644 4.603 3.960 -0.001 0.000 0.298 1631 G HA3 0.644 4.603 3.960 -0.001 0.000 0.298 1631 G C -0.958 173.708 174.900 -0.388 0.000 1.134 1631 G CA -0.461 44.409 45.100 -0.384 0.000 0.876 1631 G HN 0.532 nan 8.290 nan 0.000 0.452 1632 A N 2.227 124.745 122.820 -0.502 0.000 2.454 1632 A HA 0.895 5.214 4.320 -0.001 0.000 0.302 1632 A C -0.597 176.762 177.584 -0.375 0.000 1.079 1632 A CA -0.762 51.068 52.037 -0.345 0.000 0.731 1632 A CB 2.182 21.041 19.000 -0.235 0.000 1.299 1632 A HN 0.781 nan 8.150 nan 0.000 0.413 1633 Q N 0.352 119.995 119.800 -0.263 0.000 2.320 1633 Q HA 0.659 4.999 4.340 -0.001 0.000 0.272 1633 Q C -1.581 174.311 176.000 -0.180 0.000 1.023 1633 Q CA -0.613 55.054 55.803 -0.228 0.000 0.855 1633 Q CB 2.156 30.756 28.738 -0.230 0.000 1.367 1633 Q HN 1.514 nan 8.270 nan 0.000 0.406 1634 A N 4.187 126.919 122.820 -0.148 0.000 2.414 1634 A HA 0.755 5.075 4.320 -0.001 0.000 0.306 1634 A C -1.272 176.208 177.584 -0.174 0.000 1.054 1634 A CA -0.654 51.290 52.037 -0.156 0.000 0.724 1634 A CB 1.276 20.212 19.000 -0.107 0.000 1.267 1634 A HN 0.616 nan 8.150 nan 0.000 0.418 1635 I N 2.009 122.415 120.570 -0.274 0.000 2.406 1635 I HA 0.529 4.699 4.170 -0.001 0.000 0.290 1635 I C 0.589 176.349 176.117 -0.596 0.000 0.999 1635 I CA -0.244 60.815 61.300 -0.403 0.000 1.124 1635 I CB 0.985 38.792 38.000 -0.322 0.000 1.289 1635 I HN 0.741 nan 8.210 nan 0.000 0.441 1636 G N 5.312 113.395 108.800 -1.195 0.000 2.416 1636 G HA2 0.634 4.594 3.960 -0.001 0.000 0.329 1636 G HA3 0.634 4.594 3.960 -0.001 0.000 0.329 1636 G C -1.038 173.272 174.900 -0.983 0.000 1.173 1636 G CA -0.358 43.990 45.100 -1.253 0.000 0.929 1636 G HN 0.323 nan 8.290 nan 0.000 0.475 1637 V N 2.113 121.666 119.914 -0.602 0.000 2.769 1637 V HA 0.334 4.453 4.120 -0.001 0.000 0.312 1637 V C -0.159 175.715 176.094 -0.366 0.000 1.061 1637 V CA -1.098 60.891 62.300 -0.519 0.000 0.931 1637 V CB 1.815 33.225 31.823 -0.688 0.000 1.010 1637 V HN 0.829 nan 8.190 nan 0.000 0.433 1638 H N 5.610 124.471 119.070 -0.349 0.000 2.886 1638 H HA 0.115 4.671 4.556 -0.001 0.000 0.329 1638 H C -1.816 173.460 175.328 -0.085 0.000 1.044 1638 H CA -1.363 54.615 56.048 -0.115 0.000 1.456 1638 H CB 1.827 31.604 29.762 0.024 0.000 1.464 1638 H HN 0.328 nan 8.280 nan 0.000 0.573 1639 P HA -0.276 nan 4.420 nan 0.000 0.217 1639 P C 1.412 178.772 177.300 0.101 0.000 1.158 1639 P CA 2.877 65.959 63.100 -0.029 0.000 0.887 1639 P CB 0.118 31.855 31.700 0.061 0.000 0.792 1640 K N -1.318 119.453 120.400 0.619 0.000 2.059 1640 K HA -0.257 4.062 4.320 -0.001 0.000 0.212 1640 K C 1.884 178.640 176.600 0.259 0.000 1.050 1640 K CA 1.974 58.546 56.287 0.475 0.000 0.927 1640 K CB -1.669 30.938 32.500 0.179 0.000 0.714 1640 K HN 0.105 nan 8.250 nan 0.000 0.447 1641 Y N 1.039 121.364 120.300 0.041 0.000 2.256 1641 Y HA -0.152 4.398 4.550 -0.001 0.000 0.288 1641 Y C 2.313 178.311 175.900 0.163 0.000 1.155 1641 Y CA 1.108 59.254 58.100 0.076 0.000 1.203 1641 Y CB -0.573 37.898 38.460 0.018 0.000 0.980 1641 Y HN 0.145 nan 8.280 nan 0.000 0.530 1642 L N -1.252 119.972 121.223 0.002 0.000 2.027 1642 L HA -0.147 4.193 4.340 -0.001 0.000 0.206 1642 L C 1.880 178.838 176.870 0.148 0.000 1.074 1642 L CA 1.639 56.534 54.840 0.092 0.000 0.745 1642 L CB -0.792 41.080 42.059 -0.311 0.000 0.898 1642 L HN 0.025 nan 8.230 nan 0.000 0.433 1643 F N 0.596 120.685 119.950 0.231 0.000 2.269 1643 F HA -0.071 4.455 4.527 -0.001 0.000 0.301 1643 F C 2.497 178.435 175.800 0.230 0.000 1.082 1643 F CA 0.787 58.936 58.000 0.249 0.000 1.360 1643 F CB -1.473 37.682 39.000 0.259 0.000 1.041 1643 F HN 0.215 nan 8.300 nan 0.000 0.512 1644 A N -0.954 122.048 122.820 0.303 0.000 2.248 1644 A HA -0.052 4.268 4.320 -0.001 0.000 0.210 1644 A C 2.064 179.775 177.584 0.212 0.000 1.174 1644 A CA 1.491 53.630 52.037 0.171 0.000 0.750 1644 A CB -1.087 17.922 19.000 0.015 0.000 0.780 1644 A HN 0.319 nan 8.150 nan 0.000 0.478 1645 T N 0.146 114.859 114.554 0.265 0.000 3.035 1645 T HA 0.214 4.563 4.350 -0.001 0.000 0.259 1645 T C 0.769 175.594 174.700 0.208 0.000 1.078 1645 T CA 0.385 62.608 62.100 0.206 0.000 1.132 1645 T CB -0.232 68.755 68.868 0.198 0.000 0.900 1645 T HN 0.394 nan 8.240 nan 0.000 0.480 1646 L N 1.036 122.426 121.223 0.280 0.000 2.448 1646 L HA 0.481 4.821 4.340 -0.001 0.000 0.258 1646 L C -0.209 176.810 176.870 0.249 0.000 1.104 1646 L CA -1.234 53.752 54.840 0.244 0.000 0.800 1646 L CB 0.352 42.577 42.059 0.277 0.000 1.241 1646 L HN -0.018 nan 8.230 nan 0.000 0.472 1647 D N -0.252 120.219 120.400 0.118 0.000 2.225 1647 D HA 0.071 4.711 4.640 -0.001 0.000 0.249 1647 D C 0.647 176.761 176.300 -0.310 0.000 1.052 1647 D CA -0.455 53.554 54.000 0.015 0.000 0.909 1647 D CB 1.692 42.492 40.800 0.001 0.000 1.186 1647 D HN 0.474 nan 8.370 nan 0.000 0.431 1648 K N 1.397 121.298 120.400 -0.831 0.000 2.228 1648 K HA -0.266 4.054 4.320 -0.001 0.000 0.205 1648 K C 1.512 177.790 176.600 -0.538 0.000 1.045 1648 K CA 1.512 56.954 56.287 -1.407 0.000 0.931 1648 K CB -0.024 31.530 32.500 -1.577 0.000 0.727 1648 K HN 0.429 nan 8.250 nan 0.000 0.458 1649 A N 1.286 123.934 122.820 -0.287 0.000 1.851 1649 A HA -0.259 4.060 4.320 -0.001 0.000 0.216 1649 A C 2.090 179.621 177.584 -0.087 0.000 1.195 1649 A CA 1.864 53.817 52.037 -0.140 0.000 0.622 1649 A CB -0.657 18.300 19.000 -0.073 0.000 0.831 1649 A HN 0.569 nan 8.150 nan 0.000 0.444 1650 Q N -1.987 117.786 119.800 -0.045 0.000 1.967 1650 Q HA -0.202 4.137 4.340 -0.001 0.000 0.202 1650 Q C 2.139 178.171 176.000 0.054 0.000 0.985 1650 Q CA 1.740 57.558 55.803 0.025 0.000 0.839 1650 Q CB -0.554 28.224 28.738 0.067 0.000 0.906 1650 Q HN 0.773 nan 8.270 nan 0.000 0.423 1651 Y N 1.801 122.059 120.300 -0.070 0.000 2.139 1651 Y HA -0.325 4.225 4.550 -0.001 0.000 0.282 1651 Y C 2.091 177.989 175.900 -0.004 0.000 1.179 1651 Y CA 2.127 60.212 58.100 -0.024 0.000 1.161 1651 Y CB -0.047 38.365 38.460 -0.079 0.000 0.970 1651 Y HN 0.146 nan 8.280 nan 0.000 0.511 1652 E N -0.619 119.550 120.200 -0.052 0.000 2.285 1652 E HA -0.076 4.273 4.350 -0.001 0.000 0.194 1652 E C 2.199 178.732 176.600 -0.112 0.000 0.997 1652 E CA 0.616 56.952 56.400 -0.107 0.000 0.845 1652 E CB -0.192 29.458 29.700 -0.084 0.000 0.782 1652 E HN 0.596 nan 8.360 nan 0.000 0.491 1653 A N 0.264 123.047 122.820 -0.062 0.000 1.897 1653 A HA -0.183 4.137 4.320 -0.001 0.000 0.215 1653 A C 1.960 179.527 177.584 -0.029 0.000 1.181 1653 A CA 1.191 53.208 52.037 -0.034 0.000 0.620 1653 A CB -0.710 18.291 19.000 0.002 0.000 0.821 1653 A HN 0.534 nan 8.150 nan 0.000 0.443 1654 Y N 0.129 120.336 120.300 -0.155 0.000 2.145 1654 Y HA -0.262 4.288 4.550 -0.001 0.000 0.286 1654 Y C 2.398 178.169 175.900 -0.215 0.000 1.145 1654 Y CA 1.627 59.631 58.100 -0.159 0.000 1.148 1654 Y CB -0.872 37.497 38.460 -0.152 0.000 0.981 1654 Y HN 0.319 nan 8.280 nan 0.000 0.507 1655 C N -0.195 118.836 119.300 -0.448 0.000 2.410 1655 C HA -0.157 4.302 4.460 -0.001 0.000 0.281 1655 C C 2.706 177.493 174.990 -0.338 0.000 1.318 1655 C CA 1.179 59.886 59.018 -0.519 0.000 1.776 1655 C CB -1.285 26.202 27.740 -0.421 0.000 1.942 1655 C HN 0.573 nan 8.230 nan 0.000 0.508 1656 V N 0.467 120.241 119.914 -0.234 0.000 2.488 1656 V HA -0.148 3.971 4.120 -0.001 0.000 0.246 1656 V C 2.360 178.364 176.094 -0.150 0.000 1.046 1656 V CA 1.552 63.761 62.300 -0.152 0.000 1.053 1656 V CB -0.567 31.198 31.823 -0.098 0.000 0.679 1656 V HN 0.540 nan 8.190 nan 0.000 0.458 1657 K N 0.202 120.493 120.400 -0.182 0.000 2.009 1657 K HA -0.148 4.171 4.320 -0.001 0.000 0.210 1657 K C 2.158 178.653 176.600 -0.174 0.000 1.049 1657 K CA 1.629 57.826 56.287 -0.150 0.000 0.929 1657 K CB -0.570 31.848 32.500 -0.138 0.000 0.714 1657 K HN 0.276 nan 8.250 nan 0.000 0.440 1658 V N 1.868 121.579 119.914 -0.338 0.000 2.231 1658 V HA -0.341 3.778 4.120 -0.001 0.000 0.250 1658 V C 2.230 178.313 176.094 -0.018 0.000 1.058 1658 V CA 1.948 64.108 62.300 -0.233 0.000 1.022 1658 V CB -0.544 31.011 31.823 -0.448 0.000 0.640 1658 V HN 0.406 nan 8.190 nan 0.000 0.445 1659 Q N -0.769 118.982 119.800 -0.082 0.000 2.291 1659 Q HA -0.134 4.205 4.340 -0.001 0.000 0.206 1659 Q C 2.246 178.213 176.000 -0.056 0.000 0.976 1659 Q CA 1.383 57.153 55.803 -0.055 0.000 0.875 1659 Q CB -0.318 28.372 28.738 -0.081 0.000 0.927 1659 Q HN 0.732 nan 8.270 nan 0.000 0.450 1660 A N 1.004 123.796 122.820 -0.047 0.000 1.874 1660 A HA -0.118 4.202 4.320 -0.001 0.000 0.214 1660 A C 1.971 179.551 177.584 -0.005 0.000 1.189 1660 A CA 0.745 52.761 52.037 -0.035 0.000 0.615 1660 A CB -0.235 18.744 19.000 -0.034 0.000 0.830 1660 A HN 0.150 nan 8.150 nan 0.000 0.443 1661 R N -0.778 119.747 120.500 0.042 0.000 2.094 1661 R HA -0.193 4.147 4.340 -0.001 0.000 0.239 1661 R C 2.520 178.896 176.300 0.127 0.000 1.137 1661 R CA 1.667 57.837 56.100 0.116 0.000 0.943 1661 R CB -0.406 30.011 30.300 0.195 0.000 0.850 1661 R HN 0.636 nan 8.270 nan 0.000 0.433 1662 Q N 1.316 121.164 119.800 0.081 0.000 2.173 1662 Q HA -0.229 4.111 4.340 -0.001 0.000 0.208 1662 Q C 1.634 177.485 176.000 -0.248 0.000 0.989 1662 Q CA 1.856 57.336 55.803 -0.538 0.000 0.872 1662 Q CB 0.016 28.295 28.738 -0.765 0.000 0.909 1662 Q HN 0.254 nan 8.270 nan 0.000 0.420 1663 K N -0.054 120.274 120.400 -0.120 0.000 2.103 1663 K HA -0.094 4.226 4.320 -0.001 0.000 0.204 1663 K C 2.252 178.870 176.600 0.031 0.000 1.052 1663 K CA 1.233 57.480 56.287 -0.067 0.000 0.945 1663 K CB 0.105 32.553 32.500 -0.087 0.000 0.722 1663 K HN 0.107 nan 8.250 nan 0.000 0.443 1664 K N 0.373 120.785 120.400 0.020 0.000 2.002 1664 K HA -0.104 4.216 4.320 -0.001 0.000 0.209 1664 K C 2.194 178.837 176.600 0.072 0.000 1.048 1664 K CA 1.368 57.679 56.287 0.040 0.000 0.930 1664 K CB -0.217 32.285 32.500 0.004 0.000 0.714 1664 K HN 0.113 nan 8.250 nan 0.000 0.438 1665 A N 1.040 123.879 122.820 0.030 0.000 1.873 1665 A HA -0.262 4.057 4.320 -0.001 0.000 0.218 1665 A C 2.116 179.671 177.584 -0.049 0.000 1.193 1665 A CA 1.824 53.844 52.037 -0.028 0.000 0.629 1665 A CB -1.126 17.818 19.000 -0.094 0.000 0.826 1665 A HN 0.486 nan 8.150 nan 0.000 0.447 1666 Y N 0.526 120.729 120.300 -0.162 0.000 2.102 1666 Y HA -0.348 4.201 4.550 -0.001 0.000 0.280 1666 Y C 2.564 178.555 175.900 0.151 0.000 1.178 1666 Y CA 2.743 60.843 58.100 -0.000 0.000 1.146 1666 Y CB -0.341 38.109 38.460 -0.017 0.000 0.968 1666 Y HN 0.353 nan 8.280 nan 0.000 0.504 1667 R N -0.704 119.971 120.500 0.292 0.000 2.080 1667 R HA -0.233 4.106 4.340 -0.001 0.000 0.236 1667 R C 2.228 178.621 176.300 0.156 0.000 1.137 1667 R CA 1.982 58.204 56.100 0.203 0.000 0.943 1667 R CB -0.900 29.515 30.300 0.191 0.000 0.846 1667 R HN 0.449 nan 8.270 nan 0.000 0.431 1668 F N 0.844 120.798 119.950 0.008 0.000 2.046 1668 F HA -0.229 4.298 4.527 -0.001 0.000 0.297 1668 F C 1.993 177.782 175.800 -0.018 0.000 1.123 1668 F CA 1.709 59.702 58.000 -0.013 0.000 1.199 1668 F CB -1.040 37.946 39.000 -0.022 0.000 0.972 1668 F HN 0.100 nan 8.300 nan 0.000 0.474 1669 F N 0.336 120.179 119.950 -0.179 0.000 2.115 1669 F HA -0.314 4.212 4.527 -0.001 0.000 0.300 1669 F C 2.769 178.360 175.800 -0.348 0.000 1.092 1669 F CA 2.425 60.253 58.000 -0.287 0.000 1.245 1669 F CB -0.755 38.126 39.000 -0.198 0.000 0.995 1669 F HN 0.104 nan 8.300 nan 0.000 0.481 1670 H N -0.686 118.253 119.070 -0.219 0.000 2.395 1670 H HA -0.116 4.439 4.556 -0.001 0.000 0.299 1670 H C 1.995 177.111 175.328 -0.354 0.000 1.070 1670 H CA 1.444 57.294 56.048 -0.330 0.000 1.356 1670 H CB -0.491 29.093 29.762 -0.297 0.000 1.401 1670 H HN 0.329 nan 8.280 nan 0.000 0.524 1671 N N 0.712 119.308 118.700 -0.173 0.000 2.069 1671 N HA -0.119 4.620 4.740 -0.001 0.000 0.191 1671 N C 2.229 177.561 175.510 -0.296 0.000 1.031 1671 N CA 1.717 54.656 53.050 -0.185 0.000 0.852 1671 N CB -0.622 37.797 38.487 -0.113 0.000 1.018 1671 N HN 0.296 nan 8.380 nan 0.000 0.423 1672 G N 1.170 109.677 108.800 -0.489 0.000 2.480 1672 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 1672 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 1672 G C 1.586 176.246 174.900 -0.400 0.000 1.200 1672 G CA 0.804 45.613 45.100 -0.484 0.000 0.782 1672 G HN 0.324 nan 8.290 nan 0.000 0.554 1673 L N 0.053 120.855 121.223 -0.701 0.000 2.034 1673 L HA -0.171 4.169 4.340 -0.001 0.000 0.217 1673 L C 2.953 179.705 176.870 -0.197 0.000 1.077 1673 L CA 1.453 55.800 54.840 -0.822 0.000 0.769 1673 L CB -0.458 40.952 42.059 -1.082 0.000 0.890 1673 L HN 0.275 nan 8.230 nan 0.000 0.435 1674 I N -0.437 120.023 120.570 -0.182 0.000 2.353 1674 I HA -0.227 3.942 4.170 -0.001 0.000 0.248 1674 I C 1.338 177.464 176.117 0.014 0.000 1.119 1674 I CA 1.076 62.345 61.300 -0.051 0.000 1.417 1674 I CB -0.120 37.791 38.000 -0.149 0.000 1.078 1674 I HN 0.319 nan 8.210 nan 0.000 0.421 1675 N N 0.738 119.417 118.700 -0.036 0.000 2.203 1675 N HA 0.063 4.802 4.740 -0.001 0.000 0.207 1675 N C -0.351 175.160 175.510 0.003 0.000 1.130 1675 N CA 0.094 53.132 53.050 -0.020 0.000 0.861 1675 N CB 0.076 38.535 38.487 -0.048 0.000 1.005 1675 N HN 0.143 nan 8.380 nan 0.000 0.507 1676 N N 0.418 119.145 118.700 0.045 0.000 2.754 1676 N HA -0.186 4.554 4.740 -0.001 0.000 0.248 1676 N C -0.395 175.147 175.510 0.053 0.000 1.093 1676 N CA 0.659 53.755 53.050 0.076 0.000 0.699 1676 N CB -1.046 37.449 38.487 0.013 0.000 1.016 1676 N HN 0.393 nan 8.380 nan 0.000 0.552 1677 K N 0.471 120.868 120.400 -0.005 0.000 2.896 1677 K HA 0.336 4.655 4.320 -0.001 0.000 0.210 1677 K C 1.477 178.040 176.600 -0.063 0.000 1.116 1677 K CA -0.285 56.007 56.287 0.008 0.000 1.050 1677 K CB 0.467 32.962 32.500 -0.008 0.000 0.812 1677 K HN 0.121 nan 8.250 nan 0.000 0.462 1678 L N 0.288 121.511 121.223 0.000 0.000 2.275 1678 L HA 0.003 4.342 4.340 -0.001 0.000 0.215 1678 L C 0.378 177.396 176.870 0.247 0.000 1.119 1678 L CA 1.075 55.926 54.840 0.018 0.000 0.790 1678 L CB -0.052 42.133 42.059 0.211 0.000 0.919 1678 L HN 0.244 nan 8.230 nan 0.000 0.443 1679 F N 0.020 120.062 119.950 0.153 0.000 2.449 1679 F HA 0.468 4.995 4.527 -0.001 0.000 0.342 1679 F C -0.619 175.258 175.800 0.127 0.000 1.127 1679 F CA -0.668 57.425 58.000 0.155 0.000 0.975 1679 F CB 1.473 40.559 39.000 0.143 0.000 1.146 1679 F HN -0.477 nan 8.300 nan 0.000 0.444 1680 V N 6.521 126.328 119.914 -0.178 0.000 2.376 1680 V HA 0.562 4.681 4.120 -0.001 0.000 0.287 1680 V C -0.026 175.928 176.094 -0.235 0.000 1.015 1680 V CA -0.794 61.475 62.300 -0.052 0.000 0.834 1680 V CB 1.240 33.078 31.823 0.024 0.000 1.001 1680 V HN 0.965 nan 8.190 nan 0.000 0.428 1681 A N 6.305 129.152 122.820 0.044 0.000 2.488 1681 A HA 0.419 4.739 4.320 -0.001 0.000 0.249 1681 A C 0.368 177.964 177.584 0.020 0.000 1.083 1681 A CA -0.111 51.988 52.037 0.103 0.000 0.768 1681 A CB 0.149 19.326 19.000 0.295 0.000 1.017 1681 A HN 0.652 nan 8.150 nan 0.000 0.496 1682 K N 1.755 122.148 120.400 -0.010 0.000 2.249 1682 K HA 0.143 4.463 4.320 -0.001 0.000 0.280 1682 K C -0.458 176.183 176.600 0.069 0.000 1.033 1682 K CA -0.261 56.018 56.287 -0.012 0.000 0.946 1682 K CB 1.296 33.761 32.500 -0.059 0.000 1.005 1682 K HN 0.679 nan 8.250 nan 0.000 0.469 1683 D N 0.852 121.294 120.400 0.070 0.000 2.380 1683 D HA 0.058 4.698 4.640 -0.001 0.000 0.212 1683 D C -0.183 176.165 176.300 0.081 0.000 1.021 1683 D CA 0.928 54.976 54.000 0.081 0.000 0.884 1683 D CB 0.646 41.487 40.800 0.067 0.000 1.001 1683 D HN 0.131 nan 8.370 nan 0.000 0.506 1684 K N 0.166 120.621 120.400 0.092 0.000 2.477 1684 K HA 0.689 5.008 4.320 -0.001 0.000 0.255 1684 K C -0.764 175.887 176.600 0.085 0.000 0.952 1684 K CA -0.791 55.535 56.287 0.064 0.000 0.826 1684 K CB 2.508 35.034 32.500 0.044 0.000 1.331 1684 K HN -0.071 nan 8.250 nan 0.000 0.437 1685 A N 2.282 125.064 122.820 -0.064 0.000 2.366 1685 A HA 0.294 4.613 4.320 -0.001 0.000 0.250 1685 A C -1.578 175.809 177.584 -0.329 0.000 1.099 1685 A CA -0.541 51.345 52.037 -0.251 0.000 0.794 1685 A CB -0.380 18.180 19.000 -0.734 0.000 1.056 1685 A HN 0.430 nan 8.150 nan 0.000 0.499 1686 P HA 0.004 nan 4.420 nan 0.000 0.223 1686 P C -0.564 176.809 177.300 0.120 0.000 1.151 1686 P CA 1.216 64.161 63.100 -0.257 0.000 0.787 1686 P CB -0.156 31.375 31.700 -0.282 0.000 0.788 1687 Y N -1.769 118.661 120.300 0.215 0.000 2.409 1687 Y HA 0.561 5.110 4.550 -0.001 0.000 0.339 1687 Y C 0.378 176.325 175.900 0.079 0.000 1.033 1687 Y CA -1.986 56.205 58.100 0.152 0.000 1.094 1687 Y CB 0.598 39.058 38.460 -0.000 0.000 1.210 1687 Y HN -0.234 nan 8.280 nan 0.000 0.456 1688 E N 1.744 122.058 120.200 0.189 0.000 2.422 1688 E HA -0.055 4.294 4.350 -0.001 0.000 0.260 1688 E C -0.192 176.507 176.600 0.164 0.000 1.108 1688 E CA 0.004 56.475 56.400 0.118 0.000 0.943 1688 E CB 0.582 30.335 29.700 0.088 0.000 0.961 1688 E HN 0.712 nan 8.360 nan 0.000 0.443 1689 D N 1.055 121.516 120.400 0.102 0.000 2.144 1689 D HA -0.173 4.467 4.640 -0.001 0.000 0.200 1689 D C 1.809 178.138 176.300 0.047 0.000 0.978 1689 D CA 0.914 54.969 54.000 0.091 0.000 0.833 1689 D CB -0.165 40.661 40.800 0.043 0.000 0.961 1689 D HN 0.413 nan 8.370 nan 0.000 0.470 1690 R N 1.139 121.661 120.500 0.036 0.000 2.134 1690 R HA -0.200 4.139 4.340 -0.001 0.000 0.248 1690 R C 1.912 178.208 176.300 -0.006 0.000 1.143 1690 R CA 1.561 57.668 56.100 0.011 0.000 0.957 1690 R CB -0.532 29.780 30.300 0.020 0.000 0.867 1690 R HN 0.260 nan 8.270 nan 0.000 0.441 1691 I N 0.658 121.237 120.570 0.016 0.000 2.876 1691 I HA -0.118 4.051 4.170 -0.001 0.000 0.264 1691 I C 2.709 178.754 176.117 -0.120 0.000 1.204 1691 I CA 0.591 61.874 61.300 -0.027 0.000 1.485 1691 I CB -0.468 37.539 38.000 0.011 0.000 1.103 1691 I HN 0.332 nan 8.210 nan 0.000 0.446 1692 Q N 1.762 121.486 119.800 -0.128 0.000 2.047 1692 Q HA -0.276 4.064 4.340 -0.001 0.000 0.211 1692 Q C 2.262 177.998 176.000 -0.441 0.000 1.005 1692 Q CA 2.950 58.535 55.803 -0.363 0.000 0.866 1692 Q CB -0.081 28.487 28.738 -0.284 0.000 0.938 1692 Q HN 0.464 nan 8.270 nan 0.000 0.414 1693 S N 0.580 116.070 115.700 -0.351 0.000 2.374 1693 S HA -0.192 4.277 4.470 -0.001 0.000 0.227 1693 S C 1.755 176.264 174.600 -0.151 0.000 1.037 1693 S CA 1.661 59.685 58.200 -0.293 0.000 1.024 1693 S CB -0.221 62.863 63.200 -0.194 0.000 0.861 1693 S HN 0.378 nan 8.310 nan 0.000 0.456 1694 K N 0.722 121.043 120.400 -0.131 0.000 2.002 1694 K HA -0.052 4.268 4.320 -0.001 0.000 0.209 1694 K C 2.148 178.694 176.600 -0.090 0.000 1.048 1694 K CA 1.403 57.637 56.287 -0.089 0.000 0.930 1694 K CB -0.718 31.735 32.500 -0.079 0.000 0.714 1694 K HN 0.217 nan 8.250 nan 0.000 0.438 1695 V N 1.340 121.148 119.914 -0.177 0.000 2.324 1695 V HA -0.261 3.859 4.120 -0.001 0.000 0.250 1695 V C 2.117 178.140 176.094 -0.118 0.000 1.060 1695 V CA 1.861 63.978 62.300 -0.304 0.000 1.042 1695 V CB -0.706 30.668 31.823 -0.748 0.000 0.650 1695 V HN 0.215 nan 8.190 nan 0.000 0.450 1696 F N -0.752 118.992 119.950 -0.344 0.000 2.171 1696 F HA -0.126 4.401 4.527 -0.001 0.000 0.300 1696 F C 2.088 177.872 175.800 -0.027 0.000 1.090 1696 F CA 1.230 59.121 58.000 -0.183 0.000 1.293 1696 F CB -0.091 38.784 39.000 -0.209 0.000 1.013 1696 F HN 0.099 nan 8.300 nan 0.000 0.486 1697 L N -0.916 120.367 121.223 0.099 0.000 2.416 1697 L HA 0.006 4.345 4.340 -0.001 0.000 0.216 1697 L C 0.404 177.244 176.870 -0.049 0.000 1.098 1697 L CA -0.009 54.844 54.840 0.022 0.000 0.840 1697 L CB -0.218 41.841 42.059 0.000 0.000 0.981 1697 L HN -0.005 nan 8.230 nan 0.000 0.462 1698 N N 0.855 119.515 118.700 -0.067 0.000 2.462 1698 N HA 0.147 4.886 4.740 -0.001 0.000 0.242 1698 N C -2.121 173.230 175.510 -0.264 0.000 1.010 1698 N CA -2.212 50.770 53.050 -0.113 0.000 0.939 1698 N CB 1.373 39.823 38.487 -0.061 0.000 1.127 1698 N HN -0.181 nan 8.380 nan 0.000 0.509 1699 P HA -0.005 nan 4.420 nan 0.000 0.242 1699 P C 0.608 177.701 177.300 -0.344 0.000 1.197 1699 P CA 0.749 63.450 63.100 -0.666 0.000 0.765 1699 P CB 0.462 31.947 31.700 -0.359 0.000 0.936 1700 Q N -0.401 119.312 119.800 -0.144 0.000 2.259 1700 Q HA 0.056 4.396 4.340 -0.001 0.000 0.201 1700 Q C 0.810 176.861 176.000 0.084 0.000 0.938 1700 Q CA 0.464 56.260 55.803 -0.013 0.000 0.872 1700 Q CB -0.573 28.162 28.738 -0.005 0.000 0.971 1700 Q HN 0.295 nan 8.270 nan 0.000 0.494 1701 S N 1.881 117.639 115.700 0.097 0.000 2.784 1701 S HA 0.041 4.510 4.470 -0.001 0.000 0.322 1701 S C 0.109 174.949 174.600 0.401 0.000 1.234 1701 S CA 0.254 58.578 58.200 0.206 0.000 1.064 1701 S CB 0.407 63.673 63.200 0.110 0.000 0.787 1701 S HN 0.128 nan 8.310 nan 0.000 0.506 1702 R N 1.386 122.090 120.500 0.341 0.000 2.855 1702 R HA 0.611 4.950 4.340 -0.001 0.000 0.266 1702 R C -1.265 175.018 176.300 -0.028 0.000 1.034 1702 R CA -1.068 55.161 56.100 0.215 0.000 0.944 1702 R CB 1.684 32.049 30.300 0.107 0.000 1.219 1702 R HN 0.501 nan 8.270 nan 0.000 0.474 1703 V N 1.508 121.229 119.914 -0.320 0.000 2.509 1703 V HA 0.247 4.367 4.120 -0.001 0.000 0.284 1703 V C 0.258 176.236 176.094 -0.193 0.000 1.047 1703 V CA -0.114 61.924 62.300 -0.438 0.000 0.952 1703 V CB 1.575 33.039 31.823 -0.598 0.000 0.988 1703 V HN 0.903 nan 8.190 nan 0.000 0.469 1704 T N 2.953 117.431 114.554 -0.126 0.000 2.824 1704 T HA 0.452 4.801 4.350 -0.001 0.000 0.280 1704 T C -0.317 174.347 174.700 -0.060 0.000 0.995 1704 T CA -0.606 61.450 62.100 -0.073 0.000 1.009 1704 T CB 1.403 70.253 68.868 -0.031 0.000 0.955 1704 T HN 0.687 nan 8.240 nan 0.000 0.452 1705 Q N 1.886 121.654 119.800 -0.053 0.000 2.395 1705 Q HA 0.166 4.505 4.340 -0.001 0.000 0.271 1705 Q C -0.096 175.894 176.000 -0.017 0.000 1.026 1705 Q CA 0.272 56.054 55.803 -0.034 0.000 0.900 1705 Q CB 0.530 29.247 28.738 -0.034 0.000 1.266 1705 Q HN 0.747 nan 8.270 nan 0.000 0.430 1706 E N 0.445 120.642 120.200 -0.006 0.000 2.447 1706 E HA 0.181 4.531 4.350 -0.001 0.000 0.251 1706 E C 0.823 177.425 176.600 0.004 0.000 0.910 1706 E CA -0.031 56.371 56.400 0.003 0.000 0.841 1706 E CB 1.263 30.970 29.700 0.012 0.000 1.403 1706 E HN 0.769 nan 8.360 nan 0.000 0.400 1707 S N 0.432 116.137 115.700 0.009 0.000 2.423 1707 S HA -0.149 4.321 4.470 -0.001 0.000 0.231 1707 S C 1.037 175.642 174.600 0.008 0.000 1.014 1707 S CA 1.146 59.351 58.200 0.008 0.000 0.965 1707 S CB -0.415 62.791 63.200 0.010 0.000 0.785 1707 S HN 0.454 nan 8.310 nan 0.000 0.495 1708 N N 1.046 119.753 118.700 0.012 0.000 2.327 1708 N HA 0.347 5.086 4.740 -0.001 0.000 0.231 1708 N C 1.013 176.529 175.510 0.010 0.000 1.130 1708 N CA 0.281 53.339 53.050 0.012 0.000 0.845 1708 N CB -0.256 38.242 38.487 0.018 0.000 1.073 1708 N HN 0.421 nan 8.380 nan 0.000 0.496 1709 G N -0.581 108.222 108.800 0.005 0.000 2.212 1709 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.266 1709 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.266 1709 G C -0.179 174.721 174.900 0.001 0.000 0.978 1709 G CA 0.190 45.289 45.100 -0.002 0.000 0.632 1709 G HN 0.465 nan 8.290 nan 0.000 0.537 1710 E N 0.241 120.449 120.200 0.014 0.000 2.354 1710 E HA 0.395 4.744 4.350 -0.001 0.000 0.269 1710 E C 0.569 177.192 176.600 0.038 0.000 1.036 1710 E CA -0.388 56.033 56.400 0.035 0.000 0.876 1710 E CB 0.728 30.457 29.700 0.048 0.000 1.009 1710 E HN 0.311 nan 8.360 nan 0.000 0.416 1711 L N 3.739 125.011 121.223 0.081 0.000 2.278 1711 L HA 0.320 4.659 4.340 -0.001 0.000 0.287 1711 L C 0.328 177.205 176.870 0.012 0.000 1.072 1711 L CA 0.111 54.985 54.840 0.057 0.000 0.819 1711 L CB 0.283 42.419 42.059 0.129 0.000 1.176 1711 L HN 0.290 nan 8.230 nan 0.000 0.435 1712 K N 2.280 122.637 120.400 -0.072 0.000 2.480 1712 K HA 0.553 4.872 4.320 -0.001 0.000 0.258 1712 K C -0.913 175.596 176.600 -0.152 0.000 0.990 1712 K CA -0.775 55.465 56.287 -0.077 0.000 0.857 1712 K CB 2.477 34.990 32.500 0.023 0.000 1.384 1712 K HN 0.081 nan 8.250 nan 0.000 0.446 1713 F N 1.626 121.586 119.950 0.016 0.000 2.403 1713 F HA 0.259 4.785 4.527 -0.001 0.000 0.320 1713 F C -1.692 174.131 175.800 0.039 0.000 1.176 1713 F CA -1.238 56.787 58.000 0.041 0.000 1.206 1713 F CB 0.555 39.607 39.000 0.087 0.000 1.235 1713 F HN 0.242 nan 8.300 nan 0.000 0.565 1714 P HA 0.394 nan 4.420 nan 0.000 0.301 1714 P C -1.293 176.081 177.300 0.123 0.000 1.338 1714 P CA -0.464 62.718 63.100 0.138 0.000 0.834 1714 P CB 1.467 33.230 31.700 0.105 0.000 0.967 1715 A N 0.000 122.874 122.820 0.091 0.000 2.254 1715 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 1715 A CA 0.000 52.079 52.037 0.070 0.000 0.836 1715 A CB 0.000 19.037 19.000 0.062 0.000 0.831 1715 A HN 0.000 nan 8.150 nan 0.000 0.486