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_A 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 KDVIRALAMX XXXXXXXXXX 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 0.005 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 1.535 122.038 120.500 0.005 0.000 2.242 2 R HA 0.195 4.533 4.340 -0.004 0.000 0.334 2 R C -1.821 174.481 176.300 0.004 0.000 1.071 2 R CA -1.340 54.762 56.100 0.003 0.000 0.922 2 R CB 0.519 30.821 30.300 0.002 0.000 1.023 2 R HN -0.023 nan 8.270 nan 0.000 0.458 3 P HA -0.219 nan 4.420 nan 0.000 0.215 3 P C 0.381 177.683 177.300 0.003 0.000 1.157 3 P CA 1.443 64.546 63.100 0.005 0.000 0.874 3 P CB 0.242 31.944 31.700 0.003 0.000 0.790 4 E N -0.764 119.435 120.200 -0.002 0.000 2.204 4 E HA -0.097 4.250 4.350 -0.004 0.000 0.195 4 E C 1.904 178.499 176.600 -0.008 0.000 0.990 4 E CA 0.777 57.171 56.400 -0.009 0.000 0.821 4 E CB -0.699 28.994 29.700 -0.012 0.000 0.750 4 E HN 0.094 nan 8.360 nan 0.000 0.477 5 V N 1.677 121.590 119.914 -0.000 0.000 2.255 5 V HA -0.224 3.893 4.120 -0.004 0.000 0.243 5 V C 2.095 178.197 176.094 0.014 0.000 1.038 5 V CA 1.872 64.174 62.300 0.005 0.000 1.008 5 V CB -0.449 31.378 31.823 0.006 0.000 0.645 5 V HN 0.199 nan 8.190 nan 0.000 0.449 6 E N -0.386 119.823 120.200 0.016 0.000 2.130 6 E HA -0.309 4.039 4.350 -0.004 0.000 0.196 6 E C 2.292 178.914 176.600 0.036 0.000 0.998 6 E CA 1.519 57.934 56.400 0.024 0.000 0.806 6 E CB -0.147 29.564 29.700 0.019 0.000 0.738 6 E HN 0.612 nan 8.360 nan 0.000 0.459 7 Q N 0.583 120.401 119.800 0.029 0.000 1.948 7 Q HA -0.227 4.110 4.340 -0.004 0.000 0.205 7 Q C 2.114 178.157 176.000 0.070 0.000 0.992 7 Q CA 1.693 57.520 55.803 0.040 0.000 0.849 7 Q CB -0.144 28.597 28.738 0.005 0.000 0.918 7 Q HN 0.376 nan 8.270 nan 0.000 0.421 8 E N 0.331 120.547 120.200 0.027 0.000 2.209 8 E HA -0.190 4.158 4.350 -0.004 0.000 0.196 8 E C 2.091 178.768 176.600 0.129 0.000 0.993 8 E CA 0.692 57.118 56.400 0.043 0.000 0.819 8 E CB -0.106 29.587 29.700 -0.011 0.000 0.745 8 E HN 0.320 nan 8.360 nan 0.000 0.477 9 L N 0.596 121.873 121.223 0.089 0.000 1.993 9 L HA -0.102 4.236 4.340 -0.004 0.000 0.206 9 L C 2.678 179.603 176.870 0.092 0.000 1.074 9 L CA 0.962 55.850 54.840 0.080 0.000 0.746 9 L CB -0.539 41.549 42.059 0.048 0.000 0.896 9 L HN 0.112 nan 8.230 nan 0.000 0.435 10 A N -0.609 122.262 122.820 0.085 0.000 1.927 10 A HA -0.332 3.986 4.320 -0.004 0.000 0.220 10 A C 2.186 179.831 177.584 0.102 0.000 1.185 10 A CA 2.078 54.161 52.037 0.076 0.000 0.639 10 A CB -1.112 17.928 19.000 0.068 0.000 0.820 10 A HN 0.509 nan 8.150 nan 0.000 0.451 11 Y N 1.446 121.755 120.300 0.014 0.000 2.030 11 Y HA -0.274 4.274 4.550 -0.004 0.000 0.274 11 Y C 2.736 178.650 175.900 0.024 0.000 1.153 11 Y CA 2.880 60.991 58.100 0.017 0.000 1.115 11 Y CB -0.743 37.726 38.460 0.016 0.000 0.969 11 Y HN 0.345 nan 8.280 nan 0.000 0.488 12 T N 1.005 115.671 114.554 0.187 0.000 2.995 12 T HA -0.129 4.218 4.350 -0.004 0.000 0.269 12 T C 1.713 176.418 174.700 0.008 0.000 1.091 12 T CA 1.051 63.191 62.100 0.067 0.000 1.128 12 T CB -0.462 68.505 68.868 0.165 0.000 0.891 12 T HN 0.275 nan 8.240 nan 0.000 0.492 13 L N 1.209 122.445 121.223 0.022 0.000 2.027 13 L HA 0.109 4.446 4.340 -0.004 0.000 0.206 13 L C 2.139 179.000 176.870 -0.015 0.000 1.074 13 L CA 1.383 56.227 54.840 0.008 0.000 0.745 13 L CB -1.046 41.022 42.059 0.016 0.000 0.898 13 L HN 0.165 nan 8.230 nan 0.000 0.433 14 L N -0.771 120.428 121.223 -0.041 0.000 1.956 14 L HA -0.220 4.117 4.340 -0.004 0.000 0.216 14 L C 2.578 179.390 176.870 -0.098 0.000 1.073 14 L CA 2.288 57.087 54.840 -0.068 0.000 0.762 14 L CB -0.886 41.121 42.059 -0.088 0.000 0.889 14 L HN 0.193 nan 8.230 nan 0.000 0.433 15 V N 0.387 120.182 119.914 -0.200 0.000 2.278 15 V HA -0.309 3.808 4.120 -0.004 0.000 0.251 15 V C 2.691 178.761 176.094 -0.040 0.000 1.062 15 V CA 1.997 64.183 62.300 -0.191 0.000 1.038 15 V CB -0.653 30.980 31.823 -0.316 0.000 0.646 15 V HN 0.469 nan 8.190 nan 0.000 0.447 16 E N -0.108 120.102 120.200 0.018 0.000 2.028 16 E HA -0.134 4.213 4.350 -0.004 0.000 0.191 16 E C 2.263 178.973 176.600 0.183 0.000 0.988 16 E CA 1.057 57.548 56.400 0.151 0.000 0.799 16 E CB -0.514 29.258 29.700 0.120 0.000 0.755 16 E HN 0.517 nan 8.360 nan 0.000 0.447 17 L N 0.731 122.001 121.223 0.078 0.000 2.021 17 L HA -0.249 4.088 4.340 -0.004 0.000 0.215 17 L C 2.587 179.497 176.870 0.068 0.000 1.074 17 L CA 1.174 56.052 54.840 0.063 0.000 0.760 17 L CB -0.482 41.588 42.059 0.018 0.000 0.889 17 L HN 0.126 nan 8.230 nan 0.000 0.433 18 L N -1.251 119.986 121.223 0.024 0.000 2.005 18 L HA -0.175 4.163 4.340 -0.004 0.000 0.207 18 L C 2.905 179.773 176.870 -0.004 0.000 1.072 18 L CA 1.093 55.921 54.840 -0.021 0.000 0.744 18 L CB -0.995 41.031 42.059 -0.056 0.000 0.895 18 L HN 0.261 nan 8.230 nan 0.000 0.433 19 A N 0.111 122.959 122.820 0.046 0.000 1.869 19 A HA -0.286 4.032 4.320 -0.004 0.000 0.218 19 A C 1.979 179.612 177.584 0.083 0.000 1.203 19 A CA 2.051 54.118 52.037 0.049 0.000 0.638 19 A CB -1.223 17.768 19.000 -0.016 0.000 0.831 19 A HN 0.447 nan 8.150 nan 0.000 0.450 20 Y N -0.178 120.178 120.300 0.094 0.000 2.583 20 Y HA -0.042 4.505 4.550 -0.004 0.000 0.293 20 Y C 2.440 178.397 175.900 0.095 0.000 1.157 20 Y CA 0.899 59.064 58.100 0.107 0.000 1.315 20 Y CB -0.189 38.307 38.460 0.060 0.000 1.021 20 Y HN 0.488 nan 8.280 nan 0.000 0.536 21 Q N -0.122 119.768 119.800 0.149 0.000 2.135 21 Q HA -0.223 4.115 4.340 -0.004 0.000 0.204 21 Q C 1.518 177.548 176.000 0.051 0.000 0.981 21 Q CA 1.528 57.362 55.803 0.051 0.000 0.856 21 Q CB -0.291 28.414 28.738 -0.056 0.000 0.902 21 Q HN 0.434 nan 8.270 nan 0.000 0.425 22 F N 0.742 120.704 119.950 0.021 0.000 2.041 22 F HA -0.272 4.253 4.527 -0.004 0.000 0.296 22 F C 1.834 177.646 175.800 0.019 0.000 1.147 22 F CA 1.814 59.815 58.000 0.002 0.000 1.214 22 F CB -0.657 38.325 39.000 -0.030 0.000 0.947 22 F HN 0.148 nan 8.300 nan 0.000 0.511 23 A N -0.296 122.694 122.820 0.282 0.000 3.163 23 A HA 0.400 4.717 4.320 -0.004 0.000 0.283 23 A C -0.017 177.656 177.584 0.147 0.000 1.412 23 A CA 0.047 52.187 52.037 0.170 0.000 1.053 23 A CB -0.572 18.503 19.000 0.125 0.000 1.082 23 A HN 0.189 nan 8.150 nan 0.000 0.639 24 M N 0.825 120.503 119.600 0.131 0.000 2.206 24 M HA 0.318 4.796 4.480 -0.004 0.000 0.272 24 M C -2.982 173.365 176.300 0.077 0.000 1.012 24 M CA -1.960 53.401 55.300 0.103 0.000 0.986 24 M CB 1.618 34.288 32.600 0.116 0.000 1.740 24 M HN -0.002 nan 8.290 nan 0.000 0.472 25 P HA 0.091 nan 4.420 nan 0.000 0.266 25 P C -0.589 176.749 177.300 0.064 0.000 1.193 25 P CA -0.292 62.842 63.100 0.058 0.000 0.770 25 P CB 0.434 32.165 31.700 0.050 0.000 0.836 26 V N 4.264 124.220 119.914 0.070 0.000 2.353 26 V HA 0.167 4.284 4.120 -0.004 0.000 0.264 26 V C 1.197 177.371 176.094 0.133 0.000 1.049 26 V CA -0.402 61.958 62.300 0.099 0.000 0.896 26 V CB 0.018 31.894 31.823 0.088 0.000 1.025 26 V HN 0.482 nan 8.190 nan 0.000 0.475 27 R N 4.678 125.253 120.500 0.126 0.000 4.138 27 R HA 0.069 4.407 4.340 -0.004 0.000 0.206 27 R C 0.834 177.216 176.300 0.137 0.000 1.667 27 R CA -0.408 55.756 56.100 0.106 0.000 1.481 27 R CB 0.055 30.386 30.300 0.051 0.000 1.388 27 R HN 0.894 nan 8.270 nan 0.000 0.776 28 W N 2.409 123.709 121.300 0.000 0.000 2.699 28 W HA -0.027 4.630 4.660 -0.004 0.000 0.249 28 W C 0.786 177.306 176.519 0.002 0.000 1.280 28 W CA 0.457 57.801 57.345 -0.002 0.000 1.345 28 W CB 0.203 29.660 29.460 -0.004 0.000 1.128 28 W HN 0.365 nan 8.180 nan 0.000 0.642 29 I N 0.556 121.150 120.570 0.041 0.000 2.206 29 I HA -0.272 3.896 4.170 -0.004 0.000 0.239 29 I C 2.126 178.175 176.117 -0.113 0.000 1.078 29 I CA 1.385 62.667 61.300 -0.031 0.000 1.367 29 I CB -0.836 37.181 38.000 0.028 0.000 1.078 29 I HN -0.144 nan 8.210 nan 0.000 0.413 30 E N 0.822 120.977 120.200 -0.075 0.000 2.160 30 E HA -0.192 4.156 4.350 -0.004 0.000 0.195 30 E C 2.072 178.579 176.600 -0.155 0.000 0.991 30 E CA 1.838 58.188 56.400 -0.083 0.000 0.810 30 E CB -0.414 29.259 29.700 -0.046 0.000 0.742 30 E HN 0.494 nan 8.360 nan 0.000 0.466 31 T N 1.228 115.631 114.554 -0.251 0.000 2.770 31 T HA -0.140 4.208 4.350 -0.004 0.000 0.263 31 T C 1.886 176.275 174.700 -0.518 0.000 1.039 31 T CA 0.973 62.840 62.100 -0.389 0.000 1.142 31 T CB -0.126 68.428 68.868 -0.523 0.000 0.868 31 T HN 0.169 nan 8.240 nan 0.000 0.435 32 Q N 0.526 119.927 119.800 -0.665 0.000 2.170 32 Q HA -0.150 4.188 4.340 -0.004 0.000 0.203 32 Q C 1.777 177.602 176.000 -0.293 0.000 0.976 32 Q CA 1.426 56.911 55.803 -0.530 0.000 0.858 32 Q CB -0.145 28.326 28.738 -0.445 0.000 0.907 32 Q HN 0.493 nan 8.270 nan 0.000 0.433 33 D N -0.606 119.683 120.400 -0.185 0.000 2.234 33 D HA -0.082 4.555 4.640 -0.004 0.000 0.205 33 D C 1.721 177.971 176.300 -0.083 0.000 0.962 33 D CA 0.477 54.446 54.000 -0.051 0.000 0.855 33 D CB 0.154 40.965 40.800 0.018 0.000 0.951 33 D HN -0.006 nan 8.370 nan 0.000 0.500 34 V N 0.809 120.647 119.914 -0.127 0.000 2.626 34 V HA -0.157 3.960 4.120 -0.004 0.000 0.252 34 V C 2.160 178.184 176.094 -0.117 0.000 1.067 34 V CA 1.049 63.285 62.300 -0.106 0.000 1.081 34 V CB -0.228 31.528 31.823 -0.111 0.000 0.686 34 V HN 0.278 nan 8.190 nan 0.000 0.468 35 I N -0.892 119.578 120.570 -0.167 0.000 2.400 35 I HA -0.123 4.044 4.170 -0.004 0.000 0.248 35 I C 2.126 178.147 176.117 -0.160 0.000 1.109 35 I CA 1.382 62.588 61.300 -0.158 0.000 1.425 35 I CB -0.138 37.746 38.000 -0.194 0.000 1.094 35 I HN 0.261 nan 8.210 nan 0.000 0.425 36 L N 0.230 121.313 121.223 -0.234 0.000 2.209 36 L HA 0.027 4.364 4.340 -0.004 0.000 0.207 36 L C 2.526 179.260 176.870 -0.226 0.000 1.094 36 L CA 0.948 55.586 54.840 -0.338 0.000 0.790 36 L CB -0.368 41.242 42.059 -0.748 0.000 0.932 36 L HN 0.166 nan 8.230 nan 0.000 0.447 37 A N -0.656 122.098 122.820 -0.111 0.000 1.938 37 A HA 0.006 4.323 4.320 -0.004 0.000 0.207 37 A C 2.094 179.675 177.584 -0.005 0.000 1.292 37 A CA 0.236 52.248 52.037 -0.041 0.000 0.700 37 A CB -0.148 18.859 19.000 0.012 0.000 0.947 37 A HN 0.208 nan 8.150 nan 0.000 0.476 38 E N 0.041 120.230 120.200 -0.018 0.000 2.006 38 E HA -0.146 4.202 4.350 -0.004 0.000 0.192 38 E C 1.533 178.134 176.600 0.002 0.000 0.993 38 E CA 1.345 57.742 56.400 -0.005 0.000 0.808 38 E CB -0.104 29.583 29.700 -0.021 0.000 0.764 38 E HN 0.378 nan 8.360 nan 0.000 0.449 39 K N 0.226 120.615 120.400 -0.019 0.000 2.444 39 K HA 0.115 4.432 4.320 -0.004 0.000 0.193 39 K C -0.323 176.275 176.600 -0.004 0.000 1.024 39 K CA -0.091 56.189 56.287 -0.012 0.000 1.077 39 K CB 0.239 32.724 32.500 -0.024 0.000 0.833 39 K HN 0.013 nan 8.250 nan 0.000 0.517 40 R N 1.674 122.172 120.500 -0.003 0.000 3.109 40 R HA -0.143 4.194 4.340 -0.004 0.000 0.241 40 R C -0.590 175.710 176.300 0.000 0.000 0.882 40 R CA 0.852 56.962 56.100 0.017 0.000 0.604 40 R CB -2.257 28.092 30.300 0.082 0.000 1.040 40 R HN 0.338 nan 8.270 nan 0.000 0.480 41 T N -2.949 111.584 114.554 -0.034 0.000 2.901 41 T HA 0.119 4.467 4.350 -0.004 0.000 0.301 41 T C 1.201 175.889 174.700 -0.020 0.000 1.012 41 T CA -0.537 61.547 62.100 -0.027 0.000 1.135 41 T CB 1.506 70.349 68.868 -0.041 0.000 0.936 41 T HN 0.350 nan 8.240 nan 0.000 0.539 42 E N 2.125 122.323 120.200 -0.002 0.000 2.060 42 E HA 0.027 4.374 4.350 -0.004 0.000 0.189 42 E C 0.714 177.314 176.600 -0.000 0.000 0.974 42 E CA 0.512 56.915 56.400 0.005 0.000 0.808 42 E CB 0.209 29.920 29.700 0.019 0.000 0.768 42 E HN 0.548 nan 8.360 nan 0.000 0.453 43 R N 1.466 121.968 120.500 0.003 0.000 2.215 43 R HA 0.345 4.683 4.340 -0.004 0.000 0.336 43 R C -0.603 175.694 176.300 -0.006 0.000 0.996 43 R CA -0.181 55.919 56.100 -0.000 0.000 0.847 43 R CB 0.878 31.183 30.300 0.007 0.000 1.127 43 R HN 0.050 nan 8.270 nan 0.000 0.465 44 I N 3.806 124.370 120.570 -0.008 0.000 2.304 44 I HA 0.243 4.410 4.170 -0.004 0.000 0.291 44 I C -0.190 175.936 176.117 0.016 0.000 1.018 44 I CA -0.908 60.393 61.300 0.000 0.000 1.260 44 I CB 1.395 39.393 38.000 -0.004 0.000 1.390 44 I HN 0.171 nan 8.210 nan 0.000 0.475 45 V N 6.100 126.030 119.914 0.026 0.000 2.394 45 V HA 0.261 4.378 4.120 -0.004 0.000 0.282 45 V C 0.169 176.302 176.094 0.065 0.000 1.031 45 V CA -0.551 61.773 62.300 0.040 0.000 0.881 45 V CB 1.676 33.519 31.823 0.033 0.000 0.982 45 V HN 0.736 nan 8.190 nan 0.000 0.451 46 E N 4.620 124.866 120.200 0.078 0.000 2.175 46 E HA 0.572 4.920 4.350 -0.004 0.000 0.278 46 E C -1.310 175.349 176.600 0.099 0.000 0.969 46 E CA -0.600 55.850 56.400 0.082 0.000 0.796 46 E CB 1.402 31.145 29.700 0.071 0.000 1.104 46 E HN 0.623 nan 8.360 nan 0.000 0.395 47 I N 4.283 124.888 120.570 0.058 0.000 2.382 47 I HA 0.588 4.755 4.170 -0.004 0.000 0.286 47 I C 0.338 176.434 176.117 -0.034 0.000 1.002 47 I CA -0.309 61.000 61.300 0.015 0.000 1.135 47 I CB 1.581 39.557 38.000 -0.040 0.000 1.288 47 I HN 0.730 nan 8.210 nan 0.000 0.448 48 G N 6.374 115.156 108.800 -0.030 0.000 2.333 48 G HA2 0.197 4.154 3.960 -0.004 0.000 0.288 48 G HA3 0.197 4.154 3.960 -0.004 0.000 0.288 48 G C -2.844 172.061 174.900 0.009 0.000 1.286 48 G CA -0.392 44.684 45.100 -0.039 0.000 0.865 48 G HN 0.295 nan 8.290 nan 0.000 0.506 49 P HA 0.269 nan 4.420 nan 0.000 0.234 49 P C 0.408 177.722 177.300 0.023 0.000 1.175 49 P CA 0.658 63.769 63.100 0.018 0.000 0.801 49 P CB 0.538 32.236 31.700 -0.004 0.000 0.891 50 S N -0.186 115.520 115.700 0.011 0.000 2.661 50 S HA 0.292 4.760 4.470 -0.004 0.000 0.285 50 S C -0.908 173.698 174.600 0.009 0.000 1.138 50 S CA -0.726 57.478 58.200 0.008 0.000 0.855 50 S CB 1.221 64.416 63.200 -0.008 0.000 1.136 50 S HN 0.098 nan 8.310 nan 0.000 0.484 51 D N 0.952 121.357 120.400 0.010 0.000 2.896 51 D HA 0.082 4.720 4.640 -0.004 0.000 0.240 51 D C 1.195 177.494 176.300 -0.000 0.000 1.193 51 D CA -0.266 53.741 54.000 0.012 0.000 0.983 51 D CB -0.307 40.503 40.800 0.016 0.000 1.074 51 D HN 0.554 nan 8.370 nan 0.000 0.496 52 T N -1.612 112.931 114.554 -0.020 0.000 2.781 52 T HA -0.052 4.296 4.350 -0.004 0.000 0.252 52 T C 2.118 176.793 174.700 -0.042 0.000 1.039 52 T CA 0.145 62.221 62.100 -0.041 0.000 1.147 52 T CB -0.516 68.308 68.868 -0.073 0.000 0.865 52 T HN 0.237 nan 8.240 nan 0.000 0.423 53 L N 1.251 122.438 121.223 -0.059 0.000 2.275 53 L HA 0.136 4.474 4.340 -0.004 0.000 0.215 53 L C 2.978 179.900 176.870 0.086 0.000 1.119 53 L CA 0.972 55.805 54.840 -0.012 0.000 0.790 53 L CB -0.979 41.068 42.059 -0.020 0.000 0.919 53 L HN 0.520 nan 8.230 nan 0.000 0.443 54 G N 0.133 108.963 108.800 0.050 0.000 2.464 54 G HA2 -0.167 3.790 3.960 -0.004 0.000 0.214 54 G HA3 -0.167 3.790 3.960 -0.004 0.000 0.214 54 G C 1.570 176.499 174.900 0.048 0.000 1.218 54 G CA 0.654 45.786 45.100 0.052 0.000 0.794 54 G HN 0.434 nan 8.290 nan 0.000 0.542 55 G N 0.286 109.107 108.800 0.035 0.000 2.471 55 G HA2 -0.122 3.835 3.960 -0.004 0.000 0.219 55 G HA3 -0.122 3.835 3.960 -0.004 0.000 0.219 55 G C 1.756 176.685 174.900 0.048 0.000 1.125 55 G CA 0.985 46.104 45.100 0.033 0.000 0.775 55 G HN 0.414 nan 8.290 nan 0.000 0.548 56 M N 0.821 120.458 119.600 0.061 0.000 2.159 56 M HA 0.118 4.596 4.480 -0.004 0.000 0.263 56 M C 2.493 178.874 176.300 0.136 0.000 1.063 56 M CA 1.713 57.072 55.300 0.099 0.000 1.110 56 M CB 0.059 32.721 32.600 0.103 0.000 1.374 56 M HN 0.230 nan 8.290 nan 0.000 0.411 57 A N -0.583 122.313 122.820 0.127 0.000 2.178 57 A HA 0.057 4.375 4.320 -0.004 0.000 0.211 57 A C 1.972 179.574 177.584 0.031 0.000 1.157 57 A CA 0.426 52.512 52.037 0.083 0.000 0.780 57 A CB -0.351 18.696 19.000 0.077 0.000 0.828 57 A HN 0.511 nan 8.150 nan 0.000 0.476 58 R N -0.618 119.906 120.500 0.040 0.000 2.127 58 R HA 0.084 4.422 4.340 -0.004 0.000 0.217 58 R C 2.186 178.511 176.300 0.042 0.000 1.074 58 R CA 0.688 56.806 56.100 0.030 0.000 0.991 58 R CB -0.115 30.203 30.300 0.028 0.000 0.895 58 R HN 0.399 nan 8.270 nan 0.000 0.450 59 R N -0.053 120.478 120.500 0.052 0.000 2.090 59 R HA -0.058 4.280 4.340 -0.004 0.000 0.228 59 R C 2.081 178.426 176.300 0.075 0.000 1.110 59 R CA 1.844 57.980 56.100 0.058 0.000 0.973 59 R CB -0.241 30.094 30.300 0.058 0.000 0.869 59 R HN 0.292 nan 8.270 nan 0.000 0.440 60 T N -0.128 114.475 114.554 0.082 0.000 2.962 60 T HA -0.002 4.346 4.350 -0.004 0.000 0.270 60 T C 1.886 176.685 174.700 0.165 0.000 1.088 60 T CA 0.569 62.739 62.100 0.116 0.000 1.127 60 T CB -0.054 68.869 68.868 0.093 0.000 0.883 60 T HN 0.111 nan 8.240 nan 0.000 0.493 61 L N 0.168 121.440 121.223 0.082 0.000 2.240 61 L HA 0.010 4.348 4.340 -0.004 0.000 0.211 61 L C 2.797 179.750 176.870 0.138 0.000 1.106 61 L CA 1.234 56.128 54.840 0.090 0.000 0.793 61 L CB -0.371 41.699 42.059 0.017 0.000 0.927 61 L HN 0.404 nan 8.230 nan 0.000 0.446 62 Q N -0.830 119.031 119.800 0.102 0.000 2.107 62 Q HA -0.090 4.248 4.340 -0.004 0.000 0.195 62 Q C 2.281 178.327 176.000 0.078 0.000 0.964 62 Q CA 1.461 57.313 55.803 0.082 0.000 0.833 62 Q CB 0.030 28.803 28.738 0.057 0.000 0.910 62 Q HN 0.436 nan 8.270 nan 0.000 0.465 63 S N -0.158 115.587 115.700 0.075 0.000 2.522 63 S HA 0.024 4.492 4.470 -0.004 0.000 0.227 63 S C 1.509 176.125 174.600 0.027 0.000 0.986 63 S CA 0.681 58.910 58.200 0.049 0.000 0.929 63 S CB 0.223 63.449 63.200 0.044 0.000 0.769 63 S HN 0.145 nan 8.310 nan 0.000 0.529 64 K N -0.911 119.516 120.400 0.045 0.000 2.494 64 K HA 0.255 4.573 4.320 -0.004 0.000 0.201 64 K C 0.413 176.915 176.600 -0.163 0.000 1.338 64 K CA 0.218 56.444 56.287 -0.102 0.000 0.935 64 K CB 0.086 32.454 32.500 -0.221 0.000 1.514 64 K HN 0.311 nan 8.250 nan 0.000 0.490 65 Y N 2.214 122.509 120.300 -0.007 0.000 2.462 65 Y HA 0.016 4.564 4.550 -0.004 0.000 0.293 65 Y C 1.742 177.693 175.900 0.085 0.000 1.195 65 Y CA 0.162 58.274 58.100 0.019 0.000 1.276 65 Y CB -0.122 38.317 38.460 -0.036 0.000 1.082 65 Y HN 0.197 nan 8.280 nan 0.000 0.514 66 E N 1.727 122.015 120.200 0.148 0.000 2.019 66 E HA -0.283 4.064 4.350 -0.004 0.000 0.208 66 E C 2.262 178.931 176.600 0.114 0.000 1.030 66 E CA 2.217 58.684 56.400 0.112 0.000 0.856 66 E CB -0.400 29.340 29.700 0.066 0.000 0.781 66 E HN 0.295 nan 8.360 nan 0.000 0.471 67 A N -1.226 121.649 122.820 0.091 0.000 2.067 67 A HA -0.032 4.286 4.320 -0.004 0.000 0.217 67 A C 2.188 179.830 177.584 0.096 0.000 1.156 67 A CA 1.101 53.181 52.037 0.071 0.000 0.683 67 A CB -0.843 18.181 19.000 0.039 0.000 0.808 67 A HN 0.549 nan 8.150 nan 0.000 0.455 68 Y N 1.191 121.501 120.300 0.018 0.000 2.114 68 Y HA -0.270 4.277 4.550 -0.004 0.000 0.284 68 Y C 1.836 177.776 175.900 0.066 0.000 1.143 68 Y CA 2.226 60.346 58.100 0.033 0.000 1.135 68 Y CB -0.136 38.343 38.460 0.031 0.000 0.980 68 Y HN 0.344 nan 8.280 nan 0.000 0.499 69 D N 0.199 120.840 120.400 0.402 0.000 2.149 69 D HA -0.184 4.454 4.640 -0.004 0.000 0.198 69 D C 2.211 178.561 176.300 0.084 0.000 0.990 69 D CA 1.421 55.577 54.000 0.260 0.000 0.839 69 D CB -0.518 40.419 40.800 0.229 0.000 0.948 69 D HN 0.512 nan 8.370 nan 0.000 0.460 70 A N 0.665 123.523 122.820 0.065 0.000 1.898 70 A HA 0.001 4.319 4.320 -0.004 0.000 0.216 70 A C 2.261 179.832 177.584 -0.022 0.000 1.181 70 A CA 2.102 54.152 52.037 0.022 0.000 0.620 70 A CB -0.746 18.270 19.000 0.027 0.000 0.819 70 A HN 0.237 nan 8.150 nan 0.000 0.442 71 A N -0.951 121.832 122.820 -0.061 0.000 1.872 71 A HA -0.029 4.288 4.320 -0.004 0.000 0.214 71 A C 2.166 179.664 177.584 -0.143 0.000 1.187 71 A CA 2.041 54.015 52.037 -0.105 0.000 0.614 71 A CB -1.174 17.745 19.000 -0.134 0.000 0.826 71 A HN 0.421 nan 8.150 nan 0.000 0.442 72 T N 0.915 115.328 114.554 -0.235 0.000 3.113 72 T HA 0.069 4.417 4.350 -0.004 0.000 0.263 72 T C 0.987 175.635 174.700 -0.086 0.000 1.143 72 T CA 1.159 63.124 62.100 -0.224 0.000 1.090 72 T CB -0.599 68.038 68.868 -0.384 0.000 0.922 72 T HN 1.441 nan 8.240 nan 0.000 0.521 73 S N 0.026 115.697 115.700 -0.049 0.000 3.549 73 S HA -0.171 4.297 4.470 -0.004 0.000 0.366 73 S C 0.115 174.722 174.600 0.013 0.000 1.012 73 S CA -0.007 58.187 58.200 -0.010 0.000 1.141 73 S CB -2.756 60.437 63.200 -0.013 0.000 0.910 73 S HN 0.344 nan 8.310 nan 0.000 0.471 74 V N 2.064 122.001 119.914 0.039 0.000 2.455 74 V HA 0.256 4.374 4.120 -0.004 0.000 0.273 74 V C 0.894 177.023 176.094 0.057 0.000 1.045 74 V CA 0.002 62.344 62.300 0.070 0.000 0.976 74 V CB 1.115 33.026 31.823 0.148 0.000 0.993 74 V HN 0.678 nan 8.190 nan 0.000 0.475 75 Q N 5.350 125.174 119.800 0.041 0.000 2.274 75 Q HA 0.556 4.894 4.340 -0.004 0.000 0.256 75 Q C -0.450 175.565 176.000 0.025 0.000 0.927 75 Q CA -0.334 55.488 55.803 0.032 0.000 0.939 75 Q CB 1.699 30.453 28.738 0.026 0.000 1.201 75 Q HN 0.621 nan 8.270 nan 0.000 0.426 76 R N 1.716 122.227 120.500 0.019 0.000 2.750 76 R HA 0.405 4.743 4.340 -0.004 0.000 0.281 76 R C -1.029 175.273 176.300 0.003 0.000 0.972 76 R CA -0.689 55.413 56.100 0.004 0.000 0.912 76 R CB 2.152 32.445 30.300 -0.012 0.000 1.187 76 R HN 0.509 nan 8.270 nan 0.000 0.464 77 Q N 3.183 122.981 119.800 -0.003 0.000 2.295 77 Q HA 0.344 4.681 4.340 -0.004 0.000 0.259 77 Q C -1.492 174.505 176.000 -0.005 0.000 0.966 77 Q CA -0.370 55.432 55.803 -0.001 0.000 0.763 77 Q CB 1.478 30.217 28.738 0.001 0.000 1.283 77 Q HN 0.599 nan 8.270 nan 0.000 0.445 78 I N 5.391 125.960 120.570 -0.002 0.000 2.312 78 I HA 0.351 4.519 4.170 -0.004 0.000 0.290 78 I C -0.609 175.511 176.117 0.005 0.000 1.008 78 I CA -0.530 60.772 61.300 0.004 0.000 1.226 78 I CB 0.930 38.935 38.000 0.009 0.000 1.371 78 I HN 0.462 nan 8.210 nan 0.000 0.468 79 L N 6.342 127.570 121.223 0.008 0.000 2.341 79 L HA 0.494 4.832 4.340 -0.004 0.000 0.278 79 L C -0.309 176.579 176.870 0.031 0.000 1.005 79 L CA -0.605 54.239 54.840 0.006 0.000 0.818 79 L CB 2.059 44.110 42.059 -0.014 0.000 1.259 79 L HN 0.632 nan 8.230 nan 0.000 0.418 80 C N 1.375 120.694 119.300 0.032 0.000 2.351 80 C HA 0.268 4.726 4.460 -0.004 0.000 0.359 80 C C 1.509 176.554 174.990 0.091 0.000 1.193 80 C CA -0.368 58.689 59.018 0.066 0.000 2.270 80 C CB 0.897 28.667 27.740 0.051 0.000 2.369 80 C HN 0.862 nan 8.230 nan 0.000 0.553 81 Y N 1.676 121.986 120.300 0.018 0.000 2.314 81 Y HA 0.002 4.550 4.550 -0.004 0.000 0.293 81 Y C 2.190 178.103 175.900 0.022 0.000 1.129 81 Y CA 2.190 60.311 58.100 0.035 0.000 1.201 81 Y CB -0.254 38.229 38.460 0.040 0.000 0.999 81 Y HN 0.848 nan 8.280 nan 0.000 0.541 82 C N 0.659 120.036 119.300 0.128 0.000 3.440 82 C HA -0.128 4.330 4.460 -0.004 0.000 0.294 82 C C 2.556 177.528 174.990 -0.030 0.000 1.261 82 C CA 1.172 60.216 59.018 0.044 0.000 1.783 82 C CB -1.083 26.692 27.740 0.059 0.000 2.126 82 C HN 0.444 nan 8.230 nan 0.000 0.460 83 K N 1.076 121.469 120.400 -0.011 0.000 2.020 83 K HA -0.152 4.166 4.320 -0.004 0.000 0.212 83 K C 0.594 177.167 176.600 -0.044 0.000 1.050 83 K CA 1.611 57.884 56.287 -0.023 0.000 0.929 83 K CB -0.444 32.051 32.500 -0.009 0.000 0.714 83 K HN 0.591 nan 8.250 nan 0.000 0.443 84 D N 0.383 120.756 120.400 -0.045 0.000 2.889 84 D HA 0.148 4.785 4.640 -0.004 0.000 0.243 84 D C 0.862 177.105 176.300 -0.095 0.000 1.270 84 D CA 0.058 54.024 54.000 -0.056 0.000 0.838 84 D CB 0.642 41.420 40.800 -0.037 0.000 1.040 84 D HN 0.179 nan 8.370 nan 0.000 0.480 85 A N 0.955 123.690 122.820 -0.143 0.000 1.933 85 A HA -0.214 4.104 4.320 -0.004 0.000 0.218 85 A C 2.151 179.639 177.584 -0.160 0.000 1.175 85 A CA 1.132 53.023 52.037 -0.243 0.000 0.628 85 A CB -0.040 18.773 19.000 -0.312 0.000 0.814 85 A HN 0.113 nan 8.150 nan 0.000 0.444 86 K N -0.380 119.950 120.400 -0.117 0.000 2.062 86 K HA -0.102 4.216 4.320 -0.004 0.000 0.205 86 K C 1.801 178.376 176.600 -0.043 0.000 1.051 86 K CA 1.398 57.640 56.287 -0.075 0.000 0.941 86 K CB -0.187 32.275 32.500 -0.062 0.000 0.719 86 K HN 0.652 nan 8.250 nan 0.000 0.440 87 E N 0.874 121.028 120.200 -0.076 0.000 2.268 87 E HA -0.124 4.224 4.350 -0.004 0.000 0.195 87 E C 1.894 178.325 176.600 -0.283 0.000 0.995 87 E CA 0.538 56.856 56.400 -0.136 0.000 0.836 87 E CB -0.019 29.620 29.700 -0.103 0.000 0.763 87 E HN 0.216 nan 8.360 nan 0.000 0.491 88 I N 0.245 120.716 120.570 -0.166 0.000 2.202 88 I HA -0.245 3.923 4.170 -0.004 0.000 0.242 88 I C 1.597 177.533 176.117 -0.302 0.000 1.091 88 I CA 1.608 62.785 61.300 -0.205 0.000 1.368 88 I CB -0.768 37.219 38.000 -0.022 0.000 1.058 88 I HN 0.174 nan 8.210 nan 0.000 0.410 89 Y N -0.804 119.360 120.300 -0.227 0.000 2.470 89 Y HA 0.050 4.601 4.550 0.001 0.000 0.284 89 Y C -0.123 175.794 175.900 0.028 0.000 1.188 89 Y CA -0.532 57.520 58.100 -0.080 0.000 1.269 89 Y CB -0.334 38.099 38.460 -0.045 0.000 1.094 89 Y HN 0.022 nan 8.280 nan 0.000 0.518 90 Y N 0.104 120.464 120.300 0.100 0.000 3.001 90 Y HA -0.288 4.259 4.550 -0.004 0.000 0.199 90 Y C -0.286 175.651 175.900 0.061 0.000 1.320 90 Y CA 0.286 58.420 58.100 0.057 0.000 0.974 90 Y CB -1.538 36.941 38.460 0.032 0.000 1.291 90 Y HN 0.191 nan 8.280 nan 0.000 0.465 91 D N 0.762 121.246 120.400 0.139 0.000 2.453 91 D HA 0.650 5.287 4.640 -0.004 0.000 0.238 91 D C -0.902 175.432 176.300 0.056 0.000 1.088 91 D CA -0.267 53.787 54.000 0.090 0.000 0.854 91 D CB 0.819 41.648 40.800 0.049 0.000 1.076 91 D HN 0.010 nan 8.370 nan 0.000 0.533 92 V N 2.587 122.537 119.914 0.060 0.000 2.876 92 V HA 0.465 4.583 4.120 -0.004 0.000 0.312 92 V C -0.000 176.111 176.094 0.030 0.000 1.085 92 V CA -1.021 61.303 62.300 0.041 0.000 0.945 92 V CB 2.133 33.986 31.823 0.051 0.000 1.017 92 V HN 0.346 nan 8.190 nan 0.000 0.428 93 E N 2.638 122.849 120.200 0.019 0.000 2.266 93 E HA 0.621 4.968 4.350 -0.004 0.000 0.277 93 E C -2.108 174.501 176.600 0.014 0.000 1.018 93 E CA -1.087 55.321 56.400 0.014 0.000 0.840 93 E CB 0.776 30.481 29.700 0.008 0.000 1.082 93 E HN 0.609 nan 8.360 nan 0.000 0.395 326 D N 2.567 122.969 120.400 0.004 0.000 2.350 326 D HA 0.038 4.676 4.640 -0.004 0.000 0.216 326 D C 1.734 178.036 176.300 0.004 0.000 0.968 326 D CA 1.360 55.363 54.000 0.005 0.000 0.894 326 D CB 0.222 41.025 40.800 0.004 0.000 0.909 326 D HN 0.444 nan 8.370 nan 0.000 0.520 327 A N 0.294 123.115 122.820 0.001 0.000 1.997 327 A HA 0.100 4.417 4.320 -0.004 0.000 0.212 327 A C 2.133 179.715 177.584 -0.004 0.000 1.178 327 A CA -0.014 52.022 52.037 -0.002 0.000 0.698 327 A CB -0.384 18.614 19.000 -0.004 0.000 0.842 327 A HN 0.123 nan 8.150 nan 0.000 0.458 328 L N 0.465 121.687 121.223 -0.002 0.000 2.456 328 L HA -0.099 4.239 4.340 -0.004 0.000 0.224 328 L C 2.373 179.244 176.870 0.001 0.000 1.148 328 L CA 1.618 56.457 54.840 -0.003 0.000 0.825 328 L CB -0.075 41.984 42.059 -0.001 0.000 0.937 328 L HN 0.664 nan 8.230 nan 0.000 0.450 329 T N -6.382 108.175 114.554 0.006 0.000 2.969 329 T HA 0.032 4.380 4.350 -0.004 0.000 0.250 329 T C 1.692 176.402 174.700 0.016 0.000 1.021 329 T CA -0.295 61.815 62.100 0.017 0.000 1.003 329 T CB 0.084 68.968 68.868 0.026 0.000 1.040 329 T HN 0.022 nan 8.240 nan 0.000 0.492 330 K N 1.266 121.670 120.400 0.007 0.000 2.442 330 K HA -0.034 4.284 4.320 -0.004 0.000 0.198 330 K C 1.299 177.893 176.600 -0.010 0.000 1.042 330 K CA 1.079 57.368 56.287 0.004 0.000 0.958 330 K CB -0.005 32.495 32.500 0.001 0.000 0.766 330 K HN 0.412 nan 8.250 nan 0.000 0.474 331 D N 0.519 120.905 120.400 -0.023 0.000 2.137 331 D HA -0.127 4.510 4.640 -0.004 0.000 0.202 331 D C 1.906 178.154 176.300 -0.087 0.000 0.970 331 D CA 0.798 54.768 54.000 -0.050 0.000 0.837 331 D CB 0.087 40.855 40.800 -0.053 0.000 0.981 331 D HN 0.161 nan 8.370 nan 0.000 0.475 332 Q N 1.097 120.855 119.800 -0.069 0.000 1.985 332 Q HA -0.150 4.188 4.340 -0.004 0.000 0.207 332 Q C 2.345 178.318 176.000 -0.046 0.000 0.996 332 Q CA 1.225 56.967 55.803 -0.101 0.000 0.851 332 Q CB -0.445 28.330 28.738 0.062 0.000 0.921 332 Q HN 0.362 nan 8.270 nan 0.000 0.418 333 R N 0.467 121.015 120.500 0.079 0.000 2.094 333 R HA -0.178 4.160 4.340 -0.004 0.000 0.239 333 R C 2.389 178.729 176.300 0.066 0.000 1.137 333 R CA 1.461 57.636 56.100 0.125 0.000 0.943 333 R CB -0.726 29.621 30.300 0.078 0.000 0.850 333 R HN 0.305 nan 8.270 nan 0.000 0.433 334 A N 1.706 124.528 122.820 0.003 0.000 1.884 334 A HA -0.225 4.093 4.320 -0.004 0.000 0.219 334 A C 2.179 179.731 177.584 -0.054 0.000 1.197 334 A CA 1.692 53.718 52.037 -0.019 0.000 0.637 334 A CB -0.725 18.255 19.000 -0.033 0.000 0.827 334 A HN 0.299 nan 8.150 nan 0.000 0.450 335 L N -1.256 119.875 121.223 -0.152 0.000 2.043 335 L HA -0.143 4.194 4.340 -0.004 0.000 0.212 335 L C 2.200 178.936 176.870 -0.223 0.000 1.075 335 L CA 2.081 56.760 54.840 -0.268 0.000 0.752 335 L CB -0.789 40.967 42.059 -0.506 0.000 0.891 335 L HN 0.424 nan 8.230 nan 0.000 0.432 336 F N -0.692 119.254 119.950 -0.008 0.000 2.335 336 F HA -0.056 4.468 4.527 -0.004 0.000 0.296 336 F C 2.489 178.285 175.800 -0.007 0.000 1.091 336 F CA 0.827 58.822 58.000 -0.008 0.000 1.399 336 F CB -0.156 38.839 39.000 -0.009 0.000 1.067 336 F HN 0.030 nan 8.300 nan 0.000 0.520 337 K N 0.592 121.090 120.400 0.164 0.000 2.097 337 K HA -0.211 4.107 4.320 -0.004 0.000 0.206 337 K C 1.955 178.595 176.600 0.067 0.000 1.049 337 K CA 1.477 57.821 56.287 0.094 0.000 0.933 337 K CB -0.047 32.488 32.500 0.058 0.000 0.717 337 K HN 0.300 nan 8.250 nan 0.000 0.442 338 Q N -0.159 119.668 119.800 0.045 0.000 2.046 338 Q HA -0.181 4.157 4.340 -0.004 0.000 0.200 338 Q C 2.235 178.260 176.000 0.042 0.000 0.975 338 Q CA 1.089 56.908 55.803 0.026 0.000 0.836 338 Q CB -0.058 28.679 28.738 -0.002 0.000 0.896 338 Q HN 0.332 nan 8.270 nan 0.000 0.428 339 Q N 0.784 120.624 119.800 0.067 0.000 2.062 339 Q HA -0.222 4.115 4.340 -0.004 0.000 0.209 339 Q C 2.216 178.263 176.000 0.079 0.000 0.996 339 Q CA 1.383 57.242 55.803 0.093 0.000 0.859 339 Q CB -0.512 28.351 28.738 0.208 0.000 0.920 339 Q HN 0.434 nan 8.270 nan 0.000 0.415 340 L N 0.906 122.181 121.223 0.087 0.000 2.042 340 L HA -0.219 4.119 4.340 -0.004 0.000 0.210 340 L C 2.336 179.236 176.870 0.050 0.000 1.076 340 L CA 1.346 56.222 54.840 0.061 0.000 0.749 340 L CB -0.169 41.923 42.059 0.055 0.000 0.893 340 L HN 0.207 nan 8.230 nan 0.000 0.432 341 E N 0.389 120.617 120.200 0.047 0.000 2.051 341 E HA -0.251 4.096 4.350 -0.004 0.000 0.192 341 E C 2.116 178.744 176.600 0.047 0.000 0.991 341 E CA 2.047 58.471 56.400 0.040 0.000 0.799 341 E CB -0.373 29.346 29.700 0.032 0.000 0.748 341 E HN 0.771 nan 8.360 nan 0.000 0.449 342 I N -1.658 118.940 120.570 0.047 0.000 2.676 342 I HA -0.091 4.076 4.170 -0.004 0.000 0.259 342 I C 2.282 178.447 176.117 0.079 0.000 1.194 342 I CA 0.770 62.102 61.300 0.054 0.000 1.473 342 I CB -0.317 37.704 38.000 0.035 0.000 1.096 342 I HN -0.076 nan 8.210 nan 0.000 0.443 343 I N 2.002 122.614 120.570 0.070 0.000 2.233 343 I HA -0.151 4.017 4.170 -0.004 0.000 0.243 343 I C 3.088 179.287 176.117 0.136 0.000 1.093 343 I CA 1.188 62.544 61.300 0.093 0.000 1.380 343 I CB -0.625 37.410 38.000 0.059 0.000 1.067 343 I HN 0.276 nan 8.210 nan 0.000 0.413 344 A N 1.279 124.152 122.820 0.087 0.000 1.884 344 A HA -0.306 4.011 4.320 -0.004 0.000 0.219 344 A C 2.451 180.080 177.584 0.075 0.000 1.197 344 A CA 2.303 54.382 52.037 0.070 0.000 0.637 344 A CB -0.882 18.145 19.000 0.045 0.000 0.827 344 A HN 0.373 nan 8.150 nan 0.000 0.450 345 R N -2.100 118.448 120.500 0.079 0.000 2.117 345 R HA -0.226 4.112 4.340 -0.004 0.000 0.243 345 R C 2.076 178.431 176.300 0.092 0.000 1.143 345 R CA 2.120 58.262 56.100 0.070 0.000 0.968 345 R CB -0.496 29.845 30.300 0.068 0.000 0.863 345 R HN 0.674 nan 8.270 nan 0.000 0.444 346 Y N 0.711 121.016 120.300 0.007 0.000 2.242 346 Y HA -0.059 4.488 4.550 -0.004 0.000 0.291 346 Y C 1.524 177.427 175.900 0.005 0.000 1.137 346 Y CA 1.378 59.481 58.100 0.006 0.000 1.181 346 Y CB 0.022 38.486 38.460 0.007 0.000 0.989 346 Y HN 0.032 nan 8.280 nan 0.000 0.527 347 L N 0.698 121.936 121.223 0.026 0.000 2.599 347 L HA -0.029 4.309 4.340 -0.004 0.000 0.230 347 L C 0.358 177.182 176.870 -0.078 0.000 1.141 347 L CA 0.387 55.189 54.840 -0.063 0.000 0.877 347 L CB -0.363 41.726 42.059 0.050 0.000 1.009 347 L HN 0.031 nan 8.230 nan 0.000 0.447 348 K N 1.253 121.615 120.400 -0.062 0.000 3.244 348 K HA -0.174 4.144 4.320 -0.004 0.000 0.270 348 K C -0.391 176.195 176.600 -0.023 0.000 1.016 348 K CA 1.064 57.323 56.287 -0.047 0.000 0.754 348 K CB -1.727 30.729 32.500 -0.074 0.000 1.326 348 K HN 0.548 nan 8.250 nan 0.000 0.465 349 M N -1.498 118.100 119.600 -0.003 0.000 2.267 349 M HA 0.397 4.874 4.480 -0.004 0.000 0.289 349 M C -0.560 175.745 176.300 0.009 0.000 1.043 349 M CA -0.962 54.339 55.300 0.002 0.000 0.928 349 M CB 2.280 34.883 32.600 0.005 0.000 1.613 349 M HN -0.112 nan 8.290 nan 0.000 0.450 350 D N 3.482 123.886 120.400 0.007 0.000 2.358 350 D HA 0.244 4.882 4.640 -0.004 0.000 0.258 350 D C 0.597 176.903 176.300 0.010 0.000 1.223 350 D CA -0.099 53.907 54.000 0.009 0.000 0.886 350 D CB 1.018 41.823 40.800 0.009 0.000 1.120 350 D HN 0.828 nan 8.370 nan 0.000 0.482 351 L N 3.310 124.539 121.223 0.010 0.000 2.131 351 L HA -0.021 4.316 4.340 -0.004 0.000 0.206 351 L C 1.838 178.710 176.870 0.004 0.000 1.087 351 L CA 0.665 55.510 54.840 0.008 0.000 0.767 351 L CB -0.120 41.944 42.059 0.008 0.000 0.917 351 L HN 0.223 nan 8.230 nan 0.000 0.441 352 R N 0.186 120.689 120.500 0.005 0.000 2.320 352 R HA 0.155 4.492 4.340 -0.004 0.000 0.211 352 R C 1.992 178.300 176.300 0.013 0.000 0.931 352 R CA 0.522 56.624 56.100 0.004 0.000 1.071 352 R CB -0.254 30.048 30.300 0.004 0.000 1.025 352 R HN 0.205 nan 8.270 nan 0.000 0.495 353 A N 0.028 122.857 122.820 0.015 0.000 2.019 353 A HA -0.064 4.253 4.320 -0.004 0.000 0.219 353 A C 2.142 179.746 177.584 0.033 0.000 1.164 353 A CA 1.717 53.767 52.037 0.022 0.000 0.644 353 A CB -0.685 18.325 19.000 0.017 0.000 0.805 353 A HN 0.429 nan 8.150 nan 0.000 0.449 354 G N -0.243 108.574 108.800 0.029 0.000 2.395 354 G HA2 -0.151 3.806 3.960 -0.004 0.000 0.214 354 G HA3 -0.151 3.806 3.960 -0.004 0.000 0.214 354 G C 1.134 176.076 174.900 0.069 0.000 1.177 354 G CA 0.937 46.064 45.100 0.044 0.000 0.794 354 G HN 0.526 nan 8.290 nan 0.000 0.532 355 D N 0.788 121.203 120.400 0.025 0.000 2.178 355 D HA -0.067 4.570 4.640 -0.004 0.000 0.201 355 D C 2.291 178.655 176.300 0.106 0.000 0.980 355 D CA 0.703 54.710 54.000 0.012 0.000 0.842 355 D CB 0.027 40.799 40.800 -0.047 0.000 0.948 355 D HN 0.300 nan 8.370 nan 0.000 0.472 356 K N 0.979 121.426 120.400 0.079 0.000 2.001 356 K HA -0.051 4.267 4.320 -0.004 0.000 0.208 356 K C 2.271 178.931 176.600 0.101 0.000 1.048 356 K CA 1.004 57.339 56.287 0.080 0.000 0.932 356 K CB -0.131 32.398 32.500 0.047 0.000 0.715 356 K HN -0.007 nan 8.250 nan 0.000 0.437 357 A N 0.996 123.872 122.820 0.094 0.000 2.019 357 A HA -0.161 4.156 4.320 -0.004 0.000 0.219 357 A C 1.933 179.582 177.584 0.109 0.000 1.164 357 A CA 1.047 53.131 52.037 0.079 0.000 0.644 357 A CB -0.630 18.407 19.000 0.062 0.000 0.805 357 A HN 0.410 nan 8.150 nan 0.000 0.449 358 F N 0.157 120.106 119.950 -0.001 0.000 2.098 358 F HA -0.116 4.408 4.527 -0.005 0.000 0.294 358 F C 2.149 177.948 175.800 -0.000 0.000 1.107 358 F CA 1.868 59.867 58.000 -0.001 0.000 1.234 358 F CB -0.334 38.666 39.000 -0.001 0.000 1.002 358 F HN 0.004 nan 8.300 nan 0.000 0.472 359 V N 1.164 121.311 119.914 0.387 0.000 2.317 359 V HA -0.403 3.715 4.120 -0.004 0.000 0.251 359 V C 2.764 178.855 176.094 -0.004 0.000 1.065 359 V CA 1.981 64.399 62.300 0.196 0.000 1.049 359 V CB -1.500 30.434 31.823 0.185 0.000 0.651 359 V HN 0.589 nan 8.190 nan 0.000 0.450 360 A N 0.091 122.914 122.820 0.006 0.000 1.851 360 A HA -0.262 4.056 4.320 -0.004 0.000 0.216 360 A C 2.590 180.130 177.584 -0.073 0.000 1.195 360 A CA 2.694 54.718 52.037 -0.023 0.000 0.622 360 A CB -1.017 17.982 19.000 -0.001 0.000 0.831 360 A HN 0.695 nan 8.150 nan 0.000 0.444 361 S N -0.983 114.648 115.700 -0.115 0.000 2.423 361 S HA -0.174 4.294 4.470 -0.004 0.000 0.231 361 S C 1.819 176.304 174.600 -0.191 0.000 1.014 361 S CA 1.370 59.487 58.200 -0.138 0.000 0.965 361 S CB -0.450 62.665 63.200 -0.143 0.000 0.785 361 S HN 0.599 nan 8.310 nan 0.000 0.495 362 Q N -0.115 119.508 119.800 -0.295 0.000 2.472 362 Q HA 0.069 4.406 4.340 -0.004 0.000 0.208 362 Q C 1.585 177.500 176.000 -0.141 0.000 0.958 362 Q CA 0.519 56.148 55.803 -0.290 0.000 0.932 362 Q CB 0.067 28.521 28.738 -0.474 0.000 1.007 362 Q HN 0.637 nan 8.270 nan 0.000 0.508 363 E N -0.414 119.727 120.200 -0.099 0.000 2.127 363 E HA 0.006 4.353 4.350 -0.004 0.000 0.191 363 E C 1.862 178.434 176.600 -0.046 0.000 0.964 363 E CA 0.486 56.855 56.400 -0.053 0.000 0.832 363 E CB 0.204 29.884 29.700 -0.032 0.000 0.790 363 E HN 0.097 nan 8.360 nan 0.000 0.465 364 S N 1.326 116.995 115.700 -0.052 0.000 2.447 364 S HA -0.112 4.356 4.470 -0.004 0.000 0.233 364 S C 1.698 176.273 174.600 -0.042 0.000 1.006 364 S CA 0.587 58.763 58.200 -0.040 0.000 0.957 364 S CB -0.046 63.131 63.200 -0.038 0.000 0.773 364 S HN 0.235 nan 8.310 nan 0.000 0.507 365 Q N 0.189 119.952 119.800 -0.061 0.000 2.482 365 Q HA 0.085 4.422 4.340 -0.004 0.000 0.209 365 Q C 1.462 177.439 176.000 -0.039 0.000 0.961 365 Q CA 0.554 56.323 55.803 -0.057 0.000 0.945 365 Q CB 0.139 28.824 28.738 -0.088 0.000 1.012 365 Q HN 0.455 nan 8.270 nan 0.000 0.515 366 K N -1.312 119.069 120.400 -0.032 0.000 2.306 366 K HA 0.159 4.476 4.320 -0.004 0.000 0.200 366 K C 1.836 178.431 176.600 -0.008 0.000 1.083 366 K CA 0.599 56.875 56.287 -0.019 0.000 0.959 366 K CB 0.260 32.749 32.500 -0.019 0.000 0.994 366 K HN 0.023 nan 8.250 nan 0.000 0.492 367 A N 1.755 124.570 122.820 -0.009 0.000 2.019 367 A HA -0.120 4.197 4.320 -0.004 0.000 0.219 367 A C 1.969 179.559 177.584 0.009 0.000 1.164 367 A CA 1.110 53.146 52.037 -0.002 0.000 0.644 367 A CB -0.494 18.504 19.000 -0.004 0.000 0.805 367 A HN 0.121 nan 8.150 nan 0.000 0.449 368 L N -1.382 119.845 121.223 0.006 0.000 1.950 368 L HA -0.212 4.125 4.340 -0.004 0.000 0.210 368 L C 2.821 179.709 176.870 0.031 0.000 1.079 368 L CA 2.132 56.982 54.840 0.018 0.000 0.754 368 L CB -0.928 41.133 42.059 0.002 0.000 0.889 368 L HN 0.485 nan 8.230 nan 0.000 0.433 369 Q N -0.119 119.692 119.800 0.018 0.000 2.325 369 Q HA -0.213 4.125 4.340 -0.004 0.000 0.211 369 Q C 1.910 177.929 176.000 0.032 0.000 0.988 369 Q CA 1.825 57.643 55.803 0.025 0.000 0.887 369 Q CB -0.119 28.625 28.738 0.010 0.000 0.915 369 Q HN 0.502 nan 8.270 nan 0.000 0.440 370 A N 0.055 122.889 122.820 0.023 0.000 1.845 370 A HA -0.265 4.052 4.320 -0.004 0.000 0.215 370 A C 2.051 179.651 177.584 0.027 0.000 1.195 370 A CA 1.678 53.725 52.037 0.017 0.000 0.616 370 A CB -0.825 18.179 19.000 0.006 0.000 0.832 370 A HN 0.561 nan 8.150 nan 0.000 0.443 371 Q N -1.011 118.815 119.800 0.043 0.000 2.084 371 Q HA -0.162 4.176 4.340 -0.004 0.000 0.202 371 Q C 2.087 178.184 176.000 0.162 0.000 0.978 371 Q CA 1.568 57.408 55.803 0.063 0.000 0.844 371 Q CB -0.221 28.574 28.738 0.095 0.000 0.898 371 Q HN 0.560 nan 8.270 nan 0.000 0.426 372 L N 1.305 122.641 121.223 0.187 0.000 2.043 372 L HA -0.232 4.106 4.340 -0.004 0.000 0.212 372 L C 1.540 178.530 176.870 0.200 0.000 1.075 372 L CA 2.006 56.988 54.840 0.236 0.000 0.752 372 L CB -0.314 41.814 42.059 0.115 0.000 0.891 372 L HN 0.178 nan 8.230 nan 0.000 0.432 373 D N -1.052 119.413 120.400 0.108 0.000 2.264 373 D HA -0.155 4.483 4.640 -0.004 0.000 0.208 373 D C 1.999 178.340 176.300 0.067 0.000 0.966 373 D CA 0.927 54.973 54.000 0.076 0.000 0.864 373 D CB -0.052 40.772 40.800 0.040 0.000 0.933 373 D HN 0.287 nan 8.370 nan 0.000 0.499 374 L N -0.614 120.630 121.223 0.036 0.000 1.973 374 L HA -0.081 4.256 4.340 -0.004 0.000 0.208 374 L C 1.878 178.746 176.870 -0.002 0.000 1.073 374 L CA 1.696 56.502 54.840 -0.056 0.000 0.746 374 L CB -0.913 41.026 42.059 -0.200 0.000 0.891 374 L HN 0.078 nan 8.230 nan 0.000 0.433 375 W N -0.114 121.211 121.300 0.041 0.000 2.304 375 W HA -0.281 4.376 4.660 -0.004 0.000 0.315 375 W C 2.711 179.288 176.519 0.098 0.000 1.233 375 W CA 1.323 58.698 57.345 0.051 0.000 1.261 375 W CB -0.606 28.828 29.460 -0.044 0.000 1.150 375 W HN 0.232 nan 8.180 nan 0.000 0.494 376 Q N -0.205 119.775 119.800 0.300 0.000 2.152 376 Q HA -0.197 4.141 4.340 -0.004 0.000 0.206 376 Q C 2.272 178.360 176.000 0.146 0.000 0.985 376 Q CA 2.030 57.946 55.803 0.189 0.000 0.863 376 Q CB -0.995 27.818 28.738 0.125 0.000 0.904 376 Q HN 0.425 nan 8.270 nan 0.000 0.422 377 A N 0.509 123.395 122.820 0.110 0.000 1.903 377 A HA -0.080 4.237 4.320 -0.004 0.000 0.213 377 A C 1.889 179.485 177.584 0.020 0.000 1.185 377 A CA 0.759 52.825 52.037 0.048 0.000 0.628 377 A CB -0.076 18.932 19.000 0.014 0.000 0.830 377 A HN 0.140 nan 8.150 nan 0.000 0.446 378 E N -0.582 119.642 120.200 0.040 0.000 2.347 378 E HA -0.118 4.229 4.350 -0.004 0.000 0.196 378 E C 1.071 177.477 176.600 -0.324 0.000 1.008 378 E CA 1.167 57.499 56.400 -0.113 0.000 0.852 378 E CB -0.100 29.534 29.700 -0.110 0.000 0.783 378 E HN 0.848 nan 8.360 nan 0.000 0.505 379 H N -1.739 117.287 119.070 -0.074 0.000 2.926 379 H HA 0.346 4.899 4.556 -0.004 0.000 0.249 379 H C 0.799 176.089 175.328 -0.065 0.000 0.963 379 H CA 0.567 56.500 56.048 -0.192 0.000 1.158 379 H CB 1.085 30.700 29.762 -0.245 0.000 1.445 379 H HN 0.195 nan 8.280 nan 0.000 0.452 380 G N 0.643 109.528 108.800 0.142 0.000 2.746 380 G HA2 -0.239 3.719 3.960 -0.004 0.000 0.685 380 G HA3 -0.239 3.719 3.960 -0.004 0.000 0.685 380 G C -0.135 174.860 174.900 0.158 0.000 1.350 380 G CA 0.001 45.172 45.100 0.118 0.000 0.837 380 G HN 0.216 nan 8.290 nan 0.000 0.564 381 D N -0.301 120.166 120.400 0.111 0.000 2.091 381 D HA -0.046 4.591 4.640 -0.004 0.000 0.199 381 D C 2.739 179.099 176.300 0.099 0.000 0.980 381 D CA 1.582 55.638 54.000 0.093 0.000 0.831 381 D CB -0.085 40.750 40.800 0.058 0.000 0.987 381 D HN 0.504 nan 8.370 nan 0.000 0.460 382 I N 0.008 120.637 120.570 0.099 0.000 2.286 382 I HA -0.275 3.893 4.170 -0.004 0.000 0.248 382 I C 2.399 178.577 176.117 0.102 0.000 1.115 382 I CA 0.953 62.301 61.300 0.080 0.000 1.392 382 I CB -0.405 37.640 38.000 0.075 0.000 1.065 382 I HN 0.003 nan 8.210 nan 0.000 0.418 383 Y N 1.809 122.133 120.300 0.041 0.000 2.200 383 Y HA -0.194 4.353 4.550 -0.004 0.000 0.290 383 Y C 2.604 178.516 175.900 0.021 0.000 1.137 383 Y CA 1.334 59.465 58.100 0.051 0.000 1.163 383 Y CB -0.175 38.352 38.460 0.112 0.000 0.988 383 Y HN 0.094 nan 8.280 nan 0.000 0.518 384 A N 0.791 123.759 122.820 0.247 0.000 1.883 384 A HA -0.208 4.109 4.320 -0.004 0.000 0.217 384 A C 2.413 179.979 177.584 -0.030 0.000 1.186 384 A CA 2.149 54.254 52.037 0.112 0.000 0.624 384 A CB -1.598 17.466 19.000 0.107 0.000 0.822 384 A HN 0.626 nan 8.150 nan 0.000 0.444 385 A N -0.641 122.167 122.820 -0.021 0.000 1.883 385 A HA 0.090 4.408 4.320 -0.004 0.000 0.217 385 A C 2.387 179.905 177.584 -0.110 0.000 1.186 385 A CA 1.964 53.967 52.037 -0.056 0.000 0.624 385 A CB -1.402 17.580 19.000 -0.030 0.000 0.822 385 A HN 0.866 nan 8.150 nan 0.000 0.444 386 G N 0.135 108.849 108.800 -0.143 0.000 2.559 386 G HA2 0.046 4.003 3.960 -0.004 0.000 0.216 386 G HA3 0.046 4.003 3.960 -0.004 0.000 0.216 386 G C 1.189 175.919 174.900 -0.284 0.000 1.126 386 G CA 0.960 45.942 45.100 -0.197 0.000 0.778 386 G HN 0.809 nan 8.290 nan 0.000 0.543 387 I N -2.213 118.156 120.570 -0.334 0.000 3.875 387 I HA 0.353 4.520 4.170 -0.004 0.000 0.329 387 I C -0.106 175.871 176.117 -0.235 0.000 1.295 387 I CA -0.341 60.760 61.300 -0.332 0.000 1.129 387 I CB 0.278 38.038 38.000 -0.400 0.000 1.008 387 I HN -0.110 nan 8.210 nan 0.000 0.413 388 E N 3.895 123.979 120.200 -0.194 0.000 2.223 388 E HA 0.273 4.620 4.350 -0.004 0.000 0.282 388 E C -2.188 174.319 176.600 -0.156 0.000 1.046 388 E CA -1.959 54.346 56.400 -0.159 0.000 0.857 388 E CB 0.320 29.944 29.700 -0.128 0.000 1.055 388 E HN 0.121 nan 8.360 nan 0.000 0.409 389 P HA -0.090 nan 4.420 nan 0.000 0.266 389 P C -0.294 176.946 177.300 -0.100 0.000 1.193 389 P CA 0.433 63.460 63.100 -0.121 0.000 0.770 389 P CB 0.721 32.368 31.700 -0.088 0.000 0.836 390 A N 2.406 125.183 122.820 -0.072 0.000 2.664 390 A HA 0.189 4.506 4.320 -0.004 0.000 0.222 390 A C -0.025 177.555 177.584 -0.007 0.000 1.320 390 A CA -0.082 51.920 52.037 -0.060 0.000 1.029 390 A CB -0.378 18.584 19.000 -0.063 0.000 1.318 390 A HN 0.472 nan 8.150 nan 0.000 0.589 391 F N 1.598 121.502 119.950 -0.078 0.000 2.427 391 F HA 0.565 5.089 4.527 -0.004 0.000 0.352 391 F C -0.608 175.122 175.800 -0.118 0.000 1.100 391 F CA -0.439 57.535 58.000 -0.043 0.000 1.191 391 F CB 0.746 39.785 39.000 0.066 0.000 1.128 391 F HN 0.077 nan 8.300 nan 0.000 0.533 392 D N 8.313 128.051 120.400 -1.103 0.000 2.470 392 D HA 0.272 4.910 4.640 -0.004 0.000 0.233 392 D C -2.091 173.595 176.300 -1.024 0.000 1.372 392 D CA -1.961 51.494 54.000 -0.910 0.000 0.994 392 D CB 1.916 42.416 40.800 -0.499 0.000 1.377 392 D HN 0.195 nan 8.370 nan 0.000 0.586 393 P HA -0.133 nan 4.420 nan 0.000 0.219 393 P C 1.391 178.394 177.300 -0.496 0.000 1.144 393 P CA 0.815 63.398 63.100 -0.861 0.000 0.806 393 P CB 0.435 31.845 31.700 -0.483 0.000 0.771 394 L N -1.151 119.836 121.223 -0.392 0.000 2.341 394 L HA 0.033 4.371 4.340 -0.004 0.000 0.214 394 L C 2.118 178.838 176.870 -0.250 0.000 1.115 394 L CA 1.096 55.782 54.840 -0.256 0.000 0.820 394 L CB -0.683 41.250 42.059 -0.211 0.000 0.944 394 L HN -0.120 nan 8.230 nan 0.000 0.452 395 K N 0.666 120.863 120.400 -0.339 0.000 2.404 395 K HA 0.245 4.562 4.320 -0.004 0.000 0.194 395 K C 0.696 177.231 176.600 -0.108 0.000 1.023 395 K CA -0.211 55.891 56.287 -0.309 0.000 1.094 395 K CB 0.353 32.479 32.500 -0.623 0.000 0.841 395 K HN 0.160 nan 8.250 nan 0.000 0.523 396 A N 1.532 124.238 122.820 -0.190 0.000 2.450 396 A HA 0.272 4.589 4.320 -0.004 0.000 0.255 396 A C -0.298 177.233 177.584 -0.088 0.000 1.096 396 A CA -0.054 51.910 52.037 -0.122 0.000 0.778 396 A CB 0.256 19.132 19.000 -0.207 0.000 1.031 396 A HN 0.087 nan 8.150 nan 0.000 0.494 397 R N 1.492 121.915 120.500 -0.128 0.000 2.343 397 R HA 0.529 4.866 4.340 -0.004 0.000 0.320 397 R C -1.139 174.813 176.300 -0.580 0.000 0.956 397 R CA -0.594 55.305 56.100 -0.335 0.000 0.836 397 R CB 1.474 31.556 30.300 -0.363 0.000 1.151 397 R HN 0.412 nan 8.270 nan 0.000 0.450 398 V N 5.560 125.153 119.914 -0.535 0.000 2.370 398 V HA 0.386 4.504 4.120 -0.004 0.000 0.283 398 V C -0.976 174.765 176.094 -0.589 0.000 1.023 398 V CA -0.626 61.391 62.300 -0.473 0.000 0.857 398 V CB 0.918 32.614 31.823 -0.211 0.000 0.985 398 V HN 0.564 nan 8.190 nan 0.000 0.443 399 Y N 3.461 123.622 120.300 -0.231 0.000 2.328 399 Y HA 0.519 5.066 4.550 -0.004 0.000 0.337 399 Y C 0.521 175.990 175.900 -0.718 0.000 0.966 399 Y CA -1.401 56.452 58.100 -0.411 0.000 1.136 399 Y CB 1.435 39.586 38.460 -0.515 0.000 1.170 399 Y HN 0.842 nan 8.280 nan 0.000 0.470 400 D N -1.436 118.820 120.400 -0.241 0.000 2.475 400 D HA -0.014 4.623 4.640 -0.004 0.000 0.306 400 D C 0.095 176.556 176.300 0.268 0.000 1.304 400 D CA -0.056 53.941 54.000 -0.006 0.000 0.862 400 D CB -0.120 40.714 40.800 0.055 0.000 1.306 400 D HN 0.223 nan 8.370 nan 0.000 0.494 401 S N 0.654 116.487 115.700 0.221 0.000 4.069 401 S HA 0.175 4.642 4.470 -0.004 0.000 0.192 401 S C 1.538 175.908 174.600 -0.384 0.000 1.441 401 S CA 0.333 58.391 58.200 -0.237 0.000 0.994 401 S CB -0.703 62.173 63.200 -0.539 0.000 1.456 401 S HN 0.373 nan 8.310 nan 0.000 0.458 402 S N 3.388 119.104 115.700 0.026 0.000 2.383 402 S HA -0.122 4.346 4.470 -0.004 0.000 0.227 402 S C 2.014 176.520 174.600 -0.157 0.000 1.026 402 S CA 0.662 58.870 58.200 0.014 0.000 0.981 402 S CB -0.846 62.401 63.200 0.078 0.000 0.818 402 S HN 0.953 nan 8.310 nan 0.000 0.472 403 W N 2.338 123.599 121.300 -0.064 0.000 2.325 403 W HA -0.151 4.507 4.660 -0.004 0.000 0.299 403 W C 1.960 178.376 176.519 -0.171 0.000 1.215 403 W CA 1.116 58.404 57.345 -0.094 0.000 1.244 403 W CB -1.231 28.178 29.460 -0.085 0.000 1.140 403 W HN 0.445 nan 8.180 nan 0.000 0.523 404 N N 0.471 118.597 118.700 -0.957 0.000 2.220 404 N HA -0.130 4.608 4.740 -0.004 0.000 0.182 404 N C 1.700 176.875 175.510 -0.557 0.000 1.023 404 N CA 1.435 53.922 53.050 -0.939 0.000 0.856 404 N CB -0.839 36.545 38.487 -1.838 0.000 0.997 404 N HN 0.237 nan 8.380 nan 0.000 0.429 405 W N 1.787 122.924 121.300 -0.272 0.000 2.387 405 W HA -0.040 4.618 4.660 -0.004 0.000 0.272 405 W C 2.456 178.915 176.519 -0.100 0.000 1.224 405 W CA 0.221 57.467 57.345 -0.165 0.000 1.210 405 W CB -0.119 29.240 29.460 -0.167 0.000 1.125 405 W HN 0.163 nan 8.180 nan 0.000 0.572 406 A N 1.758 124.620 122.820 0.071 0.000 1.824 406 A HA -0.230 4.087 4.320 -0.004 0.000 0.215 406 A C 1.911 179.558 177.584 0.106 0.000 1.209 406 A CA 1.964 54.050 52.037 0.083 0.000 0.614 406 A CB -1.050 17.996 19.000 0.077 0.000 0.852 406 A HN 0.292 nan 8.150 nan 0.000 0.447 407 R N -0.314 120.215 120.500 0.047 0.000 2.185 407 R HA -0.232 4.105 4.340 -0.004 0.000 0.247 407 R C 2.447 178.824 176.300 0.128 0.000 1.159 407 R CA 1.763 57.872 56.100 0.016 0.000 0.988 407 R CB -0.424 29.540 30.300 -0.560 0.000 0.871 407 R HN 0.841 nan 8.270 nan 0.000 0.458 408 Q N 1.206 121.054 119.800 0.080 0.000 1.994 408 Q HA -0.173 4.164 4.340 -0.004 0.000 0.198 408 Q C 1.064 177.157 176.000 0.156 0.000 0.976 408 Q CA 1.955 57.840 55.803 0.138 0.000 0.828 408 Q CB 0.033 28.889 28.738 0.197 0.000 0.894 408 Q HN 0.211 nan 8.270 nan 0.000 0.432 409 D N 0.369 120.852 120.400 0.138 0.000 2.218 409 D HA -0.106 4.532 4.640 -0.004 0.000 0.204 409 D C 1.504 177.876 176.300 0.121 0.000 0.976 409 D CA 1.149 55.210 54.000 0.101 0.000 0.853 409 D CB -0.077 40.764 40.800 0.069 0.000 0.939 409 D HN 0.446 nan 8.370 nan 0.000 0.481 410 A N 0.576 123.493 122.820 0.162 0.000 1.821 410 A HA -0.106 4.212 4.320 -0.004 0.000 0.215 410 A C 2.123 179.813 177.584 0.178 0.000 1.214 410 A CA 1.000 53.144 52.037 0.179 0.000 0.608 410 A CB -1.148 18.009 19.000 0.262 0.000 0.862 410 A HN 0.291 nan 8.150 nan 0.000 0.448 411 L N -0.194 121.164 121.223 0.225 0.000 2.129 411 L HA -0.195 4.143 4.340 -0.004 0.000 0.212 411 L C 2.642 179.676 176.870 0.273 0.000 1.087 411 L CA 2.080 57.005 54.840 0.141 0.000 0.757 411 L CB -0.202 41.980 42.059 0.205 0.000 0.896 411 L HN 0.474 nan 8.230 nan 0.000 0.434 412 S N -0.615 115.218 115.700 0.222 0.000 2.368 412 S HA -0.276 4.192 4.470 -0.004 0.000 0.225 412 S C 2.053 176.779 174.600 0.210 0.000 1.030 412 S CA 1.703 60.021 58.200 0.197 0.000 0.999 412 S CB -0.273 62.991 63.200 0.108 0.000 0.844 412 S HN 0.585 nan 8.310 nan 0.000 0.459 413 M N -0.263 119.435 119.600 0.164 0.000 2.132 413 M HA -0.099 4.379 4.480 -0.004 0.000 0.263 413 M C 1.875 178.263 176.300 0.147 0.000 1.065 413 M CA 1.859 57.234 55.300 0.124 0.000 1.122 413 M CB -0.497 32.152 32.600 0.081 0.000 1.365 413 M HN 0.598 nan 8.290 nan 0.000 0.411 414 Y N 0.297 120.603 120.300 0.009 0.000 2.002 414 Y HA -0.408 4.140 4.550 -0.004 0.000 0.268 414 Y C 1.794 177.633 175.900 -0.102 0.000 1.177 414 Y CA 2.564 60.602 58.100 -0.103 0.000 1.111 414 Y CB -0.767 37.561 38.460 -0.220 0.000 0.952 414 Y HN 0.277 nan 8.280 nan 0.000 0.491 415 Y N 0.476 121.067 120.300 0.485 0.000 2.274 415 Y HA -0.240 4.308 4.550 -0.004 0.000 0.290 415 Y C 2.367 178.477 175.900 0.350 0.000 1.145 415 Y CA 1.332 59.702 58.100 0.451 0.000 1.203 415 Y CB -0.551 38.164 38.460 0.426 0.000 0.984 415 Y HN 0.231 nan 8.280 nan 0.000 0.533 416 D N 0.315 120.913 120.400 0.331 0.000 2.133 416 D HA -0.210 4.428 4.640 -0.004 0.000 0.195 416 D C 2.135 178.518 176.300 0.139 0.000 0.997 416 D CA 1.454 55.571 54.000 0.195 0.000 0.840 416 D CB -0.325 40.538 40.800 0.105 0.000 0.947 416 D HN 0.340 nan 8.370 nan 0.000 0.452 417 I N 0.629 121.220 120.570 0.035 0.000 2.202 417 I HA -0.196 3.972 4.170 -0.004 0.000 0.242 417 I C 2.271 178.309 176.117 -0.131 0.000 1.091 417 I CA 0.593 61.851 61.300 -0.071 0.000 1.368 417 I CB -0.044 37.855 38.000 -0.168 0.000 1.058 417 I HN -0.038 nan 8.210 nan 0.000 0.410 418 I N -0.117 120.302 120.570 -0.252 0.000 2.657 418 I HA -0.278 3.890 4.170 -0.004 0.000 0.261 418 I C 1.511 177.334 176.117 -0.490 0.000 1.212 418 I CA 1.631 62.610 61.300 -0.535 0.000 1.453 418 I CB -0.307 37.198 38.000 -0.825 0.000 1.092 418 I HN 0.195 nan 8.210 nan 0.000 0.452 419 F N -0.194 119.716 119.950 -0.067 0.000 2.706 419 F HA 0.325 4.850 4.527 -0.004 0.000 0.308 419 F C 1.774 177.566 175.800 -0.014 0.000 1.095 419 F CA 0.494 58.488 58.000 -0.009 0.000 1.244 419 F CB 0.456 39.474 39.000 0.030 0.000 1.063 419 F HN 0.092 nan 8.300 nan 0.000 0.582 420 G N 0.773 109.639 108.800 0.110 0.000 2.143 420 G HA2 -0.338 3.620 3.960 -0.004 0.000 0.249 420 G HA3 -0.338 3.620 3.960 -0.004 0.000 0.249 420 G C 1.284 176.219 174.900 0.059 0.000 0.981 420 G CA 0.445 45.578 45.100 0.054 0.000 0.665 420 G HN 0.336 nan 8.290 nan 0.000 0.528 421 R N -0.779 119.771 120.500 0.085 0.000 2.105 421 R HA 0.107 4.445 4.340 -0.004 0.000 0.239 421 R C 1.162 177.475 176.300 0.023 0.000 1.135 421 R CA 0.971 57.098 56.100 0.044 0.000 0.967 421 R CB -0.061 30.262 30.300 0.039 0.000 0.861 421 R HN 0.429 nan 8.270 nan 0.000 0.442 422 L N 1.732 122.970 121.223 0.024 0.000 2.280 422 L HA 0.340 4.677 4.340 -0.004 0.000 0.287 422 L C -0.278 176.587 176.870 -0.008 0.000 1.023 422 L CA -0.460 54.382 54.840 0.003 0.000 0.819 422 L CB 1.567 43.626 42.059 -0.000 0.000 1.212 422 L HN 0.082 nan 8.230 nan 0.000 0.420 423 R N 1.820 122.314 120.500 -0.010 0.000 2.540 423 R HA 0.289 4.627 4.340 -0.004 0.000 0.287 423 R C 1.059 177.347 176.300 -0.020 0.000 0.980 423 R CA -0.722 55.368 56.100 -0.016 0.000 0.966 423 R CB 1.999 32.293 30.300 -0.011 0.000 1.106 423 R HN 0.419 nan 8.270 nan 0.000 0.480 424 V N 1.413 121.313 119.914 -0.024 0.000 2.453 424 V HA -0.250 3.867 4.120 -0.004 0.000 0.252 424 V C 2.155 178.237 176.094 -0.020 0.000 1.068 424 V CA 1.542 63.827 62.300 -0.025 0.000 1.070 424 V CB -0.972 30.835 31.823 -0.026 0.000 0.664 424 V HN 0.609 nan 8.190 nan 0.000 0.461 425 V N -0.050 119.853 119.914 -0.018 0.000 2.221 425 V HA -0.256 3.861 4.120 -0.004 0.000 0.244 425 V C 0.870 176.954 176.094 -0.016 0.000 1.043 425 V CA 1.471 63.761 62.300 -0.016 0.000 0.996 425 V CB -1.035 30.779 31.823 -0.015 0.000 0.636 425 V HN 0.541 nan 8.190 nan 0.000 0.454 426 D N 0.897 121.287 120.400 -0.016 0.000 4.262 426 D HA -0.139 4.499 4.640 -0.004 0.000 0.186 426 D C 1.374 177.663 176.300 -0.017 0.000 1.090 426 D CA 0.411 54.401 54.000 -0.017 0.000 0.711 426 D CB 0.140 40.931 40.800 -0.016 0.000 1.194 426 D HN 0.176 nan 8.370 nan 0.000 0.627 427 R N 2.684 123.174 120.500 -0.017 0.000 2.154 427 R HA -0.180 4.158 4.340 -0.004 0.000 0.248 427 R C 1.703 177.989 176.300 -0.022 0.000 1.155 427 R CA 0.872 56.962 56.100 -0.018 0.000 0.979 427 R CB -0.107 30.184 30.300 -0.015 0.000 0.869 427 R HN 0.551 nan 8.270 nan 0.000 0.452 428 E N 0.660 120.847 120.200 -0.022 0.000 2.082 428 E HA -0.238 4.110 4.350 -0.004 0.000 0.215 428 E C 2.078 178.665 176.600 -0.022 0.000 1.048 428 E CA 1.800 58.186 56.400 -0.023 0.000 0.869 428 E CB -0.442 29.245 29.700 -0.021 0.000 0.773 428 E HN 0.388 nan 8.360 nan 0.000 0.466 429 I N 0.621 121.180 120.570 -0.018 0.000 2.185 429 I HA -0.308 3.860 4.170 -0.004 0.000 0.246 429 I C 2.558 178.664 176.117 -0.017 0.000 1.088 429 I CA 1.007 62.298 61.300 -0.016 0.000 1.347 429 I CB -0.879 37.110 38.000 -0.018 0.000 1.041 429 I HN -0.052 nan 8.210 nan 0.000 0.415 430 V N 0.877 120.778 119.914 -0.021 0.000 2.219 430 V HA -0.342 3.776 4.120 -0.004 0.000 0.248 430 V C 2.648 178.726 176.094 -0.028 0.000 1.053 430 V CA 2.524 64.809 62.300 -0.024 0.000 1.009 430 V CB -0.943 30.863 31.823 -0.028 0.000 0.636 430 V HN 0.413 nan 8.190 nan 0.000 0.445 431 S N -0.699 114.981 115.700 -0.034 0.000 2.380 431 S HA -0.371 4.096 4.470 -0.004 0.000 0.229 431 S C 1.974 176.558 174.600 -0.027 0.000 1.050 431 S CA 2.223 60.400 58.200 -0.038 0.000 1.100 431 S CB -0.551 62.624 63.200 -0.042 0.000 0.984 431 S HN 0.661 nan 8.310 nan 0.000 0.434 432 Q N -0.207 119.580 119.800 -0.021 0.000 2.077 432 Q HA -0.198 4.140 4.340 -0.004 0.000 0.206 432 Q C 2.592 178.590 176.000 -0.002 0.000 0.989 432 Q CA 1.738 57.535 55.803 -0.011 0.000 0.853 432 Q CB -0.669 28.067 28.738 -0.004 0.000 0.907 432 Q HN 0.589 nan 8.270 nan 0.000 0.418 433 C N 0.451 119.750 119.300 -0.002 0.000 2.413 433 C HA -0.145 4.313 4.460 -0.004 0.000 0.277 433 C C 2.611 177.603 174.990 0.003 0.000 1.265 433 C CA 0.542 59.563 59.018 0.004 0.000 1.752 433 C CB -1.042 26.697 27.740 -0.002 0.000 1.998 433 C HN 0.458 nan 8.230 nan 0.000 0.489 434 I N 0.210 120.775 120.570 -0.009 0.000 2.315 434 I HA -0.214 3.954 4.170 -0.004 0.000 0.248 434 I C 2.550 178.665 176.117 -0.003 0.000 1.117 434 I CA 1.450 62.743 61.300 -0.011 0.000 1.404 434 I CB -0.713 37.271 38.000 -0.026 0.000 1.071 434 I HN 0.315 nan 8.210 nan 0.000 0.419 435 Q N 0.936 120.733 119.800 -0.005 0.000 2.172 435 Q HA -0.040 4.297 4.340 -0.004 0.000 0.200 435 Q C 2.234 178.239 176.000 0.008 0.000 0.964 435 Q CA 1.271 57.071 55.803 -0.005 0.000 0.855 435 Q CB -0.073 28.652 28.738 -0.021 0.000 0.918 435 Q HN 0.523 nan 8.270 nan 0.000 0.444 436 I N -0.309 120.274 120.570 0.020 0.000 2.286 436 I HA -0.278 3.890 4.170 -0.004 0.000 0.248 436 I C 2.036 178.178 176.117 0.041 0.000 1.115 436 I CA 0.995 62.320 61.300 0.041 0.000 1.392 436 I CB -0.294 37.738 38.000 0.054 0.000 1.065 436 I HN 0.296 nan 8.210 nan 0.000 0.418 437 M N 0.168 119.784 119.600 0.027 0.000 2.159 437 M HA -0.169 4.308 4.480 -0.004 0.000 0.263 437 M C 1.963 178.277 176.300 0.025 0.000 1.063 437 M CA 1.533 56.848 55.300 0.025 0.000 1.110 437 M CB -0.702 31.906 32.600 0.013 0.000 1.374 437 M HN 0.275 nan 8.290 nan 0.000 0.411 438 N N 1.218 119.930 118.700 0.019 0.000 2.166 438 N HA -0.091 4.646 4.740 -0.004 0.000 0.186 438 N C 0.311 175.837 175.510 0.027 0.000 1.019 438 N CA 1.020 54.081 53.050 0.018 0.000 0.856 438 N CB -0.150 38.343 38.487 0.011 0.000 0.993 438 N HN 0.415 nan 8.380 nan 0.000 0.426 439 R N 0.486 121.005 120.500 0.032 0.000 3.171 439 R HA 0.335 4.673 4.340 -0.004 0.000 0.241 439 R C -0.570 175.768 176.300 0.064 0.000 1.421 439 R CA -0.107 56.023 56.100 0.050 0.000 1.444 439 R CB 0.427 30.757 30.300 0.051 0.000 1.247 439 R HN -0.173 nan 8.270 nan 0.000 0.636 440 S N 2.690 118.424 115.700 0.056 0.000 2.461 440 S HA 0.284 4.751 4.470 -0.004 0.000 0.322 440 S C -0.316 174.318 174.600 0.057 0.000 1.063 440 S CA -0.876 57.359 58.200 0.058 0.000 1.120 440 S CB 0.336 63.563 63.200 0.045 0.000 0.968 440 S HN 0.450 nan 8.310 nan 0.000 0.467 441 N N 3.881 122.621 118.700 0.067 0.000 2.485 441 N HA 0.394 5.132 4.740 -0.004 0.000 0.280 441 N C -2.139 173.398 175.510 0.045 0.000 1.205 441 N CA -1.839 51.242 53.050 0.052 0.000 0.959 441 N CB 0.046 38.566 38.487 0.055 0.000 1.206 441 N HN 0.136 nan 8.380 nan 0.000 0.545 442 P HA 0.009 nan 4.420 nan 0.000 0.215 442 P C 1.316 178.637 177.300 0.036 0.000 1.157 442 P CA 1.007 64.122 63.100 0.025 0.000 0.859 442 P CB 0.169 31.872 31.700 0.006 0.000 0.786 443 L N -1.152 120.082 121.223 0.020 0.000 2.127 443 L HA -0.134 4.204 4.340 -0.004 0.000 0.211 443 L C 2.572 179.494 176.870 0.086 0.000 1.089 443 L CA 1.386 56.239 54.840 0.020 0.000 0.757 443 L CB -1.551 40.489 42.059 -0.033 0.000 0.899 443 L HN -0.058 nan 8.230 nan 0.000 0.434 444 L N -0.540 120.745 121.223 0.104 0.000 2.046 444 L HA -0.200 4.138 4.340 -0.004 0.000 0.208 444 L C 2.497 179.485 176.870 0.197 0.000 1.077 444 L CA 1.569 56.511 54.840 0.171 0.000 0.747 444 L CB -0.108 42.037 42.059 0.143 0.000 0.896 444 L HN 0.299 nan 8.230 nan 0.000 0.432 445 L N -0.284 121.017 121.223 0.130 0.000 2.012 445 L HA -0.269 4.069 4.340 -0.004 0.000 0.210 445 L C 2.557 179.504 176.870 0.128 0.000 1.073 445 L CA 1.519 56.426 54.840 0.112 0.000 0.748 445 L CB -0.650 41.454 42.059 0.075 0.000 0.891 445 L HN 0.302 nan 8.230 nan 0.000 0.431 446 E N -0.313 119.960 120.200 0.121 0.000 2.086 446 E HA -0.300 4.048 4.350 -0.004 0.000 0.200 446 E C 2.061 178.776 176.600 0.192 0.000 1.012 446 E CA 1.952 58.426 56.400 0.125 0.000 0.812 446 E CB -0.312 29.434 29.700 0.077 0.000 0.743 446 E HN 0.384 nan 8.360 nan 0.000 0.453 447 F N 1.357 121.358 119.950 0.084 0.000 2.102 447 F HA -0.203 4.322 4.527 -0.004 0.000 0.298 447 F C 2.302 178.247 175.800 0.242 0.000 1.105 447 F CA 1.319 59.411 58.000 0.153 0.000 1.239 447 F CB -0.182 38.874 39.000 0.094 0.000 0.991 447 F HN -0.075 nan 8.300 nan 0.000 0.474 448 M N -0.080 119.595 119.600 0.126 0.000 2.110 448 M HA -0.316 4.162 4.480 -0.004 0.000 0.257 448 M C 2.274 178.605 176.300 0.053 0.000 1.071 448 M CA 2.181 57.509 55.300 0.046 0.000 1.096 448 M CB -1.351 31.312 32.600 0.105 0.000 1.300 448 M HN 0.274 nan 8.290 nan 0.000 0.411 449 Q N -0.226 119.630 119.800 0.094 0.000 1.921 449 Q HA -0.207 4.130 4.340 -0.004 0.000 0.208 449 Q C 1.945 178.013 176.000 0.112 0.000 0.994 449 Q CA 2.243 58.103 55.803 0.095 0.000 0.857 449 Q CB -1.019 27.776 28.738 0.096 0.000 0.925 449 Q HN 0.493 nan 8.270 nan 0.000 0.421 450 Y N 0.244 120.541 120.300 -0.006 0.000 2.062 450 Y HA -0.404 4.143 4.550 -0.004 0.000 0.273 450 Y C 2.269 178.095 175.900 -0.124 0.000 1.206 450 Y CA 2.542 60.598 58.100 -0.075 0.000 1.125 450 Y CB -0.426 37.905 38.460 -0.216 0.000 0.951 450 Y HN 0.424 nan 8.280 nan 0.000 0.501 451 H N -0.866 118.265 119.070 0.101 0.000 2.421 451 H HA -0.172 4.382 4.556 -0.004 0.000 0.298 451 H C 2.322 177.685 175.328 0.059 0.000 1.087 451 H CA 1.573 57.597 56.048 -0.040 0.000 1.330 451 H CB 0.034 29.582 29.762 -0.356 0.000 1.388 451 H HN 0.370 nan 8.280 nan 0.000 0.526 452 I N 1.306 121.983 120.570 0.179 0.000 2.162 452 I HA -0.197 3.970 4.170 -0.004 0.000 0.238 452 I C 1.809 177.968 176.117 0.070 0.000 1.076 452 I CA 1.107 62.497 61.300 0.150 0.000 1.353 452 I CB -0.849 37.203 38.000 0.087 0.000 1.063 452 I HN 0.095 nan 8.210 nan 0.000 0.408 453 D N -0.020 120.394 120.400 0.025 0.000 2.172 453 D HA -0.222 4.416 4.640 -0.004 0.000 0.196 453 D C 1.826 178.030 176.300 -0.159 0.000 0.999 453 D CA 1.441 55.411 54.000 -0.049 0.000 0.856 453 D CB -0.294 40.493 40.800 -0.021 0.000 0.934 453 D HN 0.527 nan 8.370 nan 0.000 0.453 454 H N -1.445 117.474 119.070 -0.252 0.000 2.549 454 H HA 0.188 4.742 4.556 -0.004 0.000 0.279 454 H C 0.318 175.616 175.328 -0.050 0.000 1.018 454 H CA -0.544 55.374 56.048 -0.217 0.000 1.175 454 H CB 0.100 29.613 29.762 -0.415 0.000 1.485 454 H HN 0.084 nan 8.280 nan 0.000 0.543 455 C N 4.397 123.772 119.300 0.125 0.000 2.592 455 C HA 0.032 4.489 4.460 -0.004 0.000 0.408 455 C C -1.677 173.380 174.990 0.111 0.000 1.436 455 C CA -1.053 58.084 59.018 0.199 0.000 1.595 455 C CB -0.332 27.502 27.740 0.156 0.000 2.487 455 C HN 0.251 nan 8.230 nan 0.000 0.610 456 P HA 0.104 nan 4.420 nan 0.000 0.241 456 P C 1.083 178.288 177.300 -0.158 0.000 1.760 456 P CA 0.278 63.333 63.100 -0.076 0.000 1.081 456 P CB -0.148 31.434 31.700 -0.197 0.000 1.975 457 T N -1.398 113.129 114.554 -0.046 0.000 2.803 457 T HA -0.232 4.115 4.350 -0.004 0.000 0.269 457 T C 1.380 176.028 174.700 -0.085 0.000 1.052 457 T CA 1.078 63.165 62.100 -0.022 0.000 1.136 457 T CB -0.540 68.316 68.868 -0.019 0.000 0.864 457 T HN 0.342 nan 8.240 nan 0.000 0.467 458 E N 1.760 121.884 120.200 -0.127 0.000 2.515 458 E HA -0.099 4.249 4.350 -0.004 0.000 0.201 458 E C 1.818 178.315 176.600 -0.171 0.000 1.071 458 E CA 0.382 56.707 56.400 -0.124 0.000 0.880 458 E CB -0.334 29.299 29.700 -0.112 0.000 0.828 458 E HN 0.570 nan 8.360 nan 0.000 0.540 459 R N 0.324 120.650 120.500 -0.291 0.000 2.156 459 R HA 0.231 4.568 4.340 -0.004 0.000 0.207 459 R C 0.962 177.157 176.300 -0.175 0.000 1.040 459 R CA 0.925 56.806 56.100 -0.365 0.000 1.013 459 R CB 0.556 30.341 30.300 -0.858 0.000 0.931 459 R HN 0.232 nan 8.270 nan 0.000 0.465 460 G N -0.592 108.174 108.800 -0.057 0.000 2.399 460 G HA2 0.061 4.019 3.960 -0.004 0.000 0.293 460 G HA3 0.061 4.019 3.960 -0.004 0.000 0.293 460 G C -0.487 174.461 174.900 0.080 0.000 1.427 460 G CA -0.691 44.443 45.100 0.057 0.000 0.798 460 G HN -0.042 nan 8.290 nan 0.000 0.511 461 E N -0.462 119.762 120.200 0.040 0.000 2.017 461 E HA -0.173 4.175 4.350 -0.004 0.000 0.193 461 E C 2.804 179.404 176.600 0.001 0.000 0.997 461 E CA 2.276 58.683 56.400 0.012 0.000 0.804 461 E CB -0.380 29.317 29.700 -0.004 0.000 0.757 461 E HN 0.662 nan 8.360 nan 0.000 0.448 462 T N 0.010 114.550 114.554 -0.023 0.000 2.624 462 T HA -0.323 4.025 4.350 -0.004 0.000 0.266 462 T C 1.884 176.480 174.700 -0.174 0.000 1.050 462 T CA 1.951 63.982 62.100 -0.115 0.000 1.163 462 T CB -1.070 67.689 68.868 -0.181 0.000 0.861 462 T HN 0.179 nan 8.240 nan 0.000 0.443 463 Y N 1.898 122.102 120.300 -0.160 0.000 2.165 463 Y HA -0.101 4.447 4.550 -0.004 0.000 0.286 463 Y C 3.129 178.933 175.900 -0.159 0.000 1.155 463 Y CA 1.643 59.635 58.100 -0.179 0.000 1.164 463 Y CB -0.664 37.719 38.460 -0.128 0.000 0.978 463 Y HN 0.248 nan 8.280 nan 0.000 0.513 464 Q N 0.269 120.098 119.800 0.049 0.000 1.967 464 Q HA -0.196 4.141 4.340 -0.004 0.000 0.202 464 Q C 2.212 178.180 176.000 -0.053 0.000 0.985 464 Q CA 1.646 57.444 55.803 -0.008 0.000 0.839 464 Q CB -0.881 27.852 28.738 -0.008 0.000 0.906 464 Q HN 0.392 nan 8.270 nan 0.000 0.423 465 L N 0.375 121.561 121.223 -0.062 0.000 2.123 465 L HA -0.257 4.080 4.340 -0.004 0.000 0.217 465 L C 1.971 178.769 176.870 -0.120 0.000 1.081 465 L CA 2.587 57.379 54.840 -0.080 0.000 0.772 465 L CB -1.458 40.554 42.059 -0.078 0.000 0.890 465 L HN 0.331 nan 8.230 nan 0.000 0.437 466 A N -0.508 122.200 122.820 -0.187 0.000 1.832 466 A HA -0.274 4.044 4.320 -0.004 0.000 0.214 466 A C 2.441 179.899 177.584 -0.211 0.000 1.200 466 A CA 1.932 53.798 52.037 -0.286 0.000 0.610 466 A CB -0.786 17.889 19.000 -0.541 0.000 0.842 466 A HN 0.495 nan 8.150 nan 0.000 0.444 467 K N -0.093 120.208 120.400 -0.166 0.000 2.173 467 K HA -0.232 4.086 4.320 -0.004 0.000 0.207 467 K C 1.870 178.435 176.600 -0.059 0.000 1.046 467 K CA 1.865 58.101 56.287 -0.085 0.000 0.929 467 K CB -0.173 32.302 32.500 -0.042 0.000 0.720 467 K HN 0.677 nan 8.250 nan 0.000 0.453 468 E N 0.492 120.654 120.200 -0.062 0.000 1.998 468 E HA -0.204 4.144 4.350 -0.004 0.000 0.196 468 E C 2.095 178.669 176.600 -0.043 0.000 1.003 468 E CA 1.539 57.912 56.400 -0.045 0.000 0.829 468 E CB -0.256 29.418 29.700 -0.044 0.000 0.777 468 E HN 0.255 nan 8.360 nan 0.000 0.460 469 L N 0.847 122.037 121.223 -0.054 0.000 2.129 469 L HA -0.205 4.133 4.340 -0.004 0.000 0.212 469 L C 2.435 179.283 176.870 -0.036 0.000 1.087 469 L CA 1.234 56.047 54.840 -0.045 0.000 0.757 469 L CB -0.687 41.337 42.059 -0.057 0.000 0.896 469 L HN 0.287 nan 8.230 nan 0.000 0.434 470 G N -1.036 107.735 108.800 -0.047 0.000 2.484 470 G HA2 -0.358 3.600 3.960 -0.004 0.000 0.215 470 G HA3 -0.358 3.600 3.960 -0.004 0.000 0.215 470 G C 1.421 176.323 174.900 0.003 0.000 1.219 470 G CA 0.736 45.826 45.100 -0.018 0.000 0.791 470 G HN 0.265 nan 8.290 nan 0.000 0.550 471 Q N -0.004 119.794 119.800 -0.003 0.000 2.152 471 Q HA -0.151 4.186 4.340 -0.004 0.000 0.206 471 Q C 2.493 178.494 176.000 0.003 0.000 0.985 471 Q CA 2.197 58.002 55.803 0.003 0.000 0.863 471 Q CB -0.494 28.242 28.738 -0.004 0.000 0.904 471 Q HN 0.605 nan 8.270 nan 0.000 0.422 472 Q N -0.198 119.598 119.800 -0.005 0.000 1.985 472 Q HA -0.189 4.149 4.340 -0.004 0.000 0.207 472 Q C 1.922 177.923 176.000 0.002 0.000 0.996 472 Q CA 2.096 57.896 55.803 -0.005 0.000 0.851 472 Q CB -0.857 27.874 28.738 -0.012 0.000 0.921 472 Q HN 0.478 nan 8.270 nan 0.000 0.418 473 L N -0.002 121.223 121.223 0.004 0.000 2.043 473 L HA -0.164 4.173 4.340 -0.004 0.000 0.212 473 L C 2.207 179.090 176.870 0.023 0.000 1.075 473 L CA 1.821 56.669 54.840 0.013 0.000 0.752 473 L CB -0.449 41.621 42.059 0.018 0.000 0.891 473 L HN 0.485 nan 8.230 nan 0.000 0.432 474 I N -0.806 119.780 120.570 0.027 0.000 2.335 474 I HA -0.240 3.927 4.170 -0.004 0.000 0.251 474 I C 2.347 178.481 176.117 0.028 0.000 1.129 474 I CA 0.899 62.220 61.300 0.035 0.000 1.402 474 I CB -0.567 37.455 38.000 0.038 0.000 1.069 474 I HN 0.332 nan 8.210 nan 0.000 0.424 475 E N 1.071 121.283 120.200 0.019 0.000 2.046 475 E HA -0.131 4.216 4.350 -0.004 0.000 0.190 475 E C 1.921 178.530 176.600 0.014 0.000 0.982 475 E CA 0.997 57.406 56.400 0.014 0.000 0.800 475 E CB -0.517 29.188 29.700 0.008 0.000 0.756 475 E HN 0.507 nan 8.360 nan 0.000 0.449 476 N N 1.164 119.871 118.700 0.012 0.000 2.036 476 N HA -0.171 4.566 4.740 -0.004 0.000 0.195 476 N C 2.118 177.637 175.510 0.015 0.000 1.037 476 N CA 1.511 54.568 53.050 0.010 0.000 0.855 476 N CB -1.149 37.342 38.487 0.007 0.000 1.033 476 N HN 0.178 nan 8.380 nan 0.000 0.423 477 C N 1.202 120.515 119.300 0.023 0.000 2.398 477 C HA -0.107 4.351 4.460 -0.004 0.000 0.279 477 C C 2.449 177.455 174.990 0.028 0.000 1.250 477 C CA 0.487 59.523 59.018 0.030 0.000 1.786 477 C CB -0.911 26.855 27.740 0.043 0.000 2.018 477 C HN 0.496 nan 8.230 nan 0.000 0.494 478 K N 0.770 121.185 120.400 0.025 0.000 2.097 478 K HA -0.139 4.179 4.320 -0.004 0.000 0.205 478 K C 1.861 178.471 176.600 0.017 0.000 1.050 478 K CA 1.519 57.819 56.287 0.022 0.000 0.938 478 K CB -0.222 32.291 32.500 0.021 0.000 0.718 478 K HN 0.750 nan 8.250 nan 0.000 0.442 479 E N 0.682 120.890 120.200 0.013 0.000 2.489 479 E HA -0.039 4.309 4.350 -0.004 0.000 0.193 479 E C 1.059 177.664 176.600 0.008 0.000 1.057 479 E CA 0.481 56.887 56.400 0.009 0.000 0.866 479 E CB 0.344 30.047 29.700 0.006 0.000 0.916 479 E HN 0.166 nan 8.360 nan 0.000 0.500 480 V N -1.478 118.443 119.914 0.012 0.000 3.276 480 V HA 0.320 4.438 4.120 -0.004 0.000 0.319 480 V C 0.401 176.504 176.094 0.014 0.000 1.427 480 V CA -0.630 61.676 62.300 0.011 0.000 1.102 480 V CB -0.530 31.299 31.823 0.010 0.000 1.020 480 V HN 0.073 nan 8.190 nan 0.000 0.456 481 L N 2.278 123.511 121.223 0.017 0.000 2.490 481 L HA 0.533 4.871 4.340 -0.004 0.000 0.274 481 L C 1.766 178.644 176.870 0.014 0.000 1.201 481 L CA 1.245 56.096 54.840 0.018 0.000 0.869 481 L CB 0.082 42.152 42.059 0.019 0.000 1.123 481 L HN 0.514 nan 8.230 nan 0.000 0.484 482 G N 2.112 110.920 108.800 0.014 0.000 2.507 482 G HA2 -0.317 3.641 3.960 -0.004 0.000 0.240 482 G HA3 -0.317 3.641 3.960 -0.004 0.000 0.240 482 G C 0.483 175.388 174.900 0.008 0.000 1.119 482 G CA 0.001 45.107 45.100 0.011 0.000 0.664 482 G HN 0.588 nan 8.290 nan 0.000 0.516 483 K N 2.311 122.716 120.400 0.007 0.000 2.412 483 K HA 0.331 4.648 4.320 -0.004 0.000 0.284 483 K C -2.199 174.404 176.600 0.004 0.000 1.046 483 K CA -1.222 55.067 56.287 0.003 0.000 0.999 483 K CB 0.483 32.984 32.500 0.002 0.000 0.941 483 K HN 0.152 nan 8.250 nan 0.000 0.474 484 P HA -0.106 nan 4.420 nan 0.000 0.263 484 P C -2.391 174.908 177.300 -0.001 0.000 1.162 484 P CA -0.428 62.671 63.100 -0.001 0.000 0.758 484 P CB -0.177 31.516 31.700 -0.012 0.000 0.773 485 P HA 0.244 nan 4.420 nan 0.000 0.274 485 P C -0.746 176.559 177.300 0.007 0.000 1.246 485 P CA -0.012 63.096 63.100 0.014 0.000 0.795 485 P CB 0.679 32.396 31.700 0.028 0.000 1.006 486 V N 1.266 121.188 119.914 0.013 0.000 2.808 486 V HA 0.195 4.312 4.120 -0.004 0.000 0.308 486 V C -1.213 174.920 176.094 0.065 0.000 1.099 486 V CA -0.765 61.540 62.300 0.008 0.000 0.920 486 V CB 1.839 33.643 31.823 -0.032 0.000 1.014 486 V HN 0.409 nan 8.190 nan 0.000 0.425 487 Y N 5.621 125.905 120.300 -0.027 0.000 2.531 487 Y HA 0.465 5.012 4.550 -0.004 0.000 0.347 487 Y C 0.007 175.899 175.900 -0.013 0.000 1.024 487 Y CA -0.151 57.955 58.100 0.010 0.000 1.306 487 Y CB 0.247 38.767 38.460 0.101 0.000 1.149 487 Y HN 0.582 nan 8.280 nan 0.000 0.527 488 K N 5.881 126.065 120.400 -0.360 0.000 2.613 488 K HA 0.162 4.479 4.320 -0.004 0.000 0.248 488 K C -1.653 174.645 176.600 -0.505 0.000 0.959 488 K CA -0.652 55.345 56.287 -0.483 0.000 0.855 488 K CB 0.824 33.182 32.500 -0.236 0.000 1.143 488 K HN 0.634 nan 8.250 nan 0.000 0.437 489 D N 4.405 124.337 120.400 -0.780 0.000 2.393 489 D HA 0.097 4.735 4.640 -0.004 0.000 0.232 489 D C 0.587 176.492 176.300 -0.659 0.000 1.192 489 D CA -0.152 53.369 54.000 -0.798 0.000 0.882 489 D CB 1.269 41.234 40.800 -1.391 0.000 1.038 489 D HN 0.270 nan 8.370 nan 0.000 0.499 490 V N 2.546 122.263 119.914 -0.328 0.000 3.649 490 V HA -0.025 4.093 4.120 -0.004 0.000 0.275 490 V C 1.331 177.392 176.094 -0.055 0.000 1.281 490 V CA -0.062 62.147 62.300 -0.153 0.000 1.143 490 V CB -0.806 30.958 31.823 -0.099 0.000 0.892 490 V HN 0.536 nan 8.190 nan 0.000 0.441 491 S N 1.376 117.032 115.700 -0.074 0.000 2.572 491 S HA 0.321 4.788 4.470 -0.004 0.000 0.267 491 S C -0.026 174.662 174.600 0.147 0.000 1.361 491 S CA -0.292 57.935 58.200 0.046 0.000 1.009 491 S CB 0.270 63.510 63.200 0.065 0.000 0.888 491 S HN 0.351 nan 8.310 nan 0.000 0.553 492 I N 1.105 121.718 120.570 0.072 0.000 2.308 492 I HA 0.292 4.460 4.170 -0.004 0.000 0.293 492 I C -2.370 173.744 176.117 -0.006 0.000 1.078 492 I CA -2.229 59.089 61.300 0.029 0.000 1.292 492 I CB -0.368 37.626 38.000 -0.011 0.000 1.423 492 I HN 0.361 nan 8.210 nan 0.000 0.493 493 P HA -0.099 nan 4.420 nan 0.000 0.261 493 P C -0.100 177.114 177.300 -0.143 0.000 1.165 493 P CA 0.585 63.554 63.100 -0.217 0.000 0.759 493 P CB 0.424 31.945 31.700 -0.297 0.000 0.772 494 T N 1.749 116.222 114.554 -0.135 0.000 2.907 494 T HA 0.727 5.074 4.350 -0.004 0.000 0.292 494 T C -0.147 174.487 174.700 -0.111 0.000 1.043 494 T CA -0.540 61.498 62.100 -0.104 0.000 1.003 494 T CB 1.087 69.911 68.868 -0.073 0.000 1.084 494 T HN 0.338 nan 8.240 nan 0.000 0.483 495 G N 2.563 111.297 108.800 -0.110 0.000 2.788 495 G HA2 0.808 4.766 3.960 -0.004 0.000 0.293 495 G HA3 0.808 4.766 3.960 -0.004 0.000 0.293 495 G C -3.137 171.704 174.900 -0.097 0.000 1.305 495 G CA -1.683 43.352 45.100 -0.109 0.000 1.005 495 G HN 0.613 nan 8.290 nan 0.000 0.496 496 P HA 0.345 nan 4.420 nan 0.000 0.292 496 P C -1.232 176.078 177.300 0.017 0.000 1.283 496 P CA -0.472 62.663 63.100 0.058 0.000 0.835 496 P CB 1.857 33.654 31.700 0.161 0.000 1.017 497 Q N 1.607 121.379 119.800 -0.047 0.000 2.709 497 Q HA 0.276 4.614 4.340 -0.004 0.000 0.232 497 Q C -1.149 174.904 176.000 0.087 0.000 0.856 497 Q CA -0.334 55.465 55.803 -0.007 0.000 0.788 497 Q CB 1.201 29.886 28.738 -0.087 0.000 1.386 497 Q HN 0.560 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 0.637 4.985 4.350 -0.004 0.000 0.288 498 T C 0.165 174.927 174.700 0.103 0.000 0.980 498 T CA -0.273 61.961 62.100 0.223 0.000 1.071 498 T CB 1.534 70.520 68.868 0.197 0.000 0.941 498 T HN 0.505 nan 8.240 nan 0.000 0.487 499 T N 0.775 115.380 114.554 0.085 0.000 2.893 499 T HA 0.621 4.969 4.350 -0.004 0.000 0.293 499 T C -0.576 174.153 174.700 0.048 0.000 1.027 499 T CA -1.066 61.064 62.100 0.050 0.000 0.988 499 T CB 0.990 69.876 68.868 0.030 0.000 1.043 499 T HN 0.691 nan 8.240 nan 0.000 0.461 500 I N 3.084 123.676 120.570 0.037 0.000 2.371 500 I HA 0.276 4.444 4.170 -0.004 0.000 0.282 500 I C 0.272 176.405 176.117 0.026 0.000 1.031 500 I CA -0.817 60.502 61.300 0.033 0.000 1.180 500 I CB 0.879 38.898 38.000 0.031 0.000 1.336 500 I HN 0.784 nan 8.210 nan 0.000 0.467 501 D N 4.804 125.220 120.400 0.026 0.000 2.474 501 D HA -0.036 4.601 4.640 -0.004 0.000 0.232 501 D C 1.290 177.602 176.300 0.020 0.000 1.177 501 D CA 0.447 54.460 54.000 0.021 0.000 0.876 501 D CB 1.309 42.122 40.800 0.022 0.000 1.208 501 D HN 0.644 nan 8.370 nan 0.000 0.464 502 A N 3.882 126.713 122.820 0.018 0.000 2.121 502 A HA -0.126 4.192 4.320 -0.004 0.000 0.218 502 A C 2.029 179.624 177.584 0.018 0.000 1.154 502 A CA 0.928 52.975 52.037 0.017 0.000 0.679 502 A CB -0.245 18.765 19.000 0.015 0.000 0.795 502 A HN 0.638 nan 8.150 nan 0.000 0.458 503 R N -1.469 119.042 120.500 0.019 0.000 2.313 503 R HA 0.125 4.463 4.340 -0.004 0.000 0.199 503 R C 1.353 177.665 176.300 0.021 0.000 0.958 503 R CA 0.627 56.739 56.100 0.020 0.000 1.047 503 R CB -0.087 30.225 30.300 0.021 0.000 0.955 503 R HN 0.689 nan 8.270 nan 0.000 0.481 504 G N 0.809 109.621 108.800 0.022 0.000 2.194 504 G HA2 -0.238 3.720 3.960 -0.004 0.000 0.236 504 G HA3 -0.238 3.720 3.960 -0.004 0.000 0.236 504 G C -0.062 174.853 174.900 0.025 0.000 0.987 504 G CA -0.392 44.722 45.100 0.023 0.000 0.635 504 G HN 0.272 nan 8.290 nan 0.000 0.520 505 N N 0.788 119.503 118.700 0.026 0.000 2.411 505 N HA 0.236 4.973 4.740 -0.004 0.000 0.261 505 N C 0.363 175.894 175.510 0.034 0.000 1.248 505 N CA 0.647 53.714 53.050 0.029 0.000 0.885 505 N CB 0.413 38.916 38.487 0.027 0.000 1.062 505 N HN 0.432 nan 8.380 nan 0.000 0.471 506 I N 2.483 123.077 120.570 0.039 0.000 2.328 506 I HA 0.140 4.307 4.170 -0.004 0.000 0.287 506 I C 0.428 176.584 176.117 0.064 0.000 1.012 506 I CA -0.595 60.734 61.300 0.049 0.000 1.195 506 I CB 1.041 39.069 38.000 0.046 0.000 1.350 506 I HN 0.442 nan 8.210 nan 0.000 0.464 507 Q N 6.493 126.338 119.800 0.075 0.000 2.416 507 Q HA 0.530 4.868 4.340 -0.004 0.000 0.279 507 Q C -1.684 174.411 176.000 0.160 0.000 1.101 507 Q CA -0.895 54.966 55.803 0.096 0.000 0.830 507 Q CB 2.731 31.504 28.738 0.059 0.000 1.402 507 Q HN 0.552 nan 8.270 nan 0.000 0.445 508 Y N 0.745 121.054 120.300 0.015 0.000 2.317 508 Y HA 0.358 4.905 4.550 -0.004 0.000 0.325 508 Y C -1.386 174.519 175.900 0.009 0.000 1.066 508 Y CA -0.307 57.801 58.100 0.014 0.000 1.203 508 Y CB 1.752 40.226 38.460 0.023 0.000 1.127 508 Y HN 0.818 nan 8.280 nan 0.000 0.451 509 Q N 3.032 122.589 119.800 -0.405 0.000 2.166 509 Q HA 0.459 4.797 4.340 -0.004 0.000 0.226 509 Q C -0.906 174.693 176.000 -0.668 0.000 0.989 509 Q CA -1.143 54.414 55.803 -0.411 0.000 0.966 509 Q CB 1.482 30.097 28.738 -0.205 0.000 1.173 509 Q HN 0.576 nan 8.270 nan 0.000 0.509 510 E N 1.162 121.127 120.200 -0.391 0.000 2.207 510 E HA 0.278 4.625 4.350 -0.004 0.000 0.250 510 E C -1.326 175.166 176.600 -0.180 0.000 0.890 510 E CA -0.273 55.944 56.400 -0.304 0.000 0.749 510 E CB 1.611 31.189 29.700 -0.203 0.000 1.193 510 E HN 0.240 nan 8.360 nan 0.000 0.423 511 V N 3.957 123.773 119.914 -0.164 0.000 2.465 511 V HA 0.227 4.344 4.120 -0.004 0.000 0.279 511 V C -2.125 173.909 176.094 -0.100 0.000 1.045 511 V CA -2.219 60.011 62.300 -0.116 0.000 0.938 511 V CB 0.930 32.691 31.823 -0.103 0.000 0.986 511 V HN 0.485 nan 8.190 nan 0.000 0.467 512 P HA 0.021 nan 4.420 nan 0.000 0.261 512 P C -0.066 177.180 177.300 -0.090 0.000 1.173 512 P CA 0.229 63.279 63.100 -0.083 0.000 0.760 512 P CB 0.254 31.911 31.700 -0.071 0.000 0.783 513 R N 3.119 123.558 120.500 -0.102 0.000 2.458 513 R HA 0.077 4.415 4.340 -0.004 0.000 0.303 513 R C 1.438 177.678 176.300 -0.099 0.000 1.013 513 R CA 0.124 56.161 56.100 -0.104 0.000 1.026 513 R CB 0.270 30.501 30.300 -0.116 0.000 0.948 513 R HN 0.510 nan 8.270 nan 0.000 0.417 514 A N 2.772 125.540 122.820 -0.087 0.000 2.070 514 A HA -0.132 4.185 4.320 -0.004 0.000 0.220 514 A C 1.841 179.371 177.584 -0.090 0.000 1.159 514 A CA 1.428 53.418 52.037 -0.080 0.000 0.656 514 A CB 0.084 19.046 19.000 -0.063 0.000 0.800 514 A HN 0.674 nan 8.150 nan 0.000 0.453 515 S N -1.258 114.386 115.700 -0.092 0.000 2.441 515 S HA 0.473 4.940 4.470 -0.004 0.000 0.224 515 S C 0.894 175.406 174.600 -0.146 0.000 1.043 515 S CA 0.414 58.560 58.200 -0.090 0.000 0.948 515 S CB 0.061 63.228 63.200 -0.055 0.000 0.810 515 S HN 0.747 nan 8.310 nan 0.000 0.504 516 A N 0.717 123.445 122.820 -0.154 0.000 2.355 516 A HA 0.774 5.091 4.320 -0.004 0.000 0.324 516 A C 0.606 178.041 177.584 -0.248 0.000 1.117 516 A CA -0.573 51.337 52.037 -0.212 0.000 0.785 516 A CB 1.158 20.135 19.000 -0.039 0.000 1.254 516 A HN 0.107 nan 8.150 nan 0.000 0.453 517 R N 0.143 120.437 120.500 -0.344 0.000 2.428 517 R HA 0.222 4.560 4.340 -0.004 0.000 0.193 517 R C 0.102 176.396 176.300 -0.011 0.000 0.852 517 R CA 0.467 56.460 56.100 -0.178 0.000 1.055 517 R CB 0.170 30.342 30.300 -0.214 0.000 1.343 517 R HN 0.630 nan 8.270 nan 0.000 0.655 518 K N 0.026 120.516 120.400 0.150 0.000 2.210 518 K HA 0.269 4.586 4.320 -0.004 0.000 0.236 518 K C 1.020 177.754 176.600 0.222 0.000 1.016 518 K CA -0.441 55.979 56.287 0.221 0.000 0.913 518 K CB 0.604 33.252 32.500 0.245 0.000 1.141 518 K HN -0.132 nan 8.250 nan 0.000 0.462 519 F N 1.473 121.414 119.950 -0.016 0.000 2.325 519 F HA -0.100 4.425 4.527 -0.004 0.000 0.299 519 F C 2.060 177.912 175.800 0.085 0.000 1.090 519 F CA 1.075 59.041 58.000 -0.057 0.000 1.392 519 F CB 0.327 39.103 39.000 -0.373 0.000 1.053 519 F HN 0.614 nan 8.300 nan 0.000 0.521 520 E N -0.693 119.617 120.200 0.183 0.000 2.130 520 E HA -0.283 4.065 4.350 -0.004 0.000 0.196 520 E C 1.703 178.309 176.600 0.010 0.000 0.998 520 E CA 1.821 58.265 56.400 0.073 0.000 0.806 520 E CB -0.452 29.224 29.700 -0.040 0.000 0.738 520 E HN 0.598 nan 8.360 nan 0.000 0.459 521 H N -0.617 118.484 119.070 0.053 0.000 2.321 521 H HA -0.152 4.401 4.556 -0.004 0.000 0.300 521 H C 1.868 177.207 175.328 0.018 0.000 1.087 521 H CA 1.818 57.879 56.048 0.021 0.000 1.319 521 H CB -0.378 29.385 29.762 0.001 0.000 1.379 521 H HN 0.221 nan 8.280 nan 0.000 0.501 522 Y N 1.470 121.773 120.300 0.005 0.000 2.040 522 Y HA -0.327 4.221 4.550 -0.004 0.000 0.275 522 Y C 2.325 178.246 175.900 0.035 0.000 1.171 522 Y CA 1.777 59.826 58.100 -0.085 0.000 1.123 522 Y CB -0.864 37.392 38.460 -0.340 0.000 0.963 522 Y HN -0.006 nan 8.280 nan 0.000 0.493 523 V N 1.071 120.974 119.914 -0.018 0.000 2.250 523 V HA -0.407 3.711 4.120 -0.004 0.000 0.250 523 V C 2.365 178.399 176.094 -0.099 0.000 1.060 523 V CA 2.547 64.818 62.300 -0.050 0.000 1.030 523 V CB -0.916 31.004 31.823 0.161 0.000 0.643 523 V HN 0.380 nan 8.190 nan 0.000 0.445 524 K N -0.341 120.034 120.400 -0.042 0.000 1.969 524 K HA -0.231 4.087 4.320 -0.004 0.000 0.216 524 K C 2.341 178.926 176.600 -0.024 0.000 1.048 524 K CA 1.903 58.173 56.287 -0.028 0.000 0.948 524 K CB -0.438 32.047 32.500 -0.023 0.000 0.726 524 K HN 0.477 nan 8.250 nan 0.000 0.442 525 Q N -0.109 119.678 119.800 -0.021 0.000 2.182 525 Q HA -0.259 4.078 4.340 -0.004 0.000 0.213 525 Q C 2.146 178.150 176.000 0.006 0.000 1.000 525 Q CA 1.659 57.455 55.803 -0.011 0.000 0.889 525 Q CB -0.212 28.507 28.738 -0.032 0.000 0.932 525 Q HN 0.342 nan 8.270 nan 0.000 0.415 526 M N -0.580 118.959 119.600 -0.101 0.000 2.086 526 M HA -0.123 4.355 4.480 -0.004 0.000 0.261 526 M C 2.295 178.693 176.300 0.163 0.000 1.067 526 M CA 1.597 56.899 55.300 0.003 0.000 1.116 526 M CB -1.315 31.159 32.600 -0.211 0.000 1.348 526 M HN 0.236 nan 8.290 nan 0.000 0.407 527 A N -0.134 122.720 122.820 0.057 0.000 1.972 527 A HA -0.154 4.163 4.320 -0.004 0.000 0.219 527 A C 2.066 179.693 177.584 0.071 0.000 1.169 527 A CA 1.512 53.586 52.037 0.063 0.000 0.635 527 A CB -0.675 18.342 19.000 0.028 0.000 0.810 527 A HN 0.593 nan 8.150 nan 0.000 0.446 528 E N -0.825 119.421 120.200 0.078 0.000 2.204 528 E HA 0.201 4.548 4.350 -0.004 0.000 0.194 528 E C 1.348 177.974 176.600 0.042 0.000 0.989 528 E CA 0.234 56.670 56.400 0.060 0.000 0.824 528 E CB -0.288 29.448 29.700 0.060 0.000 0.756 528 E HN 0.728 nan 8.360 nan 0.000 0.477 529 G N 0.190 109.036 108.800 0.077 0.000 2.598 529 G HA2 -0.107 3.851 3.960 -0.004 0.000 0.244 529 G HA3 -0.107 3.851 3.960 -0.004 0.000 0.244 529 G C 0.081 174.950 174.900 -0.051 0.000 1.302 529 G CA -0.576 44.398 45.100 -0.211 0.000 0.903 529 G HN 0.605 nan 8.290 nan 0.000 0.575 530 G N -2.521 106.137 108.800 -0.237 0.000 2.649 530 G HA2 0.725 4.682 3.960 -0.004 0.000 0.290 530 G HA3 0.725 4.682 3.960 -0.004 0.000 0.290 530 G C -2.015 172.803 174.900 -0.137 0.000 1.426 530 G CA 0.267 45.327 45.100 -0.067 0.000 0.794 530 G HN 0.556 nan 8.290 nan 0.000 0.483 531 P HA -0.084 nan 4.420 nan 0.000 0.219 531 P C 1.765 178.993 177.300 -0.120 0.000 1.144 531 P CA 0.821 63.879 63.100 -0.070 0.000 0.806 531 P CB 0.201 31.884 31.700 -0.028 0.000 0.771 532 I N -1.066 119.380 120.570 -0.207 0.000 2.333 532 I HA -0.122 4.045 4.170 -0.004 0.000 0.246 532 I C 1.314 177.011 176.117 -0.701 0.000 1.106 532 I CA 1.515 62.608 61.300 -0.345 0.000 1.411 532 I CB -0.756 37.036 38.000 -0.346 0.000 1.082 532 I HN 0.028 nan 8.210 nan 0.000 0.420 533 S N 0.945 116.145 115.700 -0.833 0.000 2.767 533 S HA 0.170 4.637 4.470 -0.004 0.000 0.253 533 S C 0.381 174.910 174.600 -0.118 0.000 1.082 533 S CA -0.475 57.269 58.200 -0.760 0.000 1.148 533 S CB -0.601 62.187 63.200 -0.687 0.000 0.808 533 S HN 0.334 nan 8.310 nan 0.000 0.466 534 Q N 1.597 121.373 119.800 -0.040 0.000 2.314 534 Q HA 0.459 4.796 4.340 -0.004 0.000 0.258 534 Q C -0.688 175.465 176.000 0.255 0.000 0.954 534 Q CA -0.371 55.486 55.803 0.089 0.000 0.890 534 Q CB 0.657 29.409 28.738 0.024 0.000 1.210 534 Q HN 0.807 nan 8.270 nan 0.000 0.410 535 Y N -2.002 118.304 120.300 0.009 0.000 2.625 535 Y HA 0.658 5.206 4.550 -0.004 0.000 0.338 535 Y C -1.148 174.754 175.900 0.004 0.000 1.123 535 Y CA -1.321 56.790 58.100 0.020 0.000 1.046 535 Y CB 1.209 39.689 38.460 0.034 0.000 1.299 535 Y HN 0.363 nan 8.280 nan 0.000 0.464 536 S N 1.896 117.576 115.700 -0.034 0.000 2.475 536 S HA 0.298 4.765 4.470 -0.004 0.000 0.298 536 S C -0.624 173.896 174.600 -0.133 0.000 1.119 536 S CA -0.884 57.245 58.200 -0.119 0.000 1.085 536 S CB 0.927 64.109 63.200 -0.030 0.000 1.028 536 S HN 0.655 nan 8.310 nan 0.000 0.489 537 N N 1.593 120.188 118.700 -0.175 0.000 2.273 537 N HA 0.014 4.751 4.740 -0.004 0.000 0.227 537 N C 1.481 176.962 175.510 -0.048 0.000 1.292 537 N CA -0.104 52.875 53.050 -0.118 0.000 0.875 537 N CB 0.240 38.663 38.487 -0.107 0.000 1.105 537 N HN 0.661 nan 8.380 nan 0.000 0.434 538 R N 0.047 120.530 120.500 -0.029 0.000 2.119 538 R HA -0.235 4.103 4.340 -0.004 0.000 0.246 538 R C 1.679 177.966 176.300 -0.022 0.000 1.146 538 R CA 2.280 58.369 56.100 -0.019 0.000 0.962 538 R CB -0.746 29.543 30.300 -0.018 0.000 0.863 538 R HN 0.872 nan 8.270 nan 0.000 0.442 539 T N -0.743 113.794 114.554 -0.028 0.000 2.597 539 T HA -0.231 4.117 4.350 -0.004 0.000 0.267 539 T C 1.936 176.625 174.700 -0.018 0.000 1.053 539 T CA 1.643 63.728 62.100 -0.024 0.000 1.165 539 T CB -0.427 68.423 68.868 -0.029 0.000 0.863 539 T HN 0.291 nan 8.240 nan 0.000 0.427 540 K N 0.405 120.789 120.400 -0.027 0.000 2.063 540 K HA -0.063 4.254 4.320 -0.004 0.000 0.208 540 K C 2.406 179.004 176.600 -0.003 0.000 1.048 540 K CA 1.446 57.722 56.287 -0.018 0.000 0.928 540 K CB -0.576 31.904 32.500 -0.034 0.000 0.713 540 K HN 0.332 nan 8.250 nan 0.000 0.442 541 V N 2.331 122.241 119.914 -0.006 0.000 2.324 541 V HA -0.323 3.794 4.120 -0.004 0.000 0.250 541 V C 2.546 178.644 176.094 0.008 0.000 1.060 541 V CA 2.266 64.566 62.300 -0.000 0.000 1.042 541 V CB -0.601 31.218 31.823 -0.008 0.000 0.650 541 V HN 0.533 nan 8.190 nan 0.000 0.450 542 Q N -0.186 119.618 119.800 0.006 0.000 2.033 542 Q HA -0.179 4.159 4.340 -0.004 0.000 0.196 542 Q C 1.923 177.946 176.000 0.039 0.000 0.970 542 Q CA 1.746 57.561 55.803 0.020 0.000 0.828 542 Q CB -0.634 28.108 28.738 0.005 0.000 0.895 542 Q HN 0.499 nan 8.270 nan 0.000 0.440 543 N N 1.365 120.079 118.700 0.025 0.000 2.334 543 N HA -0.144 4.594 4.740 -0.004 0.000 0.187 543 N C 0.998 176.538 175.510 0.049 0.000 1.016 543 N CA 1.578 54.646 53.050 0.030 0.000 0.879 543 N CB -0.139 38.357 38.487 0.014 0.000 0.965 543 N HN 0.363 nan 8.380 nan 0.000 0.438 544 D N -0.318 120.113 120.400 0.052 0.000 2.183 544 D HA 0.045 4.682 4.640 -0.004 0.000 0.205 544 D C 1.965 178.340 176.300 0.125 0.000 0.962 544 D CA 0.295 54.338 54.000 0.071 0.000 0.849 544 D CB -0.110 40.720 40.800 0.051 0.000 0.978 544 D HN 0.242 nan 8.370 nan 0.000 0.488 545 L N 0.599 121.905 121.223 0.137 0.000 2.131 545 L HA -0.133 4.204 4.340 -0.004 0.000 0.210 545 L C 2.557 179.627 176.870 0.333 0.000 1.092 545 L CA 0.914 55.917 54.840 0.272 0.000 0.759 545 L CB -0.202 41.976 42.059 0.198 0.000 0.903 545 L HN -0.038 nan 8.230 nan 0.000 0.435 546 R N 0.202 120.807 120.500 0.176 0.000 2.126 546 R HA -0.161 4.177 4.340 -0.004 0.000 0.224 546 R C 2.544 178.932 176.300 0.147 0.000 1.128 546 R CA 2.049 58.220 56.100 0.119 0.000 0.895 546 R CB -0.692 29.647 30.300 0.065 0.000 0.817 546 R HN 0.392 nan 8.270 nan 0.000 0.435 547 S N 0.511 116.280 115.700 0.114 0.000 2.420 547 S HA -0.136 4.331 4.470 -0.004 0.000 0.237 547 S C 2.148 176.820 174.600 0.119 0.000 1.023 547 S CA 1.460 59.718 58.200 0.098 0.000 0.991 547 S CB -0.647 62.594 63.200 0.068 0.000 0.792 547 S HN 0.089 nan 8.310 nan 0.000 0.488 548 V N 0.787 120.811 119.914 0.183 0.000 2.237 548 V HA -0.182 3.935 4.120 -0.004 0.000 0.245 548 V C 2.140 178.370 176.094 0.227 0.000 1.046 548 V CA 2.099 64.536 62.300 0.228 0.000 1.007 548 V CB -0.910 31.128 31.823 0.360 0.000 0.638 548 V HN 0.582 nan 8.190 nan 0.000 0.445 549 Y N 0.976 121.332 120.300 0.093 0.000 2.114 549 Y HA -0.267 4.281 4.550 -0.004 0.000 0.284 549 Y C 2.635 178.507 175.900 -0.046 0.000 1.143 549 Y CA 2.111 60.174 58.100 -0.062 0.000 1.135 549 Y CB -0.202 37.980 38.460 -0.463 0.000 0.980 549 Y HN 0.114 nan 8.280 nan 0.000 0.499 550 K N 0.153 120.690 120.400 0.229 0.000 2.059 550 K HA -0.264 4.053 4.320 -0.004 0.000 0.212 550 K C 2.129 178.724 176.600 -0.008 0.000 1.050 550 K CA 2.106 58.466 56.287 0.121 0.000 0.927 550 K CB -0.526 32.037 32.500 0.105 0.000 0.714 550 K HN 0.458 nan 8.250 nan 0.000 0.447 551 L N 0.706 121.922 121.223 -0.012 0.000 2.023 551 L HA -0.083 4.255 4.340 -0.004 0.000 0.205 551 L C 2.287 179.082 176.870 -0.125 0.000 1.073 551 L CA 1.027 55.839 54.840 -0.047 0.000 0.745 551 L CB -0.163 41.887 42.059 -0.015 0.000 0.900 551 L HN 0.175 nan 8.230 nan 0.000 0.435 552 I N -0.088 120.375 120.570 -0.178 0.000 2.264 552 I HA -0.333 3.834 4.170 -0.004 0.000 0.248 552 I C 2.711 178.570 176.117 -0.429 0.000 1.111 552 I CA 1.490 62.597 61.300 -0.323 0.000 1.382 552 I CB -0.050 37.662 38.000 -0.480 0.000 1.060 552 I HN 0.400 nan 8.210 nan 0.000 0.418 553 R N 1.423 121.645 120.500 -0.463 0.000 2.057 553 R HA -0.036 4.302 4.340 -0.004 0.000 0.224 553 R C 1.736 177.766 176.300 -0.449 0.000 1.136 553 R CA 1.273 57.041 56.100 -0.553 0.000 0.968 553 R CB -0.500 29.403 30.300 -0.661 0.000 0.863 553 R HN 0.126 nan 8.270 nan 0.000 0.433 554 R N 0.785 121.151 120.500 -0.223 0.000 2.858 554 R HA -0.004 4.333 4.340 -0.004 0.000 0.228 554 R C 0.914 177.189 176.300 -0.042 0.000 1.471 554 R CA 0.419 56.477 56.100 -0.070 0.000 1.342 554 R CB -0.084 30.209 30.300 -0.011 0.000 1.152 554 R HN 0.460 nan 8.270 nan 0.000 0.521 555 Q N -0.969 118.760 119.800 -0.118 0.000 2.254 555 Q HA 0.013 4.351 4.340 -0.004 0.000 0.259 555 Q C -0.519 175.473 176.000 -0.014 0.000 0.815 555 Q CA -0.180 55.583 55.803 -0.067 0.000 0.961 555 Q CB 0.826 29.494 28.738 -0.116 0.000 1.140 555 Q HN 0.382 nan 8.270 nan 0.000 0.502 556 H N 1.130 120.141 119.070 -0.099 0.000 2.252 556 H HA -0.161 4.393 4.556 -0.004 0.000 0.309 556 H C -0.032 175.252 175.328 -0.074 0.000 0.889 556 H CA 0.839 56.836 56.048 -0.085 0.000 1.021 556 H CB -0.063 29.663 29.762 -0.059 0.000 1.597 556 H HN 0.280 nan 8.280 nan 0.000 0.317 557 R N 1.003 121.487 120.500 -0.026 0.000 2.531 557 R HA 0.253 4.591 4.340 -0.004 0.000 0.316 557 R C 0.506 176.781 176.300 -0.041 0.000 0.955 557 R CA -0.010 56.074 56.100 -0.026 0.000 1.120 557 R CB 0.829 31.100 30.300 -0.048 0.000 1.361 557 R HN 0.225 nan 8.270 nan 0.000 0.534 558 L N 1.589 122.774 121.223 -0.064 0.000 2.322 558 L HA 0.393 4.731 4.340 -0.004 0.000 0.279 558 L C 0.825 177.680 176.870 -0.025 0.000 1.036 558 L CA -0.807 53.992 54.840 -0.068 0.000 0.807 558 L CB 1.583 43.562 42.059 -0.133 0.000 1.226 558 L HN -0.030 nan 8.230 nan 0.000 0.433 559 S N 1.047 116.738 115.700 -0.014 0.000 2.566 559 S HA 0.057 4.525 4.470 -0.004 0.000 0.280 559 S C 0.803 175.410 174.600 0.012 0.000 1.343 559 S CA -0.399 57.803 58.200 0.004 0.000 1.036 559 S CB 0.634 63.836 63.200 0.004 0.000 0.866 559 S HN 0.667 nan 8.310 nan 0.000 0.526 560 K N 1.223 121.637 120.400 0.024 0.000 2.360 560 K HA -0.071 4.246 4.320 -0.004 0.000 0.201 560 K C 2.227 178.848 176.600 0.035 0.000 1.046 560 K CA 0.976 57.283 56.287 0.033 0.000 0.945 560 K CB -0.323 32.198 32.500 0.035 0.000 0.750 560 K HN 0.554 nan 8.250 nan 0.000 0.464 561 S N 0.947 116.665 115.700 0.029 0.000 2.361 561 S HA -0.151 4.317 4.470 -0.004 0.000 0.214 561 S C 2.111 176.738 174.600 0.046 0.000 1.034 561 S CA 1.846 60.066 58.200 0.034 0.000 1.025 561 S CB -0.227 62.989 63.200 0.026 0.000 0.996 561 S HN 0.448 nan 8.310 nan 0.000 0.422 562 S N 1.885 117.605 115.700 0.035 0.000 2.365 562 S HA -0.248 4.220 4.470 -0.004 0.000 0.225 562 S C 1.839 176.487 174.600 0.079 0.000 1.039 562 S CA 1.351 59.578 58.200 0.045 0.000 1.033 562 S CB -0.810 62.390 63.200 -0.000 0.000 0.887 562 S HN 0.525 nan 8.310 nan 0.000 0.447 563 Q N 0.246 120.066 119.800 0.034 0.000 2.226 563 Q HA 0.043 4.381 4.340 -0.004 0.000 0.204 563 Q C 2.234 178.312 176.000 0.129 0.000 0.975 563 Q CA 0.737 56.569 55.803 0.048 0.000 0.866 563 Q CB -0.303 28.416 28.738 -0.033 0.000 0.915 563 Q HN 0.421 nan 8.270 nan 0.000 0.440 564 L N 1.385 122.666 121.223 0.097 0.000 1.976 564 L HA -0.232 4.105 4.340 -0.004 0.000 0.209 564 L C 2.356 179.293 176.870 0.112 0.000 1.071 564 L CA 2.145 57.041 54.840 0.093 0.000 0.746 564 L CB -0.820 41.278 42.059 0.065 0.000 0.890 564 L HN 0.413 nan 8.230 nan 0.000 0.432 565 Q N -2.004 117.865 119.800 0.115 0.000 2.331 565 Q HA -0.193 4.145 4.340 -0.004 0.000 0.203 565 Q C 2.189 178.280 176.000 0.151 0.000 0.944 565 Q CA 0.846 56.713 55.803 0.106 0.000 0.892 565 Q CB -0.745 28.043 28.738 0.084 0.000 0.983 565 Q HN 0.414 nan 8.270 nan 0.000 0.482 566 F N 3.365 123.352 119.950 0.061 0.000 2.095 566 F HA -0.210 4.315 4.527 -0.004 0.000 0.298 566 F C 1.703 177.618 175.800 0.190 0.000 1.104 566 F CA 1.775 59.837 58.000 0.103 0.000 1.232 566 F CB -0.331 38.690 39.000 0.035 0.000 0.987 566 F HN 0.011 nan 8.300 nan 0.000 0.475 567 N N 1.084 119.843 118.700 0.098 0.000 2.069 567 N HA -0.215 4.523 4.740 -0.004 0.000 0.191 567 N C 2.091 177.622 175.510 0.036 0.000 1.031 567 N CA 1.653 54.746 53.050 0.072 0.000 0.852 567 N CB -1.094 37.487 38.487 0.156 0.000 1.018 567 N HN 0.467 nan 8.380 nan 0.000 0.423 568 A N 1.750 124.598 122.820 0.046 0.000 1.859 568 A HA -0.162 4.155 4.320 -0.004 0.000 0.218 568 A C 2.435 180.020 177.584 0.002 0.000 1.209 568 A CA 1.545 53.599 52.037 0.028 0.000 0.639 568 A CB -1.103 17.918 19.000 0.036 0.000 0.835 568 A HN 0.268 nan 8.150 nan 0.000 0.450 569 L N -2.711 118.506 121.223 -0.011 0.000 2.079 569 L HA -0.219 4.118 4.340 -0.004 0.000 0.210 569 L C 2.604 179.413 176.870 -0.103 0.000 1.081 569 L CA 1.699 56.511 54.840 -0.048 0.000 0.752 569 L CB -0.720 41.319 42.059 -0.034 0.000 0.896 569 L HN 0.494 nan 8.230 nan 0.000 0.433 570 Y N 0.949 121.096 120.300 -0.254 0.000 2.128 570 Y HA -0.294 4.254 4.550 -0.004 0.000 0.284 570 Y C 2.704 178.507 175.900 -0.162 0.000 1.154 570 Y CA 1.698 59.640 58.100 -0.263 0.000 1.149 570 Y CB -0.078 38.160 38.460 -0.371 0.000 0.976 570 Y HN 0.034 nan 8.280 nan 0.000 0.505 571 K N -0.183 120.236 120.400 0.031 0.000 2.032 571 K HA -0.210 4.108 4.320 -0.004 0.000 0.209 571 K C 1.567 178.145 176.600 -0.037 0.000 1.048 571 K CA 1.772 58.056 56.287 -0.005 0.000 0.927 571 K CB -0.350 32.147 32.500 -0.006 0.000 0.712 571 K HN 0.339 nan 8.250 nan 0.000 0.441 572 D N 0.711 121.082 120.400 -0.047 0.000 2.092 572 D HA -0.157 4.480 4.640 -0.004 0.000 0.193 572 D C 2.034 178.289 176.300 -0.076 0.000 0.994 572 D CA 1.054 55.021 54.000 -0.054 0.000 0.828 572 D CB -0.685 40.083 40.800 -0.053 0.000 0.963 572 D HN -0.075 nan 8.370 nan 0.000 0.450 573 V N 1.520 121.364 119.914 -0.117 0.000 2.278 573 V HA -0.256 3.861 4.120 -0.004 0.000 0.251 573 V C 2.416 178.441 176.094 -0.116 0.000 1.062 573 V CA 1.414 63.626 62.300 -0.147 0.000 1.038 573 V CB -0.523 31.142 31.823 -0.263 0.000 0.646 573 V HN 0.271 nan 8.190 nan 0.000 0.447 574 I N -0.971 119.540 120.570 -0.099 0.000 2.830 574 I HA -0.109 4.059 4.170 -0.004 0.000 0.263 574 I C 2.643 178.731 176.117 -0.048 0.000 1.230 574 I CA 0.832 62.095 61.300 -0.061 0.000 1.480 574 I CB -0.554 37.428 38.000 -0.031 0.000 1.095 574 I HN 0.296 nan 8.210 nan 0.000 0.455 575 R N 1.528 122.000 120.500 -0.048 0.000 2.051 575 R HA 0.028 4.366 4.340 -0.004 0.000 0.225 575 R C 2.475 178.751 176.300 -0.040 0.000 1.155 575 R CA 1.491 57.568 56.100 -0.039 0.000 0.945 575 R CB -0.802 29.477 30.300 -0.035 0.000 0.840 575 R HN 0.284 nan 8.270 nan 0.000 0.432 576 A N 1.510 124.301 122.820 -0.048 0.000 1.978 576 A HA -0.092 4.225 4.320 -0.004 0.000 0.220 576 A C 2.174 179.730 177.584 -0.047 0.000 1.170 576 A CA 1.226 53.235 52.037 -0.047 0.000 0.636 576 A CB -0.515 18.452 19.000 -0.056 0.000 0.810 576 A HN 0.201 nan 8.150 nan 0.000 0.448 577 L N -2.191 119.002 121.223 -0.051 0.000 2.591 577 L HA 0.272 4.609 4.340 -0.004 0.000 0.228 577 L C 1.494 178.342 176.870 -0.036 0.000 1.133 577 L CA 0.415 55.228 54.840 -0.045 0.000 0.880 577 L CB -0.197 41.831 42.059 -0.052 0.000 1.033 577 L HN 0.551 nan 8.230 nan 0.000 0.450 578 A N -1.167 121.632 122.820 -0.034 0.000 3.031 578 A HA -0.197 4.121 4.320 -0.004 0.000 0.244 578 A C 0.952 178.520 177.584 -0.027 0.000 1.341 578 A CA 0.253 52.273 52.037 -0.028 0.000 0.943 578 A CB -1.737 17.248 19.000 -0.025 0.000 1.122 578 A HN 0.238 nan 8.150 nan 0.000 0.760 609 V N 2.676 122.522 119.914 -0.114 0.000 2.583 609 V HA 0.262 4.380 4.120 -0.004 0.000 0.287 609 V C 0.150 176.126 176.094 -0.197 0.000 1.051 609 V CA 0.181 62.400 62.300 -0.136 0.000 1.010 609 V CB 1.302 33.078 31.823 -0.078 0.000 0.988 609 V HN 0.678 nan 8.190 nan 0.000 0.478 610 E N 1.412 121.428 120.200 -0.308 0.000 2.416 610 E HA 0.713 5.061 4.350 -0.004 0.000 0.273 610 E C -0.983 175.573 176.600 -0.072 0.000 0.935 610 E CA -0.611 55.586 56.400 -0.338 0.000 0.784 610 E CB 2.688 31.896 29.700 -0.821 0.000 1.301 610 E HN 0.829 nan 8.360 nan 0.000 0.454 611 T N -1.674 112.957 114.554 0.128 0.000 2.865 611 T HA 0.632 4.980 4.350 -0.004 0.000 0.294 611 T C -0.384 174.452 174.700 0.228 0.000 1.119 611 T CA -0.721 61.474 62.100 0.159 0.000 1.007 611 T CB 0.826 69.677 68.868 -0.029 0.000 1.225 611 T HN 0.292 nan 8.240 nan 0.000 0.515 612 I N 1.891 122.457 120.570 -0.007 0.000 2.359 612 I HA 0.345 4.512 4.170 -0.004 0.000 0.294 612 I C -1.898 174.052 176.117 -0.278 0.000 0.987 612 I CA -2.925 58.284 61.300 -0.152 0.000 1.225 612 I CB 2.614 40.484 38.000 -0.217 0.000 1.366 612 I HN 0.503 nan 8.210 nan 0.000 0.466 613 P HA 0.036 nan 4.420 nan 0.000 0.269 613 P C 0.499 177.875 177.300 0.126 0.000 1.376 613 P CA 0.302 63.380 63.100 -0.038 0.000 0.775 613 P CB -0.249 31.457 31.700 0.009 0.000 1.345 614 F N -2.913 117.119 119.950 0.137 0.000 2.764 614 F HA -0.276 4.249 4.527 -0.004 0.000 0.493 614 F C 0.611 176.572 175.800 0.268 0.000 0.538 614 F CA 1.177 59.304 58.000 0.211 0.000 0.726 614 F CB -1.537 37.555 39.000 0.152 0.000 1.553 614 F HN 0.040 nan 8.300 nan 0.000 0.258 615 L N 1.185 122.641 121.223 0.389 0.000 2.485 615 L HA 0.391 4.729 4.340 -0.004 0.000 0.260 615 L C -0.262 176.772 176.870 0.272 0.000 0.998 615 L CA -0.546 54.473 54.840 0.299 0.000 0.883 615 L CB 1.225 43.481 42.059 0.329 0.000 1.196 615 L HN 0.132 nan 8.230 nan 0.000 0.443 616 H N 2.685 121.822 119.070 0.112 0.000 2.895 616 H HA 0.626 5.179 4.556 -0.004 0.000 0.373 616 H C -1.115 174.264 175.328 0.085 0.000 1.174 616 H CA -0.988 55.078 56.048 0.031 0.000 1.144 616 H CB 1.948 31.505 29.762 -0.340 0.000 1.793 616 H HN 0.291 nan 8.280 nan 0.000 0.551 617 L N 1.136 122.479 121.223 0.200 0.000 2.488 617 L HA 0.574 4.911 4.340 -0.004 0.000 0.249 617 L C 0.568 177.592 176.870 0.257 0.000 1.151 617 L CA -0.890 54.048 54.840 0.162 0.000 0.806 617 L CB 0.523 42.674 42.059 0.153 0.000 1.261 617 L HN 0.589 nan 8.230 nan 0.000 0.484 618 R N -0.213 120.431 120.500 0.240 0.000 2.817 618 R HA 0.569 4.907 4.340 -0.004 0.000 0.268 618 R C -1.284 175.235 176.300 0.366 0.000 1.027 618 R CA -1.002 55.255 56.100 0.262 0.000 0.928 618 R CB 2.612 32.947 30.300 0.058 0.000 1.228 618 R HN 0.425 nan 8.270 nan 0.000 0.469 619 K N 0.884 121.441 120.400 0.262 0.000 2.482 619 K HA 0.372 4.690 4.320 -0.004 0.000 0.257 619 K C -1.152 175.338 176.600 -0.183 0.000 0.969 619 K CA -0.747 55.612 56.287 0.120 0.000 0.842 619 K CB 2.154 34.689 32.500 0.058 0.000 1.359 619 K HN 0.304 nan 8.250 nan 0.000 0.441 620 K N 1.755 121.860 120.400 -0.492 0.000 2.205 620 K HA 0.078 4.396 4.320 -0.004 0.000 0.279 620 K C -0.459 175.948 176.600 -0.321 0.000 1.027 620 K CA -0.482 55.402 56.287 -0.672 0.000 0.932 620 K CB 0.969 32.949 32.500 -0.867 0.000 1.032 620 K HN 0.529 nan 8.250 nan 0.000 0.466 621 D N 1.860 122.116 120.400 -0.241 0.000 2.371 621 D HA -0.025 4.613 4.640 -0.004 0.000 0.242 621 D C 0.928 177.182 176.300 -0.077 0.000 1.218 621 D CA 0.266 54.211 54.000 -0.092 0.000 0.945 621 D CB 0.872 41.666 40.800 -0.009 0.000 1.137 621 D HN 0.459 nan 8.370 nan 0.000 0.464 622 E N 0.227 120.427 120.200 0.000 0.000 2.130 622 E HA -0.203 4.145 4.350 -0.004 0.000 0.196 622 E C 0.426 176.901 176.600 -0.208 0.000 0.998 622 E CA 0.958 57.299 56.400 -0.099 0.000 0.806 622 E CB -0.189 29.471 29.700 -0.066 0.000 0.738 622 E HN 0.410 nan 8.360 nan 0.000 0.459 623 F N 1.177 121.063 119.950 -0.107 0.000 2.573 623 F HA 0.261 4.786 4.527 -0.004 0.000 0.349 623 F C 1.158 176.883 175.800 -0.126 0.000 1.213 623 F CA -0.566 57.378 58.000 -0.093 0.000 1.300 623 F CB 0.373 39.331 39.000 -0.070 0.000 1.661 623 F HN -0.107 nan 8.300 nan 0.000 0.616 624 G N 2.154 110.914 108.800 -0.067 0.000 1.969 624 G HA2 -0.307 3.650 3.960 -0.004 0.000 0.238 624 G HA3 -0.307 3.650 3.960 -0.004 0.000 0.238 624 G C -0.105 174.674 174.900 -0.201 0.000 0.690 624 G CA 0.184 45.179 45.100 -0.174 0.000 0.979 624 G HN 0.464 nan 8.290 nan 0.000 0.375 625 N N -0.356 118.192 118.700 -0.253 0.000 2.284 625 N HA 0.351 5.089 4.740 -0.004 0.000 0.300 625 N C -0.683 174.623 175.510 -0.339 0.000 1.047 625 N CA -0.762 52.169 53.050 -0.200 0.000 0.821 625 N CB 1.160 39.603 38.487 -0.072 0.000 1.337 625 N HN 0.369 nan 8.380 nan 0.000 0.482 626 W N 1.549 122.772 121.300 -0.127 0.000 2.318 626 W HA 0.275 4.932 4.660 -0.004 0.000 0.362 626 W C 0.303 176.674 176.519 -0.246 0.000 0.978 626 W CA -0.488 56.689 57.345 -0.281 0.000 1.509 626 W CB 0.347 29.438 29.460 -0.614 0.000 1.437 626 W HN 0.211 nan 8.180 nan 0.000 0.361 627 E N 2.044 122.256 120.200 0.019 0.000 2.179 627 E HA 0.065 4.413 4.350 -0.004 0.000 0.275 627 E C -0.620 176.044 176.600 0.107 0.000 0.945 627 E CA -1.443 54.969 56.400 0.020 0.000 0.792 627 E CB 1.291 30.974 29.700 -0.029 0.000 1.125 627 E HN 0.154 nan 8.360 nan 0.000 0.397 628 Y N 2.738 123.000 120.300 -0.062 0.000 2.887 628 Y HA -0.096 4.452 4.550 -0.004 0.000 0.350 628 Y C -0.333 175.559 175.900 -0.013 0.000 1.294 628 Y CA -0.108 57.960 58.100 -0.052 0.000 1.622 628 Y CB -0.095 38.223 38.460 -0.237 0.000 1.201 628 Y HN 0.298 nan 8.280 nan 0.000 0.546 629 S N 7.124 123.106 115.700 0.470 0.000 2.461 629 S HA 0.318 4.785 4.470 -0.004 0.000 0.322 629 S C 0.832 175.612 174.600 0.300 0.000 1.063 629 S CA -0.814 57.504 58.200 0.197 0.000 1.120 629 S CB 0.461 63.765 63.200 0.174 0.000 0.968 629 S HN 0.830 nan 8.310 nan 0.000 0.467 630 K N 3.614 124.024 120.400 0.017 0.000 2.103 630 K HA -0.120 4.197 4.320 -0.004 0.000 0.207 630 K C 1.758 178.468 176.600 0.184 0.000 1.048 630 K CA 1.325 57.724 56.287 0.186 0.000 0.930 630 K CB -0.058 32.430 32.500 -0.020 0.000 0.716 630 K HN 0.644 nan 8.250 nan 0.000 0.444 631 K N 0.815 121.281 120.400 0.111 0.000 2.044 631 K HA -0.164 4.154 4.320 -0.004 0.000 0.210 631 K C 2.227 178.910 176.600 0.139 0.000 1.049 631 K CA 1.430 57.779 56.287 0.102 0.000 0.927 631 K CB -0.287 32.256 32.500 0.071 0.000 0.713 631 K HN 0.101 nan 8.250 nan 0.000 0.443 632 L N 0.544 121.870 121.223 0.172 0.000 2.034 632 L HA -0.113 4.224 4.340 -0.004 0.000 0.203 632 L C 2.521 179.540 176.870 0.249 0.000 1.074 632 L CA 1.248 56.202 54.840 0.190 0.000 0.748 632 L CB -0.983 41.187 42.059 0.186 0.000 0.905 632 L HN 0.161 nan 8.230 nan 0.000 0.439 633 T N 0.168 114.904 114.554 0.305 0.000 2.714 633 T HA -0.225 4.122 4.350 -0.004 0.000 0.268 633 T C 1.725 176.583 174.700 0.264 0.000 1.036 633 T CA 1.484 63.787 62.100 0.339 0.000 1.148 633 T CB -0.759 68.334 68.868 0.374 0.000 0.856 633 T HN 0.611 nan 8.240 nan 0.000 0.462 634 G N 1.306 110.235 108.800 0.216 0.000 2.575 634 G HA2 -0.148 3.810 3.960 -0.004 0.000 0.215 634 G HA3 -0.148 3.810 3.960 -0.004 0.000 0.215 634 G C 1.454 176.432 174.900 0.129 0.000 1.262 634 G CA 0.632 45.818 45.100 0.143 0.000 0.807 634 G HN 0.532 nan 8.290 nan 0.000 0.567 635 I N -0.557 120.095 120.570 0.138 0.000 2.367 635 I HA -0.287 3.880 4.170 -0.004 0.000 0.256 635 I C 2.347 178.569 176.117 0.174 0.000 1.132 635 I CA 1.912 63.289 61.300 0.129 0.000 1.397 635 I CB -0.071 38.000 38.000 0.118 0.000 1.074 635 I HN 0.370 nan 8.210 nan 0.000 0.435 636 Y N 1.210 121.554 120.300 0.074 0.000 2.134 636 Y HA -0.140 4.407 4.550 -0.004 0.000 0.283 636 Y C 2.136 178.069 175.900 0.055 0.000 1.108 636 Y CA 1.591 59.730 58.100 0.064 0.000 1.096 636 Y CB -0.998 37.504 38.460 0.071 0.000 1.005 636 Y HN 0.061 nan 8.280 nan 0.000 0.487 637 L N 0.680 121.687 121.223 -0.361 0.000 2.197 637 L HA -0.304 4.034 4.340 -0.004 0.000 0.215 637 L C 2.061 178.800 176.870 -0.218 0.000 1.095 637 L CA 1.628 56.192 54.840 -0.460 0.000 0.764 637 L CB -0.602 41.350 42.059 -0.177 0.000 0.897 637 L HN 0.333 nan 8.230 nan 0.000 0.436 638 D N -0.351 119.998 120.400 -0.084 0.000 2.078 638 D HA -0.154 4.483 4.640 -0.004 0.000 0.193 638 D C 2.078 178.362 176.300 -0.026 0.000 0.990 638 D CA 1.621 55.605 54.000 -0.026 0.000 0.827 638 D CB -0.553 40.258 40.800 0.018 0.000 0.975 638 D HN 0.349 nan 8.370 nan 0.000 0.451 639 G N 0.849 109.642 108.800 -0.011 0.000 2.442 639 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.219 639 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.219 639 G C 1.574 176.459 174.900 -0.025 0.000 1.141 639 G CA 0.588 45.695 45.100 0.011 0.000 0.763 639 G HN 0.219 nan 8.290 nan 0.000 0.554 640 L N 0.576 121.709 121.223 -0.150 0.000 2.127 640 L HA -0.034 4.303 4.340 -0.004 0.000 0.211 640 L C 2.451 179.338 176.870 0.028 0.000 1.089 640 L CA 2.156 56.862 54.840 -0.223 0.000 0.757 640 L CB -0.389 41.341 42.059 -0.548 0.000 0.899 640 L HN 0.311 nan 8.230 nan 0.000 0.434 641 E N -0.664 119.549 120.200 0.022 0.000 2.051 641 E HA -0.122 4.226 4.350 -0.004 0.000 0.189 641 E C 2.087 178.743 176.600 0.094 0.000 0.979 641 E CA 0.932 57.388 56.400 0.093 0.000 0.803 641 E CB -0.015 29.703 29.700 0.030 0.000 0.761 641 E HN 0.535 nan 8.360 nan 0.000 0.451 642 A N 1.389 124.238 122.820 0.049 0.000 2.032 642 A HA -0.180 4.138 4.320 -0.004 0.000 0.221 642 A C 2.322 179.935 177.584 0.049 0.000 1.165 642 A CA 1.996 54.055 52.037 0.037 0.000 0.645 642 A CB -0.559 18.453 19.000 0.021 0.000 0.807 642 A HN 0.363 nan 8.150 nan 0.000 0.453 643 A N -0.129 122.746 122.820 0.092 0.000 1.855 643 A HA 0.210 4.528 4.320 -0.004 0.000 0.215 643 A C 2.500 180.161 177.584 0.129 0.000 1.191 643 A CA 1.907 54.017 52.037 0.122 0.000 0.613 643 A CB -1.154 17.972 19.000 0.209 0.000 0.829 643 A HN 1.175 nan 8.150 nan 0.000 0.442 644 A N -0.798 122.183 122.820 0.268 0.000 2.131 644 A HA -0.133 4.184 4.320 -0.004 0.000 0.220 644 A C 2.196 179.795 177.584 0.025 0.000 1.158 644 A CA 1.559 53.675 52.037 0.131 0.000 0.665 644 A CB -0.351 18.805 19.000 0.260 0.000 0.795 644 A HN 0.577 nan 8.150 nan 0.000 0.460 645 R N -0.559 119.959 120.500 0.030 0.000 1.981 645 R HA 0.031 4.368 4.340 -0.004 0.000 0.207 645 R C 2.031 178.316 176.300 -0.025 0.000 1.375 645 R CA 1.222 57.322 56.100 0.000 0.000 1.068 645 R CB -0.403 29.901 30.300 0.007 0.000 0.890 645 R HN 0.548 nan 8.270 nan 0.000 0.481 646 S N -0.008 115.679 115.700 -0.021 0.000 2.597 646 S HA 0.294 4.762 4.470 -0.004 0.000 0.224 646 S C 0.825 175.396 174.600 -0.048 0.000 0.955 646 S CA -0.032 58.149 58.200 -0.031 0.000 0.933 646 S CB 0.635 63.823 63.200 -0.021 0.000 0.788 646 S HN 0.735 nan 8.310 nan 0.000 0.488 647 G N 0.976 109.737 108.800 -0.064 0.000 2.584 647 G HA2 0.028 3.985 3.960 -0.004 0.000 0.229 647 G HA3 0.028 3.985 3.960 -0.004 0.000 0.229 647 G C -1.109 173.745 174.900 -0.077 0.000 1.320 647 G CA -0.223 44.816 45.100 -0.101 0.000 0.891 647 G HN 1.313 nan 8.290 nan 0.000 0.573 648 L N -0.881 120.285 121.223 -0.095 0.000 2.676 648 L HA 0.731 5.069 4.340 -0.004 0.000 0.262 648 L C -0.009 176.687 176.870 -0.290 0.000 0.932 648 L CA 0.517 55.260 54.840 -0.161 0.000 0.932 648 L CB 1.695 43.694 42.059 -0.099 0.000 1.355 648 L HN 1.385 nan 8.230 nan 0.000 0.421 649 T N 3.437 117.790 114.554 -0.335 0.000 2.929 649 T HA 0.630 4.978 4.350 -0.004 0.000 0.284 649 T C -0.101 174.293 174.700 -0.509 0.000 1.014 649 T CA 0.013 61.935 62.100 -0.296 0.000 1.051 649 T CB 0.573 69.369 68.868 -0.119 0.000 1.028 649 T HN 0.411 nan 8.240 nan 0.000 0.485 650 F N 1.032 120.997 119.950 0.025 0.000 2.735 650 F HA 0.397 4.922 4.527 -0.004 0.000 0.308 650 F C 1.082 176.876 175.800 -0.009 0.000 1.112 650 F CA -0.647 57.359 58.000 0.010 0.000 1.235 650 F CB 0.158 39.124 39.000 -0.058 0.000 1.027 650 F HN 0.506 nan 8.300 nan 0.000 0.528 651 Q N 0.643 120.499 119.800 0.094 0.000 2.368 651 Q HA 0.217 4.554 4.340 -0.004 0.000 0.331 651 Q C 1.496 177.495 176.000 -0.002 0.000 1.086 651 Q CA 1.606 57.432 55.803 0.038 0.000 1.031 651 Q CB 0.325 29.070 28.738 0.011 0.000 1.125 651 Q HN 0.712 nan 8.270 nan 0.000 0.389 652 G N 2.953 111.716 108.800 -0.063 0.000 2.212 652 G HA2 -0.241 3.716 3.960 -0.004 0.000 0.266 652 G HA3 -0.241 3.716 3.960 -0.004 0.000 0.266 652 G C -0.253 174.450 174.900 -0.328 0.000 0.978 652 G CA 0.287 45.284 45.100 -0.171 0.000 0.632 652 G HN 0.520 nan 8.290 nan 0.000 0.537 653 K N 1.184 121.479 120.400 -0.176 0.000 2.218 653 K HA 0.460 4.778 4.320 -0.004 0.000 0.276 653 K C -0.188 176.235 176.600 -0.295 0.000 1.022 653 K CA -0.340 55.858 56.287 -0.147 0.000 0.946 653 K CB 0.681 33.317 32.500 0.226 0.000 1.000 653 K HN 0.421 nan 8.250 nan 0.000 0.468 654 H N -0.013 118.959 119.070 -0.164 0.000 2.457 654 H HA 0.582 5.135 4.556 -0.004 0.000 0.335 654 H C -0.533 174.748 175.328 -0.079 0.000 1.115 654 H CA -0.772 55.072 56.048 -0.340 0.000 1.219 654 H CB 1.814 31.276 29.762 -0.499 0.000 1.471 654 H HN 0.657 nan 8.280 nan 0.000 0.491 655 A N 2.986 125.841 122.820 0.058 0.000 2.520 655 A HA 0.454 4.771 4.320 -0.004 0.000 0.298 655 A C -1.378 176.281 177.584 0.125 0.000 1.051 655 A CA -0.671 51.438 52.037 0.120 0.000 0.690 655 A CB 1.752 20.772 19.000 0.033 0.000 1.281 655 A HN 0.496 nan 8.150 nan 0.000 0.402 656 L N 2.091 123.384 121.223 0.116 0.000 2.309 656 L HA 0.873 5.211 4.340 -0.004 0.000 0.282 656 L C -0.583 176.283 176.870 -0.006 0.000 1.036 656 L CA -0.132 54.749 54.840 0.067 0.000 0.806 656 L CB 0.846 42.938 42.059 0.055 0.000 1.220 656 L HN 0.708 nan 8.230 nan 0.000 0.429 657 M N 4.845 124.419 119.600 -0.043 0.000 2.213 657 M HA 0.372 4.850 4.480 -0.004 0.000 0.286 657 M C -0.718 175.550 176.300 -0.054 0.000 1.008 657 M CA -0.541 54.716 55.300 -0.073 0.000 0.937 657 M CB 2.176 34.711 32.600 -0.108 0.000 1.600 657 M HN 0.779 nan 8.290 nan 0.000 0.450 658 T N -1.033 113.516 114.554 -0.009 0.000 2.855 658 T HA 0.755 5.103 4.350 -0.004 0.000 0.281 658 T C 0.796 175.574 174.700 0.130 0.000 1.007 658 T CA 0.293 62.425 62.100 0.053 0.000 1.009 658 T CB 1.766 70.681 68.868 0.077 0.000 0.983 658 T HN 1.033 nan 8.240 nan 0.000 0.455 659 G N 1.337 110.224 108.800 0.146 0.000 2.131 659 G HA2 -0.002 3.956 3.960 -0.004 0.000 0.223 659 G HA3 -0.002 3.956 3.960 -0.004 0.000 0.223 659 G C 0.513 175.501 174.900 0.147 0.000 0.990 659 G CA -0.208 44.995 45.100 0.171 0.000 0.671 659 G HN 1.591 nan 8.290 nan 0.000 0.521 660 A N 0.530 123.425 122.820 0.124 0.000 2.840 660 A HA 0.661 4.979 4.320 -0.004 0.000 0.269 660 A C 1.517 179.214 177.584 0.188 0.000 1.439 660 A CA 1.134 53.255 52.037 0.139 0.000 1.083 660 A CB -0.526 18.565 19.000 0.152 0.000 1.019 660 A HN 1.758 nan 8.150 nan 0.000 0.607 661 G N -0.443 108.416 108.800 0.099 0.000 2.664 661 G HA2 0.443 4.401 3.960 -0.004 0.000 0.242 661 G HA3 0.443 4.401 3.960 -0.004 0.000 0.242 661 G C 0.568 175.374 174.900 -0.157 0.000 1.225 661 G CA 0.056 45.143 45.100 -0.022 0.000 0.849 661 G HN 1.099 nan 8.290 nan 0.000 0.581 662 A N -0.319 122.205 122.820 -0.493 0.000 2.567 662 A HA 0.501 4.818 4.320 -0.004 0.000 0.240 662 A C 1.650 179.155 177.584 -0.132 0.000 1.053 662 A CA 1.142 52.836 52.037 -0.572 0.000 0.755 662 A CB -0.555 17.931 19.000 -0.857 0.000 0.978 662 A HN 2.666 nan 8.150 nan 0.000 0.507 663 G N 1.816 110.633 108.800 0.030 0.000 2.273 663 G HA2 -0.034 3.924 3.960 -0.004 0.000 0.280 663 G HA3 -0.034 3.924 3.960 -0.004 0.000 0.280 663 G C 0.335 175.263 174.900 0.047 0.000 1.047 663 G CA 0.978 46.106 45.100 0.047 0.000 0.869 663 G HN 2.277 nan 8.290 nan 0.000 0.502 664 S N -1.617 114.119 115.700 0.061 0.000 2.677 664 S HA 0.755 5.222 4.470 -0.004 0.000 0.304 664 S C 1.454 176.115 174.600 0.102 0.000 1.108 664 S CA -0.452 57.798 58.200 0.083 0.000 0.944 664 S CB 1.831 65.083 63.200 0.088 0.000 1.127 664 S HN 0.207 nan 8.310 nan 0.000 0.511 665 I N 1.177 121.833 120.570 0.142 0.000 2.118 665 I HA -0.146 4.022 4.170 -0.004 0.000 0.241 665 I C 2.755 178.908 176.117 0.060 0.000 1.070 665 I CA 1.868 63.260 61.300 0.153 0.000 1.327 665 I CB -1.157 37.008 38.000 0.276 0.000 1.034 665 I HN 0.951 nan 8.210 nan 0.000 0.405 666 G N 0.550 109.375 108.800 0.043 0.000 2.469 666 G HA2 -0.309 3.648 3.960 -0.004 0.000 0.219 666 G HA3 -0.309 3.648 3.960 -0.004 0.000 0.219 666 G C 1.850 176.715 174.900 -0.058 0.000 1.150 666 G CA 1.016 46.025 45.100 -0.152 0.000 0.763 666 G HN 0.531 nan 8.290 nan 0.000 0.561 667 A N 0.529 123.373 122.820 0.040 0.000 1.883 667 A HA -0.072 4.246 4.320 -0.004 0.000 0.217 667 A C 2.285 179.886 177.584 0.029 0.000 1.186 667 A CA 2.069 54.159 52.037 0.089 0.000 0.624 667 A CB -0.325 18.754 19.000 0.131 0.000 0.822 667 A HN 0.321 nan 8.150 nan 0.000 0.444 668 E N -0.181 120.024 120.200 0.008 0.000 2.028 668 E HA -0.111 4.237 4.350 -0.004 0.000 0.191 668 E C 2.258 178.798 176.600 -0.101 0.000 0.988 668 E CA 1.363 57.751 56.400 -0.020 0.000 0.799 668 E CB -0.830 28.886 29.700 0.026 0.000 0.755 668 E HN 0.361 nan 8.360 nan 0.000 0.447 669 V N 2.094 121.926 119.914 -0.137 0.000 2.380 669 V HA -0.269 3.849 4.120 -0.004 0.000 0.251 669 V C 2.536 178.469 176.094 -0.268 0.000 1.063 669 V CA 1.605 63.760 62.300 -0.243 0.000 1.055 669 V CB -0.690 30.951 31.823 -0.304 0.000 0.657 669 V HN 0.158 nan 8.190 nan 0.000 0.455 670 L N 0.541 121.659 121.223 -0.176 0.000 1.955 670 L HA -0.258 4.079 4.340 -0.004 0.000 0.213 670 L C 2.601 179.400 176.870 -0.118 0.000 1.072 670 L CA 2.151 56.918 54.840 -0.122 0.000 0.755 670 L CB -0.876 41.188 42.059 0.008 0.000 0.888 670 L HN 0.387 nan 8.230 nan 0.000 0.432 671 Q N -0.363 119.383 119.800 -0.091 0.000 2.152 671 Q HA -0.183 4.154 4.340 -0.004 0.000 0.206 671 Q C 2.087 178.012 176.000 -0.125 0.000 0.985 671 Q CA 1.382 57.133 55.803 -0.087 0.000 0.863 671 Q CB -0.831 27.860 28.738 -0.077 0.000 0.904 671 Q HN 0.755 nan 8.270 nan 0.000 0.422 672 G N 1.790 110.436 108.800 -0.257 0.000 2.628 672 G HA2 -0.280 3.677 3.960 -0.004 0.000 0.217 672 G HA3 -0.280 3.677 3.960 -0.004 0.000 0.217 672 G C 1.315 176.103 174.900 -0.187 0.000 1.240 672 G CA 1.186 46.006 45.100 -0.467 0.000 0.792 672 G HN 0.213 nan 8.290 nan 0.000 0.593 673 L N 0.358 121.395 121.223 -0.311 0.000 2.187 673 L HA 0.023 4.360 4.340 -0.004 0.000 0.213 673 L C 2.764 179.607 176.870 -0.045 0.000 1.100 673 L CA 0.617 55.271 54.840 -0.310 0.000 0.765 673 L CB -0.357 41.344 42.059 -0.595 0.000 0.904 673 L HN 0.168 nan 8.230 nan 0.000 0.437 674 L N -1.675 119.522 121.223 -0.043 0.000 2.217 674 L HA -0.122 4.215 4.340 -0.004 0.000 0.211 674 L C 2.471 179.351 176.870 0.018 0.000 1.107 674 L CA 0.726 55.573 54.840 0.012 0.000 0.783 674 L CB -0.298 41.769 42.059 0.012 0.000 0.919 674 L HN 0.204 nan 8.230 nan 0.000 0.442 675 S N -0.423 115.304 115.700 0.044 0.000 2.406 675 S HA 0.021 4.489 4.470 -0.004 0.000 0.228 675 S C 1.161 175.830 174.600 0.114 0.000 1.020 675 S CA 0.543 58.788 58.200 0.074 0.000 0.965 675 S CB -0.195 63.079 63.200 0.124 0.000 0.798 675 S HN 0.503 nan 8.310 nan 0.000 0.488 676 G N 0.016 108.936 108.800 0.199 0.000 2.651 676 G HA2 0.424 4.381 3.960 -0.004 0.000 0.260 676 G HA3 0.424 4.381 3.960 -0.004 0.000 0.260 676 G C 0.679 175.660 174.900 0.134 0.000 1.216 676 G CA -0.201 45.012 45.100 0.189 0.000 0.913 676 G HN 0.339 nan 8.290 nan 0.000 0.535 677 G N -0.646 108.215 108.800 0.102 0.000 3.340 677 G HA2 0.427 4.385 3.960 -0.004 0.000 0.240 677 G HA3 0.427 4.385 3.960 -0.004 0.000 0.240 677 G C 0.626 175.563 174.900 0.061 0.000 1.327 677 G CA 0.630 45.773 45.100 0.071 0.000 1.170 677 G HN 0.889 nan 8.290 nan 0.000 0.520 678 A N 0.634 123.498 122.820 0.073 0.000 2.366 678 A HA 0.557 4.875 4.320 -0.004 0.000 0.272 678 A C 0.379 177.963 177.584 0.001 0.000 1.135 678 A CA -0.440 51.602 52.037 0.009 0.000 0.804 678 A CB 0.570 19.539 19.000 -0.052 0.000 1.064 678 A HN 0.345 nan 8.150 nan 0.000 0.499 679 K N 1.692 122.049 120.400 -0.072 0.000 2.262 679 K HA 0.471 4.789 4.320 -0.004 0.000 0.282 679 K C -0.542 175.938 176.600 -0.199 0.000 1.066 679 K CA -0.327 55.887 56.287 -0.122 0.000 0.901 679 K CB 1.210 33.520 32.500 -0.317 0.000 1.089 679 K HN 0.588 nan 8.250 nan 0.000 0.476 680 V N 0.877 120.837 119.914 0.076 0.000 2.823 680 V HA 0.566 4.684 4.120 -0.004 0.000 0.312 680 V C -0.487 175.830 176.094 0.371 0.000 1.072 680 V CA -1.146 61.257 62.300 0.172 0.000 0.937 680 V CB 1.833 33.679 31.823 0.038 0.000 1.013 680 V HN 0.740 nan 8.190 nan 0.000 0.430 681 I N 3.571 124.364 120.570 0.372 0.000 2.339 681 I HA 0.657 4.824 4.170 -0.004 0.000 0.290 681 I C -0.857 175.270 176.117 0.016 0.000 0.994 681 I CA -0.608 60.784 61.300 0.154 0.000 1.191 681 I CB 1.404 39.437 38.000 0.056 0.000 1.343 681 I HN 0.613 nan 8.210 nan 0.000 0.458 682 V N 5.826 125.697 119.914 -0.072 0.000 2.483 682 V HA 0.448 4.565 4.120 -0.004 0.000 0.295 682 V C 0.273 176.272 176.094 -0.159 0.000 1.035 682 V CA -0.509 61.698 62.300 -0.155 0.000 0.896 682 V CB 1.884 33.512 31.823 -0.326 0.000 0.986 682 V HN 0.811 nan 8.190 nan 0.000 0.447 683 T N 0.583 115.079 114.554 -0.096 0.000 2.829 683 T HA 0.622 4.969 4.350 -0.004 0.000 0.282 683 T C -0.303 174.451 174.700 0.091 0.000 0.990 683 T CA -0.520 61.585 62.100 0.009 0.000 1.028 683 T CB 1.543 70.412 68.868 0.002 0.000 0.951 683 T HN 0.569 nan 8.240 nan 0.000 0.460 684 T N 1.646 116.295 114.554 0.159 0.000 2.848 684 T HA 0.454 4.802 4.350 -0.004 0.000 0.285 684 T C 1.074 175.906 174.700 0.220 0.000 0.995 684 T CA -0.507 61.703 62.100 0.183 0.000 0.970 684 T CB 1.559 70.522 68.868 0.158 0.000 0.976 684 T HN 0.859 nan 8.240 nan 0.000 0.441 685 S N 3.379 119.176 115.700 0.162 0.000 2.575 685 S HA 0.184 4.652 4.470 -0.004 0.000 0.215 685 S C 0.755 175.409 174.600 0.091 0.000 0.966 685 S CA -0.218 58.047 58.200 0.108 0.000 0.911 685 S CB 0.068 63.301 63.200 0.057 0.000 0.780 685 S HN 0.621 nan 8.310 nan 0.000 0.514 686 R N 0.691 121.261 120.500 0.117 0.000 2.701 686 R HA 0.260 4.598 4.340 -0.004 0.000 0.281 686 R C -1.217 175.177 176.300 0.156 0.000 1.367 686 R CA -0.433 55.727 56.100 0.099 0.000 1.510 686 R CB 0.009 30.336 30.300 0.045 0.000 1.306 686 R HN 0.473 nan 8.270 nan 0.000 0.682 687 F N 2.227 122.198 119.950 0.034 0.000 2.506 687 F HA 0.035 4.560 4.527 -0.004 0.000 0.353 687 F C -0.017 175.802 175.800 0.032 0.000 1.194 687 F CA 0.350 58.376 58.000 0.044 0.000 1.048 687 F CB 0.325 39.341 39.000 0.026 0.000 1.160 687 F HN 0.110 nan 8.300 nan 0.000 0.598 688 S N 5.479 121.278 115.700 0.165 0.000 2.748 688 S HA 0.376 4.844 4.470 -0.004 0.000 0.299 688 S C 1.144 175.796 174.600 0.086 0.000 1.119 688 S CA -0.975 57.316 58.200 0.151 0.000 0.997 688 S CB 1.698 64.934 63.200 0.059 0.000 1.223 688 S HN 0.779 nan 8.310 nan 0.000 0.541 689 R N 0.588 121.139 120.500 0.084 0.000 2.062 689 R HA -0.050 4.288 4.340 -0.004 0.000 0.229 689 R C 2.329 178.629 176.300 0.000 0.000 1.128 689 R CA 1.218 57.346 56.100 0.046 0.000 0.960 689 R CB -0.423 29.908 30.300 0.052 0.000 0.855 689 R HN 0.737 nan 8.270 nan 0.000 0.432 690 Q N 0.481 120.281 119.800 0.000 0.000 2.112 690 Q HA -0.155 4.183 4.340 -0.004 0.000 0.206 690 Q C 1.917 177.898 176.000 -0.033 0.000 0.987 690 Q CA 2.159 57.952 55.803 -0.018 0.000 0.858 690 Q CB 0.035 28.761 28.738 -0.021 0.000 0.905 690 Q HN 0.325 nan 8.270 nan 0.000 0.420 691 V N 0.397 120.278 119.914 -0.055 0.000 2.358 691 V HA -0.216 3.902 4.120 -0.004 0.000 0.246 691 V C 2.386 178.497 176.094 0.029 0.000 1.047 691 V CA 2.041 64.298 62.300 -0.072 0.000 1.035 691 V CB -0.883 30.901 31.823 -0.066 0.000 0.658 691 V HN 0.430 nan 8.190 nan 0.000 0.452 692 T N -0.285 114.224 114.554 -0.074 0.000 2.635 692 T HA -0.252 4.096 4.350 -0.004 0.000 0.267 692 T C 1.839 176.565 174.700 0.043 0.000 1.040 692 T CA 2.045 64.130 62.100 -0.025 0.000 1.156 692 T CB -0.246 68.567 68.868 -0.091 0.000 0.863 692 T HN 0.592 nan 8.240 nan 0.000 0.430 693 E N -0.357 119.830 120.200 -0.021 0.000 2.038 693 E HA -0.177 4.170 4.350 -0.004 0.000 0.195 693 E C 1.921 178.441 176.600 -0.133 0.000 1.000 693 E CA 1.421 57.765 56.400 -0.094 0.000 0.803 693 E CB -0.358 29.293 29.700 -0.081 0.000 0.750 693 E HN 0.624 nan 8.360 nan 0.000 0.448 694 Y N 0.723 120.887 120.300 -0.227 0.000 2.002 694 Y HA -0.397 4.151 4.550 -0.004 0.000 0.268 694 Y C 2.066 177.762 175.900 -0.340 0.000 1.177 694 Y CA 2.214 60.130 58.100 -0.308 0.000 1.111 694 Y CB -0.723 37.496 38.460 -0.402 0.000 0.952 694 Y HN 0.097 nan 8.280 nan 0.000 0.491 695 Y N 0.302 120.609 120.300 0.012 0.000 2.274 695 Y HA -0.316 4.232 4.550 -0.004 0.000 0.290 695 Y C 2.761 178.400 175.900 -0.435 0.000 1.145 695 Y CA 1.452 59.472 58.100 -0.134 0.000 1.203 695 Y CB -0.617 37.891 38.460 0.079 0.000 0.984 695 Y HN 0.404 nan 8.280 nan 0.000 0.533 696 Q N 0.535 120.011 119.800 -0.540 0.000 2.020 696 Q HA -0.120 4.218 4.340 -0.004 0.000 0.202 696 Q C 2.487 178.137 176.000 -0.584 0.000 0.982 696 Q CA 2.136 57.420 55.803 -0.865 0.000 0.838 696 Q CB -1.095 27.157 28.738 -0.810 0.000 0.899 696 Q HN 0.345 nan 8.270 nan 0.000 0.423 697 G N 1.251 109.753 108.800 -0.496 0.000 2.505 697 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.220 697 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.220 697 G C 1.495 176.136 174.900 -0.431 0.000 1.145 697 G CA 1.283 46.107 45.100 -0.460 0.000 0.761 697 G HN 0.426 nan 8.290 nan 0.000 0.571 698 I N -0.964 119.342 120.570 -0.441 0.000 2.090 698 I HA -0.192 3.975 4.170 -0.004 0.000 0.236 698 I C 2.437 178.426 176.117 -0.213 0.000 1.064 698 I CA 1.539 62.644 61.300 -0.325 0.000 1.324 698 I CB -0.432 37.398 38.000 -0.282 0.000 1.044 698 I HN 0.229 nan 8.210 nan 0.000 0.399 699 Y N 1.658 121.792 120.300 -0.278 0.000 2.315 699 Y HA -0.255 4.292 4.550 -0.004 0.000 0.288 699 Y C 2.405 178.164 175.900 -0.235 0.000 1.154 699 Y CA 1.231 59.221 58.100 -0.183 0.000 1.229 699 Y CB -0.210 38.179 38.460 -0.118 0.000 0.980 699 Y HN 0.167 nan 8.280 nan 0.000 0.540 700 A N 0.024 122.604 122.820 -0.401 0.000 2.015 700 A HA -0.106 4.211 4.320 -0.004 0.000 0.219 700 A C 2.124 179.538 177.584 -0.282 0.000 1.163 700 A CA 1.611 53.287 52.037 -0.602 0.000 0.646 700 A CB -0.274 18.202 19.000 -0.872 0.000 0.806 700 A HN 0.530 nan 8.150 nan 0.000 0.448 701 R N -2.764 117.580 120.500 -0.260 0.000 2.446 701 R HA 0.214 4.551 4.340 -0.004 0.000 0.254 701 R C 0.857 177.065 176.300 -0.153 0.000 0.918 701 R CA 0.513 56.508 56.100 -0.174 0.000 1.069 701 R CB 0.252 30.449 30.300 -0.172 0.000 1.194 701 R HN 0.521 nan 8.270 nan 0.000 0.534 702 C N -1.036 118.144 119.300 -0.200 0.000 3.095 702 C HA 0.266 4.723 4.460 -0.004 0.000 0.472 702 C C 1.438 176.298 174.990 -0.217 0.000 1.348 702 C CA -0.512 58.411 59.018 -0.158 0.000 2.206 702 C CB 0.174 27.843 27.740 -0.119 0.000 3.088 702 C HN 0.488 nan 8.230 nan 0.000 0.599 703 G N 2.094 110.615 108.800 -0.465 0.000 2.472 703 G HA2 0.423 4.380 3.960 -0.004 0.000 0.291 703 G HA3 0.423 4.380 3.960 -0.004 0.000 0.291 703 G C 0.438 175.138 174.900 -0.332 0.000 0.898 703 G CA 0.772 45.439 45.100 -0.722 0.000 1.645 703 G HN 0.681 nan 8.290 nan 0.000 0.459 704 A N 3.469 126.210 122.820 -0.132 0.000 2.386 704 A HA 0.503 4.821 4.320 -0.004 0.000 0.246 704 A C 1.138 178.729 177.584 0.012 0.000 1.089 704 A CA -0.566 51.450 52.037 -0.035 0.000 0.790 704 A CB 0.292 19.297 19.000 0.007 0.000 1.042 704 A HN 0.781 nan 8.150 nan 0.000 0.497 705 R N -0.413 120.112 120.500 0.041 0.000 2.619 705 R HA 0.197 4.535 4.340 -0.004 0.000 0.268 705 R C 1.404 177.753 176.300 0.081 0.000 0.990 705 R CA 1.636 57.781 56.100 0.075 0.000 1.092 705 R CB -0.241 30.098 30.300 0.065 0.000 0.935 705 R HN 1.722 nan 8.270 nan 0.000 0.415 706 G N 1.862 110.727 108.800 0.109 0.000 2.267 706 G HA2 -0.369 3.589 3.960 -0.004 0.000 0.257 706 G HA3 -0.369 3.589 3.960 -0.004 0.000 0.257 706 G C 0.132 175.104 174.900 0.121 0.000 0.998 706 G CA 0.552 45.712 45.100 0.099 0.000 0.620 706 G HN 0.873 nan 8.290 nan 0.000 0.529 707 S N -0.647 115.146 115.700 0.155 0.000 2.600 707 S HA 0.619 5.086 4.470 -0.004 0.000 0.265 707 S C -0.128 174.682 174.600 0.350 0.000 1.325 707 S CA 0.845 59.173 58.200 0.214 0.000 1.002 707 S CB 1.929 65.243 63.200 0.191 0.000 0.921 707 S HN 1.066 nan 8.310 nan 0.000 0.554 708 Q N 0.327 120.329 119.800 0.337 0.000 2.352 708 Q HA 0.524 4.861 4.340 -0.004 0.000 0.270 708 Q C -2.112 174.009 176.000 0.202 0.000 1.006 708 Q CA -0.554 55.394 55.803 0.241 0.000 0.880 708 Q CB 1.616 30.483 28.738 0.215 0.000 1.392 708 Q HN 0.833 nan 8.270 nan 0.000 0.401 709 L N 4.043 125.259 121.223 -0.012 0.000 2.341 709 L HA 0.702 5.040 4.340 -0.004 0.000 0.278 709 L C -1.396 175.482 176.870 0.014 0.000 1.005 709 L CA -0.865 54.026 54.840 0.084 0.000 0.818 709 L CB 1.939 44.091 42.059 0.156 0.000 1.259 709 L HN 0.513 nan 8.230 nan 0.000 0.418 710 V N 5.602 125.539 119.914 0.038 0.000 2.357 710 V HA 0.318 4.436 4.120 -0.004 0.000 0.281 710 V C -0.034 176.007 176.094 -0.088 0.000 1.015 710 V CA -0.565 61.693 62.300 -0.069 0.000 0.827 710 V CB 1.823 33.599 31.823 -0.077 0.000 1.018 710 V HN 0.471 nan 8.190 nan 0.000 0.432 711 V N 4.946 124.773 119.914 -0.145 0.000 2.743 711 V HA 0.755 4.872 4.120 -0.004 0.000 0.301 711 V C -0.071 175.995 176.094 -0.046 0.000 1.057 711 V CA -0.586 61.615 62.300 -0.166 0.000 1.006 711 V CB 1.915 33.599 31.823 -0.232 0.000 1.024 711 V HN 0.524 nan 8.190 nan 0.000 0.473 712 V N 3.646 123.582 119.914 0.036 0.000 3.023 712 V HA 0.410 4.528 4.120 -0.004 0.000 0.294 712 V C -2.729 173.558 176.094 0.321 0.000 1.324 712 V CA -1.273 61.135 62.300 0.180 0.000 0.979 712 V CB 3.102 35.019 31.823 0.157 0.000 1.093 712 V HN 0.801 nan 8.190 nan 0.000 0.434 713 P HA 0.596 nan 4.420 nan 0.000 0.278 713 P C -1.333 176.212 177.300 0.408 0.000 1.238 713 P CA -0.221 63.096 63.100 0.363 0.000 0.794 713 P CB 0.715 32.451 31.700 0.060 0.000 0.955 714 F N 0.885 120.922 119.950 0.146 0.000 2.725 714 F HA 0.365 4.890 4.527 -0.004 0.000 0.311 714 F C -2.086 173.748 175.800 0.056 0.000 1.121 714 F CA -0.600 57.472 58.000 0.121 0.000 0.978 714 F CB 1.579 40.640 39.000 0.102 0.000 1.274 714 F HN 0.310 nan 8.300 nan 0.000 0.440 715 N N 5.290 123.452 118.700 -0.898 0.000 2.540 715 N HA 0.148 4.886 4.740 -0.004 0.000 0.275 715 N C -0.295 174.599 175.510 -1.026 0.000 1.053 715 N CA -0.280 52.353 53.050 -0.695 0.000 0.876 715 N CB 1.900 40.166 38.487 -0.368 0.000 1.284 715 N HN 0.983 nan 8.380 nan 0.000 0.518 716 Q N 2.433 121.801 119.800 -0.721 0.000 2.437 716 Q HA 0.001 4.338 4.340 -0.004 0.000 0.210 716 Q C 1.525 177.383 176.000 -0.237 0.000 0.972 716 Q CA 1.040 56.623 55.803 -0.366 0.000 0.903 716 Q CB 0.063 28.875 28.738 0.123 0.000 0.967 716 Q HN 0.821 nan 8.270 nan 0.000 0.486 717 G N -0.164 108.481 108.800 -0.259 0.000 2.776 717 G HA2 -0.104 3.854 3.960 -0.004 0.000 0.209 717 G HA3 -0.104 3.854 3.960 -0.004 0.000 0.209 717 G C 0.261 175.010 174.900 -0.251 0.000 1.145 717 G CA 0.393 45.356 45.100 -0.227 0.000 0.791 717 G HN 0.225 nan 8.290 nan 0.000 0.530 718 S N -0.239 115.291 115.700 -0.283 0.000 2.566 718 S HA 0.312 4.779 4.470 -0.004 0.000 0.324 718 S C 1.222 175.718 174.600 -0.174 0.000 1.081 718 S CA -0.567 57.492 58.200 -0.235 0.000 1.105 718 S CB 1.328 64.376 63.200 -0.252 0.000 0.981 718 S HN 0.297 nan 8.310 nan 0.000 0.464 719 K N 3.879 124.206 120.400 -0.122 0.000 2.107 719 K HA -0.243 4.074 4.320 -0.004 0.000 0.211 719 K C 1.662 178.220 176.600 -0.070 0.000 1.049 719 K CA 2.090 58.329 56.287 -0.080 0.000 0.927 719 K CB -0.169 32.293 32.500 -0.064 0.000 0.714 719 K HN 0.795 nan 8.250 nan 0.000 0.452 720 Q N 0.106 119.857 119.800 -0.082 0.000 2.050 720 Q HA -0.169 4.169 4.340 -0.004 0.000 0.202 720 Q C 1.893 177.870 176.000 -0.039 0.000 0.980 720 Q CA 1.622 57.390 55.803 -0.059 0.000 0.840 720 Q CB -0.119 28.580 28.738 -0.065 0.000 0.898 720 Q HN 0.390 nan 8.270 nan 0.000 0.424 721 D N 0.147 120.510 120.400 -0.061 0.000 2.092 721 D HA -0.146 4.492 4.640 -0.004 0.000 0.193 721 D C 2.005 178.368 176.300 0.106 0.000 0.994 721 D CA 0.966 54.956 54.000 -0.016 0.000 0.828 721 D CB -0.299 40.352 40.800 -0.247 0.000 0.963 721 D HN -0.014 nan 8.370 nan 0.000 0.450 722 V N 0.810 120.804 119.914 0.132 0.000 2.231 722 V HA -0.307 3.811 4.120 -0.004 0.000 0.250 722 V C 2.277 178.376 176.094 0.009 0.000 1.058 722 V CA 2.186 64.596 62.300 0.184 0.000 1.022 722 V CB -0.549 31.324 31.823 0.083 0.000 0.640 722 V HN 0.240 nan 8.190 nan 0.000 0.445 723 E N -0.408 119.772 120.200 -0.033 0.000 2.150 723 E HA -0.119 4.229 4.350 -0.004 0.000 0.193 723 E C 2.219 178.767 176.600 -0.087 0.000 0.985 723 E CA 1.128 57.487 56.400 -0.068 0.000 0.814 723 E CB -0.328 29.335 29.700 -0.061 0.000 0.752 723 E HN 0.633 nan 8.360 nan 0.000 0.466 724 A N 1.115 123.880 122.820 -0.092 0.000 1.872 724 A HA -0.131 4.187 4.320 -0.004 0.000 0.214 724 A C 2.116 179.450 177.584 -0.417 0.000 1.187 724 A CA 0.752 52.718 52.037 -0.119 0.000 0.614 724 A CB -0.658 18.351 19.000 0.015 0.000 0.826 724 A HN 0.270 nan 8.150 nan 0.000 0.442 725 L N 0.074 120.880 121.223 -0.696 0.000 1.956 725 L HA -0.220 4.118 4.340 -0.004 0.000 0.216 725 L C 2.488 179.141 176.870 -0.361 0.000 1.073 725 L CA 2.208 56.515 54.840 -0.889 0.000 0.762 725 L CB -0.463 41.220 42.059 -0.625 0.000 0.889 725 L HN 0.262 nan 8.230 nan 0.000 0.433 726 V N 0.671 120.456 119.914 -0.215 0.000 2.317 726 V HA -0.368 3.750 4.120 -0.004 0.000 0.251 726 V C 2.299 178.389 176.094 -0.006 0.000 1.065 726 V CA 2.271 64.518 62.300 -0.089 0.000 1.049 726 V CB -0.966 30.778 31.823 -0.131 0.000 0.651 726 V HN 0.562 nan 8.190 nan 0.000 0.450 727 N N -0.823 117.856 118.700 -0.036 0.000 2.142 727 N HA -0.181 4.556 4.740 -0.004 0.000 0.186 727 N C 1.738 177.310 175.510 0.103 0.000 1.023 727 N CA 1.667 54.736 53.050 0.031 0.000 0.852 727 N CB -0.609 37.890 38.487 0.021 0.000 0.998 727 N HN 0.628 nan 8.380 nan 0.000 0.424 728 Y N 1.977 122.265 120.300 -0.020 0.000 2.151 728 Y HA -0.123 4.425 4.550 -0.004 0.000 0.284 728 Y C 2.149 178.008 175.900 -0.068 0.000 1.166 728 Y CA 1.300 59.412 58.100 0.020 0.000 1.163 728 Y CB -0.468 38.101 38.460 0.182 0.000 0.974 728 Y HN 0.008 nan 8.280 nan 0.000 0.511 729 I N -1.262 119.259 120.570 -0.080 0.000 2.264 729 I HA -0.365 3.802 4.170 -0.004 0.000 0.248 729 I C 1.565 177.576 176.117 -0.178 0.000 1.111 729 I CA 1.867 63.042 61.300 -0.208 0.000 1.382 729 I CB -0.534 37.492 38.000 0.044 0.000 1.060 729 I HN 0.257 nan 8.210 nan 0.000 0.418 730 Y N -0.270 119.962 120.300 -0.114 0.000 2.507 730 Y HA 0.057 4.605 4.550 -0.004 0.000 0.263 730 Y C 0.894 176.771 175.900 -0.038 0.000 1.093 730 Y CA -0.615 57.475 58.100 -0.017 0.000 1.285 730 Y CB 0.178 38.659 38.460 0.035 0.000 1.115 730 Y HN 0.039 nan 8.280 nan 0.000 0.533 731 D N 0.705 121.134 120.400 0.049 0.000 2.472 731 D HA -0.077 4.561 4.640 -0.004 0.000 0.248 731 D C 1.430 177.710 176.300 -0.032 0.000 1.174 731 D CA 0.787 54.796 54.000 0.014 0.000 0.883 731 D CB 1.136 41.941 40.800 0.008 0.000 1.149 731 D HN 0.326 nan 8.370 nan 0.000 0.488 732 T N 1.920 116.479 114.554 0.008 0.000 2.701 732 T HA -0.179 4.168 4.350 -0.004 0.000 0.263 732 T C 1.563 176.251 174.700 -0.021 0.000 1.040 732 T CA 1.202 63.303 62.100 0.002 0.000 1.147 732 T CB -0.086 68.802 68.868 0.033 0.000 0.865 732 T HN 0.361 nan 8.240 nan 0.000 0.426 733 K N 1.100 121.494 120.400 -0.011 0.000 1.974 733 K HA 0.105 4.423 4.320 -0.004 0.000 0.211 733 K C 2.313 178.901 176.600 -0.019 0.000 1.039 733 K CA 1.503 57.783 56.287 -0.010 0.000 0.947 733 K CB -0.091 32.409 32.500 -0.000 0.000 0.735 733 K HN 0.236 nan 8.250 nan 0.000 0.441 734 N N -0.005 118.690 118.700 -0.009 0.000 2.299 734 N HA 0.058 4.795 4.740 -0.004 0.000 0.187 734 N C 0.598 176.107 175.510 -0.001 0.000 1.099 734 N CA 0.308 53.362 53.050 0.006 0.000 0.867 734 N CB 0.557 39.063 38.487 0.032 0.000 0.974 734 N HN 0.190 nan 8.380 nan 0.000 0.477 735 G N 0.486 109.237 108.800 -0.082 0.000 2.508 735 G HA2 0.347 4.304 3.960 -0.004 0.000 0.278 735 G HA3 0.347 4.304 3.960 -0.004 0.000 0.278 735 G C 0.778 175.364 174.900 -0.523 0.000 1.389 735 G CA -0.514 44.400 45.100 -0.311 0.000 1.050 735 G HN 0.238 nan 8.290 nan 0.000 0.522 736 L N -1.552 119.120 121.223 -0.919 0.000 2.685 736 L HA 0.430 4.767 4.340 -0.004 0.000 0.233 736 L C 1.174 177.679 176.870 -0.609 0.000 1.173 736 L CA 0.329 54.684 54.840 -0.808 0.000 0.961 736 L CB -0.426 40.937 42.059 -1.161 0.000 1.217 736 L HN 0.800 nan 8.230 nan 0.000 0.478 737 G N 0.743 109.324 108.800 -0.366 0.000 2.424 737 G HA2 -0.266 3.691 3.960 -0.004 0.000 0.290 737 G HA3 -0.266 3.691 3.960 -0.004 0.000 0.290 737 G C -0.140 174.738 174.900 -0.037 0.000 0.912 737 G CA 0.412 45.428 45.100 -0.141 0.000 1.142 737 G HN 0.567 nan 8.290 nan 0.000 0.501 738 W N -0.730 120.313 121.300 -0.430 0.000 2.169 738 W HA 0.719 5.377 4.660 -0.004 0.000 0.447 738 W C 0.321 176.437 176.519 -0.672 0.000 1.829 738 W CA -0.959 56.036 57.345 -0.584 0.000 2.025 738 W CB 0.739 29.797 29.460 -0.669 0.000 1.542 738 W HN 0.196 nan 8.180 nan 0.000 0.727 739 D N -0.217 120.000 120.400 -0.305 0.000 2.947 739 D HA 0.349 4.986 4.640 -0.004 0.000 0.224 739 D C -1.406 174.859 176.300 -0.058 0.000 1.230 739 D CA -0.426 53.355 54.000 -0.366 0.000 0.871 739 D CB 1.403 41.971 40.800 -0.386 0.000 1.671 739 D HN 0.134 nan 8.370 nan 0.000 0.507 740 L N 2.798 124.065 121.223 0.074 0.000 2.350 740 L HA 0.344 4.682 4.340 -0.004 0.000 0.275 740 L C 0.844 177.771 176.870 0.095 0.000 1.099 740 L CA -0.474 54.454 54.840 0.147 0.000 0.808 740 L CB 1.188 43.382 42.059 0.223 0.000 1.149 740 L HN 0.421 nan 8.230 nan 0.000 0.442 741 D N 0.805 121.238 120.400 0.056 0.000 2.463 741 D HA 0.086 4.724 4.640 -0.004 0.000 0.237 741 D C -0.466 175.667 176.300 -0.277 0.000 1.013 741 D CA 1.014 54.943 54.000 -0.119 0.000 0.910 741 D CB 0.544 41.261 40.800 -0.139 0.000 1.080 741 D HN 0.280 nan 8.370 nan 0.000 0.498 742 Y N -0.345 119.960 120.300 0.008 0.000 2.536 742 Y HA 0.543 5.090 4.550 -0.004 0.000 0.347 742 Y C -0.308 175.596 175.900 0.007 0.000 1.000 742 Y CA -1.066 57.029 58.100 -0.008 0.000 1.051 742 Y CB 2.535 40.945 38.460 -0.083 0.000 1.259 742 Y HN -0.436 nan 8.280 nan 0.000 0.468 743 V N 2.766 122.780 119.914 0.167 0.000 2.569 743 V HA 0.412 4.530 4.120 -0.004 0.000 0.301 743 V C -1.143 175.005 176.094 0.090 0.000 1.044 743 V CA -0.815 61.547 62.300 0.103 0.000 0.874 743 V CB 1.900 33.773 31.823 0.083 0.000 1.002 743 V HN 0.558 nan 8.190 nan 0.000 0.424 744 V N 6.827 126.768 119.914 0.046 0.000 2.313 744 V HA 0.295 4.412 4.120 -0.004 0.000 0.262 744 V C -2.445 173.747 176.094 0.163 0.000 1.011 744 V CA -1.433 60.890 62.300 0.037 0.000 0.858 744 V CB 1.368 33.048 31.823 -0.238 0.000 1.104 744 V HN 0.729 nan 8.190 nan 0.000 0.456 745 P HA 0.207 nan 4.420 nan 0.000 0.231 745 P C 0.178 177.676 177.300 0.329 0.000 1.756 745 P CA 0.028 63.261 63.100 0.221 0.000 0.990 745 P CB -0.321 31.443 31.700 0.107 0.000 1.973 746 F N 0.422 120.379 119.950 0.013 0.000 2.664 746 F HA 0.273 4.798 4.527 -0.004 0.000 0.301 746 F C 1.436 177.261 175.800 0.041 0.000 1.126 746 F CA -1.165 56.848 58.000 0.022 0.000 1.373 746 F CB -0.842 38.170 39.000 0.019 0.000 1.042 746 F HN 0.055 nan 8.300 nan 0.000 0.535 747 A N 0.997 123.937 122.820 0.199 0.000 2.492 747 A HA 0.636 4.953 4.320 -0.004 0.000 0.254 747 A C 0.265 177.909 177.584 0.099 0.000 1.091 747 A CA 0.523 52.650 52.037 0.150 0.000 0.768 747 A CB -0.264 18.835 19.000 0.165 0.000 1.028 747 A HN 0.370 nan 8.150 nan 0.000 0.498 748 A N 2.587 125.459 122.820 0.086 0.000 2.594 748 A HA 0.659 4.977 4.320 -0.004 0.000 0.296 748 A C -0.952 176.663 177.584 0.052 0.000 1.061 748 A CA -0.439 51.641 52.037 0.071 0.000 0.689 748 A CB 0.834 19.879 19.000 0.075 0.000 1.280 748 A HN 0.751 nan 8.150 nan 0.000 0.406 749 I N 1.750 122.352 120.570 0.052 0.000 2.474 749 I HA 0.374 4.541 4.170 -0.004 0.000 0.294 749 I C -2.332 173.792 176.117 0.012 0.000 1.005 749 I CA -2.252 59.066 61.300 0.029 0.000 1.113 749 I CB 2.479 40.499 38.000 0.034 0.000 1.289 749 I HN 0.360 nan 8.210 nan 0.000 0.436 750 P HA 0.080 nan 4.420 nan 0.000 0.268 750 P C -0.431 176.846 177.300 -0.038 0.000 1.282 750 P CA -0.066 62.998 63.100 -0.060 0.000 0.880 750 P CB 0.032 31.697 31.700 -0.058 0.000 0.971 751 E N 1.120 121.297 120.200 -0.038 0.000 2.411 751 E HA 0.079 4.427 4.350 -0.004 0.000 0.204 751 E C 0.163 176.745 176.600 -0.030 0.000 1.059 751 E CA -0.722 55.673 56.400 -0.008 0.000 1.112 751 E CB -0.212 29.511 29.700 0.038 0.000 1.168 751 E HN 0.220 nan 8.360 nan 0.000 0.445 752 N N 1.402 120.064 118.700 -0.063 0.000 2.294 752 N HA -0.058 4.679 4.740 -0.004 0.000 0.248 752 N C 1.057 176.548 175.510 -0.033 0.000 1.242 752 N CA 1.957 54.967 53.050 -0.068 0.000 0.848 752 N CB 0.775 39.214 38.487 -0.080 0.000 1.084 752 N HN 0.455 nan 8.380 nan 0.000 0.457 753 G N 2.138 110.924 108.800 -0.024 0.000 2.195 753 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.224 753 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.224 753 G C -0.378 174.523 174.900 0.001 0.000 0.990 753 G CA 0.153 45.247 45.100 -0.009 0.000 0.639 753 G HN 0.786 nan 8.290 nan 0.000 0.514 754 R N 0.854 121.357 120.500 0.005 0.000 2.437 754 R HA 0.690 5.027 4.340 -0.004 0.000 0.310 754 R C -0.441 175.869 176.300 0.016 0.000 0.955 754 R CA -0.827 55.280 56.100 0.011 0.000 0.851 754 R CB 1.883 32.190 30.300 0.012 0.000 1.161 754 R HN 0.362 nan 8.270 nan 0.000 0.446 755 E N 1.788 121.997 120.200 0.015 0.000 2.330 755 E HA 0.114 4.462 4.350 -0.004 0.000 0.256 755 E C 1.296 177.902 176.600 0.011 0.000 1.146 755 E CA -0.554 55.856 56.400 0.017 0.000 0.945 755 E CB 1.155 30.865 29.700 0.015 0.000 1.182 755 E HN 0.709 nan 8.360 nan 0.000 0.480 756 I N -1.272 119.304 120.570 0.009 0.000 2.530 756 I HA -0.253 3.914 4.170 -0.004 0.000 0.257 756 I C 1.575 177.692 176.117 -0.000 0.000 1.179 756 I CA 1.284 62.584 61.300 0.001 0.000 1.440 756 I CB -0.146 37.854 38.000 0.000 0.000 1.087 756 I HN 0.443 nan 8.210 nan 0.000 0.440 757 D N 2.439 122.841 120.400 0.003 0.000 2.248 757 D HA -0.227 4.410 4.640 -0.004 0.000 0.189 757 D C 0.679 176.978 176.300 -0.001 0.000 1.011 757 D CA 2.167 56.168 54.000 0.002 0.000 0.868 757 D CB -0.006 40.797 40.800 0.004 0.000 0.931 757 D HN 0.660 nan 8.370 nan 0.000 0.449 758 S N -0.529 115.172 115.700 0.001 0.000 2.413 758 S HA 0.400 4.867 4.470 -0.004 0.000 0.170 758 S C -0.497 174.105 174.600 0.003 0.000 1.294 758 S CA -0.836 57.364 58.200 0.000 0.000 1.201 758 S CB 0.255 63.457 63.200 0.003 0.000 1.328 758 S HN 0.026 nan 8.310 nan 0.000 0.418 759 I N 4.625 125.193 120.570 -0.002 0.000 2.311 759 I HA 0.222 4.389 4.170 -0.004 0.000 0.297 759 I C 0.727 176.846 176.117 0.004 0.000 1.131 759 I CA 0.035 61.336 61.300 0.002 0.000 1.289 759 I CB -0.018 37.977 38.000 -0.008 0.000 1.446 759 I HN 0.665 nan 8.210 nan 0.000 0.524 760 D N 2.979 123.389 120.400 0.017 0.000 2.496 760 D HA 0.126 4.764 4.640 -0.004 0.000 0.283 760 D C 1.330 177.654 176.300 0.039 0.000 1.214 760 D CA -0.429 53.583 54.000 0.020 0.000 1.089 760 D CB 0.148 40.963 40.800 0.025 0.000 1.141 760 D HN 0.214 nan 8.370 nan 0.000 0.580 761 S N -1.101 114.632 115.700 0.055 0.000 2.356 761 S HA -0.209 4.258 4.470 -0.004 0.000 0.223 761 S C 1.741 176.434 174.600 0.154 0.000 1.032 761 S CA 1.879 60.142 58.200 0.106 0.000 1.005 761 S CB -0.451 62.821 63.200 0.119 0.000 0.867 761 S HN 0.522 nan 8.310 nan 0.000 0.449 762 K N 0.402 120.866 120.400 0.107 0.000 2.032 762 K HA -0.090 4.227 4.320 -0.004 0.000 0.209 762 K C 2.247 178.914 176.600 0.112 0.000 1.048 762 K CA 1.812 58.158 56.287 0.098 0.000 0.927 762 K CB -0.373 32.162 32.500 0.059 0.000 0.712 762 K HN 0.374 nan 8.250 nan 0.000 0.441 763 S N 0.766 116.523 115.700 0.095 0.000 2.359 763 S HA -0.204 4.264 4.470 -0.004 0.000 0.224 763 S C 1.846 176.535 174.600 0.149 0.000 1.035 763 S CA 1.672 59.931 58.200 0.098 0.000 1.018 763 S CB -0.320 62.916 63.200 0.060 0.000 0.876 763 S HN 0.453 nan 8.310 nan 0.000 0.448 764 E N 0.627 120.922 120.200 0.158 0.000 2.110 764 E HA -0.157 4.190 4.350 -0.004 0.000 0.193 764 E C 2.017 178.816 176.600 0.331 0.000 0.988 764 E CA 0.816 57.343 56.400 0.211 0.000 0.804 764 E CB -0.146 29.618 29.700 0.106 0.000 0.745 764 E HN 0.344 nan 8.360 nan 0.000 0.458 765 L N 0.601 122.040 121.223 0.360 0.000 2.027 765 L HA -0.023 4.315 4.340 -0.004 0.000 0.206 765 L C 2.236 179.176 176.870 0.117 0.000 1.074 765 L CA 2.185 57.164 54.840 0.232 0.000 0.745 765 L CB -0.846 41.282 42.059 0.116 0.000 0.898 765 L HN 0.150 nan 8.230 nan 0.000 0.433 766 A N -1.352 121.545 122.820 0.128 0.000 1.883 766 A HA -0.318 4.000 4.320 -0.004 0.000 0.217 766 A C 2.434 180.109 177.584 0.151 0.000 1.186 766 A CA 1.910 54.015 52.037 0.112 0.000 0.624 766 A CB -1.299 17.770 19.000 0.116 0.000 0.822 766 A HN 0.758 nan 8.150 nan 0.000 0.444 767 H N -0.875 118.234 119.070 0.066 0.000 2.422 767 H HA -0.112 4.442 4.556 -0.004 0.000 0.298 767 H C 2.347 177.700 175.328 0.041 0.000 1.098 767 H CA 1.469 57.544 56.048 0.046 0.000 1.315 767 H CB 0.019 29.809 29.762 0.046 0.000 1.382 767 H HN 0.496 nan 8.280 nan 0.000 0.523 768 R N 0.302 120.814 120.500 0.019 0.000 2.115 768 R HA -0.060 4.277 4.340 -0.004 0.000 0.226 768 R C 2.168 178.431 176.300 -0.062 0.000 1.100 768 R CA 1.070 57.136 56.100 -0.056 0.000 0.980 768 R CB 0.064 30.389 30.300 0.041 0.000 0.875 768 R HN 0.324 nan 8.270 nan 0.000 0.445 769 I N -0.085 120.469 120.570 -0.027 0.000 2.277 769 I HA -0.181 3.987 4.170 -0.004 0.000 0.243 769 I C 2.190 178.305 176.117 -0.003 0.000 1.094 769 I CA 1.132 62.419 61.300 -0.021 0.000 1.393 769 I CB -0.035 37.962 38.000 -0.005 0.000 1.078 769 I HN 0.131 nan 8.210 nan 0.000 0.417 770 M N -0.618 118.990 119.600 0.014 0.000 2.562 770 M HA -0.047 4.431 4.480 -0.004 0.000 0.257 770 M C 1.466 177.751 176.300 -0.026 0.000 1.099 770 M CA 1.326 56.636 55.300 0.015 0.000 1.099 770 M CB 0.364 32.999 32.600 0.059 0.000 1.427 770 M HN 0.307 nan 8.290 nan 0.000 0.489 771 L N -2.414 118.761 121.223 -0.080 0.000 3.099 771 L HA 0.143 4.481 4.340 -0.004 0.000 0.165 771 L C 2.061 178.843 176.870 -0.147 0.000 1.151 771 L CA 0.646 55.411 54.840 -0.124 0.000 0.878 771 L CB -0.727 41.230 42.059 -0.168 0.000 1.615 771 L HN 0.154 nan 8.230 nan 0.000 0.545 772 T N -1.125 113.300 114.554 -0.215 0.000 2.699 772 T HA -0.148 4.200 4.350 -0.004 0.000 0.268 772 T C 1.526 176.168 174.700 -0.097 0.000 1.036 772 T CA 2.059 64.069 62.100 -0.150 0.000 1.147 772 T CB -0.728 68.052 68.868 -0.148 0.000 0.862 772 T HN 0.331 nan 8.240 nan 0.000 0.446 773 N N 0.753 119.404 118.700 -0.082 0.000 2.376 773 N HA 0.236 4.974 4.740 -0.004 0.000 0.177 773 N C 1.747 177.237 175.510 -0.033 0.000 1.024 773 N CA 0.234 53.254 53.050 -0.051 0.000 0.893 773 N CB -0.465 37.996 38.487 -0.045 0.000 0.980 773 N HN 0.345 nan 8.380 nan 0.000 0.439 774 L N 0.433 121.632 121.223 -0.040 0.000 1.989 774 L HA -0.118 4.219 4.340 -0.004 0.000 0.211 774 L C 1.801 178.628 176.870 -0.072 0.000 1.071 774 L CA 1.151 55.970 54.840 -0.035 0.000 0.749 774 L CB -0.222 41.812 42.059 -0.041 0.000 0.890 774 L HN 0.120 nan 8.230 nan 0.000 0.431 775 L N -0.659 120.505 121.223 -0.097 0.000 2.079 775 L HA -0.244 4.094 4.340 -0.004 0.000 0.210 775 L C 2.788 179.569 176.870 -0.149 0.000 1.081 775 L CA 1.322 56.080 54.840 -0.137 0.000 0.752 775 L CB -0.445 41.538 42.059 -0.127 0.000 0.896 775 L HN 0.217 nan 8.230 nan 0.000 0.433 776 R N -0.541 119.893 120.500 -0.109 0.000 2.115 776 R HA -0.103 4.235 4.340 -0.004 0.000 0.226 776 R C 2.284 178.523 176.300 -0.101 0.000 1.100 776 R CA 0.913 56.950 56.100 -0.105 0.000 0.980 776 R CB -0.280 29.974 30.300 -0.076 0.000 0.875 776 R HN 0.358 nan 8.270 nan 0.000 0.445 777 L N 1.036 122.216 121.223 -0.073 0.000 1.994 777 L HA -0.207 4.131 4.340 -0.004 0.000 0.208 777 L C 2.187 178.997 176.870 -0.099 0.000 1.071 777 L CA 1.422 56.225 54.840 -0.062 0.000 0.745 777 L CB -0.244 41.802 42.059 -0.023 0.000 0.892 777 L HN 0.199 nan 8.230 nan 0.000 0.431 778 L N -0.804 120.346 121.223 -0.122 0.000 1.989 778 L HA -0.191 4.147 4.340 -0.004 0.000 0.211 778 L C 2.672 179.411 176.870 -0.218 0.000 1.071 778 L CA 1.547 56.291 54.840 -0.160 0.000 0.749 778 L CB -1.662 40.264 42.059 -0.220 0.000 0.890 778 L HN 0.389 nan 8.230 nan 0.000 0.431 779 G N -0.167 108.477 108.800 -0.259 0.000 2.476 779 G HA2 -0.297 3.661 3.960 -0.004 0.000 0.218 779 G HA3 -0.297 3.661 3.960 -0.004 0.000 0.218 779 G C 1.783 176.553 174.900 -0.216 0.000 1.164 779 G CA 1.120 46.057 45.100 -0.271 0.000 0.768 779 G HN 0.494 nan 8.290 nan 0.000 0.560 780 A N 1.076 123.787 122.820 -0.181 0.000 1.865 780 A HA -0.053 4.265 4.320 -0.004 0.000 0.217 780 A C 2.427 179.868 177.584 -0.239 0.000 1.191 780 A CA 1.605 53.531 52.037 -0.185 0.000 0.623 780 A CB -0.466 18.445 19.000 -0.149 0.000 0.826 780 A HN 0.403 nan 8.150 nan 0.000 0.444 781 I N -0.378 120.068 120.570 -0.206 0.000 2.151 781 I HA -0.314 3.853 4.170 -0.004 0.000 0.243 781 I C 2.610 178.591 176.117 -0.227 0.000 1.080 781 I CA 1.920 63.089 61.300 -0.219 0.000 1.339 781 I CB -0.571 37.400 38.000 -0.049 0.000 1.039 781 I HN 0.360 nan 8.210 nan 0.000 0.409 782 K N 1.613 121.904 120.400 -0.181 0.000 1.991 782 K HA -0.215 4.103 4.320 -0.004 0.000 0.212 782 K C 2.089 178.468 176.600 -0.368 0.000 1.049 782 K CA 2.818 58.980 56.287 -0.209 0.000 0.932 782 K CB -0.714 31.681 32.500 -0.175 0.000 0.717 782 K HN 0.435 nan 8.250 nan 0.000 0.441 783 T N 0.897 115.260 114.554 -0.319 0.000 2.803 783 T HA -0.146 4.201 4.350 -0.004 0.000 0.269 783 T C 1.980 176.486 174.700 -0.324 0.000 1.052 783 T CA 0.956 62.870 62.100 -0.311 0.000 1.136 783 T CB -0.163 68.570 68.868 -0.226 0.000 0.864 783 T HN 0.182 nan 8.240 nan 0.000 0.467 784 Q N 1.599 121.173 119.800 -0.377 0.000 2.002 784 Q HA -0.059 4.279 4.340 -0.004 0.000 0.204 784 Q C 2.395 178.193 176.000 -0.336 0.000 0.988 784 Q CA 1.714 57.237 55.803 -0.465 0.000 0.843 784 Q CB -0.333 27.832 28.738 -0.954 0.000 0.908 784 Q HN 0.603 nan 8.270 nan 0.000 0.420 785 K N 0.547 120.814 120.400 -0.222 0.000 2.009 785 K HA -0.187 4.130 4.320 -0.004 0.000 0.210 785 K C 2.164 178.682 176.600 -0.138 0.000 1.049 785 K CA 1.515 57.821 56.287 0.031 0.000 0.929 785 K CB -0.215 32.444 32.500 0.266 0.000 0.714 785 K HN 0.074 nan 8.250 nan 0.000 0.440 786 K N 1.449 121.586 120.400 -0.439 0.000 2.020 786 K HA -0.251 4.067 4.320 -0.004 0.000 0.212 786 K C 1.872 178.367 176.600 -0.175 0.000 1.050 786 K CA 1.992 58.038 56.287 -0.402 0.000 0.929 786 K CB 0.011 32.174 32.500 -0.563 0.000 0.714 786 K HN 0.183 nan 8.250 nan 0.000 0.443 787 E N -0.181 119.891 120.200 -0.213 0.000 2.106 787 E HA -0.144 4.203 4.350 -0.004 0.000 0.192 787 E C 1.893 178.377 176.600 -0.192 0.000 0.984 787 E CA 0.918 57.217 56.400 -0.167 0.000 0.806 787 E CB 0.058 29.658 29.700 -0.167 0.000 0.750 787 E HN 0.270 nan 8.360 nan 0.000 0.458 788 R N -0.379 119.931 120.500 -0.316 0.000 2.319 788 R HA 0.052 4.390 4.340 -0.004 0.000 0.204 788 R C 1.002 177.001 176.300 -0.502 0.000 0.954 788 R CA 0.467 56.247 56.100 -0.534 0.000 1.066 788 R CB 0.347 30.051 30.300 -0.993 0.000 0.991 788 R HN 0.257 nan 8.270 nan 0.000 0.486 789 G N 0.498 109.183 108.800 -0.192 0.000 2.168 789 G HA2 -0.290 3.667 3.960 -0.004 0.000 0.263 789 G HA3 -0.290 3.667 3.960 -0.004 0.000 0.263 789 G C -0.305 174.712 174.900 0.196 0.000 0.977 789 G CA -0.086 45.021 45.100 0.013 0.000 0.659 789 G HN 0.296 nan 8.290 nan 0.000 0.533 790 Y N 0.845 121.243 120.300 0.164 0.000 2.517 790 Y HA 0.445 4.993 4.550 -0.004 0.000 0.341 790 Y C 1.437 177.477 175.900 0.233 0.000 1.247 790 Y CA -0.338 57.872 58.100 0.184 0.000 1.774 790 Y CB 0.193 38.782 38.460 0.216 0.000 1.641 790 Y HN 0.369 nan 8.280 nan 0.000 0.457 791 E N 0.832 121.210 120.200 0.296 0.000 2.251 791 E HA -0.040 4.307 4.350 -0.004 0.000 0.194 791 E C 1.521 178.148 176.600 0.045 0.000 0.964 791 E CA 0.869 57.361 56.400 0.154 0.000 0.868 791 E CB 0.383 30.144 29.700 0.102 0.000 0.828 791 E HN 0.476 nan 8.360 nan 0.000 0.481 792 T N -2.028 112.571 114.554 0.076 0.000 3.214 792 T HA 0.318 4.666 4.350 -0.004 0.000 0.264 792 T C 0.681 175.401 174.700 0.035 0.000 1.012 792 T CA -0.515 61.606 62.100 0.035 0.000 0.901 792 T CB 0.059 68.947 68.868 0.033 0.000 1.070 792 T HN -0.139 nan 8.240 nan 0.000 0.561 793 R N 1.678 122.214 120.500 0.061 0.000 2.674 793 R HA 0.309 4.646 4.340 -0.004 0.000 0.270 793 R C -3.092 173.255 176.300 0.079 0.000 1.492 793 R CA -1.612 54.513 56.100 0.043 0.000 1.624 793 R CB 0.751 31.055 30.300 0.006 0.000 1.307 793 R HN 0.244 nan 8.270 nan 0.000 0.683 794 P HA -0.052 nan 4.420 nan 0.000 0.266 794 P C -0.927 176.426 177.300 0.087 0.000 1.193 794 P CA 0.320 63.492 63.100 0.121 0.000 0.770 794 P CB 0.767 32.539 31.700 0.121 0.000 0.836 795 A N 2.654 125.554 122.820 0.132 0.000 2.260 795 A HA 0.260 4.578 4.320 -0.004 0.000 0.314 795 A C -0.068 177.555 177.584 0.065 0.000 1.257 795 A CA -0.519 51.561 52.037 0.073 0.000 0.871 795 A CB 0.209 19.288 19.000 0.132 0.000 1.166 795 A HN 0.528 nan 8.150 nan 0.000 0.522 796 Q N 2.373 122.145 119.800 -0.047 0.000 2.307 796 Q HA 0.384 4.721 4.340 -0.004 0.000 0.259 796 Q C -1.125 174.914 176.000 0.066 0.000 0.998 796 Q CA -0.080 55.717 55.803 -0.010 0.000 0.923 796 Q CB 0.685 29.358 28.738 -0.108 0.000 1.196 796 Q HN 0.533 nan 8.270 nan 0.000 0.416 797 V N 6.345 126.312 119.914 0.088 0.000 2.350 797 V HA 0.188 4.306 4.120 -0.004 0.000 0.276 797 V C 0.224 176.359 176.094 0.068 0.000 1.028 797 V CA -0.585 61.766 62.300 0.086 0.000 0.860 797 V CB 1.201 33.071 31.823 0.079 0.000 0.990 797 V HN 0.688 nan 8.190 nan 0.000 0.453 798 I N 5.864 126.495 120.570 0.102 0.000 2.227 798 I HA 0.148 4.315 4.170 -0.004 0.000 0.297 798 I C 0.298 176.476 176.117 0.102 0.000 1.173 798 I CA -0.280 61.087 61.300 0.111 0.000 1.356 798 I CB 0.166 38.271 38.000 0.176 0.000 1.485 798 I HN 0.375 nan 8.210 nan 0.000 0.604 799 L N 7.613 128.819 121.223 -0.028 0.000 2.654 799 L HA 0.055 4.393 4.340 -0.004 0.000 0.271 799 L C -1.862 174.900 176.870 -0.179 0.000 1.169 799 L CA -0.665 54.100 54.840 -0.124 0.000 0.947 799 L CB -0.132 41.782 42.059 -0.242 0.000 1.232 799 L HN 0.183 nan 8.230 nan 0.000 0.486 800 P HA 0.224 nan 4.420 nan 0.000 0.260 800 P C -0.191 176.939 177.300 -0.283 0.000 1.651 800 P CA -0.115 62.752 63.100 -0.389 0.000 1.139 800 P CB 0.252 31.494 31.700 -0.764 0.000 1.756 801 L N 0.493 121.572 121.223 -0.241 0.000 2.488 801 L HA 0.615 4.952 4.340 -0.004 0.000 0.249 801 L C 0.928 177.722 176.870 -0.126 0.000 1.151 801 L CA -0.518 54.210 54.840 -0.186 0.000 0.806 801 L CB 0.404 42.335 42.059 -0.213 0.000 1.261 801 L HN 0.174 nan 8.230 nan 0.000 0.484 802 S N -1.605 114.066 115.700 -0.048 0.000 2.595 802 S HA 0.509 4.977 4.470 -0.004 0.000 0.281 802 S C -2.216 172.289 174.600 -0.159 0.000 1.117 802 S CA -1.222 56.949 58.200 -0.049 0.000 0.873 802 S CB 1.911 65.110 63.200 -0.001 0.000 1.108 802 S HN 0.288 nan 8.310 nan 0.000 0.477 803 P HA 0.067 nan 4.420 nan 0.000 0.221 803 P C -0.200 176.982 177.300 -0.196 0.000 1.155 803 P CA 0.474 63.486 63.100 -0.146 0.000 0.812 803 P CB -0.051 31.670 31.700 0.034 0.000 0.801 804 N N 0.670 119.346 118.700 -0.039 0.000 2.402 804 N HA -0.042 4.696 4.740 -0.004 0.000 0.259 804 N C -0.694 174.874 175.510 0.096 0.000 1.167 804 N CA 0.241 53.356 53.050 0.108 0.000 0.949 804 N CB -0.896 37.738 38.487 0.246 0.000 1.212 804 N HN 0.226 nan 8.380 nan 0.000 0.493 805 H N 2.424 121.563 119.070 0.116 0.000 2.421 805 H HA 0.321 4.874 4.556 -0.004 0.000 0.241 805 H C 0.860 176.235 175.328 0.078 0.000 1.428 805 H CA -0.269 55.823 56.048 0.072 0.000 1.136 805 H CB 0.367 30.166 29.762 0.062 0.000 1.612 805 H HN 0.826 nan 8.280 nan 0.000 0.537 806 G N 0.919 109.844 108.800 0.209 0.000 2.159 806 G HA2 -0.386 3.571 3.960 -0.004 0.000 0.227 806 G HA3 -0.386 3.571 3.960 -0.004 0.000 0.227 806 G C 1.387 176.363 174.900 0.128 0.000 0.986 806 G CA 0.591 45.782 45.100 0.152 0.000 0.651 806 G HN 0.565 nan 8.290 nan 0.000 0.523 807 T N -2.210 112.430 114.554 0.142 0.000 2.942 807 T HA 0.366 4.714 4.350 -0.004 0.000 0.265 807 T C 1.129 175.814 174.700 -0.025 0.000 1.062 807 T CA 0.783 62.913 62.100 0.050 0.000 1.139 807 T CB -0.013 68.873 68.868 0.031 0.000 0.883 807 T HN 0.275 nan 8.240 nan 0.000 0.468 808 F N 1.204 121.169 119.950 0.026 0.000 2.380 808 F HA 0.637 5.162 4.527 -0.004 0.000 0.321 808 F C 1.840 177.645 175.800 0.008 0.000 1.103 808 F CA -0.281 57.722 58.000 0.004 0.000 1.067 808 F CB 0.716 39.705 39.000 -0.018 0.000 1.265 808 F HN 0.161 nan 8.300 nan 0.000 0.517 809 G N 0.687 109.611 108.800 0.206 0.000 2.645 809 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.179 809 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.179 809 G C 0.437 175.394 174.900 0.095 0.000 1.515 809 G CA 0.137 45.304 45.100 0.112 0.000 0.852 809 G HN 0.587 nan 8.290 nan 0.000 0.481 810 N N 1.718 120.456 118.700 0.063 0.000 2.906 810 N HA 0.098 4.836 4.740 -0.004 0.000 0.282 810 N C 0.695 176.219 175.510 0.024 0.000 1.293 810 N CA 0.012 53.084 53.050 0.036 0.000 1.059 810 N CB 0.417 38.914 38.487 0.017 0.000 1.388 810 N HN 0.287 nan 8.380 nan 0.000 0.533 811 D N 0.894 121.326 120.400 0.054 0.000 2.133 811 D HA -0.119 4.518 4.640 -0.004 0.000 0.195 811 D C 1.046 177.389 176.300 0.072 0.000 0.997 811 D CA 1.147 55.188 54.000 0.068 0.000 0.840 811 D CB -0.251 40.663 40.800 0.190 0.000 0.947 811 D HN 0.431 nan 8.370 nan 0.000 0.452 812 G N 1.892 110.727 108.800 0.059 0.000 2.331 812 G HA2 -0.226 3.731 3.960 -0.004 0.000 0.254 812 G HA3 -0.226 3.731 3.960 -0.004 0.000 0.254 812 G C 0.574 175.502 174.900 0.047 0.000 0.879 812 G CA 0.177 45.301 45.100 0.040 0.000 1.287 812 G HN 0.349 nan 8.290 nan 0.000 0.383 813 L N -1.060 120.168 121.223 0.009 0.000 4.937 813 L HA -0.277 4.060 4.340 -0.004 0.000 0.422 813 L C 1.737 178.595 176.870 -0.020 0.000 1.059 813 L CA 2.584 57.382 54.840 -0.071 0.000 1.111 813 L CB -2.018 39.996 42.059 -0.076 0.000 2.033 813 L HN 0.918 nan 8.230 nan 0.000 0.708 814 Y N 1.342 121.613 120.300 -0.049 0.000 2.138 814 Y HA -0.181 4.367 4.550 -0.004 0.000 0.286 814 Y C 2.459 178.350 175.900 -0.015 0.000 1.115 814 Y CA 2.439 60.524 58.100 -0.026 0.000 1.105 814 Y CB -0.371 38.072 38.460 -0.028 0.000 1.004 814 Y HN 0.338 nan 8.280 nan 0.000 0.494 815 S N 0.369 116.056 115.700 -0.022 0.000 2.372 815 S HA -0.290 4.178 4.470 -0.004 0.000 0.227 815 S C 1.693 176.208 174.600 -0.141 0.000 1.044 815 S CA 1.720 59.879 58.200 -0.068 0.000 1.050 815 S CB -0.733 62.526 63.200 0.099 0.000 0.901 815 S HN 0.509 nan 8.310 nan 0.000 0.447 816 E N 1.872 121.990 120.200 -0.137 0.000 2.085 816 E HA -0.084 4.263 4.350 -0.004 0.000 0.194 816 E C 2.450 178.953 176.600 -0.161 0.000 0.994 816 E CA 1.559 57.854 56.400 -0.176 0.000 0.801 816 E CB -0.553 28.986 29.700 -0.269 0.000 0.743 816 E HN 0.657 nan 8.360 nan 0.000 0.453 817 S N 0.542 116.146 115.700 -0.160 0.000 2.345 817 S HA -0.090 4.378 4.470 -0.004 0.000 0.220 817 S C 1.723 176.248 174.600 -0.125 0.000 1.031 817 S CA 0.870 59.075 58.200 0.007 0.000 0.996 817 S CB -0.152 63.102 63.200 0.089 0.000 0.882 817 S HN 0.058 nan 8.310 nan 0.000 0.445 818 K N 1.193 121.427 120.400 -0.278 0.000 2.147 818 K HA 0.103 4.421 4.320 -0.004 0.000 0.205 818 K C 2.026 178.518 176.600 -0.179 0.000 1.049 818 K CA 0.637 56.763 56.287 -0.269 0.000 0.936 818 K CB -0.758 31.500 32.500 -0.403 0.000 0.722 818 K HN 0.303 nan 8.250 nan 0.000 0.446 819 L N 0.612 121.687 121.223 -0.246 0.000 2.068 819 L HA -0.014 4.324 4.340 -0.004 0.000 0.204 819 L C 2.150 178.900 176.870 -0.200 0.000 1.076 819 L CA 1.637 56.233 54.840 -0.406 0.000 0.753 819 L CB -0.618 41.162 42.059 -0.465 0.000 0.910 819 L HN 0.112 nan 8.230 nan 0.000 0.439 820 A N -0.351 122.397 122.820 -0.119 0.000 1.986 820 A HA -0.225 4.093 4.320 -0.004 0.000 0.220 820 A C 2.250 179.800 177.584 -0.057 0.000 1.171 820 A CA 2.031 54.040 52.037 -0.047 0.000 0.640 820 A CB -1.064 17.945 19.000 0.015 0.000 0.811 820 A HN 0.515 nan 8.150 nan 0.000 0.451 821 L N -0.570 120.592 121.223 -0.101 0.000 2.127 821 L HA -0.229 4.109 4.340 -0.004 0.000 0.211 821 L C 2.324 179.084 176.870 -0.185 0.000 1.089 821 L CA 1.574 56.331 54.840 -0.137 0.000 0.757 821 L CB -0.518 41.435 42.059 -0.176 0.000 0.899 821 L HN 0.506 nan 8.230 nan 0.000 0.434 822 E N -0.768 119.334 120.200 -0.163 0.000 2.418 822 E HA -0.143 4.205 4.350 -0.004 0.000 0.197 822 E C 1.904 178.535 176.600 0.051 0.000 1.026 822 E CA 1.270 57.574 56.400 -0.161 0.000 0.862 822 E CB -0.061 29.670 29.700 0.052 0.000 0.799 822 E HN 0.595 nan 8.360 nan 0.000 0.518 823 T N -1.034 113.558 114.554 0.063 0.000 3.098 823 T HA -0.033 4.314 4.350 -0.004 0.000 0.266 823 T C 1.804 176.615 174.700 0.185 0.000 1.145 823 T CA 0.355 62.544 62.100 0.149 0.000 1.092 823 T CB -0.121 68.813 68.868 0.110 0.000 0.908 823 T HN 0.097 nan 8.240 nan 0.000 0.526 824 L N -0.870 120.411 121.223 0.097 0.000 2.156 824 L HA 0.194 4.532 4.340 -0.004 0.000 0.208 824 L C 2.318 179.352 176.870 0.274 0.000 1.095 824 L CA 0.892 55.849 54.840 0.194 0.000 0.770 824 L CB -0.508 41.584 42.059 0.055 0.000 0.914 824 L HN 0.232 nan 8.230 nan 0.000 0.439 825 F N 0.506 120.590 119.950 0.223 0.000 2.147 825 F HA -0.318 4.206 4.527 -0.004 0.000 0.301 825 F C 2.025 177.984 175.800 0.266 0.000 1.084 825 F CA 1.400 59.550 58.000 0.249 0.000 1.268 825 F CB -0.179 39.070 39.000 0.416 0.000 1.009 825 F HN 0.276 nan 8.300 nan 0.000 0.486 826 N N -0.729 118.260 118.700 0.483 0.000 2.439 826 N HA 0.034 4.771 4.740 -0.004 0.000 0.176 826 N C 1.473 177.170 175.510 0.311 0.000 1.029 826 N CA 0.279 53.587 53.050 0.431 0.000 0.886 826 N CB -0.176 38.518 38.487 0.344 0.000 1.057 826 N HN 0.011 nan 8.380 nan 0.000 0.437 827 R N -0.553 120.119 120.500 0.286 0.000 2.159 827 R HA -0.133 4.205 4.340 -0.004 0.000 0.237 827 R C 1.484 177.708 176.300 -0.128 0.000 1.131 827 R CA 1.043 57.296 56.100 0.255 0.000 0.982 827 R CB -0.288 30.334 30.300 0.535 0.000 0.868 827 R HN 0.383 nan 8.270 nan 0.000 0.453 828 W N 0.335 121.381 121.300 -0.424 0.000 2.350 828 W HA -0.226 4.432 4.660 -0.004 0.000 0.289 828 W C 1.162 177.248 176.519 -0.721 0.000 1.215 828 W CA 1.465 58.232 57.345 -0.962 0.000 1.236 828 W CB -0.121 28.963 29.460 -0.626 0.000 1.130 828 W HN 0.085 nan 8.180 nan 0.000 0.541 829 Y N -0.421 119.878 120.300 -0.002 0.000 2.230 829 Y HA -0.183 4.365 4.550 -0.004 0.000 0.294 829 Y C 3.005 178.806 175.900 -0.165 0.000 1.120 829 Y CA 1.390 59.474 58.100 -0.028 0.000 1.129 829 Y CB -0.940 37.594 38.460 0.123 0.000 1.040 829 Y HN -0.120 nan 8.280 nan 0.000 0.519 830 S N 0.054 115.796 115.700 0.070 0.000 2.348 830 S HA -0.127 4.340 4.470 -0.004 0.000 0.221 830 S C 0.692 175.252 174.600 -0.066 0.000 1.033 830 S CA 0.648 58.861 58.200 0.022 0.000 1.010 830 S CB -0.630 62.615 63.200 0.075 0.000 0.891 830 S HN 0.340 nan 8.310 nan 0.000 0.442 831 E N 1.348 121.469 120.200 -0.132 0.000 2.351 831 E HA 0.338 4.686 4.350 -0.004 0.000 0.255 831 E C 0.104 176.507 176.600 -0.329 0.000 1.188 831 E CA 0.124 56.460 56.400 -0.106 0.000 0.940 831 E CB 0.620 30.454 29.700 0.223 0.000 1.094 831 E HN 0.505 nan 8.360 nan 0.000 0.474 832 S N 1.011 116.660 115.700 -0.086 0.000 2.596 832 S HA 0.091 4.559 4.470 -0.004 0.000 0.248 832 S C 0.026 174.670 174.600 0.073 0.000 1.162 832 S CA -0.816 57.344 58.200 -0.067 0.000 1.185 832 S CB -0.356 62.869 63.200 0.042 0.000 0.833 832 S HN 0.652 nan 8.310 nan 0.000 0.472 833 W N -0.859 120.399 121.300 -0.069 0.000 2.684 833 W HA 0.488 5.146 4.660 -0.004 0.000 0.381 833 W C 0.842 177.256 176.519 -0.174 0.000 0.975 833 W CA -0.488 56.895 57.345 0.062 0.000 1.789 833 W CB -0.905 28.590 29.460 0.058 0.000 1.161 833 W HN 0.329 nan 8.180 nan 0.000 0.564 834 G N 3.743 112.095 108.800 -0.748 0.000 2.505 834 G HA2 -0.399 3.559 3.960 -0.004 0.000 0.220 834 G HA3 -0.399 3.559 3.960 -0.004 0.000 0.220 834 G C 1.144 175.734 174.900 -0.516 0.000 1.145 834 G CA 1.711 46.026 45.100 -1.307 0.000 0.761 834 G HN 0.300 nan 8.290 nan 0.000 0.571 835 N N -1.005 117.463 118.700 -0.387 0.000 2.279 835 N HA 0.195 4.933 4.740 -0.004 0.000 0.226 835 N C 0.437 175.725 175.510 -0.371 0.000 1.126 835 N CA -0.181 52.687 53.050 -0.302 0.000 0.846 835 N CB -0.014 38.259 38.487 -0.356 0.000 1.050 835 N HN 0.421 nan 8.380 nan 0.000 0.502 836 Y N -0.442 119.933 120.300 0.125 0.000 2.638 836 Y HA 0.432 4.980 4.550 -0.004 0.000 0.275 836 Y C 0.069 176.094 175.900 0.209 0.000 1.122 836 Y CA -0.310 57.887 58.100 0.162 0.000 1.266 836 Y CB 0.675 39.226 38.460 0.152 0.000 1.317 836 Y HN -0.054 nan 8.280 nan 0.000 0.501 837 L N 0.435 121.937 121.223 0.465 0.000 2.386 837 L HA 0.519 4.856 4.340 -0.004 0.000 0.271 837 L C -0.015 177.229 176.870 0.623 0.000 0.993 837 L CA -0.852 54.267 54.840 0.466 0.000 0.819 837 L CB 1.737 44.092 42.059 0.493 0.000 1.294 837 L HN 0.096 nan 8.230 nan 0.000 0.414 838 T N 0.759 115.591 114.554 0.463 0.000 2.885 838 T HA 0.802 5.149 4.350 -0.004 0.000 0.285 838 T C -0.271 174.549 174.700 0.200 0.000 1.019 838 T CA -0.589 61.763 62.100 0.421 0.000 1.010 838 T CB 1.178 70.158 68.868 0.187 0.000 1.022 838 T HN 0.324 nan 8.240 nan 0.000 0.466 839 I N 2.104 122.662 120.570 -0.020 0.000 2.362 839 I HA 0.398 4.566 4.170 -0.004 0.000 0.289 839 I C -0.123 175.960 176.117 -0.057 0.000 0.994 839 I CA -0.884 60.418 61.300 0.004 0.000 1.158 839 I CB 1.521 39.553 38.000 0.055 0.000 1.315 839 I HN 0.830 nan 8.210 nan 0.000 0.451 840 C N 5.866 125.145 119.300 -0.034 0.000 2.362 840 C HA 0.598 5.056 4.460 -0.004 0.000 0.309 840 C C 0.930 175.868 174.990 -0.087 0.000 1.110 840 C CA -0.498 58.499 59.018 -0.035 0.000 1.485 840 C CB -0.618 27.108 27.740 -0.024 0.000 1.949 840 C HN 0.963 nan 8.230 nan 0.000 0.419 841 G N 5.203 113.951 108.800 -0.086 0.000 2.716 841 G HA2 0.473 4.431 3.960 -0.004 0.000 0.296 841 G HA3 0.473 4.431 3.960 -0.004 0.000 0.296 841 G C 0.517 175.237 174.900 -0.301 0.000 0.811 841 G CA 0.226 45.165 45.100 -0.269 0.000 1.758 841 G HN 1.396 nan 8.290 nan 0.000 0.512 842 A N 2.668 125.359 122.820 -0.216 0.000 2.395 842 A HA 0.417 4.735 4.320 -0.004 0.000 0.286 842 A C 0.507 177.962 177.584 -0.215 0.000 1.193 842 A CA -0.376 51.551 52.037 -0.183 0.000 0.852 842 A CB 0.788 19.741 19.000 -0.078 0.000 1.118 842 A HN 1.304 nan 8.150 nan 0.000 0.524 843 V N 6.105 125.881 119.914 -0.229 0.000 2.299 843 V HA 0.376 4.494 4.120 -0.004 0.000 0.255 843 V C -0.181 175.854 176.094 -0.098 0.000 1.100 843 V CA -0.596 61.604 62.300 -0.167 0.000 0.938 843 V CB -0.745 30.993 31.823 -0.142 0.000 1.139 843 V HN 0.582 nan 8.190 nan 0.000 0.490 844 I N 6.615 127.124 120.570 -0.101 0.000 2.710 844 I HA 0.452 4.620 4.170 -0.004 0.000 0.286 844 I C 1.242 177.340 176.117 -0.031 0.000 1.181 844 I CA 1.347 62.600 61.300 -0.080 0.000 1.430 844 I CB 0.610 38.564 38.000 -0.076 0.000 1.367 844 I HN 0.670 nan 8.210 nan 0.000 0.577 845 G N 4.631 113.412 108.800 -0.032 0.000 2.509 845 G HA2 0.236 4.194 3.960 -0.004 0.000 0.328 845 G HA3 0.236 4.194 3.960 -0.004 0.000 0.328 845 G C -1.141 173.909 174.900 0.251 0.000 1.194 845 G CA -0.661 44.514 45.100 0.125 0.000 0.967 845 G HN 0.656 nan 8.290 nan 0.000 0.488 846 W N 1.866 123.262 121.300 0.161 0.000 2.550 846 W HA -0.025 4.633 4.660 -0.004 0.000 0.361 846 W C -0.450 176.203 176.519 0.223 0.000 1.014 846 W CA 0.278 57.723 57.345 0.168 0.000 1.069 846 W CB -0.879 28.697 29.460 0.193 0.000 1.115 846 W HN 0.186 nan 8.180 nan 0.000 0.586 847 T N 7.775 122.641 114.554 0.520 0.000 2.947 847 T HA 0.178 4.526 4.350 -0.004 0.000 0.337 847 T C 1.452 176.399 174.700 0.412 0.000 1.139 847 T CA -0.642 61.710 62.100 0.420 0.000 0.992 847 T CB 0.527 69.544 68.868 0.248 0.000 1.043 847 T HN 0.452 nan 8.240 nan 0.000 0.498 848 R N 1.972 122.733 120.500 0.434 0.000 2.193 848 R HA 0.039 4.377 4.340 -0.004 0.000 0.229 848 R C 1.266 177.712 176.300 0.244 0.000 1.110 848 R CA 0.212 56.529 56.100 0.362 0.000 0.988 848 R CB -0.629 29.822 30.300 0.251 0.000 0.871 848 R HN 0.508 nan 8.270 nan 0.000 0.458 849 G N 1.754 110.684 108.800 0.217 0.000 2.257 849 G HA2 -0.123 3.834 3.960 -0.004 0.000 0.235 849 G HA3 -0.123 3.834 3.960 -0.004 0.000 0.235 849 G C -0.091 174.890 174.900 0.136 0.000 1.225 849 G CA 0.391 45.592 45.100 0.168 0.000 0.878 849 G HN 0.315 nan 8.290 nan 0.000 0.505 850 T N 1.578 116.201 114.554 0.115 0.000 2.642 850 T HA 0.414 4.762 4.350 -0.004 0.000 0.258 850 T C 1.145 175.879 174.700 0.057 0.000 1.022 850 T CA 1.040 63.187 62.100 0.079 0.000 1.266 850 T CB -0.535 68.374 68.868 0.069 0.000 0.987 850 T HN 1.189 nan 8.240 nan 0.000 0.518 851 G N 3.221 112.046 108.800 0.041 0.000 3.159 851 G HA2 0.351 4.309 3.960 -0.004 0.000 0.150 851 G HA3 0.351 4.309 3.960 -0.004 0.000 0.150 851 G C 0.234 175.125 174.900 -0.014 0.000 1.193 851 G CA -0.373 44.741 45.100 0.024 0.000 1.177 851 G HN 0.615 nan 8.290 nan 0.000 0.635 852 L N 0.230 121.431 121.223 -0.037 0.000 2.612 852 L HA 0.565 4.903 4.340 -0.004 0.000 0.230 852 L C 1.039 177.818 176.870 -0.151 0.000 1.140 852 L CA 0.312 55.093 54.840 -0.097 0.000 0.896 852 L CB -0.076 41.912 42.059 -0.119 0.000 1.065 852 L HN 0.314 nan 8.230 nan 0.000 0.447 853 M N -1.559 117.973 119.600 -0.113 0.000 3.189 853 M HA 0.128 4.606 4.480 -0.004 0.000 0.365 853 M C 0.939 177.202 176.300 -0.062 0.000 1.447 853 M CA -0.103 55.100 55.300 -0.161 0.000 0.739 853 M CB 1.089 33.538 32.600 -0.253 0.000 1.411 853 M HN -0.042 nan 8.290 nan 0.000 0.494 854 S N 0.520 116.190 115.700 -0.051 0.000 2.345 854 S HA -0.001 4.467 4.470 -0.004 0.000 0.219 854 S C 1.838 176.413 174.600 -0.042 0.000 1.031 854 S CA 1.631 59.819 58.200 -0.021 0.000 0.984 854 S CB 0.144 63.334 63.200 -0.016 0.000 0.874 854 S HN 0.699 nan 8.310 nan 0.000 0.451 855 A N 1.549 124.337 122.820 -0.053 0.000 2.209 855 A HA 0.049 4.366 4.320 -0.004 0.000 0.212 855 A C 1.279 178.839 177.584 -0.040 0.000 1.158 855 A CA 0.738 52.745 52.037 -0.049 0.000 0.742 855 A CB -0.360 18.616 19.000 -0.041 0.000 0.790 855 A HN 0.384 nan 8.150 nan 0.000 0.472 856 N N 0.822 119.503 118.700 -0.032 0.000 2.421 856 N HA -0.009 4.729 4.740 -0.004 0.000 0.201 856 N C 0.487 176.130 175.510 0.222 0.000 1.198 856 N CA 0.221 53.304 53.050 0.056 0.000 0.838 856 N CB -0.060 38.341 38.487 -0.143 0.000 1.011 856 N HN 0.418 nan 8.380 nan 0.000 0.463 857 N N -0.121 118.554 118.700 -0.041 0.000 2.409 857 N HA 0.144 4.881 4.740 -0.004 0.000 0.174 857 N C 1.632 176.882 175.510 -0.434 0.000 1.037 857 N CA 0.129 52.970 53.050 -0.349 0.000 0.898 857 N CB 0.142 38.128 38.487 -0.834 0.000 1.010 857 N HN 0.219 nan 8.380 nan 0.000 0.445 858 L N 0.113 121.203 121.223 -0.222 0.000 2.046 858 L HA -0.069 4.269 4.340 -0.004 0.000 0.208 858 L C 1.399 178.273 176.870 0.007 0.000 1.077 858 L CA 0.931 55.719 54.840 -0.088 0.000 0.747 858 L CB -0.247 41.798 42.059 -0.023 0.000 0.896 858 L HN -0.027 nan 8.230 nan 0.000 0.432 859 V N -0.624 119.334 119.914 0.074 0.000 3.649 859 V HA 0.112 4.229 4.120 -0.004 0.000 0.275 859 V C 2.262 178.427 176.094 0.118 0.000 1.281 859 V CA 0.717 63.100 62.300 0.138 0.000 1.143 859 V CB -0.227 31.727 31.823 0.219 0.000 0.892 859 V HN 0.343 nan 8.190 nan 0.000 0.441 860 A N 1.973 124.817 122.820 0.039 0.000 1.851 860 A HA -0.267 4.050 4.320 -0.004 0.000 0.216 860 A C 2.251 179.691 177.584 -0.240 0.000 1.195 860 A CA 2.171 54.079 52.037 -0.216 0.000 0.622 860 A CB -0.377 18.544 19.000 -0.132 0.000 0.831 860 A HN 0.744 nan 8.150 nan 0.000 0.444 861 E N -0.610 119.551 120.200 -0.066 0.000 2.152 861 E HA 0.044 4.391 4.350 -0.004 0.000 0.192 861 E C 1.935 178.504 176.600 -0.053 0.000 0.983 861 E CA 1.011 57.377 56.400 -0.057 0.000 0.818 861 E CB -0.757 28.950 29.700 0.011 0.000 0.758 861 E HN 0.393 nan 8.360 nan 0.000 0.467 862 G N 1.640 110.431 108.800 -0.015 0.000 2.480 862 G HA2 -0.283 3.675 3.960 -0.004 0.000 0.216 862 G HA3 -0.283 3.675 3.960 -0.004 0.000 0.216 862 G C 1.735 176.637 174.900 0.004 0.000 1.200 862 G CA 1.376 46.482 45.100 0.010 0.000 0.782 862 G HN 0.228 nan 8.290 nan 0.000 0.554 863 V N 0.617 120.530 119.914 -0.002 0.000 2.469 863 V HA -0.155 3.962 4.120 -0.004 0.000 0.251 863 V C 2.533 178.599 176.094 -0.046 0.000 1.064 863 V CA 2.146 64.456 62.300 0.017 0.000 1.066 863 V CB -0.380 31.479 31.823 0.060 0.000 0.667 863 V HN 0.501 nan 8.190 nan 0.000 0.461 864 E N -0.225 119.895 120.200 -0.134 0.000 2.208 864 E HA -0.179 4.168 4.350 -0.004 0.000 0.193 864 E C 2.244 178.801 176.600 -0.071 0.000 0.988 864 E CA 0.518 56.832 56.400 -0.142 0.000 0.828 864 E CB 0.004 29.578 29.700 -0.210 0.000 0.763 864 E HN 0.530 nan 8.360 nan 0.000 0.478 865 K N 0.252 120.625 120.400 -0.044 0.000 2.113 865 K HA -0.131 4.186 4.320 -0.004 0.000 0.208 865 K C 1.462 178.063 176.600 0.002 0.000 1.047 865 K CA 0.886 57.163 56.287 -0.017 0.000 0.928 865 K CB -0.046 32.453 32.500 -0.003 0.000 0.716 865 K HN 0.219 nan 8.250 nan 0.000 0.446 866 L N 0.291 121.525 121.223 0.018 0.000 2.713 866 L HA 0.057 4.394 4.340 -0.004 0.000 0.245 866 L C 0.825 177.725 176.870 0.050 0.000 1.169 866 L CA 0.405 55.270 54.840 0.041 0.000 0.962 866 L CB -0.599 41.498 42.059 0.065 0.000 1.161 866 L HN 0.446 nan 8.230 nan 0.000 0.427 867 G N 0.116 108.937 108.800 0.036 0.000 2.132 867 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.228 867 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.228 867 G C -0.197 174.779 174.900 0.127 0.000 1.000 867 G CA 0.267 45.402 45.100 0.058 0.000 0.693 867 G HN 0.244 nan 8.290 nan 0.000 0.515 868 V N -0.849 119.114 119.914 0.082 0.000 3.155 868 V HA 0.983 5.100 4.120 -0.004 0.000 0.313 868 V C -0.124 175.896 176.094 -0.122 0.000 1.162 868 V CA -0.812 61.571 62.300 0.137 0.000 1.048 868 V CB 2.069 34.004 31.823 0.186 0.000 1.092 868 V HN 0.797 nan 8.190 nan 0.000 0.447 869 R N 1.155 121.506 120.500 -0.248 0.000 2.575 869 R HA 0.705 5.042 4.340 -0.004 0.000 0.293 869 R C -0.716 175.312 176.300 -0.453 0.000 0.983 869 R CA 0.308 56.103 56.100 -0.508 0.000 0.887 869 R CB 1.867 31.607 30.300 -0.935 0.000 1.184 869 R HN 0.990 nan 8.270 nan 0.000 0.445 870 T N 0.475 114.729 114.554 -0.501 0.000 2.952 870 T HA 0.664 5.011 4.350 -0.004 0.000 0.286 870 T C -0.592 173.859 174.700 -0.415 0.000 1.024 870 T CA -0.524 61.344 62.100 -0.388 0.000 1.029 870 T CB 0.757 69.225 68.868 -0.667 0.000 1.094 870 T HN 0.268 nan 8.240 nan 0.000 0.515 871 F N 0.931 120.884 119.950 0.005 0.000 2.538 871 F HA 0.629 5.154 4.527 -0.004 0.000 0.325 871 F C 1.034 176.873 175.800 0.065 0.000 1.066 871 F CA -0.933 57.102 58.000 0.057 0.000 0.946 871 F CB 2.053 41.138 39.000 0.141 0.000 1.199 871 F HN 0.895 nan 8.300 nan 0.000 0.473 872 S N 0.671 116.499 115.700 0.214 0.000 2.645 872 S HA 0.234 4.701 4.470 -0.004 0.000 0.266 872 S C 0.608 175.338 174.600 0.216 0.000 1.258 872 S CA -0.605 57.698 58.200 0.170 0.000 0.990 872 S CB 1.131 64.385 63.200 0.089 0.000 0.967 872 S HN 0.743 nan 8.310 nan 0.000 0.556 873 Q N 0.638 120.545 119.800 0.179 0.000 2.046 873 Q HA -0.168 4.169 4.340 -0.004 0.000 0.200 873 Q C 2.367 178.475 176.000 0.181 0.000 0.975 873 Q CA 1.408 57.314 55.803 0.172 0.000 0.836 873 Q CB -0.388 28.432 28.738 0.136 0.000 0.896 873 Q HN 0.890 nan 8.270 nan 0.000 0.428 874 Q N 1.465 121.368 119.800 0.172 0.000 2.135 874 Q HA -0.209 4.128 4.340 -0.004 0.000 0.204 874 Q C 1.381 177.577 176.000 0.326 0.000 0.981 874 Q CA 1.575 57.498 55.803 0.200 0.000 0.856 874 Q CB -0.296 28.543 28.738 0.167 0.000 0.902 874 Q HN 0.516 nan 8.270 nan 0.000 0.425 875 E N 0.267 120.651 120.200 0.306 0.000 2.017 875 E HA -0.091 4.256 4.350 -0.004 0.000 0.193 875 E C 2.184 179.052 176.600 0.447 0.000 0.997 875 E CA 1.202 57.792 56.400 0.317 0.000 0.804 875 E CB -0.066 29.660 29.700 0.044 0.000 0.757 875 E HN 0.226 nan 8.360 nan 0.000 0.448 876 M N 0.307 120.095 119.600 0.315 0.000 2.202 876 M HA -0.152 4.326 4.480 -0.004 0.000 0.262 876 M C 2.303 178.731 176.300 0.214 0.000 1.063 876 M CA 1.212 56.625 55.300 0.188 0.000 1.097 876 M CB -0.850 31.811 32.600 0.102 0.000 1.382 876 M HN 0.139 nan 8.290 nan 0.000 0.413 877 A N -0.515 122.445 122.820 0.233 0.000 1.898 877 A HA -0.182 4.135 4.320 -0.004 0.000 0.216 877 A C 2.015 179.747 177.584 0.248 0.000 1.181 877 A CA 1.098 53.230 52.037 0.158 0.000 0.620 877 A CB -0.982 18.074 19.000 0.094 0.000 0.819 877 A HN 0.417 nan 8.150 nan 0.000 0.442 878 F N 2.148 122.256 119.950 0.264 0.000 2.043 878 F HA -0.280 4.245 4.527 -0.004 0.000 0.297 878 F C 1.959 177.994 175.800 0.392 0.000 1.121 878 F CA 2.274 60.528 58.000 0.424 0.000 1.199 878 F CB -0.659 38.652 39.000 0.517 0.000 0.968 878 F HN 0.252 nan 8.300 nan 0.000 0.478 879 N N 0.809 119.677 118.700 0.280 0.000 2.094 879 N HA -0.218 4.520 4.740 -0.004 0.000 0.191 879 N C 2.072 177.669 175.510 0.146 0.000 1.023 879 N CA 1.944 55.100 53.050 0.176 0.000 0.857 879 N CB -0.836 37.800 38.487 0.248 0.000 1.013 879 N HN 0.385 nan 8.380 nan 0.000 0.426 880 L N 0.294 121.593 121.223 0.126 0.000 2.005 880 L HA -0.056 4.281 4.340 -0.004 0.000 0.207 880 L C 2.137 179.054 176.870 0.078 0.000 1.072 880 L CA 0.677 55.567 54.840 0.084 0.000 0.744 880 L CB -0.462 41.644 42.059 0.078 0.000 0.895 880 L HN 0.094 nan 8.230 nan 0.000 0.433 881 L N -0.254 121.019 121.223 0.083 0.000 2.263 881 L HA -0.184 4.154 4.340 -0.004 0.000 0.216 881 L C 2.538 179.559 176.870 0.252 0.000 1.111 881 L CA 1.131 56.061 54.840 0.150 0.000 0.773 881 L CB -1.005 41.158 42.059 0.173 0.000 0.906 881 L HN 0.337 nan 8.230 nan 0.000 0.439 882 G N 0.473 109.373 108.800 0.166 0.000 2.459 882 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.217 882 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.217 882 G C 1.423 176.489 174.900 0.276 0.000 1.183 882 G CA 0.737 45.970 45.100 0.223 0.000 0.776 882 G HN 0.382 nan 8.290 nan 0.000 0.552 883 L N 0.299 121.612 121.223 0.149 0.000 2.551 883 L HA 0.122 4.460 4.340 -0.004 0.000 0.228 883 L C 2.525 179.489 176.870 0.156 0.000 1.153 883 L CA 0.178 55.044 54.840 0.042 0.000 0.851 883 L CB -0.444 41.563 42.059 -0.087 0.000 0.959 883 L HN 0.187 nan 8.230 nan 0.000 0.451 884 M N 0.218 119.967 119.600 0.249 0.000 2.514 884 M HA 0.170 4.647 4.480 -0.004 0.000 0.258 884 M C 1.244 177.846 176.300 0.502 0.000 1.119 884 M CA 0.176 55.734 55.300 0.430 0.000 1.111 884 M CB -0.379 32.397 32.600 0.293 0.000 1.390 884 M HN 0.219 nan 8.290 nan 0.000 0.475 885 A N 1.755 124.772 122.820 0.330 0.000 2.445 885 A HA 0.233 4.550 4.320 -0.004 0.000 0.242 885 A C -1.456 176.234 177.584 0.177 0.000 1.075 885 A CA -0.992 51.176 52.037 0.218 0.000 0.777 885 A CB -0.298 18.793 19.000 0.151 0.000 1.013 885 A HN 0.104 nan 8.150 nan 0.000 0.493 886 P HA -0.211 nan 4.420 nan 0.000 0.216 886 P C 1.680 179.028 177.300 0.080 0.000 1.150 886 P CA 2.282 65.437 63.100 0.092 0.000 0.843 886 P CB 0.045 31.779 31.700 0.057 0.000 0.787 887 A N -0.135 122.735 122.820 0.085 0.000 1.852 887 A HA -0.254 4.063 4.320 -0.004 0.000 0.217 887 A C 2.263 179.900 177.584 0.088 0.000 1.215 887 A CA 2.157 54.245 52.037 0.085 0.000 0.641 887 A CB -1.713 17.348 19.000 0.102 0.000 0.838 887 A HN 0.120 nan 8.150 nan 0.000 0.450 888 I N -0.511 120.124 120.570 0.109 0.000 2.315 888 I HA -0.196 3.971 4.170 -0.004 0.000 0.248 888 I C 2.339 178.490 176.117 0.057 0.000 1.117 888 I CA 1.035 62.385 61.300 0.084 0.000 1.404 888 I CB -0.340 37.709 38.000 0.082 0.000 1.071 888 I HN 0.171 nan 8.210 nan 0.000 0.419 889 V N 1.313 121.269 119.914 0.070 0.000 2.453 889 V HA -0.328 3.790 4.120 -0.004 0.000 0.252 889 V C 2.065 178.173 176.094 0.022 0.000 1.068 889 V CA 1.984 64.308 62.300 0.040 0.000 1.070 889 V CB -0.845 31.001 31.823 0.038 0.000 0.664 889 V HN 0.509 nan 8.190 nan 0.000 0.461 890 N N -0.298 118.422 118.700 0.035 0.000 2.300 890 N HA 0.005 4.742 4.740 -0.004 0.000 0.179 890 N C 1.851 177.378 175.510 0.028 0.000 1.016 890 N CA 0.961 54.030 53.050 0.032 0.000 0.876 890 N CB -0.021 38.489 38.487 0.037 0.000 0.979 890 N HN 0.401 nan 8.380 nan 0.000 0.432 891 L N 0.710 121.950 121.223 0.028 0.000 2.042 891 L HA -0.211 4.127 4.340 -0.004 0.000 0.210 891 L C 2.553 179.405 176.870 -0.030 0.000 1.076 891 L CA 1.037 55.888 54.840 0.017 0.000 0.749 891 L CB -0.598 41.480 42.059 0.031 0.000 0.893 891 L HN 0.233 nan 8.230 nan 0.000 0.432 892 C N -0.419 118.852 119.300 -0.048 0.000 2.422 892 C HA -0.165 4.292 4.460 -0.004 0.000 0.279 892 C C 2.760 177.662 174.990 -0.147 0.000 1.305 892 C CA 0.677 59.617 59.018 -0.130 0.000 1.757 892 C CB -0.893 26.800 27.740 -0.079 0.000 1.962 892 C HN 0.541 nan 8.230 nan 0.000 0.499 893 Q N 0.630 120.424 119.800 -0.009 0.000 2.436 893 Q HA -0.089 4.249 4.340 -0.004 0.000 0.209 893 Q C 2.107 178.203 176.000 0.161 0.000 0.965 893 Q CA 1.694 57.559 55.803 0.104 0.000 0.910 893 Q CB -0.100 28.691 28.738 0.088 0.000 0.980 893 Q HN 0.875 nan 8.270 nan 0.000 0.491 894 S N -1.177 114.556 115.700 0.055 0.000 2.539 894 S HA 0.132 4.600 4.470 -0.004 0.000 0.226 894 S C 0.115 174.728 174.600 0.021 0.000 1.054 894 S CA -0.274 57.997 58.200 0.118 0.000 0.910 894 S CB 0.701 63.955 63.200 0.090 0.000 0.818 894 S HN 0.015 nan 8.310 nan 0.000 0.490 895 D N 1.696 121.964 120.400 -0.220 0.000 2.931 895 D HA 0.426 5.063 4.640 -0.004 0.000 0.215 895 D C -3.194 172.852 176.300 -0.423 0.000 1.297 895 D CA -1.303 52.532 54.000 -0.275 0.000 0.892 895 D CB 2.064 42.872 40.800 0.015 0.000 1.642 895 D HN -0.093 nan 8.370 nan 0.000 0.560 896 P HA -0.059 nan 4.420 nan 0.000 0.264 896 P C -0.481 176.818 177.300 -0.002 0.000 1.173 896 P CA 0.060 62.967 63.100 -0.322 0.000 0.761 896 P CB 0.646 32.281 31.700 -0.108 0.000 0.794 897 V N 4.743 124.677 119.914 0.033 0.000 2.448 897 V HA 0.363 4.480 4.120 -0.004 0.000 0.295 897 V C -0.170 175.920 176.094 -0.006 0.000 1.025 897 V CA -0.483 61.840 62.300 0.038 0.000 0.859 897 V CB 1.045 32.859 31.823 -0.014 0.000 0.988 897 V HN 0.407 nan 8.190 nan 0.000 0.431 898 F N 3.667 123.423 119.950 -0.323 0.000 2.379 898 F HA 0.738 5.262 4.527 -0.004 0.000 0.332 898 F C 0.378 176.024 175.800 -0.257 0.000 1.096 898 F CA -0.274 57.409 58.000 -0.528 0.000 1.105 898 F CB 1.431 39.799 39.000 -1.053 0.000 1.189 898 F HN 0.524 nan 8.300 nan 0.000 0.515 899 A N 4.656 127.498 122.820 0.038 0.000 2.872 899 A HA 0.184 4.501 4.320 -0.004 0.000 0.305 899 A C -1.350 176.206 177.584 -0.046 0.000 1.171 899 A CA -0.662 51.350 52.037 -0.042 0.000 0.782 899 A CB 0.031 18.907 19.000 -0.206 0.000 1.329 899 A HN 0.650 nan 8.150 nan 0.000 0.432 900 D N 3.013 123.405 120.400 -0.014 0.000 2.346 900 D HA 0.131 4.768 4.640 -0.004 0.000 0.267 900 D C 0.200 176.427 176.300 -0.123 0.000 1.320 900 D CA 0.246 54.187 54.000 -0.099 0.000 0.951 900 D CB 0.412 40.978 40.800 -0.390 0.000 1.079 900 D HN 0.533 nan 8.370 nan 0.000 0.509 901 L N 3.364 124.558 121.223 -0.048 0.000 2.984 901 L HA 0.199 4.536 4.340 -0.004 0.000 0.246 901 L C 0.693 177.541 176.870 -0.037 0.000 1.268 901 L CA -0.571 54.247 54.840 -0.036 0.000 1.054 901 L CB -0.478 41.522 42.059 -0.097 0.000 1.393 901 L HN 0.162 nan 8.230 nan 0.000 0.532 902 N N 0.963 119.734 118.700 0.118 0.000 2.498 902 N HA 0.186 4.924 4.740 -0.004 0.000 0.287 902 N C 1.018 176.832 175.510 0.507 0.000 1.097 902 N CA -0.138 53.073 53.050 0.268 0.000 0.973 902 N CB 1.945 40.579 38.487 0.245 0.000 1.153 902 N HN 0.152 nan 8.380 nan 0.000 0.472 903 G N 0.938 110.155 108.800 0.695 0.000 3.318 903 G HA2 0.264 4.222 3.960 -0.004 0.000 0.230 903 G HA3 0.264 4.222 3.960 -0.004 0.000 0.230 903 G C 0.892 176.203 174.900 0.685 0.000 1.317 903 G CA 0.115 45.611 45.100 0.659 0.000 1.197 903 G HN 1.029 nan 8.290 nan 0.000 0.514 904 G N -0.511 108.701 108.800 0.687 0.000 2.143 904 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.248 904 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.248 904 G C 1.032 176.267 174.900 0.559 0.000 0.991 904 G CA 0.357 45.829 45.100 0.620 0.000 0.689 904 G HN 0.504 nan 8.290 nan 0.000 0.522 905 L N -0.185 121.318 121.223 0.467 0.000 2.633 905 L HA 0.023 4.360 4.340 -0.004 0.000 0.235 905 L C 2.531 179.605 176.870 0.340 0.000 1.163 905 L CA 1.368 56.444 54.840 0.394 0.000 0.859 905 L CB -0.108 42.187 42.059 0.392 0.000 0.973 905 L HN 0.364 nan 8.230 nan 0.000 0.451 906 Q N -1.060 118.947 119.800 0.345 0.000 2.561 906 Q HA -0.090 4.248 4.340 -0.004 0.000 0.217 906 Q C 1.159 177.107 176.000 -0.086 0.000 0.980 906 Q CA 1.305 57.171 55.803 0.106 0.000 0.927 906 Q CB -0.176 28.569 28.738 0.011 0.000 0.980 906 Q HN 0.484 nan 8.270 nan 0.000 0.525 907 F N -0.757 119.259 119.950 0.110 0.000 2.740 907 F HA 0.285 4.810 4.527 -0.004 0.000 0.304 907 F C 0.492 176.341 175.800 0.081 0.000 1.098 907 F CA -0.540 57.509 58.000 0.081 0.000 1.258 907 F CB 0.706 39.747 39.000 0.069 0.000 1.061 907 F HN -0.093 nan 8.300 nan 0.000 0.598 908 I N 3.924 124.659 120.570 0.274 0.000 2.389 908 I HA 0.172 4.340 4.170 -0.004 0.000 0.295 908 I C -2.432 173.756 176.117 0.118 0.000 1.117 908 I CA -1.628 59.783 61.300 0.185 0.000 1.317 908 I CB -0.261 37.857 38.000 0.196 0.000 1.431 908 I HN -0.212 nan 8.210 nan 0.000 0.521 909 P HA 0.222 nan 4.420 nan 0.000 0.287 909 P C -0.191 177.113 177.300 0.007 0.000 1.270 909 P CA -0.304 62.815 63.100 0.032 0.000 0.844 909 P CB 0.698 32.414 31.700 0.028 0.000 1.068 910 D N 0.173 120.552 120.400 -0.035 0.000 2.689 910 D HA -0.145 4.492 4.640 -0.004 0.000 0.237 910 D C 0.705 176.953 176.300 -0.086 0.000 1.148 910 D CA 0.162 54.119 54.000 -0.071 0.000 0.656 910 D CB -0.656 40.122 40.800 -0.037 0.000 1.050 910 D HN 0.185 nan 8.370 nan 0.000 0.426 911 L N 1.523 122.677 121.223 -0.115 0.000 2.042 911 L HA -0.153 4.184 4.340 -0.004 0.000 0.210 911 L C 2.507 179.283 176.870 -0.158 0.000 1.076 911 L CA 2.901 57.700 54.840 -0.068 0.000 0.749 911 L CB -0.780 41.281 42.059 0.002 0.000 0.893 911 L HN 0.469 nan 8.230 nan 0.000 0.432 912 K N -1.309 118.812 120.400 -0.466 0.000 2.152 912 K HA -0.090 4.227 4.320 -0.004 0.000 0.206 912 K C 1.946 178.474 176.600 -0.120 0.000 1.048 912 K CA 1.552 57.603 56.287 -0.393 0.000 0.933 912 K CB -1.024 31.102 32.500 -0.623 0.000 0.721 912 K HN 0.328 nan 8.250 nan 0.000 0.447 913 G N 2.056 110.794 108.800 -0.103 0.000 2.404 913 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.215 913 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.215 913 G C 1.462 176.365 174.900 0.004 0.000 1.174 913 G CA 0.848 45.927 45.100 -0.036 0.000 0.780 913 G HN 0.314 nan 8.290 nan 0.000 0.537 914 L N 0.776 122.009 121.223 0.018 0.000 1.990 914 L HA -0.118 4.219 4.340 -0.004 0.000 0.213 914 L C 2.800 179.718 176.870 0.080 0.000 1.072 914 L CA 2.139 57.012 54.840 0.055 0.000 0.755 914 L CB -0.680 41.426 42.059 0.079 0.000 0.889 914 L HN 0.292 nan 8.230 nan 0.000 0.432 915 M N -0.451 119.212 119.600 0.106 0.000 2.084 915 M HA -0.216 4.262 4.480 -0.004 0.000 0.259 915 M C 2.201 178.559 176.300 0.097 0.000 1.072 915 M CA 2.758 58.144 55.300 0.145 0.000 1.107 915 M CB -1.450 31.263 32.600 0.187 0.000 1.299 915 M HN 0.590 nan 8.290 nan 0.000 0.413 916 T N -0.909 113.686 114.554 0.070 0.000 2.822 916 T HA -0.216 4.132 4.350 -0.004 0.000 0.270 916 T C 1.688 176.415 174.700 0.044 0.000 1.064 916 T CA 1.766 63.897 62.100 0.051 0.000 1.131 916 T CB -0.460 68.428 68.868 0.034 0.000 0.858 916 T HN 0.427 nan 8.240 nan 0.000 0.483 917 K N 0.832 121.259 120.400 0.044 0.000 2.001 917 K HA 0.034 4.351 4.320 -0.004 0.000 0.208 917 K C 2.372 178.999 176.600 0.045 0.000 1.048 917 K CA 1.077 57.387 56.287 0.039 0.000 0.932 917 K CB -0.340 32.182 32.500 0.037 0.000 0.715 917 K HN 0.370 nan 8.250 nan 0.000 0.437 918 L N 0.836 122.094 121.223 0.058 0.000 2.017 918 L HA -0.170 4.168 4.340 -0.004 0.000 0.208 918 L C 2.798 179.702 176.870 0.056 0.000 1.073 918 L CA 1.023 55.899 54.840 0.060 0.000 0.745 918 L CB -0.442 41.663 42.059 0.078 0.000 0.894 918 L HN 0.204 nan 8.230 nan 0.000 0.432 919 R N 0.329 120.866 120.500 0.062 0.000 2.159 919 R HA -0.293 4.045 4.340 -0.004 0.000 0.249 919 R C 2.252 178.575 176.300 0.039 0.000 1.136 919 R CA 2.172 58.302 56.100 0.051 0.000 0.951 919 R CB -0.517 29.814 30.300 0.050 0.000 0.876 919 R HN 0.353 nan 8.270 nan 0.000 0.440 920 K N 0.699 121.121 120.400 0.036 0.000 1.965 920 K HA -0.187 4.131 4.320 -0.004 0.000 0.214 920 K C 2.007 178.624 176.600 0.029 0.000 1.046 920 K CA 2.033 58.338 56.287 0.029 0.000 0.944 920 K CB -0.113 32.403 32.500 0.027 0.000 0.726 920 K HN 0.215 nan 8.250 nan 0.000 0.441 921 E N 0.597 120.816 120.200 0.030 0.000 2.068 921 E HA -0.274 4.074 4.350 -0.004 0.000 0.207 921 E C 2.085 178.702 176.600 0.029 0.000 1.032 921 E CA 2.203 58.620 56.400 0.029 0.000 0.839 921 E CB -0.389 29.330 29.700 0.030 0.000 0.758 921 E HN 0.378 nan 8.360 nan 0.000 0.457 922 I N 0.423 121.013 120.570 0.033 0.000 2.118 922 I HA -0.308 3.859 4.170 -0.004 0.000 0.241 922 I C 2.517 178.652 176.117 0.030 0.000 1.070 922 I CA 0.976 62.296 61.300 0.033 0.000 1.327 922 I CB -0.346 37.677 38.000 0.038 0.000 1.034 922 I HN 0.202 nan 8.210 nan 0.000 0.405 923 M N 0.029 119.646 119.600 0.028 0.000 2.213 923 M HA -0.196 4.282 4.480 -0.004 0.000 0.263 923 M C 2.138 178.451 176.300 0.023 0.000 1.062 923 M CA 1.604 56.919 55.300 0.025 0.000 1.105 923 M CB -1.160 31.454 32.600 0.023 0.000 1.385 923 M HN 0.295 nan 8.290 nan 0.000 0.417 924 E N -0.018 120.196 120.200 0.023 0.000 2.008 924 E HA -0.153 4.194 4.350 -0.004 0.000 0.191 924 E C 1.866 178.478 176.600 0.020 0.000 0.986 924 E CA 1.988 58.401 56.400 0.021 0.000 0.807 924 E CB 0.080 29.792 29.700 0.020 0.000 0.766 924 E HN 0.565 nan 8.360 nan 0.000 0.450 925 T N -0.807 113.760 114.554 0.021 0.000 2.803 925 T HA -0.204 4.143 4.350 -0.004 0.000 0.269 925 T C 2.116 176.828 174.700 0.021 0.000 1.052 925 T CA 1.721 63.833 62.100 0.021 0.000 1.136 925 T CB -0.551 68.330 68.868 0.022 0.000 0.864 925 T HN 0.195 nan 8.240 nan 0.000 0.467 926 S N 2.272 117.986 115.700 0.023 0.000 2.371 926 S HA 0.161 4.628 4.470 -0.004 0.000 0.224 926 S C 2.511 177.124 174.600 0.021 0.000 1.029 926 S CA 0.833 59.047 58.200 0.023 0.000 0.978 926 S CB -0.974 62.242 63.200 0.026 0.000 0.833 926 S HN 0.749 nan 8.310 nan 0.000 0.466 927 A N 2.224 125.056 122.820 0.020 0.000 1.877 927 A HA 0.056 4.374 4.320 -0.004 0.000 0.216 927 A C 2.259 179.854 177.584 0.018 0.000 1.186 927 A CA 1.584 53.632 52.037 0.019 0.000 0.620 927 A CB -0.982 18.029 19.000 0.018 0.000 0.822 927 A HN 0.616 nan 8.150 nan 0.000 0.443 928 I N -1.081 119.499 120.570 0.017 0.000 2.127 928 I HA -0.312 3.855 4.170 -0.004 0.000 0.241 928 I C 2.747 178.874 176.117 0.016 0.000 1.075 928 I CA 1.997 63.307 61.300 0.016 0.000 1.334 928 I CB -0.419 37.591 38.000 0.016 0.000 1.040 928 I HN 0.379 nan 8.210 nan 0.000 0.405 929 R N 1.083 121.593 120.500 0.017 0.000 2.083 929 R HA -0.243 4.094 4.340 -0.004 0.000 0.237 929 R C 2.432 178.742 176.300 0.018 0.000 1.137 929 R CA 2.149 58.259 56.100 0.017 0.000 0.951 929 R CB -0.194 30.117 30.300 0.018 0.000 0.851 929 R HN 0.570 nan 8.270 nan 0.000 0.434 930 Q N -0.974 118.837 119.800 0.018 0.000 2.311 930 Q HA 0.055 4.392 4.340 -0.004 0.000 0.203 930 Q C 1.889 177.899 176.000 0.018 0.000 0.954 930 Q CA 0.863 56.677 55.803 0.019 0.000 0.885 930 Q CB -0.032 28.718 28.738 0.019 0.000 0.963 930 Q HN 0.315 nan 8.270 nan 0.000 0.471 931 A N 1.895 124.725 122.820 0.017 0.000 1.841 931 A HA -0.146 4.171 4.320 -0.004 0.000 0.216 931 A C 2.414 180.008 177.584 0.016 0.000 1.199 931 A CA 1.750 53.796 52.037 0.016 0.000 0.621 931 A CB -1.125 17.884 19.000 0.015 0.000 0.835 931 A HN 0.202 nan 8.150 nan 0.000 0.445 932 V N 0.578 120.501 119.914 0.015 0.000 2.277 932 V HA -0.371 3.746 4.120 -0.004 0.000 0.253 932 V C 2.449 178.553 176.094 0.016 0.000 1.067 932 V CA 2.338 64.647 62.300 0.015 0.000 1.047 932 V CB -0.891 30.941 31.823 0.014 0.000 0.649 932 V HN 0.577 nan 8.190 nan 0.000 0.447 933 I N -0.711 119.870 120.570 0.017 0.000 2.087 933 I HA -0.361 3.806 4.170 -0.004 0.000 0.240 933 I C 2.642 178.770 176.117 0.019 0.000 1.054 933 I CA 2.047 63.358 61.300 0.018 0.000 1.311 933 I CB -0.576 37.435 38.000 0.019 0.000 1.024 933 I HN 0.293 nan 8.210 nan 0.000 0.402 934 K N 0.342 120.753 120.400 0.019 0.000 2.020 934 K HA -0.220 4.098 4.320 -0.004 0.000 0.212 934 K C 2.135 178.746 176.600 0.019 0.000 1.050 934 K CA 1.520 57.819 56.287 0.019 0.000 0.929 934 K CB -0.168 32.343 32.500 0.018 0.000 0.714 934 K HN 0.261 nan 8.250 nan 0.000 0.443 935 E N -0.002 120.208 120.200 0.017 0.000 2.048 935 E HA -0.215 4.132 4.350 -0.004 0.000 0.202 935 E C 2.189 178.798 176.600 0.016 0.000 1.021 935 E CA 2.223 58.632 56.400 0.015 0.000 0.825 935 E CB -0.686 29.022 29.700 0.014 0.000 0.756 935 E HN 0.532 nan 8.360 nan 0.000 0.454 936 T N -0.609 113.954 114.554 0.016 0.000 2.777 936 T HA -0.001 4.347 4.350 -0.004 0.000 0.266 936 T C 2.076 176.787 174.700 0.019 0.000 1.040 936 T CA 1.583 63.692 62.100 0.015 0.000 1.141 936 T CB -0.356 68.521 68.868 0.014 0.000 0.868 936 T HN 0.170 nan 8.240 nan 0.000 0.444 937 A N 0.645 123.479 122.820 0.023 0.000 2.121 937 A HA 0.247 4.564 4.320 -0.004 0.000 0.218 937 A C 2.252 179.854 177.584 0.030 0.000 1.154 937 A CA 0.815 52.870 52.037 0.029 0.000 0.679 937 A CB -0.806 18.213 19.000 0.031 0.000 0.795 937 A HN 0.634 nan 8.150 nan 0.000 0.458 938 I N -1.204 119.381 120.570 0.025 0.000 2.703 938 I HA -0.097 4.070 4.170 -0.004 0.000 0.259 938 I C 2.192 178.322 176.117 0.021 0.000 1.151 938 I CA 0.632 61.946 61.300 0.024 0.000 1.470 938 I CB -0.130 37.882 38.000 0.020 0.000 1.112 938 I HN 0.333 nan 8.210 nan 0.000 0.437 939 E N 0.904 121.114 120.200 0.017 0.000 2.204 939 E HA -0.194 4.154 4.350 -0.004 0.000 0.195 939 E C 1.624 178.231 176.600 0.012 0.000 0.990 939 E CA 0.913 57.320 56.400 0.012 0.000 0.821 939 E CB -0.060 29.645 29.700 0.009 0.000 0.750 939 E HN 0.448 nan 8.360 nan 0.000 0.477 940 N N 1.038 119.750 118.700 0.019 0.000 2.142 940 N HA -0.118 4.620 4.740 -0.004 0.000 0.186 940 N C 1.421 176.952 175.510 0.034 0.000 1.023 940 N CA 0.971 54.035 53.050 0.023 0.000 0.852 940 N CB -0.100 38.410 38.487 0.038 0.000 0.998 940 N HN 0.058 nan 8.380 nan 0.000 0.424 941 K N 0.184 120.609 120.400 0.041 0.000 2.209 941 K HA 0.002 4.320 4.320 -0.004 0.000 0.204 941 K C 1.758 178.378 176.600 0.033 0.000 1.048 941 K CA 0.416 56.731 56.287 0.046 0.000 0.940 941 K CB 0.042 32.568 32.500 0.043 0.000 0.729 941 K HN -0.037 nan 8.250 nan 0.000 0.451 942 V N -0.066 119.861 119.914 0.021 0.000 2.379 942 V HA -0.170 3.948 4.120 -0.004 0.000 0.245 942 V C 1.940 178.037 176.094 0.005 0.000 1.044 942 V CA 1.330 63.638 62.300 0.013 0.000 1.036 942 V CB 0.148 31.977 31.823 0.009 0.000 0.664 942 V HN 0.076 nan 8.190 nan 0.000 0.453 943 V N 0.319 120.231 119.914 -0.004 0.000 2.426 943 V HA -0.032 4.086 4.120 -0.004 0.000 0.242 943 V C 1.849 177.918 176.094 -0.042 0.000 1.036 943 V CA 1.515 63.801 62.300 -0.023 0.000 1.044 943 V CB -0.532 31.271 31.823 -0.033 0.000 0.688 943 V HN 0.543 nan 8.190 nan 0.000 0.462 944 N N 0.344 119.017 118.700 -0.045 0.000 2.398 944 N HA 0.248 4.986 4.740 -0.004 0.000 0.188 944 N C 0.883 176.406 175.510 0.020 0.000 1.122 944 N CA 0.927 53.924 53.050 -0.088 0.000 0.866 944 N CB 0.404 38.792 38.487 -0.165 0.000 0.970 944 N HN 0.527 nan 8.380 nan 0.000 0.462 945 G N 1.024 109.847 108.800 0.038 0.000 2.758 945 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.686 945 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.686 945 G C 0.357 175.309 174.900 0.087 0.000 1.389 945 G CA -0.282 44.852 45.100 0.058 0.000 0.845 945 G HN 0.051 nan 8.290 nan 0.000 0.572 946 E N 0.234 120.476 120.200 0.070 0.000 2.085 946 E HA -0.044 4.303 4.350 -0.004 0.000 0.194 946 E C 2.199 178.853 176.600 0.089 0.000 0.994 946 E CA 1.977 58.419 56.400 0.070 0.000 0.801 946 E CB -0.130 29.600 29.700 0.049 0.000 0.743 946 E HN 0.567 nan 8.360 nan 0.000 0.453 947 D N -0.673 119.784 120.400 0.095 0.000 2.087 947 D HA -0.190 4.447 4.640 -0.004 0.000 0.192 947 D C 1.948 178.341 176.300 0.156 0.000 0.993 947 D CA 1.321 55.381 54.000 0.101 0.000 0.828 947 D CB -0.687 40.169 40.800 0.092 0.000 0.968 947 D HN 0.314 nan 8.370 nan 0.000 0.448 948 H N 1.349 120.486 119.070 0.112 0.000 2.290 948 H HA -0.115 4.438 4.556 -0.004 0.000 0.298 948 H C 1.781 177.252 175.328 0.239 0.000 1.087 948 H CA 1.592 57.746 56.048 0.176 0.000 1.291 948 H CB 0.222 30.020 29.762 0.061 0.000 1.369 948 H HN 0.012 nan 8.280 nan 0.000 0.492 949 E N 0.735 121.107 120.200 0.287 0.000 2.070 949 E HA -0.158 4.189 4.350 -0.004 0.000 0.197 949 E C 2.427 179.103 176.600 0.128 0.000 1.004 949 E CA 1.087 57.609 56.400 0.205 0.000 0.805 949 E CB -0.657 29.140 29.700 0.161 0.000 0.744 949 E HN 0.580 nan 8.360 nan 0.000 0.451 950 A N 1.425 124.301 122.820 0.094 0.000 1.873 950 A HA -0.182 4.136 4.320 -0.004 0.000 0.218 950 A C 2.332 179.914 177.584 -0.004 0.000 1.193 950 A CA 1.593 53.657 52.037 0.044 0.000 0.629 950 A CB -0.870 18.149 19.000 0.032 0.000 0.826 950 A HN 0.258 nan 8.150 nan 0.000 0.447 951 L N -2.347 118.850 121.223 -0.044 0.000 2.551 951 L HA -0.061 4.276 4.340 -0.004 0.000 0.228 951 L C 0.385 176.950 176.870 -0.508 0.000 1.153 951 L CA 0.583 55.262 54.840 -0.269 0.000 0.851 951 L CB -0.442 41.402 42.059 -0.358 0.000 0.959 951 L HN 0.485 nan 8.230 nan 0.000 0.451 952 Y N 0.159 120.385 120.300 -0.124 0.000 2.617 952 Y HA 0.370 4.917 4.550 -0.004 0.000 0.328 952 Y C 0.209 176.078 175.900 -0.052 0.000 0.946 952 Y CA -0.590 57.444 58.100 -0.111 0.000 1.241 952 Y CB 0.308 38.652 38.460 -0.193 0.000 1.226 952 Y HN -0.011 nan 8.280 nan 0.000 0.582 953 R N 0.226 120.747 120.500 0.035 0.000 2.599 953 R HA 0.462 4.799 4.340 -0.004 0.000 0.295 953 R C -0.261 176.048 176.300 0.015 0.000 0.963 953 R CA -1.161 54.960 56.100 0.036 0.000 0.883 953 R CB 1.666 31.983 30.300 0.028 0.000 1.171 953 R HN 0.245 nan 8.270 nan 0.000 0.450 954 R N 1.653 122.168 120.500 0.024 0.000 2.638 954 R HA -0.042 4.295 4.340 -0.004 0.000 0.351 954 R C -0.296 176.009 176.300 0.008 0.000 0.871 954 R CA 0.240 56.350 56.100 0.017 0.000 1.091 954 R CB 0.020 30.334 30.300 0.022 0.000 0.900 954 R HN 0.300 nan 8.270 nan 0.000 0.405 955 V N 7.116 127.029 119.914 -0.002 0.000 2.403 955 V HA 0.040 4.158 4.120 -0.004 0.000 0.265 955 V C 0.804 176.902 176.094 0.006 0.000 1.034 955 V CA 0.355 62.653 62.300 -0.003 0.000 1.036 955 V CB 0.330 32.143 31.823 -0.015 0.000 1.032 955 V HN 0.566 nan 8.190 nan 0.000 0.478 956 I N 5.611 126.188 120.570 0.012 0.000 2.291 956 I HA 0.192 4.359 4.170 -0.004 0.000 0.290 956 I C 1.017 177.146 176.117 0.020 0.000 1.050 956 I CA -0.344 60.966 61.300 0.017 0.000 1.245 956 I CB 1.395 39.408 38.000 0.020 0.000 1.405 956 I HN 0.680 nan 8.210 nan 0.000 0.478 957 T N 2.506 117.072 114.554 0.020 0.000 2.946 957 T HA 0.054 4.402 4.350 -0.004 0.000 0.312 957 T C 0.079 174.798 174.700 0.032 0.000 1.066 957 T CA -0.466 61.649 62.100 0.024 0.000 1.138 957 T CB 0.439 69.322 68.868 0.024 0.000 1.014 957 T HN 0.480 nan 8.240 nan 0.000 0.544 958 E N 3.338 123.561 120.200 0.037 0.000 2.200 958 E HA 0.308 4.656 4.350 -0.004 0.000 0.283 958 E C -2.244 174.389 176.600 0.055 0.000 1.015 958 E CA -1.922 54.506 56.400 0.047 0.000 0.819 958 E CB 0.474 30.205 29.700 0.052 0.000 1.081 958 E HN 0.541 nan 8.360 nan 0.000 0.397 959 P HA 0.085 nan 4.420 nan 0.000 0.271 959 P C -0.551 176.799 177.300 0.084 0.000 1.226 959 P CA 0.161 63.301 63.100 0.067 0.000 0.765 959 P CB 0.696 32.436 31.700 0.067 0.000 0.835 960 R N 1.543 122.095 120.500 0.087 0.000 2.719 960 R HA 0.848 5.186 4.340 -0.004 0.000 0.233 960 R C -0.487 175.887 176.300 0.122 0.000 1.257 960 R CA -1.035 55.132 56.100 0.111 0.000 1.109 960 R CB 1.281 31.640 30.300 0.097 0.000 1.447 960 R HN 0.470 nan 8.270 nan 0.000 0.537 961 A N 1.621 124.533 122.820 0.153 0.000 2.355 961 A HA 0.381 4.699 4.320 -0.004 0.000 0.317 961 A C -1.218 176.474 177.584 0.180 0.000 1.094 961 A CA -0.889 51.245 52.037 0.162 0.000 0.764 961 A CB 0.974 20.084 19.000 0.183 0.000 1.230 961 A HN 0.780 nan 8.150 nan 0.000 0.448 962 N N 2.412 121.214 118.700 0.170 0.000 2.342 962 N HA 0.411 5.149 4.740 -0.004 0.000 0.293 962 N C -1.578 174.076 175.510 0.239 0.000 1.026 962 N CA -0.543 52.632 53.050 0.207 0.000 0.857 962 N CB 1.363 39.947 38.487 0.161 0.000 1.256 962 N HN 0.454 nan 8.380 nan 0.000 0.484 963 L N 2.189 123.619 121.223 0.345 0.000 2.282 963 L HA 0.291 4.629 4.340 -0.004 0.000 0.287 963 L C 0.417 177.495 176.870 0.347 0.000 1.075 963 L CA -0.579 54.429 54.840 0.279 0.000 0.839 963 L CB 0.301 42.499 42.059 0.231 0.000 1.219 963 L HN 0.352 nan 8.230 nan 0.000 0.434 964 K N 2.843 123.382 120.400 0.231 0.000 2.298 964 K HA 0.137 4.454 4.320 -0.004 0.000 0.280 964 K C -0.718 175.965 176.600 0.138 0.000 1.032 964 K CA -0.332 56.116 56.287 0.269 0.000 0.958 964 K CB 0.832 33.413 32.500 0.136 0.000 0.978 964 K HN 0.300 nan 8.250 nan 0.000 0.472 965 Y N 4.272 124.643 120.300 0.117 0.000 2.751 965 Y HA 0.204 4.752 4.550 -0.004 0.000 0.333 965 Y C -2.239 173.600 175.900 -0.103 0.000 1.122 965 Y CA -2.460 55.581 58.100 -0.099 0.000 1.367 965 Y CB 0.598 38.980 38.460 -0.129 0.000 1.242 965 Y HN 0.437 nan 8.280 nan 0.000 0.505 966 P HA 0.129 nan 4.420 nan 0.000 0.287 966 P C -0.758 176.658 177.300 0.192 0.000 1.281 966 P CA -0.080 63.032 63.100 0.021 0.000 0.781 966 P CB 0.615 32.321 31.700 0.009 0.000 0.903 967 F N 3.668 123.672 119.950 0.090 0.000 2.390 967 F HA 0.351 4.876 4.527 -0.004 0.000 0.307 967 F C -1.462 174.297 175.800 -0.069 0.000 1.227 967 F CA -2.590 55.429 58.000 0.033 0.000 1.179 967 F CB -1.245 37.763 39.000 0.012 0.000 1.280 967 F HN 0.218 nan 8.300 nan 0.000 0.548 968 P HA 0.022 nan 4.420 nan 0.000 0.267 968 P C -0.864 176.459 177.300 0.039 0.000 1.200 968 P CA -0.066 62.959 63.100 -0.126 0.000 0.772 968 P CB 0.238 31.688 31.700 -0.417 0.000 0.855 969 E N 1.488 121.734 120.200 0.076 0.000 2.415 969 E HA 0.050 4.397 4.350 -0.004 0.000 0.260 969 E C -0.245 176.454 176.600 0.165 0.000 1.016 969 E CA -0.104 56.368 56.400 0.120 0.000 0.924 969 E CB -0.016 29.764 29.700 0.134 0.000 0.961 969 E HN 0.337 nan 8.360 nan 0.000 0.459 970 L N 6.376 127.694 121.223 0.158 0.000 2.360 970 L HA 0.240 4.577 4.340 -0.004 0.000 0.276 970 L C -1.880 175.135 176.870 0.242 0.000 1.121 970 L CA -1.998 52.962 54.840 0.200 0.000 0.845 970 L CB -0.292 41.829 42.059 0.103 0.000 1.143 970 L HN 0.293 nan 8.230 nan 0.000 0.452 971 P HA -0.009 nan 4.420 nan 0.000 0.269 971 P C -0.784 176.627 177.300 0.185 0.000 1.217 971 P CA -0.340 62.897 63.100 0.229 0.000 0.783 971 P CB 0.421 32.260 31.700 0.232 0.000 0.898 972 D N 0.607 121.076 120.400 0.116 0.000 2.348 972 D HA -0.038 4.600 4.640 -0.004 0.000 0.253 972 D C 0.996 177.326 176.300 0.051 0.000 1.161 972 D CA -0.295 53.773 54.000 0.113 0.000 0.876 972 D CB 0.237 41.085 40.800 0.080 0.000 1.160 972 D HN 0.419 nan 8.370 nan 0.000 0.459 973 W N 4.557 125.807 121.300 -0.084 0.000 2.317 973 W HA -0.244 4.414 4.660 -0.004 0.000 0.318 973 W C 0.660 177.108 176.519 -0.118 0.000 1.227 973 W CA 1.470 58.698 57.345 -0.194 0.000 1.269 973 W CB 0.096 29.491 29.460 -0.108 0.000 1.155 973 W HN 0.501 nan 8.180 nan 0.000 0.484 974 D N 0.194 120.546 120.400 -0.079 0.000 2.075 974 D HA -0.179 4.458 4.640 -0.004 0.000 0.196 974 D C 2.052 178.229 176.300 -0.206 0.000 0.985 974 D CA 1.522 55.417 54.000 -0.176 0.000 0.834 974 D CB -0.526 40.282 40.800 0.014 0.000 0.987 974 D HN 0.241 nan 8.370 nan 0.000 0.452 975 K N 0.268 120.604 120.400 -0.107 0.000 2.097 975 K HA -0.107 4.210 4.320 -0.004 0.000 0.206 975 K C 1.406 177.923 176.600 -0.138 0.000 1.049 975 K CA 1.038 57.267 56.287 -0.097 0.000 0.933 975 K CB 0.180 32.658 32.500 -0.036 0.000 0.717 975 K HN 0.154 nan 8.250 nan 0.000 0.442 976 D N -0.425 119.878 120.400 -0.162 0.000 2.597 976 D HA 0.108 4.746 4.640 -0.004 0.000 0.261 976 D C 1.961 178.098 176.300 -0.272 0.000 1.023 976 D CA 0.575 54.475 54.000 -0.166 0.000 0.927 976 D CB 0.393 41.145 40.800 -0.080 0.000 1.168 976 D HN 0.085 nan 8.370 nan 0.000 0.491 977 I N 0.756 121.088 120.570 -0.397 0.000 2.556 977 I HA -0.037 4.131 4.170 -0.004 0.000 0.251 977 I C 2.413 178.074 176.117 -0.760 0.000 1.105 977 I CA 0.174 61.154 61.300 -0.533 0.000 1.436 977 I CB -0.094 37.567 38.000 -0.565 0.000 1.139 977 I HN -0.171 nan 8.210 nan 0.000 0.438 978 K N 1.837 121.562 120.400 -1.124 0.000 2.071 978 K HA -0.221 4.096 4.320 -0.004 0.000 0.217 978 K C -0.740 175.568 176.600 -0.486 0.000 1.054 978 K CA 2.389 58.095 56.287 -0.968 0.000 0.937 978 K CB -1.049 30.977 32.500 -0.791 0.000 0.719 978 K HN 0.155 nan 8.250 nan 0.000 0.454 979 P HA -0.122 nan 4.420 nan 0.000 0.229 979 P C 0.301 177.469 177.300 -0.220 0.000 1.150 979 P CA 1.182 64.135 63.100 -0.245 0.000 0.765 979 P CB 0.088 31.659 31.700 -0.214 0.000 0.783 980 L N -3.198 117.865 121.223 -0.266 0.000 2.840 980 L HA 0.266 4.604 4.340 -0.004 0.000 0.249 980 L C 1.906 178.687 176.870 -0.149 0.000 1.119 980 L CA 0.183 54.899 54.840 -0.207 0.000 0.930 980 L CB -1.157 40.729 42.059 -0.288 0.000 1.295 980 L HN -0.208 nan 8.230 nan 0.000 0.534 981 N N 1.311 119.898 118.700 -0.189 0.000 2.133 981 N HA -0.261 4.477 4.740 -0.004 0.000 0.193 981 N C 1.362 176.861 175.510 -0.020 0.000 1.012 981 N CA 1.871 54.873 53.050 -0.081 0.000 0.871 981 N CB -0.033 38.399 38.487 -0.092 0.000 1.011 981 N HN 0.305 nan 8.380 nan 0.000 0.435 982 D N 0.160 120.533 120.400 -0.045 0.000 2.092 982 D HA -0.160 4.478 4.640 -0.004 0.000 0.193 982 D C 1.845 178.137 176.300 -0.014 0.000 0.994 982 D CA 1.236 55.222 54.000 -0.022 0.000 0.828 982 D CB -0.232 40.547 40.800 -0.035 0.000 0.963 982 D HN 0.569 nan 8.370 nan 0.000 0.450 983 Q N -0.555 119.233 119.800 -0.019 0.000 2.212 983 Q HA 0.085 4.423 4.340 -0.004 0.000 0.199 983 Q C 1.898 177.897 176.000 -0.001 0.000 0.950 983 Q CA 0.407 56.203 55.803 -0.011 0.000 0.863 983 Q CB 0.275 29.010 28.738 -0.006 0.000 0.944 983 Q HN 0.203 nan 8.270 nan 0.000 0.465 984 L N 0.090 121.320 121.223 0.011 0.000 2.607 984 L HA 0.145 4.482 4.340 -0.004 0.000 0.228 984 L C 0.715 177.612 176.870 0.045 0.000 1.123 984 L CA -0.056 54.804 54.840 0.033 0.000 0.890 984 L CB 0.274 42.378 42.059 0.075 0.000 1.103 984 L HN -0.025 nan 8.230 nan 0.000 0.468 985 R N 0.685 121.213 120.500 0.045 0.000 2.449 985 R HA 0.195 4.532 4.340 -0.004 0.000 0.296 985 R C 1.109 177.433 176.300 0.041 0.000 1.047 985 R CA 0.768 56.908 56.100 0.068 0.000 1.018 985 R CB 0.303 30.647 30.300 0.073 0.000 0.962 985 R HN 0.279 nan 8.270 nan 0.000 0.428 986 G N 4.669 113.499 108.800 0.051 0.000 2.337 986 G HA2 -0.261 3.697 3.960 -0.004 0.000 0.290 986 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.290 986 G C 0.583 175.485 174.900 0.003 0.000 1.003 986 G CA 0.460 45.579 45.100 0.030 0.000 0.825 986 G HN 0.533 nan 8.290 nan 0.000 0.509 987 M N -0.635 118.956 119.600 -0.015 0.000 2.505 987 M HA 0.357 4.835 4.480 -0.004 0.000 0.230 987 M C 0.411 176.666 176.300 -0.075 0.000 1.153 987 M CA 0.257 55.533 55.300 -0.040 0.000 0.997 987 M CB 0.245 32.816 32.600 -0.048 0.000 1.606 987 M HN 0.065 nan 8.290 nan 0.000 0.481 988 V N 1.010 120.876 119.914 -0.080 0.000 2.752 988 V HA 0.235 4.352 4.120 -0.004 0.000 0.302 988 V C -0.694 175.377 176.094 -0.039 0.000 1.133 988 V CA -1.306 60.919 62.300 -0.125 0.000 0.919 988 V CB 2.645 34.261 31.823 -0.344 0.000 1.026 988 V HN 0.253 nan 8.190 nan 0.000 0.429 989 N N 5.141 123.828 118.700 -0.022 0.000 2.399 989 N HA 0.192 4.930 4.740 -0.004 0.000 0.259 989 N C 0.928 176.453 175.510 0.024 0.000 1.160 989 N CA 0.032 53.082 53.050 0.000 0.000 0.946 989 N CB 0.676 39.154 38.487 -0.014 0.000 1.156 989 N HN 0.686 nan 8.380 nan 0.000 0.489 990 L N 1.595 122.843 121.223 0.043 0.000 2.456 990 L HA -0.076 4.261 4.340 -0.004 0.000 0.224 990 L C 1.026 177.928 176.870 0.053 0.000 1.148 990 L CA 0.847 55.728 54.840 0.069 0.000 0.825 990 L CB -0.230 41.873 42.059 0.072 0.000 0.937 990 L HN 0.551 nan 8.230 nan 0.000 0.450 991 D N -0.059 120.358 120.400 0.028 0.000 2.339 991 D HA -0.051 4.586 4.640 -0.004 0.000 0.217 991 D C 1.274 177.570 176.300 -0.007 0.000 1.050 991 D CA 0.556 54.564 54.000 0.013 0.000 0.856 991 D CB 0.361 41.163 40.800 0.003 0.000 0.922 991 D HN 0.025 nan 8.370 nan 0.000 0.518 992 K N -0.023 120.375 120.400 -0.003 0.000 2.676 992 K HA 0.228 4.546 4.320 -0.004 0.000 0.205 992 K C -1.063 175.555 176.600 0.029 0.000 1.084 992 K CA -0.188 56.081 56.287 -0.030 0.000 1.057 992 K CB 2.144 34.606 32.500 -0.065 0.000 0.791 992 K HN -0.052 nan 8.250 nan 0.000 0.484 993 V N 1.941 121.909 119.914 0.090 0.000 2.384 993 V HA 0.262 4.380 4.120 -0.004 0.000 0.287 993 V C -0.203 175.986 176.094 0.158 0.000 1.020 993 V CA -0.809 61.612 62.300 0.202 0.000 0.850 993 V CB 1.891 33.891 31.823 0.295 0.000 0.987 993 V HN -0.112 nan 8.190 nan 0.000 0.436 994 V N 6.240 126.280 119.914 0.209 0.000 2.439 994 V HA 0.549 4.666 4.120 -0.004 0.000 0.282 994 V C -0.111 176.067 176.094 0.141 0.000 1.039 994 V CA -0.437 61.972 62.300 0.182 0.000 0.913 994 V CB 1.712 33.724 31.823 0.315 0.000 0.983 994 V HN 0.553 nan 8.190 nan 0.000 0.460 995 V N 5.043 125.013 119.914 0.093 0.000 2.709 995 V HA 0.424 4.541 4.120 -0.004 0.000 0.308 995 V C -0.443 175.694 176.094 0.072 0.000 1.062 995 V CA -0.592 61.739 62.300 0.051 0.000 0.901 995 V CB 2.708 34.544 31.823 0.021 0.000 1.003 995 V HN 0.636 nan 8.190 nan 0.000 0.425 996 V N 3.996 123.956 119.914 0.076 0.000 2.368 996 V HA 0.256 4.374 4.120 -0.004 0.000 0.266 996 V C 1.074 177.276 176.094 0.181 0.000 1.045 996 V CA 0.441 62.805 62.300 0.107 0.000 0.899 996 V CB 0.841 32.721 31.823 0.095 0.000 1.006 996 V HN 1.034 nan 8.190 nan 0.000 0.470 997 T N 3.084 117.740 114.554 0.170 0.000 2.990 997 T HA 0.317 4.664 4.350 -0.004 0.000 0.250 997 T C 0.693 175.544 174.700 0.251 0.000 1.041 997 T CA 0.679 62.916 62.100 0.228 0.000 1.010 997 T CB 0.046 68.995 68.868 0.135 0.000 1.003 997 T HN 0.806 nan 8.240 nan 0.000 0.499 998 G N 0.985 109.852 108.800 0.111 0.000 2.524 998 G HA2 0.672 4.629 3.960 -0.004 0.000 0.310 998 G HA3 0.672 4.629 3.960 -0.004 0.000 0.310 998 G C -1.990 172.836 174.900 -0.123 0.000 1.279 998 G CA -0.453 44.664 45.100 0.028 0.000 0.974 998 G HN 0.326 nan 8.290 nan 0.000 0.484 999 L N 0.656 121.777 121.223 -0.171 0.000 2.526 999 L HA 0.743 5.080 4.340 -0.004 0.000 0.263 999 L C -0.749 176.074 176.870 -0.078 0.000 0.943 999 L CA -0.545 54.162 54.840 -0.222 0.000 0.859 999 L CB 1.820 43.549 42.059 -0.550 0.000 1.313 999 L HN 1.024 nan 8.230 nan 0.000 0.406 1000 A N 3.882 126.694 122.820 -0.012 0.000 2.583 1000 A HA 0.726 5.044 4.320 -0.004 0.000 0.292 1000 A C -1.745 175.878 177.584 0.065 0.000 1.045 1000 A CA -0.505 51.555 52.037 0.038 0.000 0.672 1000 A CB 2.025 21.080 19.000 0.092 0.000 1.283 1000 A HN 0.733 nan 8.150 nan 0.000 0.419 1001 E N -0.237 119.990 120.200 0.046 0.000 2.423 1001 E HA 0.708 5.055 4.350 -0.004 0.000 0.280 1001 E C -1.830 174.758 176.600 -0.020 0.000 1.030 1001 E CA -0.854 55.576 56.400 0.050 0.000 0.812 1001 E CB 1.431 31.076 29.700 -0.091 0.000 1.313 1001 E HN 0.458 nan 8.360 nan 0.000 0.456 1002 I N 0.768 121.320 120.570 -0.029 0.000 2.478 1002 I HA 0.699 4.866 4.170 -0.004 0.000 0.287 1002 I C 0.043 176.022 176.117 -0.231 0.000 1.042 1002 I CA 0.042 61.207 61.300 -0.225 0.000 1.067 1002 I CB 1.963 39.708 38.000 -0.425 0.000 1.233 1002 I HN 0.782 nan 8.210 nan 0.000 0.431 1003 G N 4.981 113.564 108.800 -0.362 0.000 2.749 1003 G HA2 0.510 4.467 3.960 -0.004 0.000 0.300 1003 G HA3 0.510 4.467 3.960 -0.004 0.000 0.300 1003 G C -2.684 172.039 174.900 -0.295 0.000 1.352 1003 G CA -0.949 43.939 45.100 -0.354 0.000 0.789 1003 G HN 0.249 nan 8.290 nan 0.000 0.509 1004 P HA -0.020 nan 4.420 nan 0.000 0.223 1004 P C 0.538 177.525 177.300 -0.521 0.000 1.144 1004 P CA 1.149 64.056 63.100 -0.321 0.000 0.783 1004 P CB 0.169 31.700 31.700 -0.282 0.000 0.771 1005 W N -1.045 120.173 121.300 -0.137 0.000 3.127 1005 W HA 0.402 5.060 4.660 -0.004 0.000 0.344 1005 W C 1.116 177.639 176.519 0.007 0.000 1.151 1005 W CA 0.653 57.975 57.345 -0.038 0.000 1.765 1005 W CB 0.690 30.099 29.460 -0.086 0.000 1.085 1005 W HN -0.017 nan 8.180 nan 0.000 0.596 1006 G N 1.077 109.919 108.800 0.071 0.000 2.384 1006 G HA2 -0.229 3.729 3.960 -0.004 0.000 0.204 1006 G HA3 -0.229 3.729 3.960 -0.004 0.000 0.204 1006 G C -0.486 174.418 174.900 0.006 0.000 1.237 1006 G CA -0.604 44.541 45.100 0.075 0.000 1.060 1006 G HN 0.138 nan 8.290 nan 0.000 0.514 1007 N N 0.535 119.297 118.700 0.103 0.000 2.317 1007 N HA 0.583 5.320 4.740 -0.004 0.000 0.245 1007 N C 1.644 177.171 175.510 0.029 0.000 1.294 1007 N CA 0.901 53.997 53.050 0.077 0.000 0.924 1007 N CB 0.410 39.009 38.487 0.187 0.000 1.186 1007 N HN 1.621 nan 8.380 nan 0.000 0.495 1008 A N -0.065 122.755 122.820 -0.000 0.000 1.978 1008 A HA -0.212 4.105 4.320 -0.004 0.000 0.220 1008 A C 2.101 179.709 177.584 0.040 0.000 1.170 1008 A CA 1.271 53.293 52.037 -0.025 0.000 0.636 1008 A CB -0.637 18.330 19.000 -0.055 0.000 0.810 1008 A HN 0.704 nan 8.150 nan 0.000 0.448 1009 R N -0.593 119.939 120.500 0.053 0.000 2.070 1009 R HA -0.107 4.230 4.340 -0.004 0.000 0.232 1009 R C 2.547 178.936 176.300 0.148 0.000 1.138 1009 R CA 2.025 58.169 56.100 0.075 0.000 0.936 1009 R CB -1.178 29.135 30.300 0.023 0.000 0.839 1009 R HN 0.720 nan 8.270 nan 0.000 0.429 1010 T N -0.245 114.418 114.554 0.181 0.000 2.788 1010 T HA -0.145 4.203 4.350 -0.004 0.000 0.268 1010 T C 2.027 176.888 174.700 0.268 0.000 1.044 1010 T CA 0.865 63.159 62.100 0.322 0.000 1.139 1010 T CB -0.198 68.872 68.868 0.336 0.000 0.867 1010 T HN 0.067 nan 8.240 nan 0.000 0.454 1011 R N -0.051 120.541 120.500 0.154 0.000 2.096 1011 R HA -0.071 4.266 4.340 -0.004 0.000 0.235 1011 R C 2.222 178.493 176.300 -0.048 0.000 1.127 1011 R CA 1.416 57.535 56.100 0.032 0.000 0.968 1011 R CB -0.866 29.408 30.300 -0.044 0.000 0.861 1011 R HN 0.768 nan 8.270 nan 0.000 0.440 1012 W N 1.915 123.129 121.300 -0.144 0.000 2.378 1012 W HA -0.180 4.477 4.660 -0.004 0.000 0.313 1012 W C 1.486 177.866 176.519 -0.232 0.000 1.197 1012 W CA 1.284 58.529 57.345 -0.167 0.000 1.304 1012 W CB -0.203 29.177 29.460 -0.133 0.000 1.148 1012 W HN 0.161 nan 8.180 nan 0.000 0.494 1013 E N 0.317 120.340 120.200 -0.294 0.000 2.108 1013 E HA -0.353 3.995 4.350 -0.004 0.000 0.203 1013 E C 1.968 178.197 176.600 -0.618 0.000 1.022 1013 E CA 2.339 58.422 56.400 -0.529 0.000 0.823 1013 E CB -0.598 28.962 29.700 -0.233 0.000 0.744 1013 E HN 0.240 nan 8.360 nan 0.000 0.456 1014 M N 0.901 120.113 119.600 -0.647 0.000 2.099 1014 M HA -0.159 4.319 4.480 -0.004 0.000 0.262 1014 M C 2.038 177.962 176.300 -0.627 0.000 1.067 1014 M CA 1.684 56.495 55.300 -0.814 0.000 1.124 1014 M CB -0.130 31.760 32.600 -1.184 0.000 1.353 1014 M HN 0.007 nan 8.290 nan 0.000 0.410 1015 E N -0.940 118.916 120.200 -0.573 0.000 2.204 1015 E HA -0.157 4.190 4.350 -0.004 0.000 0.195 1015 E C 1.502 177.824 176.600 -0.463 0.000 0.990 1015 E CA 1.253 57.388 56.400 -0.442 0.000 0.821 1015 E CB 0.023 29.525 29.700 -0.330 0.000 0.750 1015 E HN 0.577 nan 8.360 nan 0.000 0.477 1016 A N -0.297 122.092 122.820 -0.720 0.000 1.944 1016 A HA 0.035 4.353 4.320 -0.004 0.000 0.209 1016 A C 1.525 179.018 177.584 -0.152 0.000 1.328 1016 A CA 0.333 51.996 52.037 -0.623 0.000 0.693 1016 A CB -0.389 17.887 19.000 -1.206 0.000 0.994 1016 A HN 0.291 nan 8.150 nan 0.000 0.485 1017 Y N -0.605 119.410 120.300 -0.475 0.000 2.448 1017 Y HA 0.323 4.871 4.550 -0.004 0.000 0.289 1017 Y C 2.071 177.797 175.900 -0.290 0.000 1.114 1017 Y CA 0.064 57.976 58.100 -0.314 0.000 1.235 1017 Y CB -0.549 37.761 38.460 -0.251 0.000 1.045 1017 Y HN 0.515 nan 8.280 nan 0.000 0.554 1018 G N 0.449 109.127 108.800 -0.203 0.000 2.157 1018 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.248 1018 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.248 1018 G C 0.227 174.957 174.900 -0.285 0.000 0.979 1018 G CA 0.461 45.409 45.100 -0.254 0.000 0.650 1018 G HN 0.484 nan 8.290 nan 0.000 0.529 1019 K N -1.157 119.060 120.400 -0.304 0.000 2.578 1019 K HA 0.681 4.998 4.320 -0.004 0.000 0.287 1019 K C -1.143 175.250 176.600 -0.345 0.000 1.010 1019 K CA -1.294 54.810 56.287 -0.306 0.000 0.889 1019 K CB 0.798 33.239 32.500 -0.097 0.000 1.514 1019 K HN 0.047 nan 8.250 nan 0.000 0.424 1020 F N 1.648 121.589 119.950 -0.014 0.000 2.375 1020 F HA 0.243 4.768 4.527 -0.004 0.000 0.333 1020 F C 1.151 176.965 175.800 0.022 0.000 1.104 1020 F CA -0.184 57.815 58.000 -0.002 0.000 1.149 1020 F CB 1.786 40.812 39.000 0.043 0.000 1.190 1020 F HN 0.670 nan 8.300 nan 0.000 0.533 1021 S N 3.149 118.987 115.700 0.230 0.000 2.645 1021 S HA 0.181 4.648 4.470 -0.004 0.000 0.266 1021 S C 1.010 175.710 174.600 0.166 0.000 1.258 1021 S CA -0.925 57.373 58.200 0.163 0.000 0.990 1021 S CB 1.050 64.323 63.200 0.121 0.000 0.967 1021 S HN 0.711 nan 8.310 nan 0.000 0.556 1022 L N 0.644 121.948 121.223 0.134 0.000 2.043 1022 L HA -0.136 4.202 4.340 -0.004 0.000 0.212 1022 L C 2.277 179.217 176.870 0.116 0.000 1.075 1022 L CA 2.186 57.099 54.840 0.123 0.000 0.752 1022 L CB -1.607 40.524 42.059 0.120 0.000 0.891 1022 L HN 0.811 nan 8.230 nan 0.000 0.432 1023 E N -0.430 119.843 120.200 0.121 0.000 2.051 1023 E HA -0.137 4.210 4.350 -0.004 0.000 0.192 1023 E C 2.083 178.739 176.600 0.093 0.000 0.991 1023 E CA 1.259 57.730 56.400 0.117 0.000 0.799 1023 E CB -0.717 29.049 29.700 0.111 0.000 0.748 1023 E HN 0.568 nan 8.360 nan 0.000 0.449 1024 G N 0.047 108.914 108.800 0.111 0.000 2.433 1024 G HA2 -0.307 3.651 3.960 -0.004 0.000 0.216 1024 G HA3 -0.307 3.651 3.960 -0.004 0.000 0.216 1024 G C 1.821 176.651 174.900 -0.116 0.000 1.186 1024 G CA 1.070 46.228 45.100 0.097 0.000 0.779 1024 G HN 0.359 nan 8.290 nan 0.000 0.543 1025 C N -0.189 119.073 119.300 -0.064 0.000 2.398 1025 C HA -0.055 4.403 4.460 -0.004 0.000 0.276 1025 C C 3.109 178.027 174.990 -0.120 0.000 1.222 1025 C CA 0.890 59.831 59.018 -0.127 0.000 1.746 1025 C CB -0.999 26.757 27.740 0.026 0.000 2.039 1025 C HN 0.288 nan 8.230 nan 0.000 0.470 1026 V N 0.616 120.496 119.914 -0.056 0.000 2.332 1026 V HA -0.240 3.878 4.120 -0.004 0.000 0.248 1026 V C 2.425 178.455 176.094 -0.107 0.000 1.055 1026 V CA 1.996 64.226 62.300 -0.116 0.000 1.038 1026 V CB -0.702 31.127 31.823 0.009 0.000 0.651 1026 V HN 0.611 nan 8.190 nan 0.000 0.450 1027 E N -0.686 119.501 120.200 -0.022 0.000 2.031 1027 E HA -0.227 4.120 4.350 -0.004 0.000 0.193 1027 E C 2.351 178.995 176.600 0.073 0.000 0.994 1027 E CA 1.469 57.896 56.400 0.046 0.000 0.800 1027 E CB -0.209 29.539 29.700 0.080 0.000 0.752 1027 E HN 0.395 nan 8.360 nan 0.000 0.447 1028 M N 0.418 119.972 119.600 -0.077 0.000 2.065 1028 M HA -0.168 4.310 4.480 -0.004 0.000 0.259 1028 M C 2.543 178.776 176.300 -0.112 0.000 1.069 1028 M CA 1.470 56.705 55.300 -0.109 0.000 1.110 1028 M CB -1.329 31.062 32.600 -0.349 0.000 1.328 1028 M HN 0.095 nan 8.290 nan 0.000 0.405 1029 A N -1.034 121.665 122.820 -0.202 0.000 1.986 1029 A HA -0.241 4.076 4.320 -0.004 0.000 0.220 1029 A C 2.056 179.427 177.584 -0.356 0.000 1.171 1029 A CA 1.822 53.646 52.037 -0.354 0.000 0.640 1029 A CB -1.282 17.435 19.000 -0.472 0.000 0.811 1029 A HN 0.734 nan 8.150 nan 0.000 0.451 1030 W N 1.030 122.069 121.300 -0.435 0.000 2.378 1030 W HA -0.197 4.461 4.660 -0.004 0.000 0.313 1030 W C 2.353 178.687 176.519 -0.308 0.000 1.197 1030 W CA 2.132 59.231 57.345 -0.409 0.000 1.304 1030 W CB -0.259 29.000 29.460 -0.334 0.000 1.148 1030 W HN 0.424 nan 8.180 nan 0.000 0.494 1031 M N -0.725 118.837 119.600 -0.065 0.000 2.394 1031 M HA 0.005 4.482 4.480 -0.004 0.000 0.264 1031 M C 1.740 177.870 176.300 -0.283 0.000 1.073 1031 M CA 1.645 56.758 55.300 -0.311 0.000 1.111 1031 M CB -0.679 32.109 32.600 0.313 0.000 1.401 1031 M HN 0.053 nan 8.290 nan 0.000 0.448 1032 M N 0.800 120.287 119.600 -0.189 0.000 2.558 1032 M HA 0.176 4.654 4.480 -0.004 0.000 0.255 1032 M C 0.940 177.070 176.300 -0.283 0.000 1.113 1032 M CA 1.055 56.264 55.300 -0.152 0.000 1.097 1032 M CB 0.225 32.769 32.600 -0.094 0.000 1.426 1032 M HN 0.747 nan 8.290 nan 0.000 0.488 1033 G N 0.570 109.121 108.800 -0.416 0.000 2.132 1033 G HA2 -0.223 3.734 3.960 -0.004 0.000 0.228 1033 G HA3 -0.223 3.734 3.960 -0.004 0.000 0.228 1033 G C 0.442 175.098 174.900 -0.406 0.000 1.000 1033 G CA -0.050 44.790 45.100 -0.433 0.000 0.693 1033 G HN 0.464 nan 8.290 nan 0.000 0.515 1034 L N -0.376 120.551 121.223 -0.494 0.000 2.375 1034 L HA 0.440 4.777 4.340 -0.004 0.000 0.215 1034 L C 1.512 178.031 176.870 -0.585 0.000 1.108 1034 L CA 0.817 55.295 54.840 -0.603 0.000 0.830 1034 L CB -0.172 41.339 42.059 -0.914 0.000 0.959 1034 L HN 0.592 nan 8.230 nan 0.000 0.457 1035 I N -1.548 118.703 120.570 -0.531 0.000 2.802 1035 I HA 0.551 4.718 4.170 -0.004 0.000 0.298 1035 I C -1.234 174.753 176.117 -0.217 0.000 1.176 1035 I CA -0.816 60.259 61.300 -0.375 0.000 1.025 1035 I CB 2.396 40.056 38.000 -0.568 0.000 1.243 1035 I HN -0.040 nan 8.210 nan 0.000 0.424 1036 K N 2.735 123.181 120.400 0.076 0.000 2.508 1036 K HA 0.420 4.737 4.320 -0.004 0.000 0.260 1036 K C -1.476 175.429 176.600 0.508 0.000 0.949 1036 K CA -0.837 55.607 56.287 0.262 0.000 0.834 1036 K CB 2.012 34.553 32.500 0.069 0.000 1.365 1036 K HN 0.682 nan 8.250 nan 0.000 0.437 1037 N N 1.552 120.542 118.700 0.484 0.000 2.508 1037 N HA 0.005 4.742 4.740 -0.004 0.000 0.264 1037 N C -1.172 174.465 175.510 0.213 0.000 1.216 1037 N CA 0.187 53.375 53.050 0.230 0.000 0.943 1037 N CB 0.578 39.052 38.487 -0.021 0.000 1.113 1037 N HN 0.657 nan 8.380 nan 0.000 0.447 1038 H N 2.414 121.523 119.070 0.065 0.000 2.806 1038 H HA 0.225 4.779 4.556 -0.004 0.000 0.367 1038 H C -1.340 173.985 175.328 -0.006 0.000 1.136 1038 H CA -0.488 55.607 56.048 0.079 0.000 1.178 1038 H CB 1.125 31.006 29.762 0.199 0.000 1.718 1038 H HN 0.732 nan 8.280 nan 0.000 0.540 1039 N N 3.380 121.774 118.700 -0.510 0.000 2.711 1039 N HA 0.325 5.063 4.740 -0.004 0.000 0.263 1039 N C -1.067 174.228 175.510 -0.359 0.000 1.667 1039 N CA -0.186 52.666 53.050 -0.332 0.000 0.785 1039 N CB 0.700 39.058 38.487 -0.216 0.000 1.231 1039 N HN 0.790 nan 8.380 nan 0.000 0.503 1040 G N 0.988 109.574 108.800 -0.356 0.000 2.561 1040 G HA2 0.358 4.316 3.960 -0.004 0.000 0.310 1040 G HA3 0.358 4.316 3.960 -0.004 0.000 0.310 1040 G C -3.279 171.736 174.900 0.192 0.000 1.292 1040 G CA -0.647 44.386 45.100 -0.113 0.000 0.811 1040 G HN -0.019 nan 8.290 nan 0.000 0.482 1041 P HA 0.370 nan 4.420 nan 0.000 0.276 1041 P C -0.519 176.920 177.300 0.232 0.000 1.243 1041 P CA -0.066 63.142 63.100 0.180 0.000 0.768 1041 P CB 0.799 32.558 31.700 0.099 0.000 0.856 1042 L N 5.244 126.566 121.223 0.165 0.000 2.295 1042 L HA 0.265 4.603 4.340 -0.004 0.000 0.281 1042 L C 0.287 177.151 176.870 -0.010 0.000 1.018 1042 L CA -0.647 54.203 54.840 0.016 0.000 0.841 1042 L CB 0.683 42.676 42.059 -0.111 0.000 1.218 1042 L HN 0.475 nan 8.230 nan 0.000 0.424 1043 K N 3.211 123.604 120.400 -0.012 0.000 3.239 1043 K HA -0.223 4.095 4.320 -0.004 0.000 0.270 1043 K C 0.903 177.506 176.600 0.007 0.000 1.049 1043 K CA 0.748 57.027 56.287 -0.012 0.000 0.769 1043 K CB -1.407 31.073 32.500 -0.034 0.000 1.305 1043 K HN 1.149 nan 8.250 nan 0.000 0.469 1044 G N -0.282 108.532 108.800 0.023 0.000 3.444 1044 G HA2 -0.401 3.556 3.960 -0.004 0.000 0.222 1044 G HA3 -0.401 3.556 3.960 -0.004 0.000 0.222 1044 G C 0.070 174.994 174.900 0.039 0.000 1.358 1044 G CA 0.686 45.802 45.100 0.027 0.000 0.880 1044 G HN 0.385 nan 8.290 nan 0.000 0.555 1045 K N 2.396 122.820 120.400 0.040 0.000 2.270 1045 K HA 0.483 4.801 4.320 -0.004 0.000 0.276 1045 K C -2.435 174.220 176.600 0.093 0.000 1.023 1045 K CA -1.382 54.938 56.287 0.055 0.000 0.955 1045 K CB 0.948 33.476 32.500 0.046 0.000 0.975 1045 K HN 0.221 nan 8.250 nan 0.000 0.471 1046 P HA 0.127 nan 4.420 nan 0.000 0.274 1046 P C -1.483 175.952 177.300 0.226 0.000 1.246 1046 P CA -0.279 62.901 63.100 0.133 0.000 0.795 1046 P CB 0.357 32.102 31.700 0.074 0.000 1.006 1047 Y N -0.586 119.761 120.300 0.079 0.000 2.573 1047 Y HA 0.454 5.001 4.550 -0.004 0.000 0.328 1047 Y C -1.685 174.274 175.900 0.099 0.000 1.170 1047 Y CA -0.435 57.719 58.100 0.090 0.000 1.078 1047 Y CB 1.238 39.767 38.460 0.114 0.000 1.341 1047 Y HN 0.513 nan 8.280 nan 0.000 0.459 1048 S N 3.602 118.792 115.700 -0.850 0.000 2.548 1048 S HA 0.976 5.444 4.470 -0.004 0.000 0.276 1048 S C -0.402 173.631 174.600 -0.945 0.000 1.129 1048 S CA 0.123 57.919 58.200 -0.673 0.000 0.931 1048 S CB 1.648 64.634 63.200 -0.357 0.000 1.068 1048 S HN 2.184 nan 8.310 nan 0.000 0.480 1049 G N 1.808 110.290 108.800 -0.529 0.000 2.280 1049 G HA2 0.013 3.970 3.960 -0.004 0.000 0.277 1049 G HA3 0.013 3.970 3.960 -0.004 0.000 0.277 1049 G C -1.417 173.476 174.900 -0.011 0.000 1.288 1049 G CA -0.790 44.065 45.100 -0.408 0.000 1.075 1049 G HN 0.841 nan 8.290 nan 0.000 0.480 1050 W N -0.109 121.298 121.300 0.179 0.000 2.216 1050 W HA 0.516 5.173 4.660 -0.004 0.000 0.326 1050 W C 0.333 177.004 176.519 0.254 0.000 1.319 1050 W CA -0.616 56.845 57.345 0.194 0.000 1.213 1050 W CB 1.288 30.840 29.460 0.153 0.000 1.171 1050 W HN 0.309 nan 8.180 nan 0.000 0.557 1051 V N 3.202 123.415 119.914 0.497 0.000 2.789 1051 V HA 0.036 4.153 4.120 -0.004 0.000 0.311 1051 V C -0.416 175.764 176.094 0.142 0.000 1.073 1051 V CA -0.905 61.547 62.300 0.254 0.000 0.921 1051 V CB 1.961 33.893 31.823 0.181 0.000 1.009 1051 V HN 0.364 nan 8.190 nan 0.000 0.426 1052 D N 3.053 123.509 120.400 0.093 0.000 2.472 1052 D HA 0.208 4.846 4.640 -0.004 0.000 0.248 1052 D C 1.051 177.345 176.300 -0.010 0.000 1.174 1052 D CA 0.789 54.827 54.000 0.063 0.000 0.883 1052 D CB 1.814 42.671 40.800 0.095 0.000 1.149 1052 D HN 0.665 nan 8.370 nan 0.000 0.488 1053 A N 5.012 127.784 122.820 -0.080 0.000 1.933 1053 A HA -0.198 4.120 4.320 -0.004 0.000 0.218 1053 A C 2.012 179.551 177.584 -0.076 0.000 1.175 1053 A CA 1.430 53.408 52.037 -0.099 0.000 0.628 1053 A CB -0.228 18.665 19.000 -0.179 0.000 0.814 1053 A HN 0.655 nan 8.150 nan 0.000 0.444 1054 K N -1.177 119.183 120.400 -0.067 0.000 1.980 1054 K HA -0.030 4.287 4.320 -0.004 0.000 0.208 1054 K C 0.989 177.568 176.600 -0.035 0.000 1.043 1054 K CA 1.290 57.547 56.287 -0.050 0.000 0.938 1054 K CB -0.312 32.165 32.500 -0.039 0.000 0.724 1054 K HN 0.372 nan 8.250 nan 0.000 0.438 1055 T N -0.856 113.684 114.554 -0.023 0.000 2.845 1055 T HA 0.232 4.580 4.350 -0.004 0.000 0.288 1055 T C 1.126 175.802 174.700 -0.041 0.000 0.980 1055 T CA -0.462 61.621 62.100 -0.030 0.000 1.071 1055 T CB 1.493 70.346 68.868 -0.025 0.000 0.941 1055 T HN 0.358 nan 8.240 nan 0.000 0.487 1056 G N 3.360 112.126 108.800 -0.058 0.000 2.527 1056 G HA2 -0.073 3.885 3.960 -0.004 0.000 0.219 1056 G HA3 -0.073 3.885 3.960 -0.004 0.000 0.219 1056 G C 0.575 175.400 174.900 -0.125 0.000 1.117 1056 G CA 0.250 45.295 45.100 -0.091 0.000 0.759 1056 G HN 0.721 nan 8.290 nan 0.000 0.556 1057 E N 0.994 121.137 120.200 -0.095 0.000 2.459 1057 E HA 0.084 4.432 4.350 -0.004 0.000 0.264 1057 E C -2.216 174.315 176.600 -0.115 0.000 1.055 1057 E CA -1.385 54.947 56.400 -0.113 0.000 0.957 1057 E CB 0.212 29.871 29.700 -0.069 0.000 0.952 1057 E HN 0.143 nan 8.360 nan 0.000 0.448 1058 P HA 0.194 nan 4.420 nan 0.000 0.281 1058 P C -0.701 176.606 177.300 0.012 0.000 1.249 1058 P CA -0.378 62.611 63.100 -0.185 0.000 0.810 1058 P CB 0.829 32.181 31.700 -0.581 0.000 1.008 1059 V N 2.168 122.186 119.914 0.174 0.000 2.709 1059 V HA 0.300 4.418 4.120 -0.004 0.000 0.308 1059 V C -0.384 175.874 176.094 0.274 0.000 1.062 1059 V CA -0.588 61.832 62.300 0.201 0.000 0.901 1059 V CB 2.143 34.111 31.823 0.241 0.000 1.003 1059 V HN 0.464 nan 8.190 nan 0.000 0.425 1060 D N 2.465 122.985 120.400 0.199 0.000 2.210 1060 D HA 0.238 4.876 4.640 -0.004 0.000 0.249 1060 D C 0.432 176.862 176.300 0.217 0.000 1.062 1060 D CA -0.242 53.883 54.000 0.208 0.000 0.891 1060 D CB 2.058 42.941 40.800 0.139 0.000 1.186 1060 D HN 0.573 nan 8.370 nan 0.000 0.432 1061 D N 0.975 121.528 120.400 0.255 0.000 2.149 1061 D HA -0.232 4.405 4.640 -0.004 0.000 0.194 1061 D C 1.944 178.340 176.300 0.160 0.000 1.001 1061 D CA 1.615 55.761 54.000 0.243 0.000 0.849 1061 D CB 0.058 41.004 40.800 0.244 0.000 0.939 1061 D HN 0.534 nan 8.370 nan 0.000 0.449 1062 K N 0.351 120.828 120.400 0.130 0.000 2.147 1062 K HA -0.144 4.173 4.320 -0.004 0.000 0.205 1062 K C 0.953 177.600 176.600 0.077 0.000 1.049 1062 K CA 1.482 57.826 56.287 0.096 0.000 0.936 1062 K CB 0.005 32.553 32.500 0.079 0.000 0.722 1062 K HN 0.076 nan 8.250 nan 0.000 0.446 1063 D N 1.153 121.598 120.400 0.075 0.000 2.213 1063 D HA -0.046 4.591 4.640 -0.004 0.000 0.205 1063 D C 2.127 178.438 176.300 0.019 0.000 0.961 1063 D CA 0.575 54.594 54.000 0.033 0.000 0.853 1063 D CB -0.166 40.646 40.800 0.019 0.000 0.967 1063 D HN 0.022 nan 8.370 nan 0.000 0.496 1064 V N 1.618 121.585 119.914 0.089 0.000 2.236 1064 V HA -0.371 3.747 4.120 -0.004 0.000 0.255 1064 V C 2.540 178.703 176.094 0.115 0.000 1.068 1064 V CA 2.173 64.569 62.300 0.160 0.000 1.044 1064 V CB -0.444 31.467 31.823 0.147 0.000 0.653 1064 V HN 0.164 nan 8.190 nan 0.000 0.448 1065 K N -0.718 119.738 120.400 0.092 0.000 2.074 1065 K HA -0.226 4.092 4.320 -0.004 0.000 0.209 1065 K C 2.143 178.773 176.600 0.050 0.000 1.048 1065 K CA 1.765 58.106 56.287 0.089 0.000 0.926 1065 K CB -0.405 32.148 32.500 0.090 0.000 0.713 1065 K HN 0.522 nan 8.250 nan 0.000 0.444 1066 A N 0.913 123.736 122.820 0.004 0.000 1.854 1066 A HA -0.149 4.169 4.320 -0.004 0.000 0.214 1066 A C 1.956 179.480 177.584 -0.099 0.000 1.192 1066 A CA 1.487 53.508 52.037 -0.027 0.000 0.611 1066 A CB -0.384 18.598 19.000 -0.029 0.000 0.832 1066 A HN 0.208 nan 8.150 nan 0.000 0.442 1067 K N -1.882 118.369 120.400 -0.248 0.000 2.063 1067 K HA -0.162 4.155 4.320 -0.004 0.000 0.208 1067 K C 1.434 177.732 176.600 -0.502 0.000 1.048 1067 K CA 1.950 57.917 56.287 -0.533 0.000 0.928 1067 K CB -0.205 31.657 32.500 -1.062 0.000 0.713 1067 K HN 0.689 nan 8.250 nan 0.000 0.442 1068 Y N -0.729 119.580 120.300 0.016 0.000 2.467 1068 Y HA 0.136 4.684 4.550 -0.004 0.000 0.259 1068 Y C 1.924 177.880 175.900 0.094 0.000 1.084 1068 Y CA -0.342 57.769 58.100 0.019 0.000 1.275 1068 Y CB -0.032 38.388 38.460 -0.067 0.000 1.208 1068 Y HN 0.051 nan 8.280 nan 0.000 0.511 1069 E N 1.647 121.966 120.200 0.200 0.000 2.049 1069 E HA -0.330 4.018 4.350 -0.004 0.000 0.198 1069 E C 2.104 178.837 176.600 0.222 0.000 1.007 1069 E CA 1.990 58.513 56.400 0.205 0.000 0.809 1069 E CB 0.036 29.838 29.700 0.170 0.000 0.749 1069 E HN 0.390 nan 8.360 nan 0.000 0.450 1070 K N -0.307 120.200 120.400 0.178 0.000 2.020 1070 K HA -0.273 4.044 4.320 -0.004 0.000 0.212 1070 K C 2.165 178.879 176.600 0.189 0.000 1.050 1070 K CA 1.940 58.318 56.287 0.153 0.000 0.929 1070 K CB -0.547 32.020 32.500 0.111 0.000 0.714 1070 K HN 0.270 nan 8.250 nan 0.000 0.443 1071 Y N 1.247 121.623 120.300 0.127 0.000 2.070 1071 Y HA -0.239 4.309 4.550 -0.004 0.000 0.280 1071 Y C 1.951 177.959 175.900 0.179 0.000 1.148 1071 Y CA 2.163 60.370 58.100 0.178 0.000 1.125 1071 Y CB -0.132 38.461 38.460 0.221 0.000 0.975 1071 Y HN 0.044 nan 8.280 nan 0.000 0.492 1072 I N 0.335 121.227 120.570 0.537 0.000 2.185 1072 I HA -0.400 3.768 4.170 -0.004 0.000 0.246 1072 I C 2.266 178.554 176.117 0.285 0.000 1.088 1072 I CA 1.721 63.254 61.300 0.389 0.000 1.347 1072 I CB -0.705 37.426 38.000 0.218 0.000 1.041 1072 I HN 0.380 nan 8.210 nan 0.000 0.415 1073 L N 0.029 121.419 121.223 0.277 0.000 2.109 1073 L HA -0.165 4.172 4.340 -0.004 0.000 0.207 1073 L C 2.588 179.513 176.870 0.091 0.000 1.086 1073 L CA 1.225 56.234 54.840 0.283 0.000 0.760 1073 L CB -0.635 41.592 42.059 0.280 0.000 0.910 1073 L HN 0.314 nan 8.230 nan 0.000 0.437 1074 E N -0.358 119.818 120.200 -0.039 0.000 2.152 1074 E HA -0.177 4.170 4.350 -0.004 0.000 0.192 1074 E C 1.231 177.566 176.600 -0.442 0.000 0.983 1074 E CA 0.781 57.021 56.400 -0.266 0.000 0.818 1074 E CB 0.240 29.695 29.700 -0.409 0.000 0.758 1074 E HN 0.545 nan 8.360 nan 0.000 0.467 1075 H N -0.245 118.721 119.070 -0.174 0.000 2.507 1075 H HA 0.217 4.770 4.556 -0.004 0.000 0.294 1075 H C -0.176 175.087 175.328 -0.109 0.000 1.064 1075 H CA 0.268 56.214 56.048 -0.170 0.000 1.138 1075 H CB 0.399 30.002 29.762 -0.265 0.000 1.515 1075 H HN 0.039 nan 8.280 nan 0.000 0.547 1076 S N -1.414 114.215 115.700 -0.118 0.000 2.651 1076 S HA 0.732 5.200 4.470 -0.004 0.000 0.279 1076 S C 0.454 174.606 174.600 -0.747 0.000 1.148 1076 S CA -0.341 57.639 58.200 -0.367 0.000 0.837 1076 S CB 3.235 66.230 63.200 -0.341 0.000 1.138 1076 S HN 0.481 nan 8.310 nan 0.000 0.478 1077 G N 0.348 108.455 108.800 -1.155 0.000 2.548 1077 G HA2 -0.075 3.883 3.960 -0.004 0.000 0.208 1077 G HA3 -0.075 3.883 3.960 -0.004 0.000 0.208 1077 G C -0.793 173.852 174.900 -0.426 0.000 1.308 1077 G CA -0.530 43.851 45.100 -1.197 0.000 0.924 1077 G HN 1.081 nan 8.290 nan 0.000 0.540 1078 I N 2.440 122.920 120.570 -0.151 0.000 2.505 1078 I HA 0.383 4.551 4.170 -0.004 0.000 0.287 1078 I C 1.189 177.265 176.117 -0.067 0.000 1.104 1078 I CA 0.338 61.598 61.300 -0.067 0.000 1.387 1078 I CB 0.087 38.097 38.000 0.017 0.000 1.404 1078 I HN 0.717 nan 8.210 nan 0.000 0.528 1079 R N 5.302 125.758 120.500 -0.074 0.000 2.795 1079 R HA 0.585 4.923 4.340 -0.004 0.000 0.268 1079 R C -1.298 174.994 176.300 -0.013 0.000 1.041 1079 R CA -1.176 54.899 56.100 -0.042 0.000 0.927 1079 R CB 1.030 31.292 30.300 -0.064 0.000 1.235 1079 R HN 0.281 nan 8.270 nan 0.000 0.463 1080 L N 2.065 123.302 121.223 0.023 0.000 2.499 1080 L HA 0.141 4.479 4.340 -0.004 0.000 0.273 1080 L C 0.511 177.410 176.870 0.048 0.000 1.195 1080 L CA -0.062 54.805 54.840 0.045 0.000 0.882 1080 L CB 0.197 42.284 42.059 0.045 0.000 1.133 1080 L HN 0.426 nan 8.230 nan 0.000 0.483 1081 I N 3.898 124.496 120.570 0.046 0.000 2.741 1081 I HA -0.079 4.088 4.170 -0.004 0.000 0.288 1081 I C 0.418 176.641 176.117 0.176 0.000 1.192 1081 I CA 0.554 61.916 61.300 0.105 0.000 1.426 1081 I CB -0.034 38.020 38.000 0.090 0.000 1.367 1081 I HN 0.613 nan 8.210 nan 0.000 0.563 1082 E N 8.346 128.731 120.200 0.308 0.000 2.073 1082 E HA 0.213 4.560 4.350 -0.004 0.000 0.269 1082 E C -1.898 174.930 176.600 0.381 0.000 0.917 1082 E CA -1.706 54.852 56.400 0.262 0.000 0.757 1082 E CB 1.380 31.201 29.700 0.201 0.000 1.111 1082 E HN 0.389 nan 8.360 nan 0.000 0.410 1083 P HA -0.207 nan 4.420 nan 0.000 0.216 1083 P C 0.622 178.083 177.300 0.269 0.000 1.150 1083 P CA 1.177 64.465 63.100 0.313 0.000 0.837 1083 P CB 0.333 32.129 31.700 0.161 0.000 0.786 1084 E N -0.061 120.235 120.200 0.160 0.000 2.130 1084 E HA -0.158 4.190 4.350 -0.004 0.000 0.196 1084 E C 1.734 178.359 176.600 0.042 0.000 0.998 1084 E CA 0.971 57.422 56.400 0.086 0.000 0.806 1084 E CB -1.340 28.388 29.700 0.046 0.000 0.738 1084 E HN 0.276 nan 8.360 nan 0.000 0.459 1085 L N -0.592 120.633 121.223 0.004 0.000 2.622 1085 L HA 0.034 4.372 4.340 -0.004 0.000 0.233 1085 L C 0.300 176.764 176.870 -0.677 0.000 1.156 1085 L CA 0.417 55.069 54.840 -0.312 0.000 0.866 1085 L CB -0.019 41.796 42.059 -0.408 0.000 0.980 1085 L HN 0.098 nan 8.230 nan 0.000 0.448 1086 F N -1.174 118.886 119.950 0.183 0.000 2.608 1086 F HA 0.317 4.841 4.527 -0.004 0.000 0.383 1086 F C 1.313 177.208 175.800 0.157 0.000 1.371 1086 F CA -0.508 57.611 58.000 0.198 0.000 1.123 1086 F CB 0.378 39.562 39.000 0.307 0.000 1.207 1086 F HN -0.066 nan 8.300 nan 0.000 0.512 1087 G N 0.683 109.602 108.800 0.197 0.000 2.390 1087 G HA2 -0.001 3.957 3.960 -0.004 0.000 0.299 1087 G HA3 -0.001 3.957 3.960 -0.004 0.000 0.299 1087 G C 1.247 176.249 174.900 0.169 0.000 1.002 1087 G CA 0.679 45.866 45.100 0.144 0.000 0.979 1087 G HN 1.479 nan 8.290 nan 0.000 0.513 1088 G N -2.092 106.831 108.800 0.204 0.000 2.176 1088 G HA2 -0.127 3.830 3.960 -0.004 0.000 0.232 1088 G HA3 -0.127 3.830 3.960 -0.004 0.000 0.232 1088 G C 0.459 175.486 174.900 0.211 0.000 0.986 1088 G CA 0.442 45.644 45.100 0.170 0.000 0.643 1088 G HN 1.998 nan 8.290 nan 0.000 0.522 1089 Y N 2.261 122.659 120.300 0.164 0.000 2.717 1089 Y HA 0.433 4.981 4.550 -0.004 0.000 0.330 1089 Y C -0.074 175.903 175.900 0.129 0.000 1.217 1089 Y CA 0.168 58.343 58.100 0.125 0.000 1.506 1089 Y CB 0.794 39.321 38.460 0.111 0.000 1.268 1089 Y HN 0.168 nan 8.280 nan 0.000 0.561 1090 D N 8.138 128.247 120.400 -0.486 0.000 2.478 1090 D HA 0.254 4.892 4.640 -0.004 0.000 0.240 1090 D C -2.468 173.500 176.300 -0.552 0.000 1.364 1090 D CA -1.979 51.752 54.000 -0.448 0.000 0.987 1090 D CB 2.105 42.817 40.800 -0.147 0.000 1.328 1090 D HN 0.254 nan 8.370 nan 0.000 0.584 1091 P HA -0.046 nan 4.420 nan 0.000 0.223 1091 P C 0.887 178.198 177.300 0.019 0.000 1.144 1091 P CA 0.647 63.641 63.100 -0.176 0.000 0.783 1091 P CB 0.363 32.069 31.700 0.010 0.000 0.771 1092 N N -0.185 118.479 118.700 -0.059 0.000 2.463 1092 N HA -0.017 4.721 4.740 -0.004 0.000 0.181 1092 N C 0.456 175.966 175.510 -0.000 0.000 1.078 1092 N CA 0.520 53.563 53.050 -0.013 0.000 0.902 1092 N CB 0.093 38.556 38.487 -0.040 0.000 0.970 1092 N HN 0.336 nan 8.380 nan 0.000 0.451 1093 R N 0.019 120.509 120.500 -0.018 0.000 2.734 1093 R HA 0.295 4.633 4.340 -0.004 0.000 0.268 1093 R C -0.989 175.315 176.300 0.007 0.000 1.785 1093 R CA -0.698 55.402 56.100 0.000 0.000 1.461 1093 R CB 0.300 30.594 30.300 -0.009 0.000 1.308 1093 R HN -0.263 nan 8.270 nan 0.000 0.586 1094 K N 2.415 122.837 120.400 0.037 0.000 2.315 1094 K HA 0.025 4.342 4.320 -0.004 0.000 0.291 1094 K C -0.255 176.329 176.600 -0.027 0.000 1.074 1094 K CA -0.088 56.213 56.287 0.024 0.000 0.936 1094 K CB 0.824 33.327 32.500 0.006 0.000 1.049 1094 K HN 0.520 nan 8.250 nan 0.000 0.471 1095 Q N 5.177 124.965 119.800 -0.021 0.000 2.297 1095 Q HA 0.152 4.490 4.340 -0.004 0.000 0.267 1095 Q C -0.830 175.124 176.000 -0.076 0.000 1.006 1095 Q CA -0.069 55.714 55.803 -0.033 0.000 0.896 1095 Q CB 0.514 29.245 28.738 -0.011 0.000 1.186 1095 Q HN 0.614 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 0.621 4.959 4.340 -0.004 0.000 0.260 1096 L C -0.612 176.237 176.870 -0.035 0.000 1.025 1096 L CA -1.320 53.477 54.840 -0.071 0.000 0.836 1096 L CB 1.583 43.598 42.059 -0.074 0.000 1.395 1096 L HN 0.640 nan 8.230 nan 0.000 0.443 1097 L N 0.943 122.152 121.223 -0.024 0.000 2.386 1097 L HA 0.488 4.826 4.340 -0.004 0.000 0.271 1097 L C -0.810 176.062 176.870 0.003 0.000 0.993 1097 L CA -0.420 54.418 54.840 -0.003 0.000 0.819 1097 L CB 2.248 44.317 42.059 0.016 0.000 1.294 1097 L HN 0.547 nan 8.230 nan 0.000 0.414 1098 Q N 2.338 122.142 119.800 0.007 0.000 2.333 1098 Q HA 0.297 4.634 4.340 -0.004 0.000 0.267 1098 Q C -0.920 175.091 176.000 0.019 0.000 1.012 1098 Q CA -0.668 55.142 55.803 0.011 0.000 0.824 1098 Q CB 2.014 30.757 28.738 0.008 0.000 1.290 1098 Q HN 0.508 nan 8.270 nan 0.000 0.449 1099 E N 2.047 122.262 120.200 0.025 0.000 2.366 1099 E HA 0.140 4.487 4.350 -0.004 0.000 0.266 1099 E C -0.918 175.698 176.600 0.028 0.000 1.015 1099 E CA -0.006 56.414 56.400 0.033 0.000 0.906 1099 E CB 1.032 30.755 29.700 0.037 0.000 0.979 1099 E HN 0.298 nan 8.360 nan 0.000 0.443 1100 V N 3.660 123.591 119.914 0.030 0.000 2.628 1100 V HA 0.229 4.347 4.120 -0.004 0.000 0.306 1100 V C -0.038 176.075 176.094 0.031 0.000 1.045 1100 V CA -0.934 61.381 62.300 0.025 0.000 0.905 1100 V CB 2.038 33.871 31.823 0.017 0.000 0.997 1100 V HN 0.364 nan 8.190 nan 0.000 0.436 1101 V N 5.415 125.345 119.914 0.028 0.000 2.333 1101 V HA 0.362 4.480 4.120 -0.004 0.000 0.274 1101 V C 0.292 176.398 176.094 0.021 0.000 1.028 1101 V CA -0.371 61.947 62.300 0.030 0.000 0.851 1101 V CB 1.003 32.844 31.823 0.030 0.000 1.000 1101 V HN 0.659 nan 8.190 nan 0.000 0.456 1102 I N 4.224 124.805 120.570 0.018 0.000 2.845 1102 I HA -0.009 4.159 4.170 -0.004 0.000 0.296 1102 I C 0.910 177.032 176.117 0.008 0.000 1.216 1102 I CA 0.704 62.008 61.300 0.007 0.000 1.438 1102 I CB 0.219 38.217 38.000 -0.003 0.000 1.342 1102 I HN 0.673 nan 8.210 nan 0.000 0.577 1103 E N 6.471 126.674 120.200 0.006 0.000 2.830 1103 E HA 0.156 4.503 4.350 -0.004 0.000 0.225 1103 E C -0.649 175.954 176.600 0.004 0.000 1.109 1103 E CA -0.239 56.165 56.400 0.007 0.000 1.392 1103 E CB 0.418 30.122 29.700 0.008 0.000 1.349 1103 E HN 0.594 nan 8.360 nan 0.000 0.433 1104 Q N -0.863 118.938 119.800 0.001 0.000 2.900 1104 Q HA 0.233 4.571 4.340 -0.004 0.000 0.297 1104 Q C -1.646 174.351 176.000 -0.004 0.000 0.889 1104 Q CA -0.953 54.849 55.803 -0.001 0.000 0.777 1104 Q CB 0.549 29.285 28.738 -0.002 0.000 1.518 1104 Q HN -0.168 nan 8.270 nan 0.000 0.430 1105 D N 1.429 121.826 120.400 -0.005 0.000 2.304 1105 D HA 0.544 5.182 4.640 -0.004 0.000 0.247 1105 D C -0.263 176.032 176.300 -0.008 0.000 1.089 1105 D CA -0.128 53.866 54.000 -0.009 0.000 0.910 1105 D CB 1.009 41.806 40.800 -0.005 0.000 1.199 1105 D HN 0.515 nan 8.370 nan 0.000 0.426 1106 L N -1.363 119.855 121.223 -0.009 0.000 2.319 1106 L HA 0.706 5.044 4.340 -0.004 0.000 0.267 1106 L C 0.079 176.957 176.870 0.013 0.000 1.011 1106 L CA -1.135 53.706 54.840 0.000 0.000 0.818 1106 L CB 1.358 43.417 42.059 -0.000 0.000 1.316 1106 L HN -0.012 nan 8.230 nan 0.000 0.432 1107 E N 1.406 121.619 120.200 0.022 0.000 2.418 1107 E HA 0.247 4.595 4.350 -0.004 0.000 0.261 1107 E C -2.302 174.336 176.600 0.063 0.000 1.070 1107 E CA -0.971 55.446 56.400 0.028 0.000 0.931 1107 E CB 0.400 30.114 29.700 0.024 0.000 0.954 1107 E HN 0.523 nan 8.360 nan 0.000 0.439 1108 P HA 0.083 nan 4.420 nan 0.000 0.268 1108 P C -1.141 176.194 177.300 0.059 0.000 1.205 1108 P CA 0.303 63.378 63.100 -0.041 0.000 0.771 1108 P CB 0.237 31.910 31.700 -0.045 0.000 0.858 1109 F N -1.025 118.887 119.950 -0.064 0.000 2.579 1109 F HA 0.615 5.140 4.527 -0.004 0.000 0.324 1109 F C 0.119 175.909 175.800 -0.017 0.000 1.058 1109 F CA -1.399 56.573 58.000 -0.046 0.000 0.944 1109 F CB 1.207 40.166 39.000 -0.069 0.000 1.245 1109 F HN 0.152 nan 8.300 nan 0.000 0.477 1110 E N 0.851 121.143 120.200 0.152 0.000 2.349 1110 E HA 0.670 5.018 4.350 -0.004 0.000 0.262 1110 E C -0.761 175.949 176.600 0.183 0.000 1.088 1110 E CA -0.768 55.689 56.400 0.095 0.000 0.899 1110 E CB 1.606 31.363 29.700 0.095 0.000 1.044 1110 E HN 0.879 nan 8.360 nan 0.000 0.420 1111 A N 1.026 123.937 122.820 0.152 0.000 2.608 1111 A HA 0.404 4.722 4.320 -0.004 0.000 0.292 1111 A C -0.580 177.101 177.584 0.162 0.000 1.066 1111 A CA -0.762 51.395 52.037 0.200 0.000 0.676 1111 A CB 1.096 20.243 19.000 0.244 0.000 1.277 1111 A HN 0.595 nan 8.150 nan 0.000 0.413 1112 S N 0.516 116.293 115.700 0.127 0.000 2.584 1112 S HA 0.214 4.682 4.470 -0.004 0.000 0.270 1112 S C 1.082 175.687 174.600 0.008 0.000 1.346 1112 S CA 0.500 58.748 58.200 0.080 0.000 1.018 1112 S CB 0.905 64.133 63.200 0.046 0.000 0.899 1112 S HN 0.961 nan 8.310 nan 0.000 0.542 1113 K N 1.051 121.433 120.400 -0.031 0.000 2.044 1113 K HA -0.197 4.121 4.320 -0.004 0.000 0.210 1113 K C 1.986 178.390 176.600 -0.326 0.000 1.049 1113 K CA 1.854 57.926 56.287 -0.359 0.000 0.927 1113 K CB -0.275 32.115 32.500 -0.184 0.000 0.713 1113 K HN 0.783 nan 8.250 nan 0.000 0.443 1114 E N 0.444 120.554 120.200 -0.150 0.000 2.038 1114 E HA -0.249 4.099 4.350 -0.004 0.000 0.195 1114 E C 2.268 178.797 176.600 -0.117 0.000 1.000 1114 E CA 1.569 57.896 56.400 -0.122 0.000 0.803 1114 E CB -0.062 29.594 29.700 -0.073 0.000 0.750 1114 E HN 0.459 nan 8.360 nan 0.000 0.448 1115 Q N 0.099 119.859 119.800 -0.067 0.000 2.061 1115 Q HA -0.177 4.160 4.340 -0.004 0.000 0.204 1115 Q C 2.247 178.274 176.000 0.045 0.000 0.984 1115 Q CA 1.349 57.126 55.803 -0.043 0.000 0.846 1115 Q CB -0.243 28.552 28.738 0.096 0.000 0.902 1115 Q HN 0.232 nan 8.270 nan 0.000 0.421 1116 A N 1.623 124.482 122.820 0.066 0.000 1.869 1116 A HA -0.318 3.999 4.320 -0.004 0.000 0.218 1116 A C 1.877 179.464 177.584 0.006 0.000 1.203 1116 A CA 2.057 54.132 52.037 0.063 0.000 0.638 1116 A CB -0.769 18.110 19.000 -0.202 0.000 0.831 1116 A HN 0.422 nan 8.150 nan 0.000 0.450 1117 E N -0.517 119.595 120.200 -0.146 0.000 2.070 1117 E HA -0.262 4.085 4.350 -0.004 0.000 0.197 1117 E C 2.029 178.591 176.600 -0.063 0.000 1.004 1117 E CA 1.521 57.852 56.400 -0.115 0.000 0.805 1117 E CB -0.334 29.277 29.700 -0.149 0.000 0.744 1117 E HN 0.770 nan 8.360 nan 0.000 0.451 1118 E N 0.204 120.339 120.200 -0.109 0.000 2.065 1118 E HA -0.212 4.135 4.350 -0.004 0.000 0.201 1118 E C 1.930 178.463 176.600 -0.112 0.000 1.016 1118 E CA 1.388 57.691 56.400 -0.163 0.000 0.818 1118 E CB -0.288 29.243 29.700 -0.283 0.000 0.749 1118 E HN 0.242 nan 8.360 nan 0.000 0.453 1119 F N 0.750 120.715 119.950 0.024 0.000 2.134 1119 F HA -0.200 4.325 4.527 -0.004 0.000 0.299 1119 F C 2.527 178.403 175.800 0.126 0.000 1.097 1119 F CA 1.136 59.206 58.000 0.118 0.000 1.264 1119 F CB -0.020 39.044 39.000 0.106 0.000 1.001 1119 F HN -0.106 nan 8.300 nan 0.000 0.479 1120 K N 0.569 121.102 120.400 0.221 0.000 2.148 1120 K HA -0.142 4.175 4.320 -0.004 0.000 0.204 1120 K C 2.126 178.768 176.600 0.071 0.000 1.050 1120 K CA 0.884 57.239 56.287 0.112 0.000 0.942 1120 K CB -0.126 32.386 32.500 0.019 0.000 0.724 1120 K HN 0.014 nan 8.250 nan 0.000 0.446 1121 R N 0.307 120.826 120.500 0.032 0.000 2.073 1121 R HA -0.176 4.162 4.340 -0.004 0.000 0.234 1121 R C 2.008 178.297 176.300 -0.018 0.000 1.134 1121 R CA 1.988 58.084 56.100 -0.007 0.000 0.952 1121 R CB -0.188 30.090 30.300 -0.037 0.000 0.850 1121 R HN 0.192 nan 8.270 nan 0.000 0.433 1122 E N -0.628 119.550 120.200 -0.037 0.000 2.107 1122 E HA -0.168 4.180 4.350 -0.004 0.000 0.191 1122 E C 1.485 177.961 176.600 -0.207 0.000 0.982 1122 E CA 1.564 57.872 56.400 -0.154 0.000 0.809 1122 E CB 0.044 29.593 29.700 -0.252 0.000 0.756 1122 E HN 0.499 nan 8.360 nan 0.000 0.459 1123 H N -1.212 117.893 119.070 0.058 0.000 2.557 1123 H HA 0.244 4.798 4.556 -0.004 0.000 0.281 1123 H C 1.517 176.861 175.328 0.026 0.000 0.990 1123 H CA 0.740 56.819 56.048 0.051 0.000 1.278 1123 H CB 0.333 30.137 29.762 0.071 0.000 1.451 1123 H HN 0.292 nan 8.280 nan 0.000 0.516 1124 G N 2.307 111.183 108.800 0.127 0.000 2.602 1124 G HA2 -0.434 3.523 3.960 -0.004 0.000 0.310 1124 G HA3 -0.434 3.523 3.960 -0.004 0.000 0.310 1124 G C 0.988 175.920 174.900 0.053 0.000 1.183 1124 G CA 0.856 45.993 45.100 0.062 0.000 0.979 1124 G HN 0.367 nan 8.290 nan 0.000 0.545 1125 D N 0.789 121.215 120.400 0.045 0.000 2.191 1125 D HA -0.083 4.554 4.640 -0.004 0.000 0.195 1125 D C 2.157 178.478 176.300 0.035 0.000 1.003 1125 D CA 1.771 55.791 54.000 0.034 0.000 0.867 1125 D CB -0.128 40.693 40.800 0.034 0.000 0.926 1125 D HN 0.386 nan 8.370 nan 0.000 0.450 1126 K N -0.477 119.959 120.400 0.059 0.000 2.500 1126 K HA 0.251 4.568 4.320 -0.004 0.000 0.206 1126 K C -0.724 175.872 176.600 -0.006 0.000 1.034 1126 K CA -0.108 56.203 56.287 0.041 0.000 1.179 1126 K CB 0.957 33.502 32.500 0.075 0.000 0.884 1126 K HN -0.106 nan 8.250 nan 0.000 0.493 1127 V N 0.387 120.300 119.914 -0.002 0.000 2.932 1127 V HA 0.262 4.380 4.120 -0.004 0.000 0.307 1127 V C -1.062 174.979 176.094 -0.089 0.000 1.147 1127 V CA -1.035 61.228 62.300 -0.062 0.000 0.951 1127 V CB 2.535 34.331 31.823 -0.045 0.000 1.031 1127 V HN 0.101 nan 8.190 nan 0.000 0.426 1128 E N 4.635 124.754 120.200 -0.135 0.000 2.158 1128 E HA 0.687 5.034 4.350 -0.004 0.000 0.271 1128 E C -1.061 175.314 176.600 -0.375 0.000 0.911 1128 E CA -0.513 55.734 56.400 -0.254 0.000 0.767 1128 E CB 2.391 32.054 29.700 -0.061 0.000 1.120 1128 E HN 0.666 nan 8.360 nan 0.000 0.405 1129 I N -0.542 119.689 120.570 -0.566 0.000 2.545 1129 I HA 0.638 4.806 4.170 -0.004 0.000 0.292 1129 I C -1.075 174.681 176.117 -0.602 0.000 1.040 1129 I CA -0.989 60.086 61.300 -0.376 0.000 1.068 1129 I CB 1.132 39.096 38.000 -0.060 0.000 1.251 1129 I HN 0.282 nan 8.210 nan 0.000 0.424 1130 F N 1.673 121.654 119.950 0.052 0.000 2.599 1130 F HA 0.474 4.999 4.527 -0.004 0.000 0.311 1130 F C 0.345 175.817 175.800 -0.547 0.000 1.076 1130 F CA -0.763 57.157 58.000 -0.134 0.000 0.937 1130 F CB 1.695 40.624 39.000 -0.118 0.000 1.282 1130 F HN 0.505 nan 8.300 nan 0.000 0.460 1131 E N 1.481 121.301 120.200 -0.633 0.000 2.404 1131 E HA 0.232 4.579 4.350 -0.004 0.000 0.261 1131 E C -0.687 175.694 176.600 -0.366 0.000 1.074 1131 E CA -0.015 55.845 56.400 -0.901 0.000 0.917 1131 E CB 0.949 30.329 29.700 -0.532 0.000 0.965 1131 E HN 0.422 nan 8.360 nan 0.000 0.433 1132 I N 4.683 125.086 120.570 -0.278 0.000 2.287 1132 I HA 0.084 4.252 4.170 -0.004 0.000 0.290 1132 I C -1.702 174.354 176.117 -0.102 0.000 1.069 1132 I CA -1.924 59.299 61.300 -0.128 0.000 1.237 1132 I CB 1.072 39.032 38.000 -0.066 0.000 1.418 1132 I HN 0.279 nan 8.210 nan 0.000 0.481 1133 P HA -0.164 nan 4.420 nan 0.000 0.222 1133 P C 0.694 177.971 177.300 -0.039 0.000 1.142 1133 P CA 1.325 64.387 63.100 -0.063 0.000 0.788 1133 P CB 0.226 31.893 31.700 -0.054 0.000 0.767 1134 E N -1.501 118.679 120.200 -0.035 0.000 2.216 1134 E HA -0.001 4.346 4.350 -0.004 0.000 0.192 1134 E C 0.989 177.584 176.600 -0.008 0.000 0.973 1134 E CA 1.348 57.736 56.400 -0.019 0.000 0.851 1134 E CB -0.282 29.407 29.700 -0.019 0.000 0.804 1134 E HN 0.284 nan 8.360 nan 0.000 0.477 1135 T N -2.946 111.605 114.554 -0.006 0.000 3.231 1135 T HA 0.386 4.734 4.350 -0.004 0.000 0.292 1135 T C 1.357 176.074 174.700 0.028 0.000 1.001 1135 T CA -0.023 62.084 62.100 0.012 0.000 0.920 1135 T CB 0.846 69.724 68.868 0.017 0.000 1.140 1135 T HN 0.244 nan 8.240 nan 0.000 0.525 1136 G N 1.708 110.520 108.800 0.019 0.000 2.200 1136 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.268 1136 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.268 1136 G C 0.276 175.254 174.900 0.130 0.000 0.986 1136 G CA 0.463 45.599 45.100 0.059 0.000 0.677 1136 G HN 0.590 nan 8.290 nan 0.000 0.532 1137 Q N -1.256 118.598 119.800 0.090 0.000 2.397 1137 Q HA 0.685 5.022 4.340 -0.004 0.000 0.193 1137 Q C 0.013 176.117 176.000 0.173 0.000 1.083 1137 Q CA -0.023 55.877 55.803 0.161 0.000 1.108 1137 Q CB 0.539 29.333 28.738 0.094 0.000 1.172 1137 Q HN 0.481 nan 8.270 nan 0.000 0.617 1138 Y N -1.355 118.953 120.300 0.014 0.000 2.669 1138 Y HA 0.387 4.934 4.550 -0.004 0.000 0.335 1138 Y C -0.233 175.642 175.900 -0.041 0.000 1.116 1138 Y CA -0.742 57.356 58.100 -0.002 0.000 1.081 1138 Y CB 2.347 40.799 38.460 -0.013 0.000 1.297 1138 Y HN 0.558 nan 8.280 nan 0.000 0.484 1139 T N -0.777 113.830 114.554 0.088 0.000 2.881 1139 T HA 0.708 5.056 4.350 -0.004 0.000 0.290 1139 T C -1.687 172.893 174.700 -0.199 0.000 1.000 1139 T CA -0.728 61.334 62.100 -0.063 0.000 0.978 1139 T CB 0.879 69.749 68.868 0.004 0.000 0.997 1139 T HN 0.338 nan 8.240 nan 0.000 0.443 1140 V N 3.684 123.262 119.914 -0.560 0.000 2.409 1140 V HA 0.650 4.767 4.120 -0.004 0.000 0.291 1140 V C 0.148 175.843 176.094 -0.666 0.000 1.020 1140 V CA -0.915 60.930 62.300 -0.758 0.000 0.848 1140 V CB 1.318 32.324 31.823 -1.363 0.000 0.990 1140 V HN 1.010 nan 8.190 nan 0.000 0.430 1141 R N 4.457 124.758 120.500 -0.332 0.000 2.409 1141 R HA 0.634 4.972 4.340 -0.004 0.000 0.313 1141 R C -1.605 174.602 176.300 -0.155 0.000 0.953 1141 R CA -0.764 55.227 56.100 -0.180 0.000 0.849 1141 R CB 1.262 31.522 30.300 -0.067 0.000 1.171 1141 R HN 0.605 nan 8.270 nan 0.000 0.458 1142 L N 4.300 125.443 121.223 -0.133 0.000 2.349 1142 L HA 0.421 4.759 4.340 -0.004 0.000 0.275 1142 L C 0.893 177.714 176.870 -0.082 0.000 1.115 1142 L CA 0.070 54.819 54.840 -0.151 0.000 0.820 1142 L CB 0.776 42.725 42.059 -0.182 0.000 1.135 1142 L HN 0.484 nan 8.230 nan 0.000 0.445 1143 R N 1.373 121.833 120.500 -0.066 0.000 2.608 1143 R HA 0.355 4.692 4.340 -0.004 0.000 0.255 1143 R C -0.159 176.131 176.300 -0.017 0.000 1.086 1143 R CA -1.168 54.915 56.100 -0.027 0.000 1.125 1143 R CB 0.788 31.082 30.300 -0.010 0.000 1.193 1143 R HN 0.470 nan 8.270 nan 0.000 0.553 1144 K N 0.218 120.616 120.400 -0.004 0.000 2.484 1144 K HA -0.004 4.314 4.320 -0.004 0.000 0.280 1144 K C 0.553 177.160 176.600 0.012 0.000 1.013 1144 K CA 1.300 57.589 56.287 0.004 0.000 1.029 1144 K CB 0.148 32.652 32.500 0.006 0.000 0.902 1144 K HN 0.777 nan 8.250 nan 0.000 0.481 1145 G N 1.968 110.778 108.800 0.018 0.000 2.238 1145 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.217 1145 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.217 1145 G C 0.181 175.109 174.900 0.047 0.000 0.996 1145 G CA -0.057 45.061 45.100 0.030 0.000 0.632 1145 G HN 0.962 nan 8.290 nan 0.000 0.503 1146 A N 0.271 123.113 122.820 0.036 0.000 2.492 1146 A HA 0.580 4.898 4.320 -0.004 0.000 0.236 1146 A C 0.633 178.266 177.584 0.083 0.000 1.078 1146 A CA 1.611 53.682 52.037 0.057 0.000 0.773 1146 A CB 0.185 19.146 19.000 -0.064 0.000 1.023 1146 A HN 0.956 nan 8.150 nan 0.000 0.504 1147 T N 2.067 116.722 114.554 0.168 0.000 2.792 1147 T HA 0.577 4.924 4.350 -0.004 0.000 0.280 1147 T C -0.260 174.532 174.700 0.154 0.000 0.990 1147 T CA -0.218 61.967 62.100 0.141 0.000 0.960 1147 T CB 0.686 69.633 68.868 0.133 0.000 0.939 1147 T HN 0.467 nan 8.240 nan 0.000 0.439 1148 L N 2.685 123.960 121.223 0.086 0.000 2.286 1148 L HA 0.671 5.009 4.340 -0.004 0.000 0.265 1148 L C -0.938 175.963 176.870 0.052 0.000 1.012 1148 L CA -1.305 53.575 54.840 0.066 0.000 0.818 1148 L CB 1.824 43.900 42.059 0.027 0.000 1.337 1148 L HN 0.418 nan 8.230 nan 0.000 0.438 1149 L N 2.723 123.968 121.223 0.037 0.000 2.372 1149 L HA 0.515 4.852 4.340 -0.004 0.000 0.273 1149 L C -0.897 175.978 176.870 0.007 0.000 0.989 1149 L CA -0.291 54.564 54.840 0.025 0.000 0.841 1149 L CB 1.854 43.929 42.059 0.027 0.000 1.225 1149 L HN 0.399 nan 8.230 nan 0.000 0.414 1150 I N 4.409 124.982 120.570 0.006 0.000 2.339 1150 I HA 0.379 4.547 4.170 -0.004 0.000 0.290 1150 I C -2.184 173.930 176.117 -0.004 0.000 0.994 1150 I CA -2.195 59.103 61.300 -0.003 0.000 1.191 1150 I CB 1.665 39.663 38.000 -0.003 0.000 1.343 1150 I HN 0.247 nan 8.210 nan 0.000 0.458 1151 P HA 0.064 nan 4.420 nan 0.000 0.266 1151 P C -1.067 176.228 177.300 -0.008 0.000 1.195 1151 P CA 0.053 63.147 63.100 -0.010 0.000 0.768 1151 P CB 0.437 32.130 31.700 -0.012 0.000 0.838 1152 K N 0.931 121.325 120.400 -0.010 0.000 2.469 1152 K HA 0.918 5.235 4.320 -0.004 0.000 0.268 1152 K C -1.623 174.972 176.600 -0.008 0.000 1.027 1152 K CA -1.277 55.006 56.287 -0.006 0.000 0.893 1152 K CB 1.915 34.413 32.500 -0.003 0.000 1.460 1152 K HN 0.289 nan 8.250 nan 0.000 0.449 1153 A N 1.078 123.897 122.820 -0.001 0.000 2.454 1153 A HA 0.776 5.093 4.320 -0.004 0.000 0.302 1153 A C -1.345 176.250 177.584 0.018 0.000 1.079 1153 A CA -0.944 51.095 52.037 0.003 0.000 0.731 1153 A CB 1.344 20.346 19.000 0.004 0.000 1.299 1153 A HN 0.581 nan 8.150 nan 0.000 0.413 1154 L N 0.193 121.436 121.223 0.034 0.000 2.333 1154 L HA 0.489 4.827 4.340 -0.004 0.000 0.263 1154 L C -0.373 176.556 176.870 0.099 0.000 1.014 1154 L CA -0.607 54.275 54.840 0.070 0.000 0.820 1154 L CB 2.388 44.504 42.059 0.095 0.000 1.352 1154 L HN 0.831 nan 8.230 nan 0.000 0.421 1155 Q N 1.557 121.425 119.800 0.114 0.000 2.465 1155 Q HA 0.312 4.650 4.340 -0.004 0.000 0.237 1155 Q C -1.120 175.007 176.000 0.213 0.000 1.051 1155 Q CA -0.436 55.441 55.803 0.122 0.000 0.874 1155 Q CB 1.226 30.000 28.738 0.061 0.000 1.207 1155 Q HN 0.248 nan 8.270 nan 0.000 0.508 1156 F N 2.175 122.161 119.950 0.059 0.000 2.371 1156 F HA 0.160 4.684 4.527 -0.004 0.000 0.329 1156 F C 0.764 176.594 175.800 0.051 0.000 1.107 1156 F CA -0.681 57.372 58.000 0.088 0.000 1.137 1156 F CB 1.095 40.200 39.000 0.176 0.000 1.214 1156 F HN 0.486 nan 8.300 nan 0.000 0.536 1157 D N 2.240 122.364 120.400 -0.461 0.000 2.327 1157 D HA -0.014 4.624 4.640 -0.004 0.000 0.205 1157 D C 0.448 176.487 176.300 -0.434 0.000 0.989 1157 D CA 0.534 54.322 54.000 -0.352 0.000 0.873 1157 D CB 0.072 40.716 40.800 -0.260 0.000 0.955 1157 D HN 0.277 nan 8.370 nan 0.000 0.515 1158 R N 1.495 121.502 120.500 -0.822 0.000 3.266 1158 R HA 0.231 4.568 4.340 -0.004 0.000 0.224 1158 R C 0.735 176.935 176.300 -0.166 0.000 1.525 1158 R CA -0.131 55.701 56.100 -0.447 0.000 1.364 1158 R CB -0.142 29.887 30.300 -0.452 0.000 1.276 1158 R HN 0.133 nan 8.270 nan 0.000 0.660 1159 L N 0.436 121.617 121.223 -0.070 0.000 2.446 1159 L HA 0.060 4.397 4.340 -0.004 0.000 0.219 1159 L C 0.583 177.474 176.870 0.035 0.000 1.116 1159 L CA 0.662 55.511 54.840 0.015 0.000 0.844 1159 L CB 0.204 42.304 42.059 0.068 0.000 0.970 1159 L HN 0.043 nan 8.230 nan 0.000 0.457 1160 V N -0.943 118.970 119.914 -0.001 0.000 2.628 1160 V HA 0.900 5.017 4.120 -0.004 0.000 0.306 1160 V C -0.159 175.850 176.094 -0.142 0.000 1.045 1160 V CA -0.783 61.491 62.300 -0.042 0.000 0.905 1160 V CB 1.440 33.236 31.823 -0.046 0.000 0.997 1160 V HN 0.018 nan 8.190 nan 0.000 0.436 1161 A N 2.109 124.800 122.820 -0.215 0.000 2.589 1161 A HA 0.824 5.141 4.320 -0.004 0.000 0.296 1161 A C -0.150 177.285 177.584 -0.247 0.000 1.062 1161 A CA -0.139 51.675 52.037 -0.372 0.000 0.686 1161 A CB 1.638 20.041 19.000 -0.995 0.000 1.282 1161 A HN 1.328 nan 8.150 nan 0.000 0.404 1162 G N 0.641 109.340 108.800 -0.168 0.000 2.351 1162 G HA2 0.520 4.477 3.960 -0.004 0.000 0.287 1162 G HA3 0.520 4.477 3.960 -0.004 0.000 0.287 1162 G C -0.428 174.434 174.900 -0.063 0.000 1.159 1162 G CA -0.113 44.936 45.100 -0.084 0.000 0.929 1162 G HN 0.727 nan 8.290 nan 0.000 0.435 1163 Q N 1.662 121.419 119.800 -0.071 0.000 2.375 1163 Q HA 0.421 4.759 4.340 -0.004 0.000 0.271 1163 Q C -0.521 175.434 176.000 -0.075 0.000 1.074 1163 Q CA -1.059 54.748 55.803 0.008 0.000 0.808 1163 Q CB 2.557 31.371 28.738 0.127 0.000 1.327 1163 Q HN 0.466 nan 8.270 nan 0.000 0.441 1164 I N 3.232 123.749 120.570 -0.089 0.000 2.919 1164 I HA -0.058 4.110 4.170 -0.004 0.000 0.303 1164 I C -2.077 173.992 176.117 -0.081 0.000 1.221 1164 I CA -0.888 60.309 61.300 -0.173 0.000 1.444 1164 I CB -0.193 37.640 38.000 -0.277 0.000 1.331 1164 I HN 0.417 nan 8.210 nan 0.000 0.572 1165 P HA -0.085 nan 4.420 nan 0.000 0.261 1165 P C -0.586 176.767 177.300 0.088 0.000 1.165 1165 P CA 0.327 63.432 63.100 0.008 0.000 0.759 1165 P CB -0.001 31.731 31.700 0.052 0.000 0.772 1166 T N 3.468 118.079 114.554 0.096 0.000 2.891 1166 T HA 0.332 4.680 4.350 -0.004 0.000 0.258 1166 T C 1.345 176.091 174.700 0.077 0.000 0.942 1166 T CA 1.062 63.212 62.100 0.082 0.000 1.200 1166 T CB -0.828 68.071 68.868 0.052 0.000 0.922 1166 T HN 0.750 nan 8.240 nan 0.000 0.585 1167 G N 2.650 111.487 108.800 0.061 0.000 2.935 1167 G HA2 -0.143 3.815 3.960 -0.004 0.000 0.213 1167 G HA3 -0.143 3.815 3.960 -0.004 0.000 0.213 1167 G C -0.042 174.858 174.900 0.001 0.000 0.984 1167 G CA -1.000 44.095 45.100 -0.009 0.000 0.790 1167 G HN 0.628 nan 8.290 nan 0.000 0.538 1168 W N 2.475 123.732 121.300 -0.072 0.000 2.223 1168 W HA 0.533 5.191 4.660 -0.004 0.000 0.334 1168 W C -0.468 176.025 176.519 -0.043 0.000 1.334 1168 W CA 1.031 58.347 57.345 -0.049 0.000 1.246 1168 W CB 0.851 30.339 29.460 0.048 0.000 1.184 1168 W HN 0.086 nan 8.180 nan 0.000 0.563 1169 D N 3.493 123.442 120.400 -0.751 0.000 2.964 1169 D HA 0.343 4.981 4.640 -0.004 0.000 0.234 1169 D C 0.576 176.250 176.300 -1.045 0.000 1.223 1169 D CA -0.111 53.468 54.000 -0.702 0.000 0.889 1169 D CB 1.955 42.504 40.800 -0.419 0.000 1.609 1169 D HN 0.417 nan 8.370 nan 0.000 0.523 1170 A N 3.595 125.909 122.820 -0.843 0.000 2.186 1170 A HA -0.144 4.174 4.320 -0.004 0.000 0.219 1170 A C 1.887 179.272 177.584 -0.332 0.000 1.159 1170 A CA 1.181 52.907 52.037 -0.517 0.000 0.680 1170 A CB -0.244 18.598 19.000 -0.263 0.000 0.787 1170 A HN 0.598 nan 8.150 nan 0.000 0.467 1171 R N -0.894 119.382 120.500 -0.372 0.000 2.161 1171 R HA 0.047 4.384 4.340 -0.004 0.000 0.213 1171 R C 2.192 178.308 176.300 -0.306 0.000 1.055 1171 R CA 0.588 56.519 56.100 -0.282 0.000 0.996 1171 R CB -0.108 30.041 30.300 -0.251 0.000 0.901 1171 R HN 0.494 nan 8.270 nan 0.000 0.456 1172 R N -0.651 119.546 120.500 -0.506 0.000 2.120 1172 R HA -0.156 4.182 4.340 -0.004 0.000 0.234 1172 R C 1.563 177.621 176.300 -0.403 0.000 1.123 1172 R CA 1.383 57.092 56.100 -0.651 0.000 0.975 1172 R CB -0.225 29.336 30.300 -1.231 0.000 0.866 1172 R HN 0.358 nan 8.270 nan 0.000 0.446 1173 Y N -0.599 119.611 120.300 -0.151 0.000 2.337 1173 Y HA 0.005 4.553 4.550 -0.004 0.000 0.293 1173 Y C 1.850 177.799 175.900 0.083 0.000 1.123 1173 Y CA 0.942 59.087 58.100 0.076 0.000 1.201 1173 Y CB 0.402 38.908 38.460 0.076 0.000 1.011 1173 Y HN 0.340 nan 8.280 nan 0.000 0.545 1174 G N -0.772 108.090 108.800 0.102 0.000 2.227 1174 G HA2 -0.212 3.745 3.960 -0.004 0.000 0.168 1174 G HA3 -0.212 3.745 3.960 -0.004 0.000 0.168 1174 G C -0.277 174.656 174.900 0.054 0.000 1.006 1174 G CA -0.210 44.955 45.100 0.108 0.000 0.684 1174 G HN 0.031 nan 8.290 nan 0.000 0.489 1175 V N 2.466 122.256 119.914 -0.206 0.000 2.617 1175 V HA 0.252 4.370 4.120 -0.004 0.000 0.304 1175 V C -1.211 174.768 176.094 -0.191 0.000 1.040 1175 V CA -0.303 61.732 62.300 -0.442 0.000 1.149 1175 V CB 0.710 32.159 31.823 -0.624 0.000 0.914 1175 V HN 0.208 nan 8.190 nan 0.000 0.487 1176 P HA 0.082 nan 4.420 nan 0.000 0.268 1176 P C 0.656 177.893 177.300 -0.106 0.000 1.205 1176 P CA -0.103 62.961 63.100 -0.060 0.000 0.771 1176 P CB 0.707 32.402 31.700 -0.009 0.000 0.858 1177 E N 3.083 123.232 120.200 -0.084 0.000 2.058 1177 E HA -0.268 4.080 4.350 -0.004 0.000 0.194 1177 E C 1.274 177.816 176.600 -0.097 0.000 0.997 1177 E CA 2.107 58.451 56.400 -0.094 0.000 0.801 1177 E CB -0.624 29.034 29.700 -0.070 0.000 0.746 1177 E HN 0.517 nan 8.360 nan 0.000 0.450 1178 D N 0.209 120.565 120.400 -0.074 0.000 2.182 1178 D HA -0.197 4.440 4.640 -0.004 0.000 0.201 1178 D C 1.887 178.115 176.300 -0.119 0.000 0.986 1178 D CA 0.922 54.881 54.000 -0.069 0.000 0.847 1178 D CB -0.294 40.488 40.800 -0.030 0.000 0.942 1178 D HN 0.311 nan 8.370 nan 0.000 0.467 1179 I N 0.753 121.225 120.570 -0.163 0.000 2.500 1179 I HA -0.119 4.048 4.170 -0.004 0.000 0.252 1179 I C 2.544 178.472 176.117 -0.315 0.000 1.142 1179 I CA 0.254 61.376 61.300 -0.297 0.000 1.451 1179 I CB -0.382 37.432 38.000 -0.309 0.000 1.093 1179 I HN 0.002 nan 8.210 nan 0.000 0.430 1180 I N 0.800 121.227 120.570 -0.238 0.000 2.163 1180 I HA -0.283 3.884 4.170 -0.004 0.000 0.243 1180 I C 2.534 178.542 176.117 -0.182 0.000 1.085 1180 I CA 1.492 62.663 61.300 -0.215 0.000 1.347 1180 I CB -0.930 36.964 38.000 -0.176 0.000 1.044 1180 I HN 0.333 nan 8.210 nan 0.000 0.408 1181 Q N 0.013 119.725 119.800 -0.147 0.000 2.224 1181 Q HA -0.224 4.113 4.340 -0.004 0.000 0.203 1181 Q C 2.093 178.028 176.000 -0.109 0.000 0.970 1181 Q CA 1.284 57.022 55.803 -0.108 0.000 0.865 1181 Q CB -0.275 28.416 28.738 -0.078 0.000 0.922 1181 Q HN 0.584 nan 8.270 nan 0.000 0.445 1182 Q N 0.069 119.779 119.800 -0.151 0.000 2.250 1182 Q HA 0.017 4.355 4.340 -0.004 0.000 0.200 1182 Q C 0.170 176.083 176.000 -0.145 0.000 0.941 1182 Q CA 0.437 56.164 55.803 -0.127 0.000 0.872 1182 Q CB 0.625 29.277 28.738 -0.143 0.000 0.965 1182 Q HN 0.058 nan 8.270 nan 0.000 0.480 1183 V N 0.948 120.708 119.914 -0.255 0.000 2.881 1183 V HA 0.259 4.377 4.120 -0.004 0.000 0.316 1183 V C -0.032 175.960 176.094 -0.170 0.000 1.070 1183 V CA -1.151 60.996 62.300 -0.255 0.000 0.976 1183 V CB 1.517 33.021 31.823 -0.531 0.000 1.038 1183 V HN 0.176 nan 8.190 nan 0.000 0.446 1184 D N 2.278 122.614 120.400 -0.107 0.000 2.443 1184 D HA 0.090 4.728 4.640 -0.004 0.000 0.239 1184 D C -1.641 174.546 176.300 -0.187 0.000 1.136 1184 D CA -1.135 52.808 54.000 -0.096 0.000 0.879 1184 D CB 2.020 42.801 40.800 -0.031 0.000 1.195 1184 D HN 0.217 nan 8.370 nan 0.000 0.443 1185 P HA -0.179 nan 4.420 nan 0.000 0.216 1185 P C 1.713 178.599 177.300 -0.691 0.000 1.154 1185 P CA 0.542 63.405 63.100 -0.395 0.000 0.865 1185 P CB 0.240 31.778 31.700 -0.269 0.000 0.789 1186 V N -0.343 119.343 119.914 -0.380 0.000 2.233 1186 V HA -0.341 3.776 4.120 -0.004 0.000 0.252 1186 V C 2.307 178.188 176.094 -0.357 0.000 1.063 1186 V CA 2.853 65.010 62.300 -0.238 0.000 1.032 1186 V CB -1.659 30.133 31.823 -0.051 0.000 0.645 1186 V HN 0.211 nan 8.190 nan 0.000 0.446 1187 T N 0.025 114.391 114.554 -0.313 0.000 2.803 1187 T HA -0.168 4.179 4.350 -0.004 0.000 0.269 1187 T C 1.784 176.359 174.700 -0.209 0.000 1.052 1187 T CA 1.517 63.465 62.100 -0.253 0.000 1.136 1187 T CB -0.267 68.499 68.868 -0.171 0.000 0.864 1187 T HN 0.312 nan 8.240 nan 0.000 0.467 1188 L N -0.540 120.518 121.223 -0.276 0.000 2.093 1188 L HA -0.082 4.255 4.340 -0.004 0.000 0.208 1188 L C 2.301 179.208 176.870 0.062 0.000 1.085 1188 L CA 1.567 56.301 54.840 -0.177 0.000 0.755 1188 L CB -0.634 41.300 42.059 -0.208 0.000 0.904 1188 L HN 0.430 nan 8.230 nan 0.000 0.435 1189 Y N -0.776 119.588 120.300 0.106 0.000 2.114 1189 Y HA -0.244 4.303 4.550 -0.004 0.000 0.284 1189 Y C 2.669 178.611 175.900 0.069 0.000 1.143 1189 Y CA 0.696 58.844 58.100 0.079 0.000 1.135 1189 Y CB -0.631 37.824 38.460 -0.007 0.000 0.980 1189 Y HN -0.138 nan 8.280 nan 0.000 0.499 1190 V N 0.700 120.695 119.914 0.135 0.000 2.324 1190 V HA -0.337 3.781 4.120 -0.004 0.000 0.250 1190 V C 2.298 178.484 176.094 0.153 0.000 1.060 1190 V CA 1.731 64.086 62.300 0.092 0.000 1.042 1190 V CB -0.776 30.979 31.823 -0.115 0.000 0.650 1190 V HN 0.421 nan 8.190 nan 0.000 0.450 1191 L N -0.650 120.649 121.223 0.127 0.000 1.994 1191 L HA -0.159 4.178 4.340 -0.004 0.000 0.208 1191 L C 2.499 179.544 176.870 0.291 0.000 1.071 1191 L CA 1.458 56.425 54.840 0.212 0.000 0.745 1191 L CB -0.499 41.578 42.059 0.029 0.000 0.892 1191 L HN 0.202 nan 8.230 nan 0.000 0.431 1192 V N -0.971 119.053 119.914 0.184 0.000 2.427 1192 V HA -0.285 3.833 4.120 -0.004 0.000 0.248 1192 V C 2.680 178.864 176.094 0.149 0.000 1.051 1192 V CA 1.793 64.183 62.300 0.150 0.000 1.048 1192 V CB -0.121 31.745 31.823 0.072 0.000 0.666 1192 V HN 0.498 nan 8.190 nan 0.000 0.456 1193 S N -0.017 115.791 115.700 0.181 0.000 2.378 1193 S HA -0.221 4.247 4.470 -0.004 0.000 0.221 1193 S C 2.036 176.744 174.600 0.181 0.000 1.037 1193 S CA 2.259 60.560 58.200 0.168 0.000 1.069 1193 S CB -0.441 62.874 63.200 0.191 0.000 1.006 1193 S HN 0.281 nan 8.310 nan 0.000 0.423 1194 V N 2.284 122.319 119.914 0.202 0.000 2.527 1194 V HA -0.237 3.881 4.120 -0.004 0.000 0.255 1194 V C 2.770 178.979 176.094 0.191 0.000 1.081 1194 V CA 1.975 64.391 62.300 0.194 0.000 1.092 1194 V CB -1.401 30.543 31.823 0.202 0.000 0.673 1194 V HN 0.668 nan 8.190 nan 0.000 0.470 1195 A N -1.060 121.896 122.820 0.227 0.000 1.897 1195 A HA -0.177 4.141 4.320 -0.004 0.000 0.215 1195 A C 2.221 179.934 177.584 0.214 0.000 1.181 1195 A CA 1.515 53.676 52.037 0.206 0.000 0.620 1195 A CB -0.374 18.821 19.000 0.325 0.000 0.821 1195 A HN 0.569 nan 8.150 nan 0.000 0.443 1196 E N -0.436 119.889 120.200 0.209 0.000 2.152 1196 E HA -0.009 4.339 4.350 -0.004 0.000 0.192 1196 E C 2.199 178.938 176.600 0.231 0.000 0.983 1196 E CA 0.630 57.174 56.400 0.240 0.000 0.818 1196 E CB -0.149 29.675 29.700 0.207 0.000 0.758 1196 E HN 0.597 nan 8.360 nan 0.000 0.467 1197 A N 0.918 123.848 122.820 0.182 0.000 1.930 1197 A HA -0.134 4.183 4.320 -0.004 0.000 0.217 1197 A C 2.091 179.776 177.584 0.168 0.000 1.175 1197 A CA 0.841 52.969 52.037 0.152 0.000 0.627 1197 A CB -0.466 18.613 19.000 0.131 0.000 0.815 1197 A HN 0.166 nan 8.150 nan 0.000 0.443 1198 L N -0.938 120.391 121.223 0.177 0.000 2.141 1198 L HA -0.110 4.228 4.340 -0.004 0.000 0.209 1198 L C 2.561 179.524 176.870 0.156 0.000 1.094 1198 L CA 1.000 55.941 54.840 0.167 0.000 0.763 1198 L CB -0.367 41.781 42.059 0.148 0.000 0.908 1198 L HN 0.475 nan 8.230 nan 0.000 0.437 1199 L N -0.368 120.982 121.223 0.212 0.000 2.072 1199 L HA -0.168 4.170 4.340 -0.004 0.000 0.205 1199 L C 2.804 179.872 176.870 0.329 0.000 1.079 1199 L CA 1.376 56.360 54.840 0.240 0.000 0.752 1199 L CB -0.099 42.151 42.059 0.319 0.000 0.906 1199 L HN 0.356 nan 8.230 nan 0.000 0.436 1200 S N -2.274 113.668 115.700 0.403 0.000 2.469 1200 S HA -0.172 4.296 4.470 -0.004 0.000 0.238 1200 S C 1.798 176.602 174.600 0.341 0.000 0.998 1200 S CA 1.296 59.791 58.200 0.491 0.000 0.957 1200 S CB -0.280 63.082 63.200 0.270 0.000 0.764 1200 S HN 0.422 nan 8.310 nan 0.000 0.514 1201 S N -0.442 115.375 115.700 0.195 0.000 2.554 1201 S HA 0.465 4.933 4.470 -0.004 0.000 0.226 1201 S C 1.292 175.868 174.600 -0.039 0.000 0.980 1201 S CA 0.502 58.737 58.200 0.059 0.000 0.939 1201 S CB -0.637 62.631 63.200 0.113 0.000 0.832 1201 S HN 1.302 nan 8.310 nan 0.000 0.486 1202 G N 1.480 110.331 108.800 0.084 0.000 2.179 1202 G HA2 -0.196 3.762 3.960 -0.004 0.000 0.260 1202 G HA3 -0.196 3.762 3.960 -0.004 0.000 0.260 1202 G C 0.013 174.911 174.900 -0.003 0.000 0.977 1202 G CA 0.262 45.448 45.100 0.143 0.000 0.641 1202 G HN 0.510 nan 8.290 nan 0.000 0.533 1203 I N 1.974 122.505 120.570 -0.066 0.000 2.337 1203 I HA 0.287 4.455 4.170 -0.004 0.000 0.291 1203 I C 1.438 177.458 176.117 -0.162 0.000 1.046 1203 I CA 0.333 61.519 61.300 -0.190 0.000 1.324 1203 I CB 0.458 38.281 38.000 -0.294 0.000 1.409 1203 I HN 0.004 nan 8.210 nan 0.000 0.494 1204 T N 3.343 117.741 114.554 -0.259 0.000 2.818 1204 T HA -0.039 4.308 4.350 -0.004 0.000 0.246 1204 T C 0.567 175.040 174.700 -0.377 0.000 1.036 1204 T CA 0.856 62.687 62.100 -0.449 0.000 1.160 1204 T CB 0.080 68.557 68.868 -0.651 0.000 0.869 1204 T HN 0.585 nan 8.240 nan 0.000 0.419 1205 D N 1.318 121.531 120.400 -0.311 0.000 2.233 1205 D HA 0.236 4.873 4.640 -0.004 0.000 0.240 1205 D C -2.057 174.115 176.300 -0.213 0.000 1.074 1205 D CA -2.534 51.310 54.000 -0.260 0.000 0.838 1205 D CB 1.913 42.590 40.800 -0.204 0.000 1.124 1205 D HN -0.017 nan 8.370 nan 0.000 0.475 1206 P HA -0.086 nan 4.420 nan 0.000 0.230 1206 P C 0.854 178.193 177.300 0.064 0.000 1.158 1206 P CA 0.581 63.674 63.100 -0.012 0.000 0.769 1206 P CB 0.056 31.797 31.700 0.068 0.000 0.807 1207 Y N 0.534 120.788 120.300 -0.076 0.000 2.352 1207 Y HA -0.125 4.423 4.550 -0.004 0.000 0.292 1207 Y C 2.385 178.203 175.900 -0.137 0.000 1.136 1207 Y CA 0.128 58.202 58.100 -0.042 0.000 1.227 1207 Y CB -1.209 37.264 38.460 0.023 0.000 0.991 1207 Y HN 0.161 nan 8.280 nan 0.000 0.545 1208 E N -0.095 120.085 120.200 -0.034 0.000 2.171 1208 E HA -0.252 4.095 4.350 -0.004 0.000 0.197 1208 E C 1.790 178.354 176.600 -0.060 0.000 0.997 1208 E CA 1.247 57.593 56.400 -0.091 0.000 0.810 1208 E CB -0.465 29.136 29.700 -0.166 0.000 0.738 1208 E HN 0.459 nan 8.360 nan 0.000 0.467 1209 F N -0.525 119.355 119.950 -0.116 0.000 2.192 1209 F HA -0.222 4.303 4.527 -0.004 0.000 0.301 1209 F C 1.109 176.854 175.800 -0.092 0.000 1.079 1209 F CA 0.737 58.645 58.000 -0.153 0.000 1.303 1209 F CB -0.082 38.667 39.000 -0.418 0.000 1.024 1209 F HN 0.139 nan 8.300 nan 0.000 0.494 1210 Y N -0.051 120.402 120.300 0.255 0.000 2.596 1210 Y HA 0.142 4.689 4.550 -0.004 0.000 0.316 1210 Y C 1.374 177.288 175.900 0.023 0.000 1.156 1210 Y CA -0.603 57.576 58.100 0.132 0.000 1.300 1210 Y CB -0.971 37.493 38.460 0.007 0.000 1.130 1210 Y HN 0.015 nan 8.280 nan 0.000 0.518 1211 K N -1.270 119.161 120.400 0.052 0.000 2.287 1211 K HA 0.067 4.385 4.320 -0.004 0.000 0.199 1211 K C 0.479 176.926 176.600 -0.255 0.000 1.061 1211 K CA 0.712 56.872 56.287 -0.211 0.000 0.976 1211 K CB 0.178 32.362 32.500 -0.527 0.000 0.898 1211 K HN 0.324 nan 8.250 nan 0.000 0.492 1212 Y N -0.376 120.005 120.300 0.135 0.000 2.458 1212 Y HA 0.207 4.754 4.550 -0.004 0.000 0.254 1212 Y C 0.399 176.400 175.900 0.167 0.000 1.120 1212 Y CA -0.343 57.836 58.100 0.133 0.000 1.282 1212 Y CB 1.053 39.583 38.460 0.117 0.000 1.109 1212 Y HN -0.297 nan 8.280 nan 0.000 0.526 1213 V N -0.938 119.189 119.914 0.355 0.000 3.087 1213 V HA 0.185 4.303 4.120 -0.004 0.000 0.306 1213 V C -1.249 175.094 176.094 0.415 0.000 1.187 1213 V CA -1.386 61.117 62.300 0.339 0.000 0.999 1213 V CB 2.216 34.223 31.823 0.307 0.000 1.049 1213 V HN 0.071 nan 8.190 nan 0.000 0.431 1214 H N 2.100 121.299 119.070 0.216 0.000 2.629 1214 H HA 0.388 4.942 4.556 -0.004 0.000 0.357 1214 H C 1.038 176.458 175.328 0.153 0.000 1.121 1214 H CA 0.216 56.351 56.048 0.143 0.000 1.406 1214 H CB 0.894 30.672 29.762 0.028 0.000 1.456 1214 H HN 0.553 nan 8.280 nan 0.000 0.579 1215 L N 2.102 122.935 121.223 -0.651 0.000 2.123 1215 L HA -0.293 4.044 4.340 -0.004 0.000 0.217 1215 L C 1.902 178.566 176.870 -0.344 0.000 1.081 1215 L CA 2.026 56.477 54.840 -0.648 0.000 0.772 1215 L CB -0.762 40.707 42.059 -0.984 0.000 0.890 1215 L HN 0.658 nan 8.230 nan 0.000 0.437 1216 S N -2.006 113.475 115.700 -0.365 0.000 2.710 1216 S HA 0.039 4.507 4.470 -0.004 0.000 0.224 1216 S C 1.060 175.671 174.600 0.018 0.000 0.948 1216 S CA 0.026 58.169 58.200 -0.096 0.000 0.949 1216 S CB 0.112 63.326 63.200 0.023 0.000 0.778 1216 S HN 0.484 nan 8.310 nan 0.000 0.498 1217 E N 0.179 120.411 120.200 0.052 0.000 2.601 1217 E HA 0.198 4.546 4.350 -0.004 0.000 0.219 1217 E C -0.887 175.717 176.600 0.006 0.000 0.964 1217 E CA -0.059 56.373 56.400 0.054 0.000 1.050 1217 E CB 1.301 31.059 29.700 0.096 0.000 1.068 1217 E HN 0.334 nan 8.360 nan 0.000 0.496 1218 V N 1.597 121.516 119.914 0.009 0.000 2.408 1218 V HA 0.429 4.546 4.120 -0.004 0.000 0.267 1218 V C 0.604 176.669 176.094 -0.050 0.000 1.047 1218 V CA -0.460 61.779 62.300 -0.102 0.000 0.937 1218 V CB 0.948 32.687 31.823 -0.140 0.000 0.999 1218 V HN 0.121 nan 8.190 nan 0.000 0.472 1219 G N 2.972 111.734 108.800 -0.063 0.000 2.471 1219 G HA2 0.491 4.449 3.960 -0.004 0.000 0.332 1219 G HA3 0.491 4.449 3.960 -0.004 0.000 0.332 1219 G C -0.704 174.193 174.900 -0.004 0.000 1.176 1219 G CA -0.568 44.520 45.100 -0.020 0.000 0.949 1219 G HN 0.539 nan 8.290 nan 0.000 0.488 1220 N N -0.162 118.553 118.700 0.024 0.000 2.576 1220 N HA 0.237 4.974 4.740 -0.004 0.000 0.269 1220 N C -0.795 174.753 175.510 0.063 0.000 1.058 1220 N CA -0.464 52.617 53.050 0.051 0.000 0.860 1220 N CB 1.346 39.873 38.487 0.068 0.000 1.249 1220 N HN 0.268 nan 8.380 nan 0.000 0.525 1221 C N 4.335 123.676 119.300 0.068 0.000 2.624 1221 C HA 0.478 4.935 4.460 -0.004 0.000 0.263 1221 C C 0.648 175.688 174.990 0.084 0.000 1.587 1221 C CA -0.684 58.375 59.018 0.067 0.000 1.718 1221 C CB -1.705 26.066 27.740 0.052 0.000 3.050 1221 C HN 0.566 nan 8.230 nan 0.000 0.517 1222 I N 1.485 122.131 120.570 0.127 0.000 2.395 1222 I HA 0.542 4.709 4.170 -0.004 0.000 0.289 1222 I C 0.952 177.151 176.117 0.138 0.000 1.023 1222 I CA 0.545 61.945 61.300 0.167 0.000 1.350 1222 I CB 0.934 39.102 38.000 0.279 0.000 1.409 1222 I HN 0.445 nan 8.210 nan 0.000 0.507 1223 G N 3.413 112.202 108.800 -0.019 0.000 3.140 1223 G HA2 0.813 4.771 3.960 -0.004 0.000 0.271 1223 G HA3 0.813 4.771 3.960 -0.004 0.000 0.271 1223 G C -1.048 173.459 174.900 -0.655 0.000 1.370 1223 G CA -0.317 44.670 45.100 -0.188 0.000 1.014 1223 G HN 0.726 nan 8.290 nan 0.000 0.541 1224 S N -3.172 112.217 115.700 -0.519 0.000 2.645 1224 S HA 0.529 4.996 4.470 -0.004 0.000 0.268 1224 S C 0.835 175.292 174.600 -0.239 0.000 1.110 1224 S CA 0.593 58.434 58.200 -0.598 0.000 0.823 1224 S CB 0.826 63.298 63.200 -1.213 0.000 1.091 1224 S HN 1.646 nan 8.310 nan 0.000 0.466 1225 G N 0.088 108.801 108.800 -0.145 0.000 2.395 1225 G HA2 0.379 4.336 3.960 -0.004 0.000 0.214 1225 G HA3 0.379 4.336 3.960 -0.004 0.000 0.214 1225 G C 0.416 175.293 174.900 -0.039 0.000 1.177 1225 G CA 0.961 46.027 45.100 -0.057 0.000 0.794 1225 G HN 1.845 nan 8.290 nan 0.000 0.532 1226 V N -1.785 118.120 119.914 -0.015 0.000 2.841 1226 V HA 0.683 4.800 4.120 -0.004 0.000 0.258 1226 V C -0.037 176.108 176.094 0.085 0.000 0.973 1226 V CA -0.683 61.623 62.300 0.012 0.000 0.921 1226 V CB 0.573 32.375 31.823 -0.035 0.000 1.053 1226 V HN 0.407 nan 8.190 nan 0.000 0.498 1227 G N 1.338 110.242 108.800 0.174 0.000 2.437 1227 G HA2 0.683 4.640 3.960 -0.004 0.000 0.319 1227 G HA3 0.683 4.640 3.960 -0.004 0.000 0.319 1227 G C 0.861 175.906 174.900 0.241 0.000 1.158 1227 G CA -0.248 45.069 45.100 0.361 0.000 0.899 1227 G HN 2.277 nan 8.290 nan 0.000 0.502 1228 G N -0.116 108.803 108.800 0.199 0.000 2.204 1228 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.244 1228 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.244 1228 G C 0.961 175.903 174.900 0.070 0.000 1.062 1228 G CA 0.753 45.919 45.100 0.111 0.000 0.798 1228 G HN 1.041 nan 8.290 nan 0.000 0.496 1229 T N 0.158 114.757 114.554 0.075 0.000 2.833 1229 T HA -0.067 4.281 4.350 -0.004 0.000 0.269 1229 T C 2.603 177.314 174.700 0.020 0.000 1.054 1229 T CA 1.859 63.979 62.100 0.033 0.000 1.135 1229 T CB -0.130 68.758 68.868 0.034 0.000 0.869 1229 T HN 0.484 nan 8.240 nan 0.000 0.466 1230 S N 1.840 117.560 115.700 0.033 0.000 2.355 1230 S HA 0.043 4.510 4.470 -0.004 0.000 0.222 1230 S C 2.671 177.284 174.600 0.022 0.000 1.031 1230 S CA 0.861 59.076 58.200 0.024 0.000 0.993 1230 S CB -0.640 62.573 63.200 0.023 0.000 0.859 1230 S HN 0.614 nan 8.310 nan 0.000 0.453 1231 A N 1.560 124.395 122.820 0.025 0.000 1.972 1231 A HA 0.031 4.348 4.320 -0.004 0.000 0.219 1231 A C 2.099 179.703 177.584 0.034 0.000 1.169 1231 A CA 0.924 52.976 52.037 0.023 0.000 0.635 1231 A CB -0.702 18.314 19.000 0.027 0.000 0.810 1231 A HN 0.414 nan 8.150 nan 0.000 0.446 1232 L N -0.663 120.589 121.223 0.048 0.000 1.994 1232 L HA -0.213 4.125 4.340 -0.004 0.000 0.208 1232 L C 2.896 179.865 176.870 0.165 0.000 1.071 1232 L CA 2.144 57.050 54.840 0.111 0.000 0.745 1232 L CB -0.565 41.515 42.059 0.036 0.000 0.892 1232 L HN 0.590 nan 8.230 nan 0.000 0.431 1233 R N 0.311 120.851 120.500 0.066 0.000 2.083 1233 R HA -0.161 4.177 4.340 -0.004 0.000 0.237 1233 R C 2.090 178.426 176.300 0.061 0.000 1.137 1233 R CA 1.708 57.839 56.100 0.050 0.000 0.951 1233 R CB -0.681 29.618 30.300 -0.002 0.000 0.851 1233 R HN 0.377 nan 8.270 nan 0.000 0.434 1234 G N 1.531 110.353 108.800 0.038 0.000 2.485 1234 G HA2 -0.303 3.654 3.960 -0.004 0.000 0.221 1234 G HA3 -0.303 3.654 3.960 -0.004 0.000 0.221 1234 G C 1.511 176.412 174.900 0.002 0.000 1.115 1234 G CA 1.212 46.323 45.100 0.019 0.000 0.751 1234 G HN 0.597 nan 8.290 nan 0.000 0.567 1235 M N -2.993 116.599 119.600 -0.014 0.000 2.491 1235 M HA 0.410 4.887 4.480 -0.004 0.000 0.259 1235 M C 1.817 177.983 176.300 -0.224 0.000 1.163 1235 M CA 0.301 55.521 55.300 -0.133 0.000 1.109 1235 M CB 0.369 32.837 32.600 -0.220 0.000 1.353 1235 M HN 0.042 nan 8.290 nan 0.000 0.500 1236 Y N 1.143 121.416 120.300 -0.045 0.000 2.503 1236 Y HA 0.257 4.805 4.550 -0.004 0.000 0.278 1236 Y C 2.414 178.284 175.900 -0.051 0.000 1.111 1236 Y CA 0.889 58.950 58.100 -0.066 0.000 1.270 1236 Y CB 0.468 38.876 38.460 -0.086 0.000 1.063 1236 Y HN 0.308 nan 8.280 nan 0.000 0.548 1237 K N -0.565 119.904 120.400 0.116 0.000 2.537 1237 K HA 0.030 4.347 4.320 -0.004 0.000 0.216 1237 K C 0.999 177.666 176.600 0.110 0.000 1.349 1237 K CA 0.579 56.932 56.287 0.110 0.000 0.841 1237 K CB -0.082 32.456 32.500 0.063 0.000 1.659 1237 K HN -0.191 nan 8.250 nan 0.000 0.435 1238 D N 1.165 121.602 120.400 0.061 0.000 2.271 1238 D HA -0.169 4.469 4.640 -0.004 0.000 0.207 1238 D C 1.827 178.147 176.300 0.033 0.000 0.983 1238 D CA 1.074 55.096 54.000 0.038 0.000 0.878 1238 D CB 0.087 40.900 40.800 0.021 0.000 0.920 1238 D HN 0.251 nan 8.370 nan 0.000 0.479 1239 R N -1.077 119.449 120.500 0.043 0.000 2.112 1239 R HA -0.091 4.247 4.340 -0.004 0.000 0.216 1239 R C 2.149 178.488 176.300 0.065 0.000 1.080 1239 R CA 0.406 56.522 56.100 0.026 0.000 0.996 1239 R CB -0.488 29.808 30.300 -0.007 0.000 0.902 1239 R HN 0.078 nan 8.270 nan 0.000 0.449 1240 Y N 1.039 121.312 120.300 -0.044 0.000 2.256 1240 Y HA -0.113 4.435 4.550 -0.004 0.000 0.288 1240 Y C 1.312 177.193 175.900 -0.032 0.000 1.155 1240 Y CA 1.515 59.592 58.100 -0.038 0.000 1.203 1240 Y CB 0.009 38.453 38.460 -0.027 0.000 0.980 1240 Y HN 0.089 nan 8.280 nan 0.000 0.530 1241 L N -0.302 120.893 121.223 -0.046 0.000 2.591 1241 L HA 0.013 4.351 4.340 -0.004 0.000 0.228 1241 L C 0.655 177.467 176.870 -0.097 0.000 1.133 1241 L CA 0.990 55.756 54.840 -0.123 0.000 0.880 1241 L CB -0.245 41.792 42.059 -0.036 0.000 1.033 1241 L HN 0.088 nan 8.230 nan 0.000 0.450 1242 D N 0.491 120.848 120.400 -0.071 0.000 3.041 1242 D HA -0.176 4.462 4.640 -0.004 0.000 0.220 1242 D C 0.289 176.566 176.300 -0.038 0.000 1.157 1242 D CA 0.845 54.809 54.000 -0.060 0.000 0.876 1242 D CB -0.524 40.226 40.800 -0.083 0.000 1.107 1242 D HN 0.265 nan 8.370 nan 0.000 0.422 1243 K N 0.392 120.777 120.400 -0.025 0.000 2.258 1243 K HA 0.356 4.673 4.320 -0.004 0.000 0.264 1243 K C -2.329 174.263 176.600 -0.012 0.000 1.007 1243 K CA -1.296 54.982 56.287 -0.016 0.000 0.941 1243 K CB 0.264 32.760 32.500 -0.007 0.000 0.966 1243 K HN 0.040 nan 8.250 nan 0.000 0.480 1244 P HA 0.036 nan 4.420 nan 0.000 0.264 1244 P C -1.089 176.207 177.300 -0.006 0.000 1.229 1244 P CA 0.008 63.102 63.100 -0.009 0.000 0.780 1244 P CB 0.483 32.179 31.700 -0.007 0.000 0.808 1245 V N 4.107 124.017 119.914 -0.007 0.000 2.841 1245 V HA 0.198 4.315 4.120 -0.004 0.000 0.310 1245 V C 0.308 176.401 176.094 -0.003 0.000 1.090 1245 V CA -0.930 61.367 62.300 -0.005 0.000 0.930 1245 V CB 2.058 33.878 31.823 -0.006 0.000 1.014 1245 V HN 0.451 nan 8.190 nan 0.000 0.425 1246 Q N 2.100 121.901 119.800 0.002 0.000 2.450 1246 Q HA 0.009 4.347 4.340 -0.004 0.000 0.294 1246 Q C 0.554 176.560 176.000 0.010 0.000 1.129 1246 Q CA 0.364 56.172 55.803 0.009 0.000 0.970 1246 Q CB 0.959 29.708 28.738 0.018 0.000 1.294 1246 Q HN 0.543 nan 8.270 nan 0.000 0.453 1247 K N 0.567 120.977 120.400 0.017 0.000 2.262 1247 K HA -0.089 4.228 4.320 -0.004 0.000 0.200 1247 K C 0.444 177.060 176.600 0.027 0.000 1.049 1247 K CA 1.146 57.443 56.287 0.016 0.000 0.979 1247 K CB 0.318 32.829 32.500 0.018 0.000 0.773 1247 K HN 0.609 nan 8.250 nan 0.000 0.474 1248 D N -0.063 120.364 120.400 0.045 0.000 2.388 1248 D HA 0.006 4.644 4.640 -0.004 0.000 0.221 1248 D C 1.116 177.464 176.300 0.079 0.000 1.133 1248 D CA -0.113 53.930 54.000 0.070 0.000 0.831 1248 D CB -0.382 40.475 40.800 0.094 0.000 0.962 1248 D HN 0.149 nan 8.370 nan 0.000 0.502 1249 I N -0.703 119.894 120.570 0.046 0.000 2.315 1249 I HA -0.241 3.927 4.170 -0.004 0.000 0.251 1249 I C 2.145 178.282 176.117 0.034 0.000 1.125 1249 I CA 0.566 61.888 61.300 0.037 0.000 1.392 1249 I CB -0.472 37.531 38.000 0.005 0.000 1.065 1249 I HN 0.048 nan 8.210 nan 0.000 0.424 1250 L N 0.872 122.109 121.223 0.024 0.000 2.013 1250 L HA -0.284 4.054 4.340 -0.004 0.000 0.212 1250 L C 2.604 179.538 176.870 0.106 0.000 1.073 1250 L CA 1.926 56.767 54.840 0.001 0.000 0.753 1250 L CB -0.940 41.145 42.059 0.044 0.000 0.890 1250 L HN 0.335 nan 8.230 nan 0.000 0.432 1251 Q N -0.533 119.415 119.800 0.245 0.000 2.012 1251 Q HA -0.251 4.086 4.340 -0.004 0.000 0.211 1251 Q C 1.660 177.884 176.000 0.373 0.000 1.009 1251 Q CA 2.257 58.279 55.803 0.365 0.000 0.866 1251 Q CB -0.304 28.586 28.738 0.252 0.000 0.945 1251 Q HN 0.566 nan 8.270 nan 0.000 0.414 1252 E N -0.044 120.303 120.200 0.245 0.000 2.526 1252 E HA -0.059 4.288 4.350 -0.004 0.000 0.198 1252 E C 1.522 178.211 176.600 0.147 0.000 1.091 1252 E CA 0.766 57.305 56.400 0.231 0.000 0.880 1252 E CB 0.110 29.914 29.700 0.173 0.000 0.873 1252 E HN 0.345 nan 8.360 nan 0.000 0.527 1253 S N -0.545 115.186 115.700 0.051 0.000 2.517 1253 S HA 0.081 4.549 4.470 -0.004 0.000 0.214 1253 S C 0.556 175.114 174.600 -0.069 0.000 0.991 1253 S CA -0.502 57.668 58.200 -0.051 0.000 0.906 1253 S CB -0.257 62.845 63.200 -0.163 0.000 0.789 1253 S HN -0.033 nan 8.310 nan 0.000 0.513 1254 F N 1.996 122.018 119.950 0.120 0.000 2.484 1254 F HA 0.308 4.833 4.527 -0.004 0.000 0.360 1254 F C 1.576 177.470 175.800 0.157 0.000 1.101 1254 F CA -0.631 57.438 58.000 0.115 0.000 1.251 1254 F CB 0.838 39.891 39.000 0.089 0.000 1.132 1254 F HN -0.159 nan 8.300 nan 0.000 0.570 1255 V N 2.302 122.422 119.914 0.343 0.000 2.490 1255 V HA -0.307 3.811 4.120 -0.004 0.000 0.250 1255 V C 1.989 178.295 176.094 0.354 0.000 1.061 1255 V CA 2.079 64.568 62.300 0.316 0.000 1.064 1255 V CB -0.674 31.260 31.823 0.185 0.000 0.670 1255 V HN 0.874 nan 8.190 nan 0.000 0.461 1256 N N -0.647 118.221 118.700 0.279 0.000 2.336 1256 N HA -0.060 4.678 4.740 -0.004 0.000 0.189 1256 N C 1.245 176.863 175.510 0.180 0.000 1.113 1256 N CA 0.916 54.089 53.050 0.205 0.000 0.858 1256 N CB 0.094 38.647 38.487 0.110 0.000 0.970 1256 N HN 0.412 nan 8.380 nan 0.000 0.471 1257 T N 1.007 115.704 114.554 0.238 0.000 2.985 1257 T HA 0.046 4.394 4.350 -0.004 0.000 0.266 1257 T C 1.774 176.630 174.700 0.261 0.000 1.076 1257 T CA 0.720 62.934 62.100 0.190 0.000 1.135 1257 T CB 0.006 69.047 68.868 0.289 0.000 0.890 1257 T HN 0.070 nan 8.240 nan 0.000 0.480 1258 M N 1.863 121.631 119.600 0.280 0.000 2.059 1258 M HA 0.063 4.540 4.480 -0.004 0.000 0.259 1258 M C 2.743 179.186 176.300 0.239 0.000 1.072 1258 M CA 1.669 57.096 55.300 0.212 0.000 1.117 1258 M CB -1.158 31.422 32.600 -0.034 0.000 1.320 1258 M HN 0.270 nan 8.290 nan 0.000 0.408 1259 A N 0.042 123.006 122.820 0.240 0.000 1.903 1259 A HA -0.171 4.147 4.320 -0.004 0.000 0.219 1259 A C 2.431 180.099 177.584 0.140 0.000 1.191 1259 A CA 2.639 54.792 52.037 0.193 0.000 0.638 1259 A CB -1.454 17.648 19.000 0.169 0.000 0.823 1259 A HN 0.535 nan 8.150 nan 0.000 0.451 1260 A N -1.508 121.357 122.820 0.075 0.000 1.873 1260 A HA -0.228 4.090 4.320 -0.004 0.000 0.218 1260 A C 2.027 179.591 177.584 -0.033 0.000 1.193 1260 A CA 1.563 53.571 52.037 -0.049 0.000 0.629 1260 A CB -1.132 17.751 19.000 -0.195 0.000 0.826 1260 A HN 0.773 nan 8.150 nan 0.000 0.447 1261 W N -0.436 120.917 121.300 0.088 0.000 2.350 1261 W HA -0.125 4.533 4.660 -0.004 0.000 0.289 1261 W C 2.253 178.845 176.519 0.121 0.000 1.215 1261 W CA 1.081 58.481 57.345 0.092 0.000 1.236 1261 W CB -0.266 29.234 29.460 0.068 0.000 1.130 1261 W HN 0.164 nan 8.180 nan 0.000 0.541 1262 V N 0.095 120.212 119.914 0.339 0.000 2.295 1262 V HA -0.339 3.779 4.120 -0.004 0.000 0.246 1262 V C 1.780 178.004 176.094 0.217 0.000 1.049 1262 V CA 2.330 64.793 62.300 0.272 0.000 1.024 1262 V CB -0.963 30.991 31.823 0.218 0.000 0.648 1262 V HN 0.217 nan 8.190 nan 0.000 0.447 1263 N N -0.496 118.305 118.700 0.170 0.000 2.270 1263 N HA -0.065 4.673 4.740 -0.004 0.000 0.181 1263 N C 1.656 177.254 175.510 0.146 0.000 1.016 1263 N CA 1.053 54.188 53.050 0.142 0.000 0.870 1263 N CB -0.110 38.437 38.487 0.099 0.000 0.979 1263 N HN 0.427 nan 8.380 nan 0.000 0.431 1264 M N -0.712 118.972 119.600 0.140 0.000 2.595 1264 M HA 0.087 4.565 4.480 -0.004 0.000 0.248 1264 M C 0.770 177.206 176.300 0.228 0.000 1.119 1264 M CA 0.670 56.049 55.300 0.132 0.000 1.079 1264 M CB 0.414 33.012 32.600 -0.004 0.000 1.472 1264 M HN 0.157 nan 8.290 nan 0.000 0.501 1265 L N -1.626 119.755 121.223 0.263 0.000 2.803 1265 L HA 0.230 4.568 4.340 -0.004 0.000 0.246 1265 L C 1.354 178.296 176.870 0.120 0.000 1.100 1265 L CA 0.040 55.037 54.840 0.262 0.000 0.919 1265 L CB 0.516 42.824 42.059 0.415 0.000 1.285 1265 L HN 0.253 nan 8.230 nan 0.000 0.522 1266 L N -1.283 120.001 121.223 0.101 0.000 3.147 1266 L HA 0.242 4.580 4.340 -0.004 0.000 0.166 1266 L C 0.042 176.960 176.870 0.079 0.000 1.146 1266 L CA -0.298 54.540 54.840 -0.002 0.000 0.858 1266 L CB 0.265 42.312 42.059 -0.020 0.000 1.500 1266 L HN -0.108 nan 8.230 nan 0.000 0.547 1267 L N 1.767 123.086 121.223 0.160 0.000 2.295 1267 L HA 0.223 4.560 4.340 -0.004 0.000 0.288 1267 L C 0.342 177.401 176.870 0.316 0.000 1.079 1267 L CA -0.253 54.745 54.840 0.263 0.000 0.830 1267 L CB 0.612 42.781 42.059 0.184 0.000 1.200 1267 L HN 0.216 nan 8.230 nan 0.000 0.438 1268 S N 0.175 116.147 115.700 0.454 0.000 3.324 1268 S HA 0.127 4.594 4.470 -0.004 0.000 0.229 1268 S C 0.568 175.301 174.600 0.222 0.000 1.417 1268 S CA -0.726 57.662 58.200 0.314 0.000 1.211 1268 S CB -0.552 62.819 63.200 0.285 0.000 1.157 1268 S HN 0.695 nan 8.310 nan 0.000 0.491 1269 S N 0.920 116.751 115.700 0.219 0.000 2.586 1269 S HA 0.375 4.842 4.470 -0.004 0.000 0.274 1269 S C 0.781 175.370 174.600 -0.018 0.000 1.281 1269 S CA -0.195 58.071 58.200 0.111 0.000 1.035 1269 S CB 1.142 64.456 63.200 0.191 0.000 0.962 1269 S HN 0.532 nan 8.310 nan 0.000 0.512 1270 T N 0.487 114.935 114.554 -0.176 0.000 3.273 1270 T HA 0.390 4.738 4.350 -0.004 0.000 0.254 1270 T C 0.920 175.562 174.700 -0.098 0.000 1.002 1270 T CA -0.162 61.831 62.100 -0.179 0.000 0.913 1270 T CB -0.869 67.746 68.868 -0.422 0.000 1.056 1270 T HN 0.848 nan 8.240 nan 0.000 0.576 1271 G N 2.308 111.081 108.800 -0.046 0.000 2.583 1271 G HA2 0.495 4.453 3.960 -0.004 0.000 0.275 1271 G HA3 0.495 4.453 3.960 -0.004 0.000 0.275 1271 G C -2.513 172.384 174.900 -0.005 0.000 1.342 1271 G CA -1.187 43.903 45.100 -0.017 0.000 1.030 1271 G HN 0.357 nan 8.290 nan 0.000 0.520 1272 P HA 0.463 nan 4.420 nan 0.000 0.278 1272 P C -0.616 176.693 177.300 0.014 0.000 1.266 1272 P CA -0.409 62.694 63.100 0.005 0.000 0.807 1272 P CB 0.951 32.653 31.700 0.003 0.000 1.094 1273 I N -0.865 119.715 120.570 0.017 0.000 2.649 1273 I HA 0.361 4.528 4.170 -0.004 0.000 0.275 1273 I C -0.407 175.726 176.117 0.027 0.000 1.153 1273 I CA -0.440 60.877 61.300 0.028 0.000 1.069 1273 I CB 1.162 39.179 38.000 0.027 0.000 1.227 1273 I HN -0.041 nan 8.210 nan 0.000 0.505 1274 K N 3.833 124.251 120.400 0.029 0.000 2.316 1274 K HA 0.542 4.860 4.320 -0.004 0.000 0.267 1274 K C -0.214 176.409 176.600 0.037 0.000 1.025 1274 K CA -0.370 55.934 56.287 0.028 0.000 0.896 1274 K CB 1.443 33.956 32.500 0.022 0.000 1.124 1274 K HN 0.613 nan 8.250 nan 0.000 0.451 1275 T N 1.263 115.841 114.554 0.041 0.000 2.786 1275 T HA 0.576 4.923 4.350 -0.004 0.000 0.283 1275 T C -2.493 172.227 174.700 0.033 0.000 0.992 1275 T CA -2.055 60.075 62.100 0.050 0.000 0.954 1275 T CB 1.359 70.275 68.868 0.080 0.000 0.934 1275 T HN 0.192 nan 8.240 nan 0.000 0.440 1276 P HA 0.602 nan 4.420 nan 0.000 0.299 1276 P C -1.114 176.171 177.300 -0.026 0.000 1.323 1276 P CA -0.930 62.168 63.100 -0.004 0.000 0.896 1276 P CB 1.673 33.366 31.700 -0.011 0.000 1.081 1277 V N 2.141 122.046 119.914 -0.014 0.000 2.250 1277 V HA 0.445 4.563 4.120 -0.004 0.000 0.268 1277 V C 1.050 177.138 176.094 -0.010 0.000 1.043 1277 V CA -0.170 62.117 62.300 -0.021 0.000 0.814 1277 V CB 0.819 32.641 31.823 -0.002 0.000 1.072 1277 V HN 0.866 nan 8.190 nan 0.000 0.451 1278 G N 2.580 111.369 108.800 -0.019 0.000 3.820 1278 G HA2 0.545 4.503 3.960 -0.004 0.000 0.293 1278 G HA3 0.545 4.503 3.960 -0.004 0.000 0.293 1278 G C 0.836 175.751 174.900 0.025 0.000 1.152 1278 G CA 0.639 45.737 45.100 -0.003 0.000 0.921 1278 G HN 1.066 nan 8.290 nan 0.000 0.544 1279 A N -0.392 122.450 122.820 0.036 0.000 5.568 1279 A HA -0.363 3.954 4.320 -0.004 0.000 0.322 1279 A C 2.229 179.873 177.584 0.100 0.000 1.802 1279 A CA 1.467 53.553 52.037 0.081 0.000 0.727 1279 A CB -1.541 17.569 19.000 0.184 0.000 1.362 1279 A HN 0.971 nan 8.150 nan 0.000 0.396 1280 C N -0.439 118.986 119.300 0.208 0.000 2.400 1280 C HA 0.172 4.630 4.460 -0.004 0.000 0.291 1280 C C 2.636 177.709 174.990 0.138 0.000 1.372 1280 C CA 1.555 60.732 59.018 0.265 0.000 1.800 1280 C CB -2.005 26.012 27.740 0.461 0.000 1.869 1280 C HN 1.475 nan 8.230 nan 0.000 0.533 1281 A N 0.422 123.261 122.820 0.032 0.000 2.470 1281 A HA 0.165 4.483 4.320 -0.004 0.000 0.251 1281 A C 1.979 179.527 177.584 -0.060 0.000 1.245 1281 A CA 0.922 52.920 52.037 -0.064 0.000 0.932 1281 A CB -0.569 18.346 19.000 -0.142 0.000 1.037 1281 A HN 0.597 nan 8.150 nan 0.000 0.522 1282 T N -1.512 113.015 114.554 -0.044 0.000 2.653 1282 T HA -0.226 4.122 4.350 -0.004 0.000 0.268 1282 T C 1.934 176.597 174.700 -0.062 0.000 1.035 1282 T CA 1.994 64.056 62.100 -0.062 0.000 1.154 1282 T CB -0.720 68.088 68.868 -0.099 0.000 0.862 1282 T HN 0.696 nan 8.240 nan 0.000 0.441 1283 A N 0.768 123.551 122.820 -0.063 0.000 1.986 1283 A HA 0.022 4.339 4.320 -0.004 0.000 0.220 1283 A C 2.650 180.218 177.584 -0.027 0.000 1.171 1283 A CA 1.951 53.964 52.037 -0.041 0.000 0.640 1283 A CB -1.022 17.953 19.000 -0.042 0.000 0.811 1283 A HN 0.498 nan 8.150 nan 0.000 0.451 1284 V N -0.459 119.425 119.914 -0.049 0.000 2.331 1284 V HA -0.186 3.931 4.120 -0.004 0.000 0.242 1284 V C 2.436 178.496 176.094 -0.056 0.000 1.034 1284 V CA 1.804 64.069 62.300 -0.059 0.000 1.027 1284 V CB -0.701 31.062 31.823 -0.100 0.000 0.667 1284 V HN 0.774 nan 8.190 nan 0.000 0.457 1285 E N 0.269 120.431 120.200 -0.063 0.000 2.187 1285 E HA -0.314 4.033 4.350 -0.004 0.000 0.199 1285 E C 2.327 178.917 176.600 -0.017 0.000 1.004 1285 E CA 1.756 58.128 56.400 -0.046 0.000 0.813 1285 E CB -0.157 29.516 29.700 -0.044 0.000 0.736 1285 E HN 0.539 nan 8.360 nan 0.000 0.468 1286 S N -0.084 115.608 115.700 -0.014 0.000 2.348 1286 S HA -0.170 4.297 4.470 -0.004 0.000 0.221 1286 S C 2.008 176.625 174.600 0.029 0.000 1.033 1286 S CA 1.133 59.339 58.200 0.010 0.000 1.010 1286 S CB -0.368 62.838 63.200 0.009 0.000 0.891 1286 S HN 0.376 nan 8.310 nan 0.000 0.442 1287 L N 2.620 123.855 121.223 0.020 0.000 2.013 1287 L HA -0.135 4.203 4.340 -0.004 0.000 0.212 1287 L C 2.262 179.165 176.870 0.054 0.000 1.073 1287 L CA 2.717 57.577 54.840 0.033 0.000 0.753 1287 L CB -1.060 41.000 42.059 0.003 0.000 0.890 1287 L HN 0.468 nan 8.230 nan 0.000 0.432 1288 D N -0.819 119.591 120.400 0.017 0.000 2.106 1288 D HA -0.196 4.441 4.640 -0.004 0.000 0.191 1288 D C 2.066 178.444 176.300 0.129 0.000 0.997 1288 D CA 2.161 56.191 54.000 0.050 0.000 0.834 1288 D CB -0.126 40.674 40.800 -0.000 0.000 0.956 1288 D HN 0.265 nan 8.370 nan 0.000 0.448 1289 V N 1.112 121.071 119.914 0.075 0.000 2.252 1289 V HA -0.219 3.899 4.120 -0.004 0.000 0.249 1289 V C 2.748 178.888 176.094 0.077 0.000 1.056 1289 V CA 2.239 64.579 62.300 0.066 0.000 1.022 1289 V CB -1.158 30.689 31.823 0.040 0.000 0.641 1289 V HN 0.423 nan 8.190 nan 0.000 0.445 1290 G N -1.836 107.014 108.800 0.084 0.000 2.418 1290 G HA2 -0.339 3.618 3.960 -0.004 0.000 0.217 1290 G HA3 -0.339 3.618 3.960 -0.004 0.000 0.217 1290 G C 1.480 176.441 174.900 0.101 0.000 1.158 1290 G CA 1.180 46.326 45.100 0.077 0.000 0.771 1290 G HN 0.565 nan 8.290 nan 0.000 0.545 1291 Y N 2.009 122.315 120.300 0.009 0.000 2.030 1291 Y HA -0.214 4.334 4.550 -0.004 0.000 0.274 1291 Y C 2.558 178.462 175.900 0.008 0.000 1.153 1291 Y CA 2.330 60.437 58.100 0.013 0.000 1.115 1291 Y CB -0.401 38.068 38.460 0.017 0.000 0.969 1291 Y HN 0.205 nan 8.280 nan 0.000 0.488 1292 D N -0.624 119.806 120.400 0.049 0.000 2.106 1292 D HA -0.203 4.435 4.640 -0.004 0.000 0.191 1292 D C 2.218 178.460 176.300 -0.097 0.000 0.997 1292 D CA 2.230 56.188 54.000 -0.069 0.000 0.834 1292 D CB -0.852 39.972 40.800 0.041 0.000 0.956 1292 D HN 0.402 nan 8.370 nan 0.000 0.448 1293 T N 0.745 115.277 114.554 -0.036 0.000 2.699 1293 T HA -0.134 4.213 4.350 -0.004 0.000 0.268 1293 T C 2.070 176.734 174.700 -0.060 0.000 1.036 1293 T CA 0.691 62.771 62.100 -0.035 0.000 1.147 1293 T CB -0.213 68.652 68.868 -0.005 0.000 0.862 1293 T HN 0.173 nan 8.240 nan 0.000 0.446 1294 I N 0.505 121.028 120.570 -0.079 0.000 2.353 1294 I HA -0.049 4.118 4.170 -0.004 0.000 0.248 1294 I C 1.982 178.024 176.117 -0.125 0.000 1.119 1294 I CA 1.075 62.325 61.300 -0.084 0.000 1.417 1294 I CB -0.267 37.693 38.000 -0.066 0.000 1.078 1294 I HN 0.285 nan 8.210 nan 0.000 0.421 1295 M N 0.061 119.533 119.600 -0.214 0.000 2.691 1295 M HA -0.040 4.438 4.480 -0.004 0.000 0.227 1295 M C 0.815 177.020 176.300 -0.158 0.000 1.120 1295 M CA 0.805 55.968 55.300 -0.227 0.000 1.034 1295 M CB -0.052 32.315 32.600 -0.388 0.000 1.675 1295 M HN 0.273 nan 8.290 nan 0.000 0.514 1296 Q N -0.587 119.144 119.800 -0.116 0.000 2.139 1296 Q HA 0.222 4.559 4.340 -0.004 0.000 0.219 1296 Q C 1.081 177.044 176.000 -0.062 0.000 0.805 1296 Q CA 0.313 56.065 55.803 -0.085 0.000 1.024 1296 Q CB 1.472 30.167 28.738 -0.072 0.000 1.163 1296 Q HN 0.694 nan 8.270 nan 0.000 0.485 1297 G N 1.646 110.412 108.800 -0.058 0.000 2.205 1297 G HA2 -0.320 3.638 3.960 -0.004 0.000 0.261 1297 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.261 1297 G C 1.148 176.034 174.900 -0.023 0.000 0.980 1297 G CA 0.653 45.730 45.100 -0.038 0.000 0.632 1297 G HN 0.220 nan 8.290 nan 0.000 0.533 1298 K N 0.232 120.616 120.400 -0.027 0.000 2.097 1298 K HA 0.301 4.619 4.320 -0.004 0.000 0.206 1298 K C 1.262 177.858 176.600 -0.006 0.000 1.049 1298 K CA 1.633 57.911 56.287 -0.015 0.000 0.933 1298 K CB -0.095 32.394 32.500 -0.018 0.000 0.717 1298 K HN 1.270 nan 8.250 nan 0.000 0.442 1299 A N 0.028 122.841 122.820 -0.012 0.000 2.609 1299 A HA 0.575 4.892 4.320 -0.004 0.000 0.291 1299 A C 0.097 177.676 177.584 -0.008 0.000 1.096 1299 A CA -0.693 51.340 52.037 -0.007 0.000 0.684 1299 A CB 1.425 20.415 19.000 -0.017 0.000 1.282 1299 A HN 0.038 nan 8.150 nan 0.000 0.412 1300 R N -0.544 119.956 120.500 -0.000 0.000 2.257 1300 R HA 0.328 4.665 4.340 -0.004 0.000 0.195 1300 R C 0.142 176.436 176.300 -0.010 0.000 0.921 1300 R CA 0.608 56.712 56.100 0.008 0.000 1.069 1300 R CB 0.983 31.309 30.300 0.044 0.000 1.115 1300 R HN 0.489 nan 8.270 nan 0.000 0.571 1301 V N -0.463 119.410 119.914 -0.069 0.000 3.019 1301 V HA 0.572 4.690 4.120 -0.004 0.000 0.317 1301 V C -1.394 174.609 176.094 -0.151 0.000 1.094 1301 V CA -0.553 61.657 62.300 -0.149 0.000 1.000 1301 V CB 2.101 33.678 31.823 -0.409 0.000 1.060 1301 V HN 0.270 nan 8.190 nan 0.000 0.443 1302 C N 5.189 124.412 119.300 -0.128 0.000 3.178 1302 C HA 0.394 4.851 4.460 -0.004 0.000 0.428 1302 C C -1.004 173.974 174.990 -0.020 0.000 0.967 1302 C CA -0.974 58.005 59.018 -0.065 0.000 1.205 1302 C CB 0.186 27.916 27.740 -0.016 0.000 1.584 1302 C HN 0.954 nan 8.230 nan 0.000 0.591 1303 L N 5.252 126.473 121.223 -0.004 0.000 2.349 1303 L HA 0.745 5.083 4.340 -0.004 0.000 0.275 1303 L C -0.101 176.811 176.870 0.069 0.000 1.115 1303 L CA -0.080 54.788 54.840 0.048 0.000 0.820 1303 L CB 1.361 43.462 42.059 0.070 0.000 1.135 1303 L HN 0.453 nan 8.230 nan 0.000 0.445 1304 V N 1.791 121.755 119.914 0.084 0.000 2.971 1304 V HA 0.949 5.066 4.120 -0.004 0.000 0.309 1304 V C 0.090 176.245 176.094 0.101 0.000 1.130 1304 V CA -0.168 62.182 62.300 0.084 0.000 0.964 1304 V CB 2.041 33.906 31.823 0.070 0.000 1.029 1304 V HN 0.996 nan 8.190 nan 0.000 0.427 1305 G N 1.857 110.716 108.800 0.099 0.000 2.327 1305 G HA2 0.618 4.575 3.960 -0.004 0.000 0.291 1305 G HA3 0.618 4.575 3.960 -0.004 0.000 0.291 1305 G C -0.698 174.250 174.900 0.080 0.000 1.290 1305 G CA 0.203 45.369 45.100 0.111 0.000 0.857 1305 G HN 1.339 nan 8.290 nan 0.000 0.520 1306 G N -1.402 107.447 108.800 0.081 0.000 2.690 1306 G HA2 1.020 4.977 3.960 -0.004 0.000 0.291 1306 G HA3 1.020 4.977 3.960 -0.004 0.000 0.291 1306 G C -1.108 173.841 174.900 0.081 0.000 1.403 1306 G CA -0.035 45.041 45.100 -0.040 0.000 0.864 1306 G HN 1.762 nan 8.290 nan 0.000 0.480 1307 F N -1.224 118.752 119.950 0.042 0.000 2.686 1307 F HA 0.879 5.403 4.527 -0.004 0.000 0.311 1307 F C -1.572 174.268 175.800 0.066 0.000 1.128 1307 F CA -1.125 56.914 58.000 0.065 0.000 0.946 1307 F CB 2.336 41.425 39.000 0.147 0.000 1.336 1307 F HN 0.520 nan 8.300 nan 0.000 0.457 1308 D N 0.028 120.664 120.400 0.394 0.000 2.783 1308 D HA 0.275 4.912 4.640 -0.004 0.000 0.253 1308 D C -2.177 174.317 176.300 0.323 0.000 1.206 1308 D CA -0.256 53.934 54.000 0.316 0.000 0.740 1308 D CB 2.309 43.191 40.800 0.136 0.000 1.313 1308 D HN 0.711 nan 8.370 nan 0.000 0.427 1309 D N -0.300 120.293 120.400 0.321 0.000 2.449 1309 D HA 0.515 5.153 4.640 -0.004 0.000 0.250 1309 D C -1.128 175.393 176.300 0.368 0.000 1.050 1309 D CA -0.463 53.758 54.000 0.369 0.000 1.024 1309 D CB 1.206 42.220 40.800 0.356 0.000 1.218 1309 D HN 0.148 nan 8.370 nan 0.000 0.566 1310 F N 1.576 121.703 119.950 0.296 0.000 2.415 1310 F HA 0.410 4.934 4.527 -0.004 0.000 0.348 1310 F C -0.505 175.407 175.800 0.187 0.000 1.119 1310 F CA -0.145 57.996 58.000 0.236 0.000 1.069 1310 F CB 0.774 39.925 39.000 0.253 0.000 1.124 1310 F HN 0.049 nan 8.300 nan 0.000 0.472 1311 Q N 4.710 124.043 119.800 -0.778 0.000 2.389 1311 Q HA 0.095 4.432 4.340 -0.004 0.000 0.277 1311 Q C 0.596 176.033 176.000 -0.937 0.000 1.082 1311 Q CA -0.525 54.895 55.803 -0.638 0.000 0.810 1311 Q CB 2.225 30.801 28.738 -0.269 0.000 1.374 1311 Q HN 0.927 nan 8.270 nan 0.000 0.422 1312 E N 1.885 121.531 120.200 -0.924 0.000 2.097 1312 E HA -0.244 4.104 4.350 -0.004 0.000 0.196 1312 E C 0.655 176.922 176.600 -0.555 0.000 1.000 1312 E CA 1.799 57.526 56.400 -1.121 0.000 0.804 1312 E CB 0.454 29.549 29.700 -1.007 0.000 0.740 1312 E HN 0.532 nan 8.360 nan 0.000 0.454 1313 E N -0.270 119.692 120.200 -0.397 0.000 2.112 1313 E HA -0.079 4.268 4.350 -0.004 0.000 0.190 1313 E C 2.177 178.647 176.600 -0.217 0.000 0.979 1313 E CA 0.887 57.127 56.400 -0.266 0.000 0.814 1313 E CB -0.350 29.214 29.700 -0.227 0.000 0.762 1313 E HN 0.407 nan 8.360 nan 0.000 0.460 1314 G N 1.612 110.258 108.800 -0.256 0.000 2.453 1314 G HA2 -0.309 3.648 3.960 -0.004 0.000 0.215 1314 G HA3 -0.309 3.648 3.960 -0.004 0.000 0.215 1314 G C 1.754 176.608 174.900 -0.076 0.000 1.201 1314 G CA 1.130 46.096 45.100 -0.222 0.000 0.784 1314 G HN 0.343 nan 8.290 nan 0.000 0.545 1315 S N -0.672 115.005 115.700 -0.038 0.000 2.374 1315 S HA -0.219 4.249 4.470 -0.004 0.000 0.227 1315 S C 2.103 176.941 174.600 0.396 0.000 1.037 1315 S CA 1.791 60.145 58.200 0.257 0.000 1.024 1315 S CB -0.468 62.872 63.200 0.233 0.000 0.861 1315 S HN 0.487 nan 8.310 nan 0.000 0.456 1316 Y N 1.419 121.770 120.300 0.086 0.000 2.242 1316 Y HA -0.037 4.510 4.550 -0.004 0.000 0.291 1316 Y C 2.399 178.295 175.900 -0.005 0.000 1.137 1316 Y CA 1.978 60.027 58.100 -0.085 0.000 1.181 1316 Y CB -0.214 37.971 38.460 -0.457 0.000 0.989 1316 Y HN 0.243 nan 8.280 nan 0.000 0.527 1317 E N -0.120 120.116 120.200 0.060 0.000 2.046 1317 E HA -0.149 4.198 4.350 -0.004 0.000 0.190 1317 E C 1.985 178.546 176.600 -0.064 0.000 0.982 1317 E CA 1.411 57.772 56.400 -0.065 0.000 0.800 1317 E CB -0.713 28.854 29.700 -0.222 0.000 0.756 1317 E HN 0.551 nan 8.360 nan 0.000 0.449 1318 F N 0.382 120.351 119.950 0.033 0.000 2.161 1318 F HA -0.237 4.288 4.527 -0.004 0.000 0.300 1318 F C 2.266 178.084 175.800 0.030 0.000 1.089 1318 F CA 0.839 58.870 58.000 0.052 0.000 1.282 1318 F CB -0.247 38.789 39.000 0.061 0.000 1.010 1318 F HN 0.099 nan 8.300 nan 0.000 0.485 1319 A N 0.294 123.245 122.820 0.217 0.000 1.940 1319 A HA -0.258 4.059 4.320 -0.004 0.000 0.219 1319 A C 1.785 179.394 177.584 0.041 0.000 1.176 1319 A CA 2.228 54.328 52.037 0.106 0.000 0.631 1319 A CB -0.958 18.154 19.000 0.188 0.000 0.814 1319 A HN 0.427 nan 8.150 nan 0.000 0.446 1320 N N -0.691 118.005 118.700 -0.007 0.000 2.309 1320 N HA -0.039 4.699 4.740 -0.004 0.000 0.182 1320 N C 1.687 177.222 175.510 0.042 0.000 1.018 1320 N CA 1.514 54.553 53.050 -0.019 0.000 0.876 1320 N CB -0.217 38.243 38.487 -0.044 0.000 0.972 1320 N HN 0.530 nan 8.380 nan 0.000 0.434 1321 M N -2.000 117.660 119.600 0.101 0.000 2.334 1321 M HA 0.177 4.655 4.480 -0.004 0.000 0.266 1321 M C 1.119 177.508 176.300 0.149 0.000 1.082 1321 M CA 0.998 56.391 55.300 0.154 0.000 1.141 1321 M CB 0.277 33.038 32.600 0.269 0.000 1.380 1321 M HN 0.274 nan 8.290 nan 0.000 0.440 1322 G N -0.223 108.659 108.800 0.136 0.000 2.154 1322 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.186 1322 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.186 1322 G C 0.788 175.746 174.900 0.095 0.000 1.000 1322 G CA 0.303 45.453 45.100 0.083 0.000 0.664 1322 G HN 0.494 nan 8.290 nan 0.000 0.513 1323 A N -0.128 122.796 122.820 0.174 0.000 1.903 1323 A HA 0.445 4.762 4.320 -0.004 0.000 0.213 1323 A C 1.819 179.326 177.584 -0.129 0.000 1.185 1323 A CA 2.252 54.429 52.037 0.234 0.000 0.628 1323 A CB -0.602 18.767 19.000 0.616 0.000 0.830 1323 A HN 1.478 nan 8.150 nan 0.000 0.446 1324 T N -0.168 114.141 114.554 -0.409 0.000 2.788 1324 T HA 0.442 4.789 4.350 -0.004 0.000 0.287 1324 T C 0.313 174.814 174.700 -0.332 0.000 1.007 1324 T CA 0.020 61.703 62.100 -0.694 0.000 1.005 1324 T CB 0.950 69.477 68.868 -0.569 0.000 1.012 1324 T HN 0.534 nan 8.240 nan 0.000 0.530 1325 S N 1.093 116.605 115.700 -0.313 0.000 2.480 1325 S HA 0.262 4.729 4.470 -0.004 0.000 0.286 1325 S C 0.036 174.522 174.600 -0.189 0.000 1.180 1325 S CA -1.058 57.025 58.200 -0.195 0.000 1.075 1325 S CB 0.478 63.580 63.200 -0.165 0.000 0.996 1325 S HN 0.713 nan 8.310 nan 0.000 0.487 1326 N N 2.348 120.957 118.700 -0.153 0.000 2.400 1326 N HA 0.131 4.868 4.740 -0.004 0.000 0.278 1326 N C 1.264 176.697 175.510 -0.129 0.000 1.247 1326 N CA 0.225 53.185 53.050 -0.149 0.000 0.970 1326 N CB 0.684 39.106 38.487 -0.109 0.000 1.312 1326 N HN 0.798 nan 8.380 nan 0.000 0.488 1327 A N 5.028 127.769 122.820 -0.131 0.000 1.892 1327 A HA -0.207 4.111 4.320 -0.004 0.000 0.218 1327 A C 2.128 179.775 177.584 0.106 0.000 1.188 1327 A CA 1.487 53.476 52.037 -0.080 0.000 0.631 1327 A CB -0.330 18.680 19.000 0.018 0.000 0.822 1327 A HN 0.736 nan 8.150 nan 0.000 0.447 1328 K N -0.585 119.885 120.400 0.117 0.000 2.063 1328 K HA -0.185 4.132 4.320 -0.004 0.000 0.208 1328 K C 2.045 178.698 176.600 0.088 0.000 1.048 1328 K CA 1.820 58.191 56.287 0.141 0.000 0.928 1328 K CB -0.157 32.357 32.500 0.023 0.000 0.713 1328 K HN 0.657 nan 8.250 nan 0.000 0.442 1329 E N 0.064 120.267 120.200 0.004 0.000 2.107 1329 E HA -0.152 4.195 4.350 -0.004 0.000 0.191 1329 E C 1.859 178.429 176.600 -0.050 0.000 0.982 1329 E CA 0.738 57.120 56.400 -0.030 0.000 0.809 1329 E CB 0.145 29.814 29.700 -0.053 0.000 0.756 1329 E HN 0.312 nan 8.360 nan 0.000 0.459 1330 E N -0.063 120.083 120.200 -0.091 0.000 2.152 1330 E HA -0.102 4.246 4.350 -0.004 0.000 0.192 1330 E C 1.710 178.203 176.600 -0.179 0.000 0.983 1330 E CA 0.452 56.754 56.400 -0.163 0.000 0.818 1330 E CB -0.009 29.545 29.700 -0.243 0.000 0.758 1330 E HN 0.251 nan 8.360 nan 0.000 0.467 1331 F N 0.879 120.778 119.950 -0.085 0.000 2.234 1331 F HA -0.136 4.388 4.527 -0.004 0.000 0.299 1331 F C 2.380 178.111 175.800 -0.115 0.000 1.087 1331 F CA 0.788 58.735 58.000 -0.089 0.000 1.340 1331 F CB -0.024 38.925 39.000 -0.085 0.000 1.031 1331 F HN 0.018 nan 8.300 nan 0.000 0.500 1332 A N -0.162 122.693 122.820 0.059 0.000 2.172 1332 A HA -0.085 4.233 4.320 -0.004 0.000 0.216 1332 A C 1.934 179.451 177.584 -0.111 0.000 1.154 1332 A CA 0.891 52.903 52.037 -0.043 0.000 0.701 1332 A CB -0.454 18.515 19.000 -0.052 0.000 0.789 1332 A HN 0.330 nan 8.150 nan 0.000 0.465 1333 R N -1.541 118.896 120.500 -0.105 0.000 2.393 1333 R HA 0.244 4.582 4.340 -0.004 0.000 0.244 1333 R C 1.074 177.283 176.300 -0.152 0.000 0.920 1333 R CA 0.485 56.503 56.100 -0.136 0.000 1.076 1333 R CB 0.183 30.420 30.300 -0.105 0.000 1.119 1333 R HN 0.599 nan 8.270 nan 0.000 0.524 1334 G N 1.789 110.492 108.800 -0.162 0.000 2.143 1334 G HA2 -0.251 3.707 3.960 -0.004 0.000 0.249 1334 G HA3 -0.251 3.707 3.960 -0.004 0.000 0.249 1334 G C 0.053 174.965 174.900 0.019 0.000 0.981 1334 G CA -0.238 44.740 45.100 -0.203 0.000 0.665 1334 G HN 0.079 nan 8.290 nan 0.000 0.528 1335 R N 0.741 121.217 120.500 -0.039 0.000 2.615 1335 R HA 0.501 4.838 4.340 -0.004 0.000 0.270 1335 R C 0.553 176.785 176.300 -0.114 0.000 1.081 1335 R CA -0.048 56.010 56.100 -0.070 0.000 1.154 1335 R CB 0.439 30.635 30.300 -0.173 0.000 1.063 1335 R HN 0.598 nan 8.270 nan 0.000 0.519 1336 E N 2.047 122.200 120.200 -0.079 0.000 2.221 1336 E HA 0.323 4.671 4.350 -0.004 0.000 0.268 1336 E C -2.316 174.197 176.600 -0.145 0.000 0.933 1336 E CA -2.106 54.263 56.400 -0.053 0.000 0.809 1336 E CB 1.348 31.071 29.700 0.039 0.000 1.190 1336 E HN 0.178 nan 8.360 nan 0.000 0.406 1337 P HA -0.032 nan 4.420 nan 0.000 0.261 1337 P C 0.485 177.771 177.300 -0.023 0.000 1.203 1337 P CA 0.986 64.030 63.100 -0.092 0.000 0.767 1337 P CB 0.320 32.031 31.700 0.017 0.000 0.785 1338 G N 3.541 112.331 108.800 -0.017 0.000 2.561 1338 G HA2 -0.246 3.711 3.960 -0.004 0.000 0.203 1338 G HA3 -0.246 3.711 3.960 -0.004 0.000 0.203 1338 G C 1.096 176.035 174.900 0.066 0.000 1.101 1338 G CA 0.131 45.267 45.100 0.059 0.000 0.711 1338 G HN 0.516 nan 8.290 nan 0.000 0.511 1339 E N 0.677 120.893 120.200 0.027 0.000 2.515 1339 E HA 0.077 4.424 4.350 -0.004 0.000 0.201 1339 E C 2.411 179.002 176.600 -0.016 0.000 1.071 1339 E CA 0.731 57.141 56.400 0.017 0.000 0.880 1339 E CB -0.243 29.465 29.700 0.013 0.000 0.828 1339 E HN 0.549 nan 8.360 nan 0.000 0.540 1340 M N -0.024 119.549 119.600 -0.046 0.000 2.229 1340 M HA -0.040 4.438 4.480 -0.004 0.000 0.264 1340 M C 1.344 177.622 176.300 -0.037 0.000 1.063 1340 M CA 0.671 55.917 55.300 -0.090 0.000 1.114 1340 M CB -0.233 32.284 32.600 -0.138 0.000 1.387 1340 M HN -0.065 nan 8.290 nan 0.000 0.420 1341 S N 2.148 117.862 115.700 0.023 0.000 2.461 1341 S HA 0.368 4.835 4.470 -0.004 0.000 0.322 1341 S C -0.188 174.461 174.600 0.082 0.000 1.063 1341 S CA -0.792 57.445 58.200 0.063 0.000 1.120 1341 S CB 0.227 63.493 63.200 0.110 0.000 0.968 1341 S HN 0.388 nan 8.310 nan 0.000 0.467 1342 R N 4.276 124.791 120.500 0.026 0.000 2.443 1342 R HA 0.342 4.679 4.340 -0.004 0.000 0.287 1342 R C -2.878 173.374 176.300 -0.081 0.000 1.425 1342 R CA -1.804 54.286 56.100 -0.016 0.000 1.300 1342 R CB 0.751 31.029 30.300 -0.038 0.000 1.129 1342 R HN 0.267 nan 8.270 nan 0.000 0.577 1343 P HA -0.187 nan 4.420 nan 0.000 0.216 1343 P C 0.751 177.807 177.300 -0.406 0.000 1.154 1343 P CA 1.827 64.803 63.100 -0.206 0.000 0.865 1343 P CB 0.280 31.858 31.700 -0.204 0.000 0.789 1344 T N -5.243 108.981 114.554 -0.550 0.000 3.044 1344 T HA 0.180 4.528 4.350 -0.004 0.000 0.260 1344 T C 0.824 175.310 174.700 -0.357 0.000 1.019 1344 T CA -0.298 61.446 62.100 -0.593 0.000 0.921 1344 T CB -0.348 67.951 68.868 -0.948 0.000 1.053 1344 T HN -0.035 nan 8.240 nan 0.000 0.533 1345 S N 1.588 117.147 115.700 -0.235 0.000 2.572 1345 S HA 0.070 4.538 4.470 -0.004 0.000 0.267 1345 S C 1.595 176.130 174.600 -0.107 0.000 1.361 1345 S CA 0.107 58.226 58.200 -0.135 0.000 1.009 1345 S CB 0.417 63.567 63.200 -0.084 0.000 0.888 1345 S HN 0.418 nan 8.310 nan 0.000 0.553 1346 T N 1.927 116.440 114.554 -0.068 0.000 2.857 1346 T HA -0.044 4.303 4.350 -0.004 0.000 0.266 1346 T C 1.696 176.365 174.700 -0.051 0.000 1.048 1346 T CA 1.588 63.658 62.100 -0.051 0.000 1.139 1346 T CB -0.592 68.256 68.868 -0.034 0.000 0.874 1346 T HN 0.789 nan 8.240 nan 0.000 0.455 1347 T N 2.130 116.651 114.554 -0.054 0.000 3.148 1347 T HA 0.061 4.408 4.350 -0.004 0.000 0.253 1347 T C 0.887 175.555 174.700 -0.053 0.000 1.134 1347 T CA -0.284 61.784 62.100 -0.054 0.000 1.051 1347 T CB -0.395 68.441 68.868 -0.055 0.000 0.959 1347 T HN 0.558 nan 8.240 nan 0.000 0.525 1348 R N 2.738 123.203 120.500 -0.058 0.000 2.537 1348 R HA 0.080 4.417 4.340 -0.004 0.000 0.281 1348 R C 0.340 176.615 176.300 -0.041 0.000 0.988 1348 R CA 0.586 56.654 56.100 -0.053 0.000 1.077 1348 R CB 0.128 30.387 30.300 -0.068 0.000 0.932 1348 R HN 0.293 nan 8.270 nan 0.000 0.409 1349 N N 2.105 120.784 118.700 -0.036 0.000 2.594 1349 N HA 0.186 4.924 4.740 -0.004 0.000 0.237 1349 N C 0.132 175.633 175.510 -0.015 0.000 1.057 1349 N CA 0.381 53.413 53.050 -0.031 0.000 0.883 1349 N CB 0.476 38.934 38.487 -0.047 0.000 1.538 1349 N HN 0.670 nan 8.380 nan 0.000 0.451 1350 G N -0.667 108.121 108.800 -0.020 0.000 2.684 1350 G HA2 0.517 4.475 3.960 -0.004 0.000 0.290 1350 G HA3 0.517 4.475 3.960 -0.004 0.000 0.290 1350 G C -1.411 173.500 174.900 0.018 0.000 1.425 1350 G CA -0.979 44.117 45.100 -0.007 0.000 0.822 1350 G HN 0.251 nan 8.290 nan 0.000 0.482 1351 F N -0.736 119.192 119.950 -0.037 0.000 2.375 1351 F HA 0.878 5.403 4.527 -0.004 0.000 0.317 1351 F C 0.003 175.774 175.800 -0.048 0.000 1.124 1351 F CA -1.532 56.452 58.000 -0.027 0.000 1.050 1351 F CB 1.417 40.417 39.000 0.001 0.000 1.314 1351 F HN 0.428 nan 8.300 nan 0.000 0.511 1352 M N 2.473 122.193 119.600 0.200 0.000 2.205 1352 M HA 0.317 4.795 4.480 -0.004 0.000 0.344 1352 M C -0.648 175.750 176.300 0.163 0.000 1.085 1352 M CA -0.421 54.900 55.300 0.034 0.000 1.001 1352 M CB 0.823 33.465 32.600 0.070 0.000 1.626 1352 M HN 0.614 nan 8.290 nan 0.000 0.442 1353 E N 2.027 122.212 120.200 -0.024 0.000 2.413 1353 E HA 0.256 4.603 4.350 -0.004 0.000 0.263 1353 E C -0.925 175.720 176.600 0.074 0.000 1.015 1353 E CA 0.249 56.718 56.400 0.115 0.000 0.916 1353 E CB 0.928 30.738 29.700 0.184 0.000 0.947 1353 E HN 0.729 nan 8.360 nan 0.000 0.440 1354 S N 1.001 116.798 115.700 0.160 0.000 2.643 1354 S HA 0.436 4.903 4.470 -0.004 0.000 0.270 1354 S C -1.724 172.991 174.600 0.193 0.000 1.166 1354 S CA -0.703 57.581 58.200 0.140 0.000 0.815 1354 S CB 1.269 64.593 63.200 0.207 0.000 1.139 1354 S HN 0.492 nan 8.310 nan 0.000 0.472 1355 Q N 0.561 120.482 119.800 0.201 0.000 2.501 1355 Q HA 0.820 5.157 4.340 -0.004 0.000 0.288 1355 Q C -0.115 175.959 176.000 0.123 0.000 1.051 1355 Q CA -0.726 55.184 55.803 0.179 0.000 0.788 1355 Q CB 1.459 30.344 28.738 0.246 0.000 1.469 1355 Q HN 1.486 nan 8.270 nan 0.000 0.416 1356 G N -0.561 108.243 108.800 0.006 0.000 2.353 1356 G HA2 0.203 4.160 3.960 -0.004 0.000 0.615 1356 G HA3 0.203 4.160 3.960 -0.004 0.000 0.615 1356 G C -0.604 174.407 174.900 0.185 0.000 1.280 1356 G CA -0.499 44.582 45.100 -0.033 0.000 1.000 1356 G HN 1.596 nan 8.290 nan 0.000 0.516 1357 C N -1.248 118.238 119.300 0.309 0.000 3.259 1357 C HA 1.131 5.589 4.460 -0.004 0.000 0.328 1357 C C 0.517 175.820 174.990 0.522 0.000 1.425 1357 C CA 0.216 59.447 59.018 0.356 0.000 1.465 1357 C CB 1.433 29.421 27.740 0.412 0.000 1.890 1357 C HN 2.703 nan 8.230 nan 0.000 0.450 1358 G N 0.023 109.049 108.800 0.376 0.000 2.731 1358 G HA2 0.660 4.617 3.960 -0.004 0.000 0.298 1358 G HA3 0.660 4.617 3.960 -0.004 0.000 0.298 1358 G C -1.942 173.101 174.900 0.239 0.000 1.424 1358 G CA -0.362 44.967 45.100 0.382 0.000 1.029 1358 G HN 1.217 nan 8.290 nan 0.000 0.518 1359 V N 2.206 122.234 119.914 0.189 0.000 2.841 1359 V HA 0.669 4.787 4.120 -0.004 0.000 0.310 1359 V C -1.067 175.083 176.094 0.093 0.000 1.090 1359 V CA -0.856 61.532 62.300 0.146 0.000 0.930 1359 V CB 2.157 34.077 31.823 0.161 0.000 1.014 1359 V HN 0.894 nan 8.190 nan 0.000 0.425 1360 Q N 3.129 122.976 119.800 0.078 0.000 2.347 1360 Q HA 0.692 5.029 4.340 -0.004 0.000 0.271 1360 Q C -0.872 175.168 176.000 0.067 0.000 1.064 1360 Q CA -0.707 55.123 55.803 0.045 0.000 0.800 1360 Q CB 2.553 31.308 28.738 0.028 0.000 1.304 1360 Q HN 0.605 nan 8.270 nan 0.000 0.438 1361 V N 3.271 123.229 119.914 0.072 0.000 2.567 1361 V HA 0.697 4.815 4.120 -0.004 0.000 0.289 1361 V C -0.295 175.848 176.094 0.082 0.000 1.049 1361 V CA -0.494 61.857 62.300 0.086 0.000 0.969 1361 V CB 0.723 32.624 31.823 0.130 0.000 0.995 1361 V HN 0.801 nan 8.190 nan 0.000 0.471 1362 I N 3.918 124.528 120.570 0.066 0.000 2.730 1362 I HA 0.758 4.926 4.170 -0.004 0.000 0.298 1362 I C -0.654 175.496 176.117 0.055 0.000 1.089 1362 I CA -0.937 60.405 61.300 0.071 0.000 1.041 1362 I CB 2.330 40.377 38.000 0.079 0.000 1.235 1362 I HN 0.678 nan 8.210 nan 0.000 0.423 1363 M N 2.533 122.173 119.600 0.066 0.000 2.664 1363 M HA 0.405 4.882 4.480 -0.004 0.000 0.279 1363 M C -0.406 175.926 176.300 0.054 0.000 1.275 1363 M CA -0.738 54.595 55.300 0.056 0.000 0.829 1363 M CB 2.914 35.561 32.600 0.078 0.000 1.727 1363 M HN 0.813 nan 8.290 nan 0.000 0.459 1364 T N -0.601 113.979 114.554 0.043 0.000 2.919 1364 T HA 0.410 4.758 4.350 -0.004 0.000 0.302 1364 T C 0.999 175.729 174.700 0.050 0.000 1.031 1364 T CA -0.097 62.029 62.100 0.043 0.000 1.127 1364 T CB 1.130 70.017 68.868 0.032 0.000 0.952 1364 T HN 0.708 nan 8.240 nan 0.000 0.540 1365 A N 1.825 124.681 122.820 0.059 0.000 1.908 1365 A HA -0.178 4.140 4.320 -0.004 0.000 0.218 1365 A C 2.386 179.992 177.584 0.037 0.000 1.181 1365 A CA 1.935 53.999 52.037 0.046 0.000 0.627 1365 A CB -1.058 17.988 19.000 0.077 0.000 0.818 1365 A HN 1.021 nan 8.150 nan 0.000 0.445 1366 Q N -0.421 119.407 119.800 0.046 0.000 1.985 1366 Q HA -0.211 4.126 4.340 -0.004 0.000 0.207 1366 Q C 2.079 178.101 176.000 0.037 0.000 0.996 1366 Q CA 1.939 57.769 55.803 0.044 0.000 0.851 1366 Q CB -0.413 28.352 28.738 0.045 0.000 0.921 1366 Q HN 0.578 nan 8.270 nan 0.000 0.418 1367 L N 0.495 121.741 121.223 0.037 0.000 2.079 1367 L HA -0.178 4.159 4.340 -0.004 0.000 0.210 1367 L C 2.349 179.211 176.870 -0.013 0.000 1.081 1367 L CA 1.932 56.785 54.840 0.023 0.000 0.752 1367 L CB -1.128 40.962 42.059 0.052 0.000 0.896 1367 L HN 0.438 nan 8.230 nan 0.000 0.433 1368 A N 0.257 123.090 122.820 0.021 0.000 1.858 1368 A HA -0.222 4.095 4.320 -0.004 0.000 0.216 1368 A C 2.202 179.825 177.584 0.065 0.000 1.190 1368 A CA 1.809 53.868 52.037 0.036 0.000 0.617 1368 A CB -0.745 18.283 19.000 0.045 0.000 0.827 1368 A HN 0.497 nan 8.150 nan 0.000 0.443 1369 L N -0.832 120.417 121.223 0.044 0.000 2.093 1369 L HA -0.161 4.177 4.340 -0.004 0.000 0.208 1369 L C 2.632 179.584 176.870 0.136 0.000 1.085 1369 L CA 1.656 56.543 54.840 0.079 0.000 0.755 1369 L CB -0.478 41.565 42.059 -0.027 0.000 0.904 1369 L HN 0.620 nan 8.230 nan 0.000 0.435 1370 E N 0.456 120.682 120.200 0.044 0.000 2.051 1370 E HA -0.251 4.096 4.350 -0.004 0.000 0.192 1370 E C 2.314 178.854 176.600 -0.100 0.000 0.991 1370 E CA 1.378 57.789 56.400 0.019 0.000 0.799 1370 E CB -0.026 29.691 29.700 0.027 0.000 0.748 1370 E HN 0.429 nan 8.360 nan 0.000 0.449 1371 M N -0.817 118.602 119.600 -0.303 0.000 2.099 1371 M HA -0.001 4.477 4.480 -0.004 0.000 0.262 1371 M C 1.273 177.467 176.300 -0.177 0.000 1.067 1371 M CA 1.416 56.371 55.300 -0.576 0.000 1.124 1371 M CB 0.161 32.402 32.600 -0.598 0.000 1.353 1371 M HN 0.378 nan 8.290 nan 0.000 0.410 1372 G N 1.466 110.259 108.800 -0.012 0.000 2.392 1372 G HA2 -0.096 3.862 3.960 -0.004 0.000 0.215 1372 G HA3 -0.096 3.862 3.960 -0.004 0.000 0.215 1372 G C -0.280 174.593 174.900 -0.047 0.000 1.097 1372 G CA -0.079 45.030 45.100 0.014 0.000 0.840 1372 G HN 0.483 nan 8.290 nan 0.000 0.492 1373 V N -2.542 117.396 119.914 0.038 0.000 2.630 1373 V HA 0.904 5.021 4.120 -0.004 0.000 0.305 1373 V C -1.645 174.425 176.094 -0.041 0.000 1.046 1373 V CA -3.019 59.238 62.300 -0.071 0.000 0.934 1373 V CB 1.702 33.492 31.823 -0.056 0.000 1.003 1373 V HN 0.086 nan 8.190 nan 0.000 0.451 1374 P HA 0.227 nan 4.420 nan 0.000 0.267 1374 P C -0.635 176.620 177.300 -0.076 0.000 1.195 1374 P CA 0.454 63.363 63.100 -0.319 0.000 0.773 1374 P CB 0.233 31.470 31.700 -0.772 0.000 0.837 1375 I N 2.246 122.799 120.570 -0.029 0.000 2.439 1375 I HA 0.190 4.358 4.170 -0.004 0.000 0.283 1375 I C 0.303 176.355 176.117 -0.107 0.000 1.023 1375 I CA -0.462 60.843 61.300 0.009 0.000 1.100 1375 I CB 1.488 39.522 38.000 0.056 0.000 1.238 1375 I HN 0.388 nan 8.210 nan 0.000 0.445 1376 Y N 4.484 124.778 120.300 -0.011 0.000 2.420 1376 Y HA 0.300 4.848 4.550 -0.004 0.000 0.292 1376 Y C 1.510 177.362 175.900 -0.081 0.000 1.119 1376 Y CA 0.523 58.597 58.100 -0.042 0.000 1.229 1376 Y CB 0.557 38.995 38.460 -0.038 0.000 1.026 1376 Y HN 0.652 nan 8.280 nan 0.000 0.554 1377 G N -0.679 108.147 108.800 0.043 0.000 2.328 1377 G HA2 0.388 4.345 3.960 -0.004 0.000 0.295 1377 G HA3 0.388 4.345 3.960 -0.004 0.000 0.295 1377 G C -1.925 172.907 174.900 -0.113 0.000 1.413 1377 G CA -1.045 44.019 45.100 -0.060 0.000 0.817 1377 G HN -0.086 nan 8.290 nan 0.000 0.546 1378 I N 0.814 121.240 120.570 -0.239 0.000 2.339 1378 I HA 0.328 4.496 4.170 -0.004 0.000 0.290 1378 I C 0.223 176.212 176.117 -0.214 0.000 0.994 1378 I CA -1.040 60.103 61.300 -0.262 0.000 1.191 1378 I CB 1.958 39.622 38.000 -0.559 0.000 1.343 1378 I HN 0.165 nan 8.210 nan 0.000 0.458 1379 V N 6.696 126.564 119.914 -0.076 0.000 2.390 1379 V HA 0.050 4.168 4.120 -0.004 0.000 0.260 1379 V C 1.281 177.332 176.094 -0.072 0.000 1.043 1379 V CA 0.303 62.545 62.300 -0.097 0.000 1.047 1379 V CB 0.410 32.221 31.823 -0.020 0.000 1.066 1379 V HN 1.006 nan 8.190 nan 0.000 0.481 1380 A N 5.350 128.065 122.820 -0.175 0.000 1.970 1380 A HA 0.301 4.619 4.320 -0.004 0.000 0.216 1380 A C 0.830 178.379 177.584 -0.060 0.000 1.170 1380 A CA 0.997 53.003 52.037 -0.052 0.000 0.645 1380 A CB 0.134 19.032 19.000 -0.170 0.000 0.816 1380 A HN 0.760 nan 8.150 nan 0.000 0.447 1381 M N -1.004 118.439 119.600 -0.262 0.000 2.605 1381 M HA 0.453 4.931 4.480 -0.004 0.000 0.281 1381 M C -1.898 174.152 176.300 -0.416 0.000 1.166 1381 M CA -0.116 55.002 55.300 -0.304 0.000 0.875 1381 M CB 1.903 34.357 32.600 -0.245 0.000 1.732 1381 M HN 0.244 nan 8.290 nan 0.000 0.504 1382 T N -0.087 114.216 114.554 -0.418 0.000 2.868 1382 T HA 0.942 5.289 4.350 -0.004 0.000 0.306 1382 T C -1.051 173.556 174.700 -0.155 0.000 1.224 1382 T CA -0.185 61.735 62.100 -0.299 0.000 1.012 1382 T CB 1.763 70.426 68.868 -0.342 0.000 1.221 1382 T HN 1.221 nan 8.240 nan 0.000 0.499 1383 S N -0.154 115.471 115.700 -0.125 0.000 2.586 1383 S HA 0.695 5.163 4.470 -0.004 0.000 0.277 1383 S C -0.769 173.770 174.600 -0.102 0.000 1.131 1383 S CA -0.843 57.309 58.200 -0.080 0.000 0.848 1383 S CB 1.046 64.210 63.200 -0.061 0.000 1.091 1383 S HN 1.536 nan 8.310 nan 0.000 0.453 1384 T N -1.338 113.170 114.554 -0.076 0.000 2.885 1384 T HA 0.915 5.263 4.350 -0.004 0.000 0.285 1384 T C -0.361 174.293 174.700 -0.077 0.000 1.019 1384 T CA -0.613 61.432 62.100 -0.090 0.000 1.010 1384 T CB 1.575 70.404 68.868 -0.065 0.000 1.022 1384 T HN 1.876 nan 8.240 nan 0.000 0.466 1385 A N 2.135 124.901 122.820 -0.091 0.000 2.437 1385 A HA 0.713 5.031 4.320 -0.004 0.000 0.293 1385 A C 0.026 177.583 177.584 -0.046 0.000 1.038 1385 A CA -0.942 51.056 52.037 -0.066 0.000 0.708 1385 A CB 1.225 20.178 19.000 -0.078 0.000 1.251 1385 A HN 0.913 nan 8.150 nan 0.000 0.409 1386 T N 1.688 116.229 114.554 -0.023 0.000 2.918 1386 T HA 0.519 4.867 4.350 -0.004 0.000 0.283 1386 T C -0.180 174.522 174.700 0.003 0.000 1.001 1386 T CA -0.544 61.553 62.100 -0.006 0.000 1.041 1386 T CB 0.863 69.730 68.868 -0.001 0.000 1.028 1386 T HN 0.655 nan 8.240 nan 0.000 0.511 1387 D N 0.410 120.819 120.400 0.014 0.000 2.511 1387 D HA 0.284 4.921 4.640 -0.004 0.000 0.283 1387 D C 0.713 177.020 176.300 0.011 0.000 1.198 1387 D CA -0.679 53.332 54.000 0.018 0.000 1.097 1387 D CB 0.491 41.308 40.800 0.029 0.000 1.160 1387 D HN 0.591 nan 8.370 nan 0.000 0.589 1388 K N -0.199 120.207 120.400 0.010 0.000 2.440 1388 K HA 0.359 4.677 4.320 -0.004 0.000 0.252 1388 K C 0.315 176.921 176.600 0.009 0.000 1.044 1388 K CA -0.647 55.645 56.287 0.007 0.000 0.962 1388 K CB 0.254 32.757 32.500 0.006 0.000 1.269 1388 K HN 0.252 nan 8.250 nan 0.000 0.505 1389 I N 0.664 121.239 120.570 0.007 0.000 2.648 1389 I HA 0.136 4.303 4.170 -0.004 0.000 0.284 1389 I C 0.641 176.763 176.117 0.009 0.000 1.153 1389 I CA 0.655 61.960 61.300 0.008 0.000 1.426 1389 I CB 0.774 38.778 38.000 0.007 0.000 1.381 1389 I HN 0.885 nan 8.210 nan 0.000 0.571 1390 G N 5.178 113.985 108.800 0.011 0.000 2.706 1390 G HA2 0.496 4.453 3.960 -0.004 0.000 0.307 1390 G HA3 0.496 4.453 3.960 -0.004 0.000 0.307 1390 G C -0.110 174.797 174.900 0.013 0.000 1.307 1390 G CA -0.441 44.665 45.100 0.011 0.000 0.790 1390 G HN 0.421 nan 8.290 nan 0.000 0.503 1391 R N -0.784 119.725 120.500 0.014 0.000 2.582 1391 R HA 0.243 4.581 4.340 -0.004 0.000 0.285 1391 R C 0.745 177.058 176.300 0.022 0.000 0.940 1391 R CA -0.072 56.039 56.100 0.018 0.000 1.072 1391 R CB 0.608 30.917 30.300 0.016 0.000 1.527 1391 R HN 0.412 nan 8.270 nan 0.000 0.538 1392 S N 1.671 117.382 115.700 0.018 0.000 2.411 1392 S HA 0.171 4.638 4.470 -0.004 0.000 0.304 1392 S C 1.488 176.101 174.600 0.021 0.000 1.098 1392 S CA -0.306 57.906 58.200 0.020 0.000 1.068 1392 S CB 0.557 63.761 63.200 0.008 0.000 1.032 1392 S HN -0.046 nan 8.310 nan 0.000 0.511 1393 V N 7.616 127.557 119.914 0.045 0.000 2.332 1393 V HA -0.059 4.059 4.120 -0.004 0.000 0.248 1393 V C -0.875 175.240 176.094 0.035 0.000 1.055 1393 V CA 1.596 63.935 62.300 0.066 0.000 1.038 1393 V CB -1.254 30.638 31.823 0.115 0.000 0.651 1393 V HN 0.662 nan 8.190 nan 0.000 0.450 1394 P HA 0.126 nan 4.420 nan 0.000 0.236 1394 P C 0.369 177.493 177.300 -0.293 0.000 1.177 1394 P CA 0.617 63.535 63.100 -0.305 0.000 0.773 1394 P CB -0.058 31.503 31.700 -0.231 0.000 0.878 1395 A N 1.583 124.327 122.820 -0.127 0.000 2.498 1395 A HA 0.344 4.662 4.320 -0.004 0.000 0.239 1395 A C -2.156 175.374 177.584 -0.089 0.000 1.068 1395 A CA -0.612 51.367 52.037 -0.096 0.000 0.766 1395 A CB -0.937 18.035 19.000 -0.046 0.000 1.003 1395 A HN 0.058 nan 8.150 nan 0.000 0.497 1396 P HA 0.540 nan 4.420 nan 0.000 0.294 1396 P C 0.146 177.415 177.300 -0.051 0.000 1.294 1396 P CA -0.019 63.028 63.100 -0.088 0.000 0.827 1396 P CB 1.753 33.312 31.700 -0.234 0.000 0.992 1397 G N 1.277 110.101 108.800 0.040 0.000 3.108 1397 G HA2 0.372 4.330 3.960 -0.004 0.000 0.268 1397 G HA3 0.372 4.330 3.960 -0.004 0.000 0.268 1397 G C -0.675 174.291 174.900 0.109 0.000 1.361 1397 G CA -0.588 44.540 45.100 0.047 0.000 1.047 1397 G HN 0.420 nan 8.290 nan 0.000 0.540 1398 Q N 0.039 119.886 119.800 0.078 0.000 2.241 1398 Q HA 0.211 4.548 4.340 -0.004 0.000 0.296 1398 Q C 1.685 177.719 176.000 0.057 0.000 0.889 1398 Q CA -0.053 55.804 55.803 0.091 0.000 1.089 1398 Q CB 1.215 29.982 28.738 0.048 0.000 1.195 1398 Q HN 0.657 nan 8.270 nan 0.000 0.451 1399 G N 0.682 109.515 108.800 0.054 0.000 2.440 1399 G HA2 -0.236 3.721 3.960 -0.004 0.000 0.218 1399 G HA3 -0.236 3.721 3.960 -0.004 0.000 0.218 1399 G C 1.354 176.243 174.900 -0.017 0.000 1.154 1399 G CA 0.852 45.956 45.100 0.008 0.000 0.767 1399 G HN 0.309 nan 8.290 nan 0.000 0.552 1400 V N 1.044 120.946 119.914 -0.021 0.000 2.828 1400 V HA -0.085 4.033 4.120 -0.004 0.000 0.260 1400 V C 2.593 178.652 176.094 -0.057 0.000 1.101 1400 V CA 0.907 63.157 62.300 -0.084 0.000 1.123 1400 V CB -0.501 31.223 31.823 -0.165 0.000 0.704 1400 V HN 0.364 nan 8.190 nan 0.000 0.493 1401 L N 1.376 122.585 121.223 -0.023 0.000 2.083 1401 L HA -0.145 4.192 4.340 -0.004 0.000 0.209 1401 L C 2.527 179.356 176.870 -0.068 0.000 1.083 1401 L CA 2.219 57.036 54.840 -0.039 0.000 0.752 1401 L CB -0.504 41.536 42.059 -0.031 0.000 0.899 1401 L HN 0.661 nan 8.230 nan 0.000 0.433 1402 T N -4.550 109.967 114.554 -0.061 0.000 3.400 1402 T HA -0.058 4.290 4.350 -0.004 0.000 0.254 1402 T C 1.232 175.898 174.700 -0.057 0.000 1.153 1402 T CA 0.675 62.737 62.100 -0.063 0.000 1.012 1402 T CB -0.804 68.037 68.868 -0.046 0.000 0.994 1402 T HN 0.475 nan 8.240 nan 0.000 0.555 1403 T N -2.588 111.924 114.554 -0.070 0.000 3.163 1403 T HA 0.635 4.983 4.350 -0.004 0.000 0.252 1403 T C 1.172 175.824 174.700 -0.080 0.000 1.056 1403 T CA -0.022 62.033 62.100 -0.076 0.000 0.947 1403 T CB 0.054 68.861 68.868 -0.102 0.000 1.016 1403 T HN 0.439 nan 8.240 nan 0.000 0.554 1404 A N 1.674 124.457 122.820 -0.062 0.000 2.635 1404 A HA 0.385 4.702 4.320 -0.004 0.000 0.279 1404 A C 0.796 178.385 177.584 0.009 0.000 1.122 1404 A CA -0.839 51.182 52.037 -0.026 0.000 0.965 1404 A CB 0.074 19.061 19.000 -0.021 0.000 1.221 1404 A HN 0.624 nan 8.150 nan 0.000 0.566 1405 R N 0.901 121.381 120.500 -0.033 0.000 2.537 1405 R HA 0.485 4.823 4.340 -0.004 0.000 0.280 1405 R C -0.314 176.035 176.300 0.080 0.000 1.058 1405 R CA 0.298 56.384 56.100 -0.025 0.000 1.057 1405 R CB 0.411 30.690 30.300 -0.035 0.000 0.973 1405 R HN 0.329 nan 8.270 nan 0.000 0.438 1406 E N 2.282 122.588 120.200 0.177 0.000 2.537 1406 E HA 0.107 4.454 4.350 -0.004 0.000 0.301 1406 E C -1.860 174.843 176.600 0.172 0.000 0.990 1406 E CA -0.741 55.756 56.400 0.161 0.000 0.828 1406 E CB 1.598 31.378 29.700 0.134 0.000 1.243 1406 E HN 0.679 nan 8.360 nan 0.000 0.414 1407 K N 2.674 123.131 120.400 0.095 0.000 2.316 1407 K HA 0.329 4.647 4.320 -0.004 0.000 0.267 1407 K C -1.185 175.438 176.600 0.039 0.000 1.025 1407 K CA -0.408 55.921 56.287 0.070 0.000 0.896 1407 K CB 1.678 34.213 32.500 0.057 0.000 1.124 1407 K HN 0.333 nan 8.250 nan 0.000 0.451 1408 S N 2.590 118.296 115.700 0.010 0.000 2.438 1408 S HA 0.403 4.871 4.470 -0.004 0.000 0.293 1408 S C 0.215 174.811 174.600 -0.008 0.000 1.141 1408 S CA -0.632 57.565 58.200 -0.004 0.000 1.080 1408 S CB 0.784 63.959 63.200 -0.041 0.000 0.978 1408 S HN 0.781 nan 8.310 nan 0.000 0.479 1409 G N 3.368 112.175 108.800 0.012 0.000 2.684 1409 G HA2 0.053 4.011 3.960 -0.004 0.000 0.255 1409 G HA3 0.053 4.011 3.960 -0.004 0.000 0.255 1409 G C 0.957 175.830 174.900 -0.045 0.000 1.219 1409 G CA -0.521 44.585 45.100 0.010 0.000 0.901 1409 G HN 0.808 nan 8.290 nan 0.000 0.548 1410 N N -0.869 117.766 118.700 -0.108 0.000 2.192 1410 N HA -0.103 4.635 4.740 -0.004 0.000 0.188 1410 N C -0.097 175.077 175.510 -0.560 0.000 1.013 1410 N CA 1.123 53.952 53.050 -0.368 0.000 0.863 1410 N CB -0.134 38.041 38.487 -0.520 0.000 0.990 1410 N HN 0.352 nan 8.380 nan 0.000 0.430 1411 F N 0.447 120.390 119.950 -0.012 0.000 2.520 1411 F HA 0.419 4.944 4.527 -0.004 0.000 0.322 1411 F C -1.999 173.788 175.800 -0.022 0.000 1.103 1411 F CA -2.514 55.475 58.000 -0.018 0.000 0.926 1411 F CB 1.067 40.054 39.000 -0.022 0.000 1.154 1411 F HN -0.270 nan 8.300 nan 0.000 0.453 1412 P HA 0.005 nan 4.420 nan 0.000 0.265 1412 P C -0.240 177.092 177.300 0.053 0.000 1.193 1412 P CA -0.095 63.050 63.100 0.076 0.000 0.765 1412 P CB 0.672 32.408 31.700 0.059 0.000 0.823 1413 S N 4.475 120.196 115.700 0.035 0.000 2.573 1413 S HA 0.002 4.470 4.470 -0.004 0.000 0.297 1413 S C -1.153 173.386 174.600 -0.102 0.000 1.280 1413 S CA -0.770 57.424 58.200 -0.010 0.000 1.061 1413 S CB -0.256 62.971 63.200 0.047 0.000 0.812 1413 S HN 0.264 nan 8.310 nan 0.000 0.500 1414 P HA -0.153 nan 4.420 nan 0.000 0.217 1414 P C 1.327 178.359 177.300 -0.447 0.000 1.151 1414 P CA 1.350 64.106 63.100 -0.574 0.000 0.849 1414 P CB -0.021 30.908 31.700 -1.285 0.000 0.787 1415 L N -1.824 119.238 121.223 -0.268 0.000 2.191 1415 L HA -0.152 4.186 4.340 -0.004 0.000 0.212 1415 L C 2.395 179.158 176.870 -0.178 0.000 1.103 1415 L CA 1.036 55.808 54.840 -0.113 0.000 0.769 1415 L CB -0.923 41.173 42.059 0.062 0.000 0.908 1415 L HN -0.044 nan 8.230 nan 0.000 0.438 1416 L N -0.640 120.568 121.223 -0.025 0.000 2.127 1416 L HA -0.158 4.180 4.340 -0.004 0.000 0.211 1416 L C 0.834 177.698 176.870 -0.011 0.000 1.089 1416 L CA 0.459 55.322 54.840 0.038 0.000 0.757 1416 L CB -0.616 41.487 42.059 0.073 0.000 0.899 1416 L HN 0.260 nan 8.230 nan 0.000 0.434 1417 D N 0.416 120.796 120.400 -0.034 0.000 2.343 1417 D HA 0.035 4.672 4.640 -0.004 0.000 0.255 1417 D C 1.100 177.397 176.300 -0.006 0.000 1.187 1417 D CA 0.146 54.142 54.000 -0.007 0.000 0.875 1417 D CB 0.894 41.695 40.800 0.001 0.000 1.136 1417 D HN 0.024 nan 8.370 nan 0.000 0.469 1418 I N 3.561 124.124 120.570 -0.011 0.000 2.394 1418 I HA -0.239 3.928 4.170 -0.004 0.000 0.251 1418 I C 1.638 177.738 176.117 -0.028 0.000 1.136 1418 I CA 0.978 62.258 61.300 -0.033 0.000 1.425 1418 I CB 0.179 38.171 38.000 -0.013 0.000 1.079 1418 I HN 0.461 nan 8.210 nan 0.000 0.425 1419 K N -0.256 120.141 120.400 -0.005 0.000 2.097 1419 K HA -0.237 4.081 4.320 -0.004 0.000 0.205 1419 K C 2.072 178.657 176.600 -0.024 0.000 1.050 1419 K CA 1.492 57.767 56.287 -0.019 0.000 0.938 1419 K CB -0.489 32.007 32.500 -0.006 0.000 0.718 1419 K HN 0.299 nan 8.250 nan 0.000 0.442 1420 Y N 2.313 122.551 120.300 -0.104 0.000 2.165 1420 Y HA -0.224 4.324 4.550 -0.004 0.000 0.286 1420 Y C 1.997 177.787 175.900 -0.184 0.000 1.155 1420 Y CA 1.490 59.518 58.100 -0.120 0.000 1.164 1420 Y CB 0.023 38.430 38.460 -0.089 0.000 0.978 1420 Y HN -0.099 nan 8.280 nan 0.000 0.513 1421 R N -0.211 120.246 120.500 -0.073 0.000 2.115 1421 R HA -0.124 4.214 4.340 -0.004 0.000 0.230 1421 R C 2.424 178.518 176.300 -0.343 0.000 1.111 1421 R CA 0.966 56.928 56.100 -0.230 0.000 0.976 1421 R CB -0.242 29.999 30.300 -0.099 0.000 0.870 1421 R HN 0.284 nan 8.270 nan 0.000 0.445 1422 R N 0.967 121.333 120.500 -0.224 0.000 2.082 1422 R HA -0.101 4.237 4.340 -0.004 0.000 0.234 1422 R C 2.226 178.364 176.300 -0.270 0.000 1.136 1422 R CA 1.485 57.467 56.100 -0.196 0.000 0.935 1422 R CB -0.385 29.843 30.300 -0.120 0.000 0.842 1422 R HN 0.233 nan 8.270 nan 0.000 0.430 1423 R N 0.370 120.695 120.500 -0.292 0.000 2.132 1423 R HA -0.191 4.147 4.340 -0.004 0.000 0.233 1423 R C 2.320 178.361 176.300 -0.431 0.000 1.125 1423 R CA 1.886 57.799 56.100 -0.312 0.000 0.914 1423 R CB -0.396 29.712 30.300 -0.319 0.000 0.845 1423 R HN 0.311 nan 8.270 nan 0.000 0.431 1424 Q N 0.409 119.794 119.800 -0.692 0.000 2.152 1424 Q HA -0.213 4.125 4.340 -0.004 0.000 0.206 1424 Q C 2.187 177.645 176.000 -0.903 0.000 0.985 1424 Q CA 1.297 56.547 55.803 -0.922 0.000 0.863 1424 Q CB -0.382 27.456 28.738 -1.500 0.000 0.904 1424 Q HN 0.280 nan 8.270 nan 0.000 0.422 1425 L N 0.946 121.702 121.223 -0.779 0.000 2.007 1425 L HA -0.118 4.219 4.340 -0.004 0.000 0.205 1425 L C 1.986 178.728 176.870 -0.213 0.000 1.073 1425 L CA 1.832 56.430 54.840 -0.402 0.000 0.744 1425 L CB -0.366 41.556 42.059 -0.228 0.000 0.898 1425 L HN 0.052 nan 8.230 nan 0.000 0.435 1426 E N -0.434 119.650 120.200 -0.192 0.000 2.268 1426 E HA -0.179 4.168 4.350 -0.004 0.000 0.195 1426 E C 2.081 178.613 176.600 -0.114 0.000 0.995 1426 E CA 0.657 56.986 56.400 -0.119 0.000 0.836 1426 E CB -0.193 29.447 29.700 -0.100 0.000 0.763 1426 E HN 0.428 nan 8.360 nan 0.000 0.491 1427 L N 1.027 122.149 121.223 -0.167 0.000 1.994 1427 L HA -0.185 4.153 4.340 -0.004 0.000 0.208 1427 L C 1.898 178.714 176.870 -0.089 0.000 1.071 1427 L CA 1.849 56.607 54.840 -0.137 0.000 0.745 1427 L CB -0.379 41.564 42.059 -0.193 0.000 0.892 1427 L HN 0.123 nan 8.230 nan 0.000 0.431 1428 R N -0.125 120.317 120.500 -0.096 0.000 2.237 1428 R HA -0.075 4.263 4.340 -0.004 0.000 0.219 1428 R C 2.187 178.475 176.300 -0.019 0.000 1.080 1428 R CA 0.521 56.603 56.100 -0.030 0.000 0.995 1428 R CB -0.231 30.085 30.300 0.027 0.000 0.875 1428 R HN 0.517 nan 8.270 nan 0.000 0.462 1429 R N -0.029 120.452 120.500 -0.032 0.000 2.073 1429 R HA -0.048 4.289 4.340 -0.004 0.000 0.229 1429 R C 2.208 178.512 176.300 0.008 0.000 1.120 1429 R CA 0.826 56.919 56.100 -0.012 0.000 0.967 1429 R CB 0.038 30.326 30.300 -0.020 0.000 0.862 1429 R HN 0.149 nan 8.270 nan 0.000 0.436 1430 Q N 0.775 120.574 119.800 -0.002 0.000 1.990 1430 Q HA -0.215 4.123 4.340 -0.004 0.000 0.200 1430 Q C 2.022 178.045 176.000 0.039 0.000 0.980 1430 Q CA 1.462 57.274 55.803 0.015 0.000 0.832 1430 Q CB -0.330 28.407 28.738 -0.002 0.000 0.897 1430 Q HN 0.368 nan 8.270 nan 0.000 0.427 1431 Q N -0.010 119.807 119.800 0.028 0.000 2.242 1431 Q HA -0.195 4.143 4.340 -0.004 0.000 0.211 1431 Q C 1.969 178.023 176.000 0.089 0.000 0.992 1431 Q CA 1.230 57.062 55.803 0.049 0.000 0.889 1431 Q CB -0.093 28.658 28.738 0.023 0.000 0.913 1431 Q HN 0.371 nan 8.270 nan 0.000 0.422 1432 I N -0.541 120.069 120.570 0.067 0.000 2.494 1432 I HA -0.192 3.976 4.170 -0.004 0.000 0.250 1432 I C 2.364 178.597 176.117 0.194 0.000 1.112 1432 I CA 0.628 61.979 61.300 0.086 0.000 1.438 1432 I CB -0.150 37.849 38.000 -0.002 0.000 1.111 1432 I HN 0.121 nan 8.210 nan 0.000 0.431 1433 K N 1.130 121.612 120.400 0.136 0.000 2.113 1433 K HA -0.275 4.042 4.320 -0.004 0.000 0.208 1433 K C 2.129 178.829 176.600 0.167 0.000 1.047 1433 K CA 1.981 58.353 56.287 0.143 0.000 0.928 1433 K CB -0.034 32.517 32.500 0.084 0.000 0.716 1433 K HN 0.487 nan 8.250 nan 0.000 0.446 1434 Q N -1.086 118.809 119.800 0.158 0.000 2.137 1434 Q HA -0.173 4.164 4.340 -0.004 0.000 0.198 1434 Q C 2.039 178.147 176.000 0.179 0.000 0.960 1434 Q CA 0.995 56.879 55.803 0.136 0.000 0.847 1434 Q CB -0.714 28.084 28.738 0.100 0.000 0.915 1434 Q HN 0.504 nan 8.270 nan 0.000 0.448 1435 W N 2.590 123.916 121.300 0.043 0.000 2.338 1435 W HA -0.183 4.475 4.660 -0.004 0.000 0.304 1435 W C 2.181 178.742 176.519 0.071 0.000 1.212 1435 W CA 2.045 59.416 57.345 0.043 0.000 1.264 1435 W CB 0.085 29.559 29.460 0.024 0.000 1.142 1435 W HN 0.091 nan 8.180 nan 0.000 0.512 1436 K N 0.401 121.051 120.400 0.418 0.000 2.009 1436 K HA -0.272 4.046 4.320 -0.004 0.000 0.210 1436 K C 1.936 178.641 176.600 0.175 0.000 1.049 1436 K CA 2.339 58.810 56.287 0.307 0.000 0.929 1436 K CB -0.416 32.320 32.500 0.393 0.000 0.714 1436 K HN 0.238 nan 8.250 nan 0.000 0.440 1437 E N 0.026 120.328 120.200 0.171 0.000 2.023 1437 E HA -0.204 4.143 4.350 -0.004 0.000 0.196 1437 E C 2.055 178.694 176.600 0.064 0.000 1.003 1437 E CA 1.471 57.957 56.400 0.144 0.000 0.809 1437 E CB -0.241 29.488 29.700 0.048 0.000 0.755 1437 E HN 0.292 nan 8.360 nan 0.000 0.449 1438 S N 0.641 116.317 115.700 -0.041 0.000 2.407 1438 S HA -0.290 4.178 4.470 -0.004 0.000 0.235 1438 S C 1.958 176.444 174.600 -0.190 0.000 1.036 1438 S CA 1.929 60.069 58.200 -0.099 0.000 1.013 1438 S CB -0.132 63.001 63.200 -0.112 0.000 0.820 1438 S HN 0.187 nan 8.310 nan 0.000 0.476 1439 E N -0.504 119.443 120.200 -0.422 0.000 2.170 1439 E HA 0.026 4.373 4.350 -0.004 0.000 0.191 1439 E C 1.565 178.014 176.600 -0.252 0.000 0.981 1439 E CA 1.024 57.114 56.400 -0.517 0.000 0.830 1439 E CB -0.482 28.558 29.700 -1.100 0.000 0.775 1439 E HN 0.757 nan 8.360 nan 0.000 0.470 1440 Y N 0.103 120.301 120.300 -0.170 0.000 2.207 1440 Y HA -0.205 4.343 4.550 -0.004 0.000 0.287 1440 Y C 2.123 177.997 175.900 -0.042 0.000 1.156 1440 Y CA 1.427 59.483 58.100 -0.073 0.000 1.182 1440 Y CB -0.331 38.098 38.460 -0.052 0.000 0.979 1440 Y HN 0.162 nan 8.280 nan 0.000 0.521 1441 L N -0.991 120.296 121.223 0.106 0.000 1.955 1441 L HA -0.278 4.060 4.340 -0.004 0.000 0.213 1441 L C 2.258 179.146 176.870 0.031 0.000 1.072 1441 L CA 1.869 56.737 54.840 0.047 0.000 0.755 1441 L CB -1.014 41.060 42.059 0.024 0.000 0.888 1441 L HN 0.274 nan 8.230 nan 0.000 0.432 1442 Y N -0.593 119.656 120.300 -0.086 0.000 2.151 1442 Y HA -0.308 4.239 4.550 -0.004 0.000 0.284 1442 Y C 2.263 178.116 175.900 -0.077 0.000 1.166 1442 Y CA 2.039 60.086 58.100 -0.089 0.000 1.163 1442 Y CB -0.027 38.360 38.460 -0.121 0.000 0.974 1442 Y HN 0.325 nan 8.280 nan 0.000 0.511 1443 L N 0.034 121.340 121.223 0.137 0.000 2.492 1443 L HA -0.060 4.277 4.340 -0.004 0.000 0.223 1443 L C 2.025 178.919 176.870 0.041 0.000 1.132 1443 L CA 0.992 55.885 54.840 0.087 0.000 0.850 1443 L CB -0.281 41.779 42.059 0.001 0.000 0.966 1443 L HN 0.242 nan 8.230 nan 0.000 0.454 1444 Q N -0.196 119.615 119.800 0.019 0.000 2.089 1444 Q HA -0.116 4.222 4.340 -0.004 0.000 0.195 1444 Q C 1.934 177.902 176.000 -0.054 0.000 0.963 1444 Q CA 1.629 57.433 55.803 0.003 0.000 0.834 1444 Q CB 0.021 28.772 28.738 0.021 0.000 0.906 1444 Q HN 0.567 nan 8.270 nan 0.000 0.452 1445 E N 0.385 120.526 120.200 -0.098 0.000 2.077 1445 E HA -0.226 4.121 4.350 -0.004 0.000 0.193 1445 E C 1.805 178.306 176.600 -0.165 0.000 0.989 1445 E CA 1.212 57.523 56.400 -0.148 0.000 0.800 1445 E CB -0.167 29.401 29.700 -0.221 0.000 0.746 1445 E HN 0.540 nan 8.360 nan 0.000 0.452 1446 E N 1.234 121.332 120.200 -0.171 0.000 2.204 1446 E HA -0.165 4.183 4.350 -0.004 0.000 0.195 1446 E C 2.056 178.546 176.600 -0.183 0.000 0.990 1446 E CA 0.789 57.100 56.400 -0.149 0.000 0.821 1446 E CB 0.176 29.848 29.700 -0.047 0.000 0.750 1446 E HN 0.041 nan 8.360 nan 0.000 0.477 1447 V N 1.559 121.377 119.914 -0.159 0.000 2.220 1447 V HA -0.294 3.824 4.120 -0.004 0.000 0.246 1447 V C 2.571 178.518 176.094 -0.246 0.000 1.049 1447 V CA 2.115 64.270 62.300 -0.241 0.000 1.003 1447 V CB -0.979 30.767 31.823 -0.128 0.000 0.634 1447 V HN 0.483 nan 8.190 nan 0.000 0.444 1448 A N -0.266 122.458 122.820 -0.160 0.000 1.972 1448 A HA -0.084 4.233 4.320 -0.004 0.000 0.219 1448 A C 2.323 179.821 177.584 -0.143 0.000 1.169 1448 A CA 1.963 53.920 52.037 -0.133 0.000 0.635 1448 A CB -0.718 18.226 19.000 -0.094 0.000 0.810 1448 A HN 0.627 nan 8.150 nan 0.000 0.446 1449 A N -0.333 122.392 122.820 -0.158 0.000 2.067 1449 A HA 0.039 4.357 4.320 -0.004 0.000 0.219 1449 A C 1.892 179.383 177.584 -0.156 0.000 1.158 1449 A CA 1.353 53.304 52.037 -0.144 0.000 0.661 1449 A CB -0.486 18.426 19.000 -0.148 0.000 0.801 1449 A HN 0.526 nan 8.150 nan 0.000 0.452 1450 I N -1.171 119.260 120.570 -0.231 0.000 3.603 1450 I HA -0.076 4.091 4.170 -0.004 0.000 0.297 1450 I C 1.915 177.904 176.117 -0.214 0.000 1.269 1450 I CA 0.443 61.581 61.300 -0.270 0.000 1.361 1450 I CB -0.035 37.657 38.000 -0.514 0.000 1.063 1450 I HN 0.213 nan 8.210 nan 0.000 0.448 1451 K N 1.085 121.373 120.400 -0.187 0.000 2.097 1451 K HA -0.061 4.256 4.320 -0.004 0.000 0.205 1451 K C 2.032 178.598 176.600 -0.056 0.000 1.050 1451 K CA 1.687 57.913 56.287 -0.102 0.000 0.938 1451 K CB -0.175 32.270 32.500 -0.092 0.000 0.718 1451 K HN 0.312 nan 8.250 nan 0.000 0.442 1452 S N 0.853 116.514 115.700 -0.065 0.000 2.603 1452 S HA -0.019 4.449 4.470 -0.004 0.000 0.220 1452 S C 1.235 175.816 174.600 -0.033 0.000 0.967 1452 S CA 0.205 58.379 58.200 -0.043 0.000 0.920 1452 S CB 0.023 63.194 63.200 -0.048 0.000 0.773 1452 S HN 0.274 nan 8.310 nan 0.000 0.529 1453 Q N 0.555 120.335 119.800 -0.035 0.000 2.188 1453 Q HA 0.306 4.643 4.340 -0.004 0.000 0.212 1453 Q C 0.119 176.125 176.000 0.009 0.000 0.846 1453 Q CA -0.180 55.613 55.803 -0.016 0.000 0.989 1453 Q CB 0.451 29.175 28.738 -0.024 0.000 1.114 1453 Q HN 0.330 nan 8.270 nan 0.000 0.488 1454 R N 0.964 121.473 120.500 0.015 0.000 2.198 1454 R HA 0.332 4.670 4.340 -0.004 0.000 0.339 1454 R C -0.636 175.679 176.300 0.026 0.000 1.020 1454 R CA -0.012 56.114 56.100 0.043 0.000 0.864 1454 R CB 0.867 31.205 30.300 0.064 0.000 1.105 1454 R HN 0.060 nan 8.270 nan 0.000 0.463 1455 S N 2.385 118.100 115.700 0.025 0.000 2.624 1455 S HA 0.026 4.494 4.470 -0.004 0.000 0.263 1455 S C 0.629 175.236 174.600 0.011 0.000 1.287 1455 S CA -0.541 57.667 58.200 0.013 0.000 0.990 1455 S CB 1.112 64.318 63.200 0.010 0.000 0.950 1455 S HN 0.585 nan 8.310 nan 0.000 0.561 1456 E N 0.653 120.856 120.200 0.005 0.000 2.478 1456 E HA -0.019 4.329 4.350 -0.004 0.000 0.194 1456 E C 1.237 177.835 176.600 -0.003 0.000 1.045 1456 E CA 0.355 56.756 56.400 0.002 0.000 0.868 1456 E CB -0.016 29.684 29.700 0.001 0.000 0.885 1456 E HN 0.721 nan 8.360 nan 0.000 0.505 1457 E N 0.412 120.610 120.200 -0.003 0.000 2.442 1457 E HA 0.031 4.379 4.350 -0.004 0.000 0.195 1457 E C -0.130 176.462 176.600 -0.013 0.000 1.030 1457 E CA 0.140 56.536 56.400 -0.008 0.000 0.869 1457 E CB 0.158 29.855 29.700 -0.006 0.000 0.857 1457 E HN 0.062 nan 8.360 nan 0.000 0.505 1458 D N 1.532 121.926 120.400 -0.010 0.000 2.264 1458 D HA 0.236 4.874 4.640 -0.004 0.000 0.249 1458 D C 0.345 176.619 176.300 -0.044 0.000 1.070 1458 D CA -0.173 53.814 54.000 -0.021 0.000 0.912 1458 D CB 1.218 42.020 40.800 0.003 0.000 1.193 1458 D HN 0.153 nan 8.370 nan 0.000 0.427 1459 G N 1.566 110.314 108.800 -0.087 0.000 2.398 1459 G HA2 0.342 4.300 3.960 -0.004 0.000 0.246 1459 G HA3 0.342 4.300 3.960 -0.004 0.000 0.246 1459 G C -2.089 172.712 174.900 -0.164 0.000 1.289 1459 G CA -0.705 44.324 45.100 -0.120 0.000 0.869 1459 G HN 0.245 nan 8.290 nan 0.000 0.543 1460 P HA 0.104 nan 4.420 nan 0.000 0.267 1460 P C -0.603 176.621 177.300 -0.126 0.000 1.201 1460 P CA 0.063 63.133 63.100 -0.049 0.000 0.775 1460 P CB 0.404 32.095 31.700 -0.015 0.000 0.854 1461 F N 1.162 121.096 119.950 -0.027 0.000 2.410 1461 F HA 0.134 4.658 4.527 -0.004 0.000 0.349 1461 F C 0.695 176.493 175.800 -0.002 0.000 1.117 1461 F CA -0.271 57.713 58.000 -0.027 0.000 1.104 1461 F CB 0.683 39.623 39.000 -0.099 0.000 1.122 1461 F HN 0.176 nan 8.300 nan 0.000 0.483 1462 D N 4.615 125.127 120.400 0.187 0.000 2.383 1462 D HA 0.023 4.660 4.640 -0.004 0.000 0.245 1462 D C 1.053 177.478 176.300 0.208 0.000 1.263 1462 D CA 0.233 54.324 54.000 0.151 0.000 0.936 1462 D CB 0.543 41.409 40.800 0.110 0.000 1.053 1462 D HN 0.666 nan 8.370 nan 0.000 0.507 1463 E N 0.868 121.162 120.200 0.156 0.000 2.070 1463 E HA -0.174 4.174 4.350 -0.004 0.000 0.197 1463 E C 1.432 178.120 176.600 0.147 0.000 1.004 1463 E CA 1.441 57.921 56.400 0.134 0.000 0.805 1463 E CB 0.121 29.861 29.700 0.067 0.000 0.744 1463 E HN 0.415 nan 8.360 nan 0.000 0.451 1464 T N 1.122 115.741 114.554 0.109 0.000 2.699 1464 T HA -0.237 4.110 4.350 -0.004 0.000 0.268 1464 T C 1.942 176.704 174.700 0.104 0.000 1.036 1464 T CA 1.428 63.583 62.100 0.091 0.000 1.147 1464 T CB -0.323 68.586 68.868 0.067 0.000 0.862 1464 T HN 0.271 nan 8.240 nan 0.000 0.446 1465 A N 0.769 123.662 122.820 0.122 0.000 1.825 1465 A HA -0.036 4.281 4.320 -0.004 0.000 0.214 1465 A C 2.095 179.767 177.584 0.147 0.000 1.206 1465 A CA 1.545 53.652 52.037 0.117 0.000 0.609 1465 A CB -1.400 17.669 19.000 0.116 0.000 0.851 1465 A HN 0.527 nan 8.150 nan 0.000 0.445 1466 Y N 0.460 120.818 120.300 0.096 0.000 2.181 1466 Y HA -0.248 4.300 4.550 -0.004 0.000 0.284 1466 Y C 2.096 178.023 175.900 0.045 0.000 1.179 1466 Y CA 1.992 60.149 58.100 0.095 0.000 1.179 1466 Y CB -0.154 38.399 38.460 0.154 0.000 0.973 1466 Y HN 0.236 nan 8.280 nan 0.000 0.519 1467 L N -0.659 120.727 121.223 0.272 0.000 2.027 1467 L HA -0.216 4.122 4.340 -0.004 0.000 0.206 1467 L C 2.633 179.550 176.870 0.078 0.000 1.074 1467 L CA 1.332 56.275 54.840 0.173 0.000 0.745 1467 L CB -0.561 41.585 42.059 0.146 0.000 0.898 1467 L HN 0.202 nan 8.230 nan 0.000 0.433 1468 R N 0.249 120.792 120.500 0.071 0.000 2.148 1468 R HA -0.227 4.111 4.340 -0.004 0.000 0.230 1468 R C 2.149 178.458 176.300 0.015 0.000 1.120 1468 R CA 2.023 58.152 56.100 0.048 0.000 0.902 1468 R CB -0.494 29.834 30.300 0.047 0.000 0.839 1468 R HN 0.375 nan 8.270 nan 0.000 0.431 1469 E N -0.171 120.018 120.200 -0.019 0.000 2.108 1469 E HA -0.265 4.083 4.350 -0.004 0.000 0.203 1469 E C 2.148 178.712 176.600 -0.061 0.000 1.022 1469 E CA 1.258 57.629 56.400 -0.048 0.000 0.823 1469 E CB -0.097 29.541 29.700 -0.103 0.000 0.744 1469 E HN 0.198 nan 8.360 nan 0.000 0.456 1470 R N -0.041 120.374 120.500 -0.142 0.000 2.090 1470 R HA -0.060 4.278 4.340 -0.004 0.000 0.228 1470 R C 2.606 178.863 176.300 -0.071 0.000 1.110 1470 R CA 1.692 57.693 56.100 -0.165 0.000 0.973 1470 R CB -1.032 29.128 30.300 -0.233 0.000 0.869 1470 R HN 0.396 nan 8.270 nan 0.000 0.440 1471 T N -0.838 113.697 114.554 -0.032 0.000 2.668 1471 T HA -0.084 4.264 4.350 -0.004 0.000 0.262 1471 T C 1.663 176.383 174.700 0.032 0.000 1.045 1471 T CA 0.982 63.066 62.100 -0.027 0.000 1.152 1471 T CB -0.337 68.602 68.868 0.119 0.000 0.864 1471 T HN 0.264 nan 8.240 nan 0.000 0.419 1472 E N 0.646 120.882 120.200 0.060 0.000 2.136 1472 E HA -0.308 4.039 4.350 -0.004 0.000 0.202 1472 E C 2.247 178.887 176.600 0.066 0.000 1.019 1472 E CA 1.661 58.099 56.400 0.064 0.000 0.819 1472 E CB -0.412 29.318 29.700 0.050 0.000 0.739 1472 E HN 0.624 nan 8.360 nan 0.000 0.458 1473 H N 0.960 120.012 119.070 -0.030 0.000 2.357 1473 H HA -0.065 4.489 4.556 -0.004 0.000 0.301 1473 H C 2.016 177.347 175.328 0.004 0.000 1.082 1473 H CA 1.424 57.458 56.048 -0.024 0.000 1.342 1473 H CB -0.054 29.676 29.762 -0.053 0.000 1.389 1473 H HN 0.167 nan 8.280 nan 0.000 0.511 1474 I N 0.792 121.475 120.570 0.189 0.000 2.315 1474 I HA -0.194 3.974 4.170 -0.004 0.000 0.248 1474 I C 2.537 178.732 176.117 0.130 0.000 1.117 1474 I CA 0.814 62.200 61.300 0.144 0.000 1.404 1474 I CB -0.191 37.684 38.000 -0.208 0.000 1.071 1474 I HN 0.185 nan 8.210 nan 0.000 0.419 1475 E N 1.221 121.472 120.200 0.084 0.000 2.017 1475 E HA -0.199 4.149 4.350 -0.004 0.000 0.193 1475 E C 2.281 178.908 176.600 0.045 0.000 0.997 1475 E CA 1.283 57.746 56.400 0.104 0.000 0.804 1475 E CB -0.315 29.446 29.700 0.102 0.000 0.757 1475 E HN 0.454 nan 8.360 nan 0.000 0.448 1476 R N 0.530 121.020 120.500 -0.017 0.000 2.097 1476 R HA -0.200 4.137 4.340 -0.004 0.000 0.236 1476 R C 2.384 178.619 176.300 -0.109 0.000 1.135 1476 R CA 1.744 57.799 56.100 -0.075 0.000 0.934 1476 R CB -0.386 29.833 30.300 -0.134 0.000 0.846 1476 R HN 0.076 nan 8.270 nan 0.000 0.431 1477 E N 0.432 120.525 120.200 -0.178 0.000 2.209 1477 E HA -0.164 4.184 4.350 -0.004 0.000 0.196 1477 E C 1.585 178.096 176.600 -0.149 0.000 0.993 1477 E CA 1.376 57.667 56.400 -0.182 0.000 0.819 1477 E CB -0.070 29.547 29.700 -0.138 0.000 0.745 1477 E HN 0.398 nan 8.360 nan 0.000 0.477 1478 A N 0.601 123.418 122.820 -0.004 0.000 1.832 1478 A HA -0.148 4.170 4.320 -0.004 0.000 0.214 1478 A C 2.184 179.744 177.584 -0.039 0.000 1.200 1478 A CA 1.614 53.663 52.037 0.019 0.000 0.610 1478 A CB -0.558 18.545 19.000 0.171 0.000 0.842 1478 A HN 0.209 nan 8.150 nan 0.000 0.444 1479 R N -0.923 119.571 120.500 -0.009 0.000 2.113 1479 R HA -0.203 4.134 4.340 -0.004 0.000 0.244 1479 R C 2.565 178.834 176.300 -0.051 0.000 1.142 1479 R CA 1.940 58.029 56.100 -0.018 0.000 0.953 1479 R CB -0.404 29.892 30.300 -0.005 0.000 0.860 1479 R HN 0.532 nan 8.270 nan 0.000 0.438 1480 R N 0.462 120.914 120.500 -0.080 0.000 2.094 1480 R HA -0.239 4.099 4.340 -0.004 0.000 0.239 1480 R C 2.276 178.504 176.300 -0.119 0.000 1.137 1480 R CA 1.961 58.001 56.100 -0.100 0.000 0.943 1480 R CB -0.136 30.087 30.300 -0.129 0.000 0.850 1480 R HN 0.120 nan 8.270 nan 0.000 0.433 1481 Q N 0.515 120.215 119.800 -0.167 0.000 2.124 1481 Q HA -0.123 4.215 4.340 -0.004 0.000 0.202 1481 Q C 1.652 177.580 176.000 -0.120 0.000 0.977 1481 Q CA 1.561 57.247 55.803 -0.195 0.000 0.850 1481 Q CB 0.016 28.551 28.738 -0.339 0.000 0.901 1481 Q HN 0.361 nan 8.270 nan 0.000 0.429 1482 E N -0.644 119.506 120.200 -0.082 0.000 2.000 1482 E HA -0.219 4.128 4.350 -0.004 0.000 0.199 1482 E C 1.826 178.410 176.600 -0.027 0.000 1.011 1482 E CA 1.085 57.462 56.400 -0.038 0.000 0.836 1482 E CB -0.305 29.386 29.700 -0.017 0.000 0.778 1482 E HN 0.410 nan 8.360 nan 0.000 0.462 1483 A N 1.547 124.350 122.820 -0.028 0.000 1.958 1483 A HA -0.287 4.030 4.320 -0.004 0.000 0.221 1483 A C 1.930 179.493 177.584 -0.035 0.000 1.178 1483 A CA 1.905 53.928 52.037 -0.023 0.000 0.642 1483 A CB -0.645 18.340 19.000 -0.025 0.000 0.816 1483 A HN 0.293 nan 8.150 nan 0.000 0.453 1484 E N -0.703 119.464 120.200 -0.056 0.000 2.110 1484 E HA -0.117 4.231 4.350 -0.004 0.000 0.193 1484 E C 2.328 178.891 176.600 -0.061 0.000 0.988 1484 E CA 0.974 57.330 56.400 -0.073 0.000 0.804 1484 E CB -0.255 29.387 29.700 -0.097 0.000 0.745 1484 E HN 0.661 nan 8.360 nan 0.000 0.458 1485 A N 1.062 123.868 122.820 -0.024 0.000 1.929 1485 A HA -0.193 4.124 4.320 -0.004 0.000 0.216 1485 A C 2.062 179.714 177.584 0.114 0.000 1.176 1485 A CA 1.056 53.125 52.037 0.052 0.000 0.628 1485 A CB -0.346 18.711 19.000 0.095 0.000 0.816 1485 A HN 0.156 nan 8.150 nan 0.000 0.444 1486 Q N -0.740 119.096 119.800 0.060 0.000 2.096 1486 Q HA -0.168 4.169 4.340 -0.004 0.000 0.204 1486 Q C 2.082 178.106 176.000 0.039 0.000 0.982 1486 Q CA 2.084 57.923 55.803 0.060 0.000 0.850 1486 Q CB -0.258 28.492 28.738 0.021 0.000 0.901 1486 Q HN 0.627 nan 8.270 nan 0.000 0.422 1487 T N 0.215 114.761 114.554 -0.014 0.000 2.652 1487 T HA -0.157 4.190 4.350 -0.004 0.000 0.267 1487 T C 1.776 176.424 174.700 -0.087 0.000 1.039 1487 T CA 1.721 63.787 62.100 -0.058 0.000 1.153 1487 T CB -0.284 68.528 68.868 -0.092 0.000 0.863 1487 T HN 0.500 nan 8.240 nan 0.000 0.428 1488 S N -0.237 115.371 115.700 -0.153 0.000 2.603 1488 S HA 0.138 4.606 4.470 -0.004 0.000 0.229 1488 S C 1.222 175.562 174.600 -0.432 0.000 0.972 1488 S CA 0.369 58.373 58.200 -0.326 0.000 0.935 1488 S CB -0.460 62.460 63.200 -0.467 0.000 0.769 1488 S HN 0.535 nan 8.310 nan 0.000 0.536 1489 F N 0.129 120.108 119.950 0.049 0.000 2.817 1489 F HA 0.438 4.963 4.527 -0.004 0.000 0.333 1489 F C 2.003 177.835 175.800 0.054 0.000 1.085 1489 F CA -0.197 57.826 58.000 0.038 0.000 1.170 1489 F CB 0.848 39.821 39.000 -0.046 0.000 1.066 1489 F HN 0.362 nan 8.300 nan 0.000 0.564 1490 G N -0.342 108.610 108.800 0.254 0.000 2.906 1490 G HA2 -0.001 3.957 3.960 -0.004 0.000 0.200 1490 G HA3 -0.001 3.957 3.960 -0.004 0.000 0.200 1490 G C 1.189 176.249 174.900 0.267 0.000 1.101 1490 G CA 0.101 45.320 45.100 0.199 0.000 0.760 1490 G HN 0.050 nan 8.290 nan 0.000 0.694 1491 N N 0.905 119.661 118.700 0.093 0.000 2.182 1491 N HA -0.018 4.719 4.740 -0.004 0.000 0.186 1491 N C 1.009 176.401 175.510 -0.197 0.000 1.036 1491 N CA 0.887 53.938 53.050 0.003 0.000 0.850 1491 N CB 0.188 38.648 38.487 -0.045 0.000 1.010 1491 N HN 0.282 nan 8.380 nan 0.000 0.432 1492 E N 0.661 120.670 120.200 -0.319 0.000 2.496 1492 E HA 0.051 4.398 4.350 -0.004 0.000 0.200 1492 E C 0.514 176.722 176.600 -0.654 0.000 1.016 1492 E CA -0.286 55.701 56.400 -0.689 0.000 0.962 1492 E CB -0.000 29.416 29.700 -0.473 0.000 1.071 1492 E HN 0.398 nan 8.360 nan 0.000 0.457 1493 F N -0.157 119.596 119.950 -0.328 0.000 2.546 1493 F HA -0.058 4.467 4.527 -0.004 0.000 0.298 1493 F C 1.547 177.328 175.800 -0.032 0.000 1.120 1493 F CA 0.107 58.020 58.000 -0.144 0.000 1.456 1493 F CB -0.519 38.500 39.000 0.032 0.000 1.088 1493 F HN 0.128 nan 8.300 nan 0.000 0.572 1494 W N 1.389 122.314 121.300 -0.625 0.000 3.220 1494 W HA 0.348 5.006 4.660 -0.004 0.000 0.328 1494 W C 0.416 176.820 176.519 -0.192 0.000 1.205 1494 W CA -0.697 56.419 57.345 -0.382 0.000 1.773 1494 W CB -0.997 28.125 29.460 -0.564 0.000 1.086 1494 W HN -0.025 nan 8.180 nan 0.000 0.622 1495 R N 3.173 123.415 120.500 -0.431 0.000 2.413 1495 R HA -0.019 4.319 4.340 -0.004 0.000 0.333 1495 R C 0.947 177.179 176.300 -0.113 0.000 1.074 1495 R CA 0.407 56.289 56.100 -0.364 0.000 0.982 1495 R CB -0.202 29.823 30.300 -0.458 0.000 0.981 1495 R HN 0.283 nan 8.270 nan 0.000 0.452 1496 R N 2.226 122.724 120.500 -0.004 0.000 3.908 1496 R HA -0.183 4.155 4.340 -0.004 0.000 0.381 1496 R C -0.977 175.346 176.300 0.037 0.000 1.135 1496 R CA 1.126 57.235 56.100 0.016 0.000 0.990 1496 R CB -1.198 29.089 30.300 -0.022 0.000 1.557 1496 R HN 0.717 nan 8.270 nan 0.000 0.535 1497 D N 0.083 120.526 120.400 0.071 0.000 2.346 1497 D HA 0.059 4.696 4.640 -0.004 0.000 0.260 1497 D C 0.947 177.298 176.300 0.085 0.000 1.252 1497 D CA 0.841 54.893 54.000 0.087 0.000 0.895 1497 D CB 1.436 42.316 40.800 0.134 0.000 1.097 1497 D HN 0.224 nan 8.370 nan 0.000 0.489 1498 S N 3.970 119.708 115.700 0.064 0.000 2.465 1498 S HA -0.152 4.316 4.470 -0.004 0.000 0.241 1498 S C 1.268 175.907 174.600 0.065 0.000 1.000 1498 S CA 1.044 59.278 58.200 0.058 0.000 0.964 1498 S CB 0.043 63.270 63.200 0.045 0.000 0.763 1498 S HN 0.541 nan 8.310 nan 0.000 0.512 1499 R N -0.109 120.436 120.500 0.075 0.000 2.509 1499 R HA 0.434 4.771 4.340 -0.004 0.000 0.300 1499 R C -0.528 175.822 176.300 0.083 0.000 0.985 1499 R CA 0.036 56.179 56.100 0.072 0.000 1.092 1499 R CB 0.468 30.809 30.300 0.068 0.000 1.237 1499 R HN 0.376 nan 8.270 nan 0.000 0.546 1500 I N 1.181 121.810 120.570 0.098 0.000 2.500 1500 I HA 0.285 4.453 4.170 -0.004 0.000 0.286 1500 I C -0.290 175.865 176.117 0.063 0.000 1.063 1500 I CA -0.973 60.386 61.300 0.097 0.000 1.062 1500 I CB 1.966 40.067 38.000 0.168 0.000 1.223 1500 I HN -0.010 nan 8.210 nan 0.000 0.435 1501 A N 7.934 130.767 122.820 0.021 0.000 2.520 1501 A HA 0.319 4.637 4.320 -0.004 0.000 0.245 1501 A C -1.729 175.781 177.584 -0.124 0.000 1.072 1501 A CA -0.825 51.201 52.037 -0.017 0.000 0.761 1501 A CB -0.114 18.880 19.000 -0.010 0.000 1.004 1501 A HN 0.542 nan 8.150 nan 0.000 0.499 1502 P HA -0.181 nan 4.420 nan 0.000 0.217 1502 P C 1.510 178.444 177.300 -0.609 0.000 1.148 1502 P CA 0.914 63.808 63.100 -0.343 0.000 0.828 1502 P CB 0.075 31.703 31.700 -0.120 0.000 0.783 1503 L N -1.444 119.572 121.223 -0.345 0.000 1.994 1503 L HA -0.208 4.130 4.340 -0.004 0.000 0.208 1503 L C 2.779 179.456 176.870 -0.321 0.000 1.071 1503 L CA 1.555 56.208 54.840 -0.311 0.000 0.745 1503 L CB -0.442 41.504 42.059 -0.189 0.000 0.892 1503 L HN -0.100 nan 8.230 nan 0.000 0.431 1504 R N -0.025 120.330 120.500 -0.242 0.000 2.103 1504 R HA -0.176 4.161 4.340 -0.004 0.000 0.234 1504 R C 2.062 178.191 176.300 -0.285 0.000 1.132 1504 R CA 1.692 57.688 56.100 -0.174 0.000 0.925 1504 R CB -1.453 28.797 30.300 -0.083 0.000 0.842 1504 R HN 0.491 nan 8.270 nan 0.000 0.430 1505 G N 0.410 108.906 108.800 -0.507 0.000 2.721 1505 G HA2 -0.354 3.603 3.960 -0.004 0.000 0.218 1505 G HA3 -0.354 3.603 3.960 -0.004 0.000 0.218 1505 G C 1.551 175.740 174.900 -1.184 0.000 1.265 1505 G CA 2.133 46.614 45.100 -1.032 0.000 0.796 1505 G HN 0.533 nan 8.290 nan 0.000 0.620 1506 A N 0.026 121.917 122.820 -1.549 0.000 1.958 1506 A HA -0.037 4.280 4.320 -0.004 0.000 0.221 1506 A C 2.536 180.046 177.584 -0.123 0.000 1.178 1506 A CA 1.803 53.434 52.037 -0.676 0.000 0.642 1506 A CB -0.416 18.251 19.000 -0.554 0.000 0.816 1506 A HN 0.412 nan 8.150 nan 0.000 0.453 1507 L N -1.358 119.760 121.223 -0.176 0.000 2.044 1507 L HA -0.122 4.215 4.340 -0.004 0.000 0.205 1507 L C 3.127 180.077 176.870 0.133 0.000 1.075 1507 L CA 0.979 55.818 54.840 -0.002 0.000 0.747 1507 L CB -0.553 41.462 42.059 -0.074 0.000 0.903 1507 L HN 0.440 nan 8.230 nan 0.000 0.435 1508 A N -0.177 122.708 122.820 0.108 0.000 1.978 1508 A HA -0.253 4.065 4.320 -0.004 0.000 0.220 1508 A C 2.314 180.079 177.584 0.302 0.000 1.170 1508 A CA 2.171 54.340 52.037 0.220 0.000 0.636 1508 A CB -1.026 18.144 19.000 0.283 0.000 0.810 1508 A HN 0.523 nan 8.150 nan 0.000 0.448 1509 T N -4.565 110.202 114.554 0.355 0.000 3.077 1509 T HA -0.149 4.199 4.350 -0.004 0.000 0.269 1509 T C 0.905 175.503 174.700 -0.170 0.000 1.146 1509 T CA 1.290 63.543 62.100 0.256 0.000 1.091 1509 T CB -0.522 68.483 68.868 0.228 0.000 0.892 1509 T HN 0.636 nan 8.240 nan 0.000 0.533 1510 W N 0.319 121.741 121.300 0.203 0.000 2.702 1510 W HA 0.569 5.227 4.660 -0.004 0.000 0.369 1510 W C 1.301 177.975 176.519 0.257 0.000 0.987 1510 W CA -0.389 57.086 57.345 0.218 0.000 1.702 1510 W CB 0.332 29.893 29.460 0.168 0.000 1.138 1510 W HN 0.322 nan 8.180 nan 0.000 0.552 1511 G N 1.773 110.765 108.800 0.320 0.000 2.303 1511 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.260 1511 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.260 1511 G C -0.740 174.310 174.900 0.250 0.000 1.106 1511 G CA -0.318 44.925 45.100 0.239 0.000 0.900 1511 G HN 0.183 nan 8.290 nan 0.000 0.495 1512 L N -0.132 121.218 121.223 0.212 0.000 2.409 1512 L HA 0.840 5.178 4.340 -0.004 0.000 0.262 1512 L C 0.640 177.567 176.870 0.094 0.000 0.992 1512 L CA -0.627 54.304 54.840 0.151 0.000 0.817 1512 L CB 2.509 44.628 42.059 0.100 0.000 1.350 1512 L HN 0.364 nan 8.230 nan 0.000 0.411 1513 T N -2.781 111.816 114.554 0.072 0.000 2.905 1513 T HA 0.512 4.859 4.350 -0.004 0.000 0.283 1513 T C 1.222 175.932 174.700 0.017 0.000 1.031 1513 T CA -0.806 61.320 62.100 0.043 0.000 1.002 1513 T CB 1.178 70.079 68.868 0.056 0.000 1.200 1513 T HN 0.446 nan 8.240 nan 0.000 0.560 1514 I N -0.066 120.503 120.570 -0.003 0.000 2.423 1514 I HA -0.138 4.030 4.170 -0.004 0.000 0.254 1514 I C 1.587 177.701 176.117 -0.005 0.000 1.151 1514 I CA 1.239 62.525 61.300 -0.024 0.000 1.421 1514 I CB -0.667 37.308 38.000 -0.042 0.000 1.079 1514 I HN 0.486 nan 8.210 nan 0.000 0.431 1515 D N 0.974 121.389 120.400 0.026 0.000 2.310 1515 D HA -0.124 4.513 4.640 -0.004 0.000 0.212 1515 D C 1.683 178.016 176.300 0.055 0.000 0.965 1515 D CA 0.947 54.971 54.000 0.040 0.000 0.879 1515 D CB -0.227 40.633 40.800 0.100 0.000 0.921 1515 D HN 0.447 nan 8.370 nan 0.000 0.510 1516 D N -0.083 120.349 120.400 0.053 0.000 2.323 1516 D HA -0.060 4.578 4.640 -0.004 0.000 0.209 1516 D C 0.730 177.047 176.300 0.028 0.000 0.973 1516 D CA -0.080 53.955 54.000 0.058 0.000 0.874 1516 D CB 0.433 41.266 40.800 0.055 0.000 0.930 1516 D HN 0.129 nan 8.370 nan 0.000 0.521 1517 L N 1.881 123.106 121.223 0.002 0.000 2.678 1517 L HA 0.108 4.445 4.340 -0.004 0.000 0.276 1517 L C 1.337 178.231 176.870 0.039 0.000 1.142 1517 L CA 0.168 55.004 54.840 -0.008 0.000 0.961 1517 L CB 0.634 42.673 42.059 -0.033 0.000 1.291 1517 L HN -0.133 nan 8.230 nan 0.000 0.476 1518 G N 4.062 112.905 108.800 0.072 0.000 2.447 1518 G HA2 0.104 4.062 3.960 -0.004 0.000 0.211 1518 G HA3 0.104 4.062 3.960 -0.004 0.000 0.211 1518 G C 0.198 175.167 174.900 0.115 0.000 1.184 1518 G CA 0.151 45.317 45.100 0.110 0.000 0.813 1518 G HN 0.384 nan 8.290 nan 0.000 0.540 1519 V N 0.824 120.814 119.914 0.128 0.000 2.513 1519 V HA 0.724 4.842 4.120 -0.004 0.000 0.299 1519 V C -0.306 175.856 176.094 0.113 0.000 1.035 1519 V CA -0.762 61.607 62.300 0.115 0.000 0.889 1519 V CB 1.534 33.420 31.823 0.104 0.000 0.988 1519 V HN 0.459 nan 8.190 nan 0.000 0.440 1520 A N 2.980 125.854 122.820 0.090 0.000 2.291 1520 A HA 0.679 4.997 4.320 -0.004 0.000 0.311 1520 A C -0.052 177.554 177.584 0.037 0.000 1.224 1520 A CA -0.353 51.705 52.037 0.035 0.000 0.821 1520 A CB 1.237 20.227 19.000 -0.018 0.000 1.172 1520 A HN 0.688 nan 8.150 nan 0.000 0.494 1521 S N 2.105 117.790 115.700 -0.025 0.000 2.499 1521 S HA 0.606 5.073 4.470 -0.004 0.000 0.275 1521 S C -0.701 173.879 174.600 -0.034 0.000 1.257 1521 S CA -0.122 58.067 58.200 -0.017 0.000 1.050 1521 S CB -0.394 62.779 63.200 -0.045 0.000 0.937 1521 S HN 0.374 nan 8.310 nan 0.000 0.490 1522 F N 3.360 123.223 119.950 -0.145 0.000 2.397 1522 F HA 0.362 4.886 4.527 -0.004 0.000 0.331 1522 F C 1.458 177.372 175.800 0.190 0.000 1.090 1522 F CA -0.613 57.414 58.000 0.045 0.000 1.065 1522 F CB 0.872 39.915 39.000 0.073 0.000 1.184 1522 F HN 0.728 nan 8.300 nan 0.000 0.499 1523 H N 2.686 121.920 119.070 0.273 0.000 2.251 1523 H HA -0.059 4.495 4.556 -0.004 0.000 0.294 1523 H C 1.472 176.949 175.328 0.249 0.000 1.078 1523 H CA 1.439 57.605 56.048 0.196 0.000 1.246 1523 H CB -0.641 29.263 29.762 0.238 0.000 1.358 1523 H HN 0.761 nan 8.280 nan 0.000 0.488 1524 G N 0.090 109.138 108.800 0.413 0.000 2.290 1524 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.270 1524 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.270 1524 G C 0.771 175.738 174.900 0.112 0.000 0.891 1524 G CA 0.919 46.228 45.100 0.349 0.000 1.321 1524 G HN 0.812 nan 8.290 nan 0.000 0.425 1525 T N -1.661 112.894 114.554 0.001 0.000 3.188 1525 T HA 0.469 4.816 4.350 -0.004 0.000 0.250 1525 T C 1.424 176.178 174.700 0.090 0.000 1.077 1525 T CA 0.969 63.053 62.100 -0.027 0.000 0.967 1525 T CB 0.435 69.243 68.868 -0.099 0.000 1.006 1525 T HN 1.962 nan 8.240 nan 0.000 0.552 1526 S N 0.734 116.459 115.700 0.041 0.000 3.228 1526 S HA -0.199 4.269 4.470 -0.004 0.000 0.282 1526 S C 0.502 175.125 174.600 0.038 0.000 1.286 1526 S CA 1.073 59.286 58.200 0.022 0.000 1.066 1526 S CB -2.266 60.965 63.200 0.050 0.000 1.277 1526 S HN 1.185 nan 8.310 nan 0.000 0.661 1527 T N -1.016 113.575 114.554 0.061 0.000 2.899 1527 T HA 0.647 4.994 4.350 -0.004 0.000 0.284 1527 T C 1.577 176.282 174.700 0.008 0.000 1.004 1527 T CA -0.319 61.817 62.100 0.059 0.000 1.043 1527 T CB 1.459 70.382 68.868 0.093 0.000 1.013 1527 T HN 0.270 nan 8.240 nan 0.000 0.518 1528 V N 1.494 121.410 119.914 0.002 0.000 2.261 1528 V HA -0.097 4.021 4.120 -0.004 0.000 0.246 1528 V C 3.033 179.114 176.094 -0.022 0.000 1.047 1528 V CA 2.123 64.414 62.300 -0.015 0.000 1.015 1528 V CB -1.717 30.100 31.823 -0.010 0.000 0.642 1528 V HN 1.074 nan 8.190 nan 0.000 0.446 1529 A N 0.535 123.341 122.820 -0.023 0.000 1.935 1529 A HA -0.153 4.165 4.320 -0.004 0.000 0.214 1529 A C 2.056 179.598 177.584 -0.070 0.000 1.178 1529 A CA 1.545 53.559 52.037 -0.039 0.000 0.640 1529 A CB -0.863 18.112 19.000 -0.042 0.000 0.825 1529 A HN 0.608 nan 8.150 nan 0.000 0.447 1530 N N 0.131 118.787 118.700 -0.073 0.000 2.430 1530 N HA -0.151 4.587 4.740 -0.004 0.000 0.186 1530 N C 0.797 176.259 175.510 -0.081 0.000 1.032 1530 N CA 1.733 54.714 53.050 -0.115 0.000 0.893 1530 N CB -0.087 38.378 38.487 -0.037 0.000 0.957 1530 N HN 0.432 nan 8.380 nan 0.000 0.442 1531 D N -0.658 119.715 120.400 -0.045 0.000 2.324 1531 D HA -0.013 4.625 4.640 -0.004 0.000 0.212 1531 D C 1.496 177.763 176.300 -0.055 0.000 0.984 1531 D CA 0.326 54.309 54.000 -0.030 0.000 0.885 1531 D CB -0.011 40.730 40.800 -0.097 0.000 0.996 1531 D HN 0.255 nan 8.370 nan 0.000 0.505 1532 K N 0.963 121.338 120.400 -0.041 0.000 1.978 1532 K HA -0.172 4.146 4.320 -0.004 0.000 0.214 1532 K C 1.916 178.475 176.600 -0.068 0.000 1.049 1532 K CA 1.182 57.472 56.287 0.004 0.000 0.939 1532 K CB -0.170 32.366 32.500 0.060 0.000 0.721 1532 K HN -0.082 nan 8.250 nan 0.000 0.441 1533 N N 1.079 119.733 118.700 -0.078 0.000 2.037 1533 N HA -0.222 4.516 4.740 -0.004 0.000 0.196 1533 N C 1.620 177.041 175.510 -0.148 0.000 1.034 1533 N CA 1.884 54.857 53.050 -0.128 0.000 0.861 1533 N CB -0.078 38.266 38.487 -0.238 0.000 1.039 1533 N HN 0.221 nan 8.380 nan 0.000 0.427 1534 E N -0.389 119.721 120.200 -0.150 0.000 2.033 1534 E HA -0.188 4.160 4.350 -0.004 0.000 0.199 1534 E C 2.052 178.778 176.600 0.209 0.000 1.011 1534 E CA 1.549 57.980 56.400 0.053 0.000 0.815 1534 E CB -0.232 29.670 29.700 0.336 0.000 0.755 1534 E HN 0.367 nan 8.360 nan 0.000 0.451 1535 S N 0.930 116.732 115.700 0.170 0.000 2.359 1535 S HA -0.229 4.239 4.470 -0.004 0.000 0.222 1535 S C 1.678 176.050 174.600 -0.380 0.000 1.038 1535 S CA 1.536 59.650 58.200 -0.143 0.000 1.051 1535 S CB -0.514 62.176 63.200 -0.851 0.000 0.944 1535 S HN 0.294 nan 8.310 nan 0.000 0.433 1536 D N 0.821 120.913 120.400 -0.515 0.000 2.170 1536 D HA -0.123 4.515 4.640 -0.004 0.000 0.193 1536 D C 1.826 178.164 176.300 0.064 0.000 1.004 1536 D CA 1.126 55.128 54.000 0.003 0.000 0.860 1536 D CB -0.370 40.524 40.800 0.156 0.000 0.931 1536 D HN 0.214 nan 8.370 nan 0.000 0.448 1537 V N 0.496 120.430 119.914 0.033 0.000 2.255 1537 V HA -0.157 3.960 4.120 -0.004 0.000 0.243 1537 V C 2.705 178.816 176.094 0.027 0.000 1.038 1537 V CA 1.194 63.526 62.300 0.053 0.000 1.008 1537 V CB -0.370 31.520 31.823 0.112 0.000 0.645 1537 V HN 0.251 nan 8.190 nan 0.000 0.449 1538 I N -0.693 119.885 120.570 0.014 0.000 2.315 1538 I HA -0.344 3.823 4.170 -0.004 0.000 0.251 1538 I C 2.545 178.665 176.117 0.006 0.000 1.125 1538 I CA 1.518 62.802 61.300 -0.027 0.000 1.392 1538 I CB -0.177 37.764 38.000 -0.097 0.000 1.065 1538 I HN 0.491 nan 8.210 nan 0.000 0.424 1539 C N 0.426 119.765 119.300 0.066 0.000 2.548 1539 C HA -0.177 4.280 4.460 -0.004 0.000 0.284 1539 C C 2.805 177.794 174.990 -0.003 0.000 1.252 1539 C CA 1.036 60.116 59.018 0.104 0.000 1.725 1539 C CB -0.961 26.970 27.740 0.318 0.000 2.098 1539 C HN 0.479 nan 8.230 nan 0.000 0.471 1540 Q N -0.146 119.686 119.800 0.053 0.000 2.156 1540 Q HA -0.312 4.026 4.340 -0.004 0.000 0.211 1540 Q C 2.265 178.248 176.000 -0.029 0.000 0.995 1540 Q CA 2.095 57.910 55.803 0.020 0.000 0.877 1540 Q CB -0.347 28.409 28.738 0.031 0.000 0.920 1540 Q HN 0.740 nan 8.270 nan 0.000 0.416 1541 Q N 0.297 120.072 119.800 -0.042 0.000 1.956 1541 Q HA -0.205 4.133 4.340 -0.004 0.000 0.208 1541 Q C 2.306 178.251 176.000 -0.092 0.000 0.998 1541 Q CA 1.496 57.266 55.803 -0.055 0.000 0.855 1541 Q CB -0.316 28.382 28.738 -0.067 0.000 0.928 1541 Q HN 0.414 nan 8.270 nan 0.000 0.418 1542 L N 0.733 121.853 121.223 -0.171 0.000 2.013 1542 L HA -0.262 4.075 4.340 -0.004 0.000 0.212 1542 L C 2.708 179.332 176.870 -0.409 0.000 1.073 1542 L CA 1.361 56.032 54.840 -0.282 0.000 0.753 1542 L CB -0.625 41.217 42.059 -0.363 0.000 0.890 1542 L HN 0.278 nan 8.230 nan 0.000 0.432 1543 K N 0.114 120.194 120.400 -0.534 0.000 1.969 1543 K HA -0.302 4.016 4.320 -0.004 0.000 0.216 1543 K C 2.199 178.723 176.600 -0.126 0.000 1.048 1543 K CA 2.323 58.356 56.287 -0.424 0.000 0.948 1543 K CB -0.422 31.948 32.500 -0.217 0.000 0.726 1543 K HN 0.353 nan 8.250 nan 0.000 0.442 1544 H N 0.495 119.489 119.070 -0.126 0.000 2.457 1544 H HA -0.052 4.501 4.556 -0.004 0.000 0.297 1544 H C 1.973 177.261 175.328 -0.067 0.000 1.092 1544 H CA 1.531 57.537 56.048 -0.070 0.000 1.309 1544 H CB -0.008 29.724 29.762 -0.051 0.000 1.382 1544 H HN 0.199 nan 8.280 nan 0.000 0.535 1545 L N -1.105 120.089 121.223 -0.047 0.000 2.217 1545 L HA 0.028 4.365 4.340 -0.004 0.000 0.211 1545 L C 1.860 178.660 176.870 -0.117 0.000 1.107 1545 L CA 1.337 56.123 54.840 -0.090 0.000 0.783 1545 L CB -0.146 41.885 42.059 -0.047 0.000 0.919 1545 L HN 0.773 nan 8.230 nan 0.000 0.442 1546 G N -0.455 108.282 108.800 -0.106 0.000 2.273 1546 G HA2 -0.214 3.743 3.960 -0.004 0.000 0.162 1546 G HA3 -0.214 3.743 3.960 -0.004 0.000 0.162 1546 G C 0.342 175.238 174.900 -0.007 0.000 1.006 1546 G CA -0.140 44.926 45.100 -0.057 0.000 0.704 1546 G HN 0.214 nan 8.290 nan 0.000 0.487 1547 R N 2.426 122.901 120.500 -0.042 0.000 2.489 1547 R HA 0.204 4.542 4.340 -0.004 0.000 0.287 1547 R C 1.110 177.517 176.300 0.178 0.000 0.902 1547 R CA 1.333 57.448 56.100 0.025 0.000 1.136 1547 R CB -0.163 30.079 30.300 -0.097 0.000 0.872 1547 R HN 0.540 nan 8.270 nan 0.000 0.421 1548 T N 2.928 117.563 114.554 0.136 0.000 2.814 1548 T HA 0.190 4.537 4.350 -0.004 0.000 0.297 1548 T C -0.063 174.698 174.700 0.100 0.000 0.956 1548 T CA -0.883 61.309 62.100 0.152 0.000 1.123 1548 T CB 0.648 69.640 68.868 0.208 0.000 0.902 1548 T HN 0.505 nan 8.240 nan 0.000 0.528 1549 K N 2.266 122.729 120.400 0.105 0.000 2.511 1549 K HA 0.195 4.512 4.320 -0.004 0.000 0.277 1549 K C 1.477 178.041 176.600 -0.059 0.000 1.025 1549 K CA 1.272 57.532 56.287 -0.044 0.000 1.112 1549 K CB -0.138 32.357 32.500 -0.007 0.000 0.859 1549 K HN 1.090 nan 8.250 nan 0.000 0.485 1550 G N 2.419 111.124 108.800 -0.158 0.000 2.232 1550 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.226 1550 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.226 1550 G C -0.005 174.805 174.900 -0.151 0.000 0.996 1550 G CA -0.059 45.030 45.100 -0.019 0.000 0.626 1550 G HN 0.617 nan 8.290 nan 0.000 0.509 1551 N N 1.563 119.948 118.700 -0.525 0.000 2.521 1551 N HA 0.649 5.387 4.740 -0.004 0.000 0.236 1551 N C 0.274 175.684 175.510 -0.166 0.000 1.067 1551 N CA 0.756 53.326 53.050 -0.800 0.000 0.939 1551 N CB 0.557 38.203 38.487 -1.402 0.000 1.201 1551 N HN 0.794 nan 8.380 nan 0.000 0.511 1552 A N 2.385 125.290 122.820 0.142 0.000 2.295 1552 A HA 0.574 4.892 4.320 -0.004 0.000 0.318 1552 A C -0.221 177.463 177.584 0.167 0.000 1.134 1552 A CA -0.722 51.415 52.037 0.167 0.000 0.827 1552 A CB 0.654 19.726 19.000 0.120 0.000 1.136 1552 A HN 0.501 nan 8.150 nan 0.000 0.493 1553 V N 0.588 120.573 119.914 0.119 0.000 2.432 1553 V HA 0.414 4.532 4.120 -0.004 0.000 0.275 1553 V C 0.196 176.332 176.094 0.070 0.000 1.043 1553 V CA -0.766 61.598 62.300 0.106 0.000 0.925 1553 V CB 0.561 32.447 31.823 0.105 0.000 0.985 1553 V HN 0.690 nan 8.190 nan 0.000 0.466 1554 L N 4.745 126.020 121.223 0.087 0.000 2.477 1554 L HA 0.339 4.677 4.340 -0.004 0.000 0.272 1554 L C 1.056 177.941 176.870 0.025 0.000 1.157 1554 L CA 0.598 55.467 54.840 0.049 0.000 0.889 1554 L CB 0.484 42.585 42.059 0.070 0.000 1.158 1554 L HN 0.990 nan 8.230 nan 0.000 0.473 1555 G N 5.892 114.663 108.800 -0.050 0.000 2.319 1555 G HA2 0.544 4.501 3.960 -0.004 0.000 0.308 1555 G HA3 0.544 4.501 3.960 -0.004 0.000 0.308 1555 G C -0.337 174.342 174.900 -0.368 0.000 1.117 1555 G CA -0.498 44.507 45.100 -0.159 0.000 0.903 1555 G HN 0.488 nan 8.290 nan 0.000 0.436 1556 I N 1.319 121.667 120.570 -0.370 0.000 2.437 1556 I HA 0.431 4.599 4.170 -0.004 0.000 0.298 1556 I C -0.816 174.960 176.117 -0.568 0.000 0.984 1556 I CA -0.690 60.436 61.300 -0.289 0.000 1.214 1556 I CB 1.884 39.858 38.000 -0.044 0.000 1.365 1556 I HN 0.344 nan 8.210 nan 0.000 0.469 1557 F N 4.113 124.209 119.950 0.243 0.000 2.769 1557 F HA 0.268 4.792 4.527 -0.004 0.000 0.358 1557 F C 1.106 177.066 175.800 0.265 0.000 1.285 1557 F CA -0.467 57.679 58.000 0.244 0.000 1.199 1557 F CB 0.708 39.825 39.000 0.195 0.000 1.558 1557 F HN 0.469 nan 8.300 nan 0.000 0.583 1558 Q N 1.079 121.035 119.800 0.261 0.000 2.297 1558 Q HA -0.157 4.180 4.340 -0.004 0.000 0.208 1558 Q C 1.770 177.780 176.000 0.017 0.000 0.981 1558 Q CA 1.185 57.045 55.803 0.095 0.000 0.876 1558 Q CB 0.301 29.096 28.738 0.096 0.000 0.921 1558 Q HN 0.328 nan 8.270 nan 0.000 0.446 1559 K N 0.084 120.568 120.400 0.140 0.000 2.152 1559 K HA -0.203 4.114 4.320 -0.004 0.000 0.206 1559 K C 1.828 178.500 176.600 0.119 0.000 1.048 1559 K CA 1.373 57.730 56.287 0.118 0.000 0.933 1559 K CB -0.797 31.758 32.500 0.092 0.000 0.721 1559 K HN 0.532 nan 8.250 nan 0.000 0.447 1560 Y N -0.351 120.031 120.300 0.136 0.000 2.241 1560 Y HA -0.139 4.408 4.550 -0.004 0.000 0.286 1560 Y C 1.883 177.855 175.900 0.120 0.000 1.166 1560 Y CA 1.121 59.282 58.100 0.101 0.000 1.203 1560 Y CB -0.546 37.961 38.460 0.078 0.000 0.977 1560 Y HN -0.019 nan 8.280 nan 0.000 0.529 1561 L N -0.014 120.823 121.223 -0.644 0.000 2.316 1561 L HA -0.004 4.334 4.340 -0.004 0.000 0.207 1561 L C 2.076 179.008 176.870 0.103 0.000 1.070 1561 L CA 1.499 56.069 54.840 -0.450 0.000 0.820 1561 L CB -0.206 41.315 42.059 -0.897 0.000 0.992 1561 L HN 0.533 nan 8.230 nan 0.000 0.466 1562 T N -3.531 111.078 114.554 0.091 0.000 3.014 1562 T HA 0.345 4.693 4.350 -0.004 0.000 0.250 1562 T C 1.028 175.912 174.700 0.307 0.000 1.060 1562 T CA 0.361 62.627 62.100 0.276 0.000 1.040 1562 T CB 0.399 69.478 68.868 0.353 0.000 0.971 1562 T HN 0.448 nan 8.240 nan 0.000 0.497 1563 G N 1.466 110.398 108.800 0.220 0.000 2.855 1563 G HA2 -0.172 3.785 3.960 -0.004 0.000 0.352 1563 G HA3 -0.172 3.785 3.960 -0.004 0.000 0.352 1563 G C -0.763 174.293 174.900 0.259 0.000 1.415 1563 G CA -0.300 44.931 45.100 0.218 0.000 0.871 1563 G HN 0.832 nan 8.290 nan 0.000 0.543 1564 H N 1.656 120.803 119.070 0.128 0.000 2.661 1564 H HA 0.545 5.098 4.556 -0.004 0.000 0.290 1564 H C -2.086 173.214 175.328 -0.047 0.000 1.082 1564 H CA -2.435 53.613 56.048 -0.000 0.000 1.234 1564 H CB 1.277 31.000 29.762 -0.065 0.000 1.387 1564 H HN 0.234 nan 8.280 nan 0.000 0.476 1565 P HA 0.106 nan 4.420 nan 0.000 0.220 1565 P C 0.397 177.721 177.300 0.039 0.000 1.806 1565 P CA -0.230 62.817 63.100 -0.088 0.000 0.976 1565 P CB -0.073 31.186 31.700 -0.734 0.000 1.952 1566 K N 0.309 120.771 120.400 0.105 0.000 4.389 1566 K HA -0.331 3.986 4.320 -0.004 0.000 0.336 1566 K C 1.907 178.586 176.600 0.132 0.000 0.673 1566 K CA 2.383 58.668 56.287 -0.003 0.000 1.208 1566 K CB -2.166 30.366 32.500 0.052 0.000 0.819 1566 K HN 0.398 nan 8.250 nan 0.000 0.767 1567 G N -0.362 108.449 108.800 0.020 0.000 2.411 1567 G HA2 0.100 4.057 3.960 -0.004 0.000 0.213 1567 G HA3 0.100 4.057 3.960 -0.004 0.000 0.213 1567 G C 1.307 176.138 174.900 -0.116 0.000 1.166 1567 G CA 0.685 45.757 45.100 -0.046 0.000 0.802 1567 G HN 0.567 nan 8.290 nan 0.000 0.533 1568 A N 0.771 123.469 122.820 -0.204 0.000 2.261 1568 A HA 0.637 4.954 4.320 -0.004 0.000 0.208 1568 A C 2.347 179.624 177.584 -0.512 0.000 1.223 1568 A CA 1.219 53.056 52.037 -0.334 0.000 0.833 1568 A CB -0.420 18.339 19.000 -0.401 0.000 0.830 1568 A HN 0.539 nan 8.150 nan 0.000 0.483 1569 A N 0.281 122.909 122.820 -0.321 0.000 1.849 1569 A HA 0.015 4.332 4.320 -0.004 0.000 0.217 1569 A C 2.419 179.936 177.584 -0.111 0.000 1.202 1569 A CA 2.018 53.895 52.037 -0.268 0.000 0.629 1569 A CB -1.488 17.402 19.000 -0.184 0.000 0.834 1569 A HN 0.827 nan 8.150 nan 0.000 0.447 1570 G N -0.699 108.074 108.800 -0.045 0.000 2.505 1570 G HA2 -0.094 3.864 3.960 -0.004 0.000 0.220 1570 G HA3 -0.094 3.864 3.960 -0.004 0.000 0.220 1570 G C 1.768 176.685 174.900 0.030 0.000 1.145 1570 G CA 1.963 47.062 45.100 -0.002 0.000 0.761 1570 G HN 0.948 nan 8.290 nan 0.000 0.571 1571 A N 0.049 122.882 122.820 0.021 0.000 1.877 1571 A HA -0.047 4.271 4.320 -0.004 0.000 0.216 1571 A C 2.199 179.927 177.584 0.240 0.000 1.186 1571 A CA 1.730 53.831 52.037 0.107 0.000 0.620 1571 A CB -0.681 18.392 19.000 0.121 0.000 0.822 1571 A HN 0.449 nan 8.150 nan 0.000 0.443 1572 W N -0.099 121.208 121.300 0.012 0.000 2.335 1572 W HA -0.147 4.510 4.660 -0.004 0.000 0.311 1572 W C 2.524 179.034 176.519 -0.015 0.000 1.213 1572 W CA 1.231 58.579 57.345 0.006 0.000 1.274 1572 W CB -1.188 28.282 29.460 0.016 0.000 1.148 1572 W HN 0.319 nan 8.180 nan 0.000 0.498 1573 M N -0.724 119.007 119.600 0.219 0.000 2.080 1573 M HA -0.208 4.269 4.480 -0.004 0.000 0.260 1573 M C 2.193 178.485 176.300 -0.013 0.000 1.068 1573 M CA 1.492 56.846 55.300 0.090 0.000 1.109 1573 M CB -1.263 31.380 32.600 0.072 0.000 1.342 1573 M HN -0.090 nan 8.290 nan 0.000 0.405 1574 L N 1.218 122.444 121.223 0.004 0.000 2.043 1574 L HA -0.232 4.105 4.340 -0.004 0.000 0.212 1574 L C 1.922 178.729 176.870 -0.105 0.000 1.075 1574 L CA 1.934 56.748 54.840 -0.042 0.000 0.752 1574 L CB -0.786 41.294 42.059 0.035 0.000 0.891 1574 L HN 0.270 nan 8.230 nan 0.000 0.432 1575 N N -0.096 118.576 118.700 -0.047 0.000 2.084 1575 N HA -0.131 4.606 4.740 -0.004 0.000 0.190 1575 N C 1.825 177.236 175.510 -0.165 0.000 1.030 1575 N CA 1.436 54.425 53.050 -0.101 0.000 0.849 1575 N CB -1.076 37.385 38.487 -0.044 0.000 1.012 1575 N HN 0.481 nan 8.380 nan 0.000 0.423 1576 G N 0.501 109.243 108.800 -0.097 0.000 2.491 1576 G HA2 -0.281 3.677 3.960 -0.004 0.000 0.218 1576 G HA3 -0.281 3.677 3.960 -0.004 0.000 0.218 1576 G C 1.792 176.558 174.900 -0.224 0.000 1.180 1576 G CA 1.233 46.298 45.100 -0.059 0.000 0.774 1576 G HN 0.397 nan 8.290 nan 0.000 0.562 1577 C N 0.496 119.544 119.300 -0.419 0.000 2.436 1577 C HA 0.054 4.511 4.460 -0.004 0.000 0.277 1577 C C 2.884 177.499 174.990 -0.625 0.000 1.241 1577 C CA 0.558 59.091 59.018 -0.807 0.000 1.721 1577 C CB -1.209 25.351 27.740 -1.966 0.000 2.043 1577 C HN 0.424 nan 8.230 nan 0.000 0.472 1578 L N 0.391 121.353 121.223 -0.435 0.000 2.189 1578 L HA -0.259 4.078 4.340 -0.004 0.000 0.214 1578 L C 2.626 179.388 176.870 -0.180 0.000 1.097 1578 L CA 1.586 56.345 54.840 -0.134 0.000 0.764 1578 L CB -0.847 41.179 42.059 -0.055 0.000 0.900 1578 L HN 0.547 nan 8.230 nan 0.000 0.436 1579 Q N -0.790 118.786 119.800 -0.374 0.000 2.123 1579 Q HA -0.096 4.241 4.340 -0.004 0.000 0.196 1579 Q C 2.403 178.044 176.000 -0.599 0.000 0.958 1579 Q CA 0.844 56.246 55.803 -0.668 0.000 0.841 1579 Q CB 0.133 28.125 28.738 -1.243 0.000 0.915 1579 Q HN 0.281 nan 8.270 nan 0.000 0.455 1580 V N 1.216 120.915 119.914 -0.358 0.000 2.255 1580 V HA -0.303 3.814 4.120 -0.004 0.000 0.247 1580 V C 2.217 178.313 176.094 0.002 0.000 1.051 1580 V CA 1.623 63.899 62.300 -0.039 0.000 1.018 1580 V CB -0.578 31.266 31.823 0.035 0.000 0.641 1580 V HN 0.423 nan 8.190 nan 0.000 0.445 1581 L N 0.293 121.505 121.223 -0.017 0.000 2.089 1581 L HA -0.272 4.066 4.340 -0.004 0.000 0.213 1581 L C 2.261 179.138 176.870 0.012 0.000 1.079 1581 L CA 2.066 56.935 54.840 0.048 0.000 0.758 1581 L CB -0.558 41.514 42.059 0.021 0.000 0.891 1581 L HN 0.510 nan 8.230 nan 0.000 0.433 1582 N N -1.242 117.434 118.700 -0.041 0.000 2.336 1582 N HA -0.060 4.678 4.740 -0.004 0.000 0.189 1582 N C 1.251 176.801 175.510 0.067 0.000 1.113 1582 N CA 1.108 54.158 53.050 -0.000 0.000 0.858 1582 N CB 0.475 38.940 38.487 -0.038 0.000 0.970 1582 N HN 0.427 nan 8.380 nan 0.000 0.471 1583 T N -5.255 109.351 114.554 0.087 0.000 2.966 1583 T HA 0.249 4.596 4.350 -0.004 0.000 0.254 1583 T C 1.267 176.080 174.700 0.189 0.000 0.961 1583 T CA 0.813 63.011 62.100 0.164 0.000 0.915 1583 T CB 0.392 69.411 68.868 0.253 0.000 1.186 1583 T HN 0.032 nan 8.240 nan 0.000 0.505 1584 G N 2.024 110.931 108.800 0.179 0.000 2.168 1584 G HA2 -0.211 3.746 3.960 -0.004 0.000 0.263 1584 G HA3 -0.211 3.746 3.960 -0.004 0.000 0.263 1584 G C 0.031 174.997 174.900 0.109 0.000 0.977 1584 G CA 0.400 45.597 45.100 0.163 0.000 0.659 1584 G HN 0.724 nan 8.290 nan 0.000 0.533 1585 I N 0.832 121.507 120.570 0.174 0.000 2.331 1585 I HA 0.414 4.582 4.170 -0.004 0.000 0.292 1585 I C 0.258 176.486 176.117 0.186 0.000 0.998 1585 I CA -0.889 60.502 61.300 0.152 0.000 1.267 1585 I CB 1.767 39.923 38.000 0.260 0.000 1.386 1585 I HN -0.150 nan 8.210 nan 0.000 0.476 1586 V N 8.524 128.479 119.914 0.068 0.000 2.311 1586 V HA 0.271 4.388 4.120 -0.004 0.000 0.275 1586 V C -2.170 173.946 176.094 0.036 0.000 1.022 1586 V CA -1.795 60.550 62.300 0.075 0.000 0.830 1586 V CB 1.069 32.914 31.823 0.036 0.000 1.012 1586 V HN 0.573 nan 8.190 nan 0.000 0.452 1587 P HA 0.224 nan 4.420 nan 0.000 0.269 1587 P C 0.307 177.629 177.300 0.037 0.000 1.209 1587 P CA 0.316 63.408 63.100 -0.014 0.000 0.776 1587 P CB 0.706 32.387 31.700 -0.032 0.000 0.876 1588 G N 1.073 109.877 108.800 0.005 0.000 2.434 1588 G HA2 0.211 4.169 3.960 -0.004 0.000 0.330 1588 G HA3 0.211 4.169 3.960 -0.004 0.000 0.330 1588 G C -0.578 174.285 174.900 -0.060 0.000 1.155 1588 G CA -0.768 44.334 45.100 0.003 0.000 0.917 1588 G HN 0.598 nan 8.290 nan 0.000 0.493 1589 N N 0.828 119.478 118.700 -0.082 0.000 2.663 1589 N HA 0.055 4.792 4.740 -0.004 0.000 0.250 1589 N C 1.475 176.627 175.510 -0.597 0.000 1.129 1589 N CA -0.444 52.373 53.050 -0.389 0.000 0.995 1589 N CB 0.209 38.718 38.487 0.038 0.000 1.324 1589 N HN 0.465 nan 8.380 nan 0.000 0.512 1590 R N 1.327 121.267 120.500 -0.933 0.000 2.154 1590 R HA -0.119 4.218 4.340 -0.004 0.000 0.248 1590 R C 0.575 176.663 176.300 -0.352 0.000 1.155 1590 R CA 1.309 57.107 56.100 -0.503 0.000 0.979 1590 R CB -0.032 30.061 30.300 -0.344 0.000 0.869 1590 R HN 0.547 nan 8.270 nan 0.000 0.452 1591 N N 0.215 118.672 118.700 -0.403 0.000 2.362 1591 N HA 0.057 4.795 4.740 -0.004 0.000 0.204 1591 N C -0.573 174.870 175.510 -0.111 0.000 1.166 1591 N CA 0.229 53.185 53.050 -0.158 0.000 0.831 1591 N CB 0.868 39.335 38.487 -0.034 0.000 1.008 1591 N HN 0.127 nan 8.380 nan 0.000 0.472 1592 A N 0.598 123.348 122.820 -0.117 0.000 3.048 1592 A HA 0.045 4.362 4.320 -0.004 0.000 0.264 1592 A C 1.126 178.762 177.584 0.088 0.000 1.796 1592 A CA -0.378 51.657 52.037 -0.003 0.000 1.445 1592 A CB -0.275 18.796 19.000 0.119 0.000 1.074 1592 A HN 0.041 nan 8.150 nan 0.000 0.621 1593 D N 0.982 121.420 120.400 0.064 0.000 2.549 1593 D HA -0.217 4.421 4.640 -0.004 0.000 0.199 1593 D C 0.493 176.973 176.300 0.301 0.000 1.034 1593 D CA 2.068 56.173 54.000 0.175 0.000 0.880 1593 D CB 0.106 40.979 40.800 0.122 0.000 1.044 1593 D HN 0.679 nan 8.370 nan 0.000 0.469 1594 N N -1.181 117.652 118.700 0.223 0.000 2.752 1594 N HA 0.120 4.858 4.740 -0.004 0.000 0.268 1594 N C -1.649 173.875 175.510 0.022 0.000 1.190 1594 N CA -0.241 52.951 53.050 0.236 0.000 0.897 1594 N CB 1.284 39.889 38.487 0.196 0.000 1.515 1594 N HN -0.238 nan 8.380 nan 0.000 0.567 1595 V N 1.764 121.599 119.914 -0.133 0.000 2.694 1595 V HA 0.014 4.132 4.120 -0.004 0.000 0.306 1595 V C 0.804 176.856 176.094 -0.071 0.000 1.054 1595 V CA 0.035 62.189 62.300 -0.244 0.000 1.161 1595 V CB 0.378 31.915 31.823 -0.476 0.000 0.916 1595 V HN 0.646 nan 8.190 nan 0.000 0.490 1596 D N 4.358 124.719 120.400 -0.065 0.000 2.493 1596 D HA -0.016 4.622 4.640 -0.004 0.000 0.240 1596 D C 1.240 177.626 176.300 0.143 0.000 1.142 1596 D CA -0.002 54.009 54.000 0.018 0.000 0.872 1596 D CB 0.807 41.591 40.800 -0.027 0.000 1.173 1596 D HN 0.419 nan 8.370 nan 0.000 0.467 1597 K N 2.800 123.291 120.400 0.152 0.000 2.228 1597 K HA -0.110 4.208 4.320 -0.004 0.000 0.205 1597 K C 1.822 178.414 176.600 -0.013 0.000 1.045 1597 K CA 0.645 57.012 56.287 0.133 0.000 0.931 1597 K CB -0.245 32.297 32.500 0.071 0.000 0.727 1597 K HN 0.375 nan 8.250 nan 0.000 0.458 1598 V N 1.401 121.321 119.914 0.011 0.000 2.392 1598 V HA -0.234 3.883 4.120 -0.004 0.000 0.249 1598 V C 2.163 178.257 176.094 -0.001 0.000 1.059 1598 V CA 1.420 63.711 62.300 -0.015 0.000 1.051 1598 V CB -0.508 31.350 31.823 0.058 0.000 0.658 1598 V HN 0.293 nan 8.190 nan 0.000 0.455 1599 M N -0.339 119.357 119.600 0.161 0.000 2.686 1599 M HA -0.041 4.436 4.480 -0.004 0.000 0.246 1599 M C 1.901 178.303 176.300 0.171 0.000 1.096 1599 M CA 0.927 56.479 55.300 0.420 0.000 1.076 1599 M CB -1.133 31.604 32.600 0.229 0.000 1.504 1599 M HN 0.529 nan 8.290 nan 0.000 0.524 1600 E N 1.528 121.490 120.200 -0.398 0.000 2.072 1600 E HA -0.202 4.145 4.350 -0.004 0.000 0.190 1600 E C 1.994 178.253 176.600 -0.568 0.000 0.982 1600 E CA 0.928 56.728 56.400 -0.999 0.000 0.803 1600 E CB 0.057 28.977 29.700 -1.300 0.000 0.755 1600 E HN 0.681 nan 8.360 nan 0.000 0.453 1601 Q N -0.094 119.366 119.800 -0.567 0.000 2.508 1601 Q HA -0.126 4.212 4.340 -0.004 0.000 0.214 1601 Q C -0.319 175.365 176.000 -0.527 0.000 0.979 1601 Q CA 0.574 56.038 55.803 -0.565 0.000 0.911 1601 Q CB -0.204 28.149 28.738 -0.642 0.000 0.969 1601 Q HN 0.163 nan 8.270 nan 0.000 0.504 1602 F N 2.910 122.848 119.950 -0.020 0.000 2.425 1602 F HA 0.229 4.753 4.527 -0.004 0.000 0.354 1602 F C 0.465 176.278 175.800 0.022 0.000 1.162 1602 F CA -1.179 56.865 58.000 0.072 0.000 1.250 1602 F CB 0.579 39.672 39.000 0.155 0.000 1.579 1602 F HN -0.030 nan 8.300 nan 0.000 0.589 1603 D N 0.890 121.335 120.400 0.074 0.000 2.123 1603 D HA -0.269 4.368 4.640 -0.004 0.000 0.196 1603 D C 1.564 177.785 176.300 -0.131 0.000 0.992 1603 D CA 1.851 55.776 54.000 -0.125 0.000 0.833 1603 D CB -0.333 40.271 40.800 -0.327 0.000 0.954 1603 D HN 0.483 nan 8.370 nan 0.000 0.455 1604 Y N 0.630 120.964 120.300 0.058 0.000 2.583 1604 Y HA 0.146 4.694 4.550 -0.004 0.000 0.293 1604 Y C 1.133 177.036 175.900 0.005 0.000 1.157 1604 Y CA 0.116 58.235 58.100 0.032 0.000 1.315 1604 Y CB -0.004 38.482 38.460 0.043 0.000 1.021 1604 Y HN -0.112 nan 8.280 nan 0.000 0.536 1605 I N 0.122 120.742 120.570 0.082 0.000 2.406 1605 I HA 0.362 4.530 4.170 -0.004 0.000 0.290 1605 I C -0.972 174.917 176.117 -0.380 0.000 0.999 1605 I CA -0.942 60.278 61.300 -0.133 0.000 1.124 1605 I CB 2.055 39.941 38.000 -0.190 0.000 1.289 1605 I HN -0.380 nan 8.210 nan 0.000 0.441 1606 V N 7.420 127.095 119.914 -0.399 0.000 2.487 1606 V HA 0.412 4.529 4.120 -0.004 0.000 0.298 1606 V C -1.157 174.720 176.094 -0.362 0.000 1.028 1606 V CA -0.420 61.646 62.300 -0.390 0.000 0.860 1606 V CB 1.695 33.322 31.823 -0.326 0.000 0.991 1606 V HN 0.473 nan 8.190 nan 0.000 0.427 1607 Y N 7.254 127.553 120.300 -0.001 0.000 2.518 1607 Y HA 0.490 5.037 4.550 -0.004 0.000 0.344 1607 Y C -2.182 173.755 175.900 0.062 0.000 0.982 1607 Y CA -3.092 55.050 58.100 0.070 0.000 1.234 1607 Y CB 0.605 39.093 38.460 0.047 0.000 1.114 1607 Y HN 0.487 nan 8.280 nan 0.000 0.515 1608 P HA 0.105 nan 4.420 nan 0.000 0.286 1608 P C 0.465 177.896 177.300 0.219 0.000 1.269 1608 P CA -0.337 62.882 63.100 0.199 0.000 0.787 1608 P CB 1.526 33.293 31.700 0.112 0.000 0.920 1609 S N 2.914 118.767 115.700 0.255 0.000 2.548 1609 S HA 0.120 4.588 4.470 -0.004 0.000 0.215 1609 S C 0.553 175.103 174.600 -0.082 0.000 0.976 1609 S CA -0.254 57.990 58.200 0.073 0.000 0.908 1609 S CB -0.293 62.860 63.200 -0.078 0.000 0.781 1609 S HN 0.511 nan 8.310 nan 0.000 0.519 1610 R N -0.316 120.157 120.500 -0.046 0.000 2.799 1610 R HA 0.710 5.047 4.340 -0.004 0.000 0.270 1610 R C -1.104 175.159 176.300 -0.062 0.000 1.010 1610 R CA -0.747 55.299 56.100 -0.090 0.000 0.916 1610 R CB 0.739 30.966 30.300 -0.122 0.000 1.228 1610 R HN -0.050 nan 8.270 nan 0.000 0.469 1611 S N 0.667 116.311 115.700 -0.093 0.000 2.576 1611 S HA 0.326 4.794 4.470 -0.004 0.000 0.276 1611 S C 0.019 174.559 174.600 -0.099 0.000 1.339 1611 S CA -0.239 57.905 58.200 -0.093 0.000 1.039 1611 S CB 0.178 63.298 63.200 -0.134 0.000 0.902 1611 S HN 0.351 nan 8.310 nan 0.000 0.516 1612 I N 2.417 122.929 120.570 -0.098 0.000 2.447 1612 I HA 0.289 4.457 4.170 -0.004 0.000 0.287 1612 I C -0.459 175.532 176.117 -0.211 0.000 1.023 1612 I CA -0.827 60.388 61.300 -0.142 0.000 1.083 1612 I CB 1.866 39.794 38.000 -0.121 0.000 1.245 1612 I HN 0.366 nan 8.210 nan 0.000 0.434 1613 K N 5.537 125.774 120.400 -0.273 0.000 2.276 1613 K HA 0.430 4.748 4.320 -0.004 0.000 0.285 1613 K C -0.185 176.149 176.600 -0.444 0.000 1.062 1613 K CA -0.122 55.965 56.287 -0.333 0.000 0.918 1613 K CB 0.793 33.020 32.500 -0.453 0.000 1.055 1613 K HN 0.687 nan 8.250 nan 0.000 0.477 1614 T N -0.025 114.353 114.554 -0.293 0.000 2.927 1614 T HA 0.275 4.622 4.350 -0.004 0.000 0.286 1614 T C 0.532 175.509 174.700 0.461 0.000 1.040 1614 T CA -0.467 61.474 62.100 -0.266 0.000 1.010 1614 T CB 1.026 69.648 68.868 -0.411 0.000 1.177 1614 T HN 0.565 nan 8.240 nan 0.000 0.546 1615 D N -0.620 120.217 120.400 0.728 0.000 2.312 1615 D HA 0.304 4.942 4.640 -0.004 0.000 0.211 1615 D C 1.050 177.586 176.300 0.393 0.000 0.964 1615 D CA 0.743 55.093 54.000 0.584 0.000 0.877 1615 D CB -0.516 40.606 40.800 0.537 0.000 0.924 1615 D HN 1.162 nan 8.370 nan 0.000 0.515 1616 G N -0.144 108.858 108.800 0.337 0.000 2.350 1616 G HA2 0.361 4.319 3.960 -0.004 0.000 0.305 1616 G HA3 0.361 4.319 3.960 -0.004 0.000 0.305 1616 G C -1.556 173.487 174.900 0.240 0.000 1.479 1616 G CA -0.525 44.732 45.100 0.262 0.000 0.949 1616 G HN 0.289 nan 8.290 nan 0.000 0.651 1617 I N -1.824 118.887 120.570 0.235 0.000 2.569 1617 I HA 0.677 4.844 4.170 -0.004 0.000 0.296 1617 I C 0.294 176.541 176.117 0.215 0.000 1.028 1617 I CA -1.280 60.145 61.300 0.209 0.000 1.082 1617 I CB 1.657 39.771 38.000 0.190 0.000 1.264 1617 I HN 0.718 nan 8.210 nan 0.000 0.429 1618 K N 3.323 123.803 120.400 0.134 0.000 2.240 1618 K HA 0.581 4.898 4.320 -0.004 0.000 0.202 1618 K C 0.503 177.050 176.600 -0.088 0.000 1.053 1618 K CA 0.778 57.080 56.287 0.024 0.000 0.973 1618 K CB 0.496 32.982 32.500 -0.023 0.000 0.924 1618 K HN 0.828 nan 8.250 nan 0.000 0.477 1619 A N 0.936 123.718 122.820 -0.063 0.000 2.539 1619 A HA 0.642 4.960 4.320 -0.004 0.000 0.296 1619 A C -1.378 176.186 177.584 -0.033 0.000 1.073 1619 A CA -0.807 51.129 52.037 -0.168 0.000 0.700 1619 A CB 0.871 19.718 19.000 -0.256 0.000 1.296 1619 A HN 0.188 nan 8.150 nan 0.000 0.405 1620 F N -0.214 119.683 119.950 -0.089 0.000 2.620 1620 F HA 0.877 5.402 4.527 -0.004 0.000 0.320 1620 F C -0.148 175.591 175.800 -0.103 0.000 1.069 1620 F CA -1.113 56.843 58.000 -0.074 0.000 0.953 1620 F CB 1.854 40.821 39.000 -0.055 0.000 1.322 1620 F HN 0.561 nan 8.300 nan 0.000 0.479 1621 S N 2.442 118.278 115.700 0.226 0.000 2.733 1621 S HA 0.614 5.082 4.470 -0.004 0.000 0.307 1621 S C -1.057 173.597 174.600 0.089 0.000 1.127 1621 S CA -0.474 57.768 58.200 0.070 0.000 1.097 1621 S CB 0.393 63.548 63.200 -0.076 0.000 1.003 1621 S HN 1.380 nan 8.310 nan 0.000 0.477 1622 V N 3.460 123.462 119.914 0.148 0.000 2.607 1622 V HA 0.928 5.046 4.120 -0.004 0.000 0.289 1622 V C -0.323 175.716 176.094 -0.092 0.000 1.053 1622 V CA -0.191 62.120 62.300 0.019 0.000 0.996 1622 V CB 0.993 32.852 31.823 0.060 0.000 0.995 1622 V HN 0.893 nan 8.190 nan 0.000 0.476 1623 T N 2.339 116.814 114.554 -0.132 0.000 2.991 1623 T HA 0.714 5.062 4.350 -0.004 0.000 0.303 1623 T C -0.366 174.235 174.700 -0.166 0.000 1.015 1623 T CA -0.171 61.801 62.100 -0.213 0.000 1.007 1623 T CB 1.153 69.881 68.868 -0.233 0.000 1.034 1623 T HN 1.393 nan 8.240 nan 0.000 0.446 1624 S N 1.699 117.173 115.700 -0.376 0.000 2.599 1624 S HA 0.914 5.382 4.470 -0.004 0.000 0.294 1624 S C -1.382 172.736 174.600 -0.802 0.000 1.094 1624 S CA -0.909 56.969 58.200 -0.537 0.000 0.931 1624 S CB 1.198 64.178 63.200 -0.367 0.000 1.093 1624 S HN 0.511 nan 8.310 nan 0.000 0.488 1625 F N -0.106 119.338 119.950 -0.843 0.000 2.588 1625 F HA 0.867 5.391 4.527 -0.004 0.000 0.314 1625 F C 0.769 176.406 175.800 -0.272 0.000 1.069 1625 F CA -0.357 57.406 58.000 -0.395 0.000 0.931 1625 F CB 2.381 41.244 39.000 -0.228 0.000 1.260 1625 F HN 1.062 nan 8.300 nan 0.000 0.465 1626 G N 0.249 109.087 108.800 0.063 0.000 2.798 1626 G HA2 0.610 4.568 3.960 -0.004 0.000 0.286 1626 G HA3 0.610 4.568 3.960 -0.004 0.000 0.286 1626 G C -1.726 173.258 174.900 0.141 0.000 1.389 1626 G CA -0.770 44.419 45.100 0.148 0.000 0.894 1626 G HN 0.274 nan 8.290 nan 0.000 0.488 1627 F N 0.533 120.531 119.950 0.080 0.000 2.506 1627 F HA 0.407 4.932 4.527 -0.004 0.000 0.351 1627 F C 1.479 177.311 175.800 0.053 0.000 1.136 1627 F CA 1.433 59.480 58.000 0.078 0.000 1.298 1627 F CB 1.014 40.069 39.000 0.091 0.000 1.145 1627 F HN 0.967 nan 8.300 nan 0.000 0.593 1628 G N 2.640 111.542 108.800 0.170 0.000 2.324 1628 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.292 1628 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.292 1628 G C 0.079 175.020 174.900 0.067 0.000 1.079 1628 G CA 0.111 45.278 45.100 0.111 0.000 1.026 1628 G HN 0.832 nan 8.290 nan 0.000 0.506 1629 Q N -2.275 117.552 119.800 0.045 0.000 2.451 1629 Q HA -0.235 4.103 4.340 -0.004 0.000 0.305 1629 Q C 0.502 176.519 176.000 0.028 0.000 1.345 1629 Q CA 1.579 57.404 55.803 0.037 0.000 0.854 1629 Q CB -0.721 28.034 28.738 0.028 0.000 1.162 1629 Q HN 0.614 nan 8.270 nan 0.000 0.440 1630 K N 0.868 121.286 120.400 0.030 0.000 2.459 1630 K HA 0.368 4.685 4.320 -0.004 0.000 0.218 1630 K C -0.058 176.491 176.600 -0.084 0.000 1.067 1630 K CA 0.097 56.378 56.287 -0.009 0.000 1.045 1630 K CB 0.645 33.158 32.500 0.021 0.000 1.623 1630 K HN 0.325 nan 8.250 nan 0.000 0.509 1631 G N 1.031 109.748 108.800 -0.137 0.000 2.322 1631 G HA2 0.653 4.610 3.960 -0.004 0.000 0.309 1631 G HA3 0.653 4.610 3.960 -0.004 0.000 0.309 1631 G C -0.971 173.702 174.900 -0.379 0.000 1.121 1631 G CA -0.465 44.410 45.100 -0.374 0.000 0.886 1631 G HN 0.534 nan 8.290 nan 0.000 0.447 1632 A N 2.168 124.694 122.820 -0.491 0.000 2.469 1632 A HA 0.902 5.220 4.320 -0.004 0.000 0.299 1632 A C -0.604 176.755 177.584 -0.376 0.000 1.098 1632 A CA -0.757 51.076 52.037 -0.341 0.000 0.737 1632 A CB 2.203 21.062 19.000 -0.235 0.000 1.312 1632 A HN 0.790 nan 8.150 nan 0.000 0.414 1633 Q N 0.207 119.847 119.800 -0.266 0.000 2.353 1633 Q HA 0.659 4.997 4.340 -0.004 0.000 0.275 1633 Q C -1.647 174.240 176.000 -0.188 0.000 1.029 1633 Q CA -0.617 55.046 55.803 -0.234 0.000 0.848 1633 Q CB 2.189 30.785 28.738 -0.236 0.000 1.390 1633 Q HN 1.567 nan 8.270 nan 0.000 0.401 1634 A N 4.044 126.770 122.820 -0.157 0.000 2.449 1634 A HA 0.744 5.062 4.320 -0.004 0.000 0.302 1634 A C -1.317 176.160 177.584 -0.179 0.000 1.048 1634 A CA -0.646 51.292 52.037 -0.165 0.000 0.708 1634 A CB 1.300 20.231 19.000 -0.115 0.000 1.274 1634 A HN 0.600 nan 8.150 nan 0.000 0.410 1635 I N 1.962 122.365 120.570 -0.280 0.000 2.406 1635 I HA 0.545 4.713 4.170 -0.004 0.000 0.290 1635 I C 0.600 176.349 176.117 -0.614 0.000 0.999 1635 I CA -0.255 60.800 61.300 -0.408 0.000 1.124 1635 I CB 1.016 38.816 38.000 -0.334 0.000 1.289 1635 I HN 0.745 nan 8.210 nan 0.000 0.441 1636 G N 5.260 113.327 108.800 -1.223 0.000 2.452 1636 G HA2 0.636 4.593 3.960 -0.004 0.000 0.324 1636 G HA3 0.636 4.593 3.960 -0.004 0.000 0.324 1636 G C -1.054 173.238 174.900 -1.013 0.000 1.214 1636 G CA -0.359 43.974 45.100 -1.278 0.000 0.947 1636 G HN 0.325 nan 8.290 nan 0.000 0.478 1637 V N 2.098 121.633 119.914 -0.631 0.000 2.769 1637 V HA 0.338 4.456 4.120 -0.004 0.000 0.312 1637 V C -0.123 175.738 176.094 -0.388 0.000 1.061 1637 V CA -1.100 60.873 62.300 -0.544 0.000 0.931 1637 V CB 1.805 33.204 31.823 -0.707 0.000 1.010 1637 V HN 0.833 nan 8.190 nan 0.000 0.433 1638 H N 5.471 124.315 119.070 -0.377 0.000 2.964 1638 H HA 0.108 4.662 4.556 -0.004 0.000 0.328 1638 H C -1.815 173.445 175.328 -0.113 0.000 1.030 1638 H CA -1.299 54.666 56.048 -0.137 0.000 1.445 1638 H CB 1.814 31.580 29.762 0.005 0.000 1.449 1638 H HN 0.332 nan 8.280 nan 0.000 0.581 1639 P HA -0.291 nan 4.420 nan 0.000 0.219 1639 P C 1.429 178.790 177.300 0.103 0.000 1.161 1639 P CA 3.017 66.101 63.100 -0.027 0.000 0.909 1639 P CB 0.093 31.832 31.700 0.065 0.000 0.793 1640 K N -1.334 119.439 120.400 0.622 0.000 2.077 1640 K HA -0.269 4.049 4.320 -0.004 0.000 0.213 1640 K C 1.905 178.663 176.600 0.263 0.000 1.051 1640 K CA 2.074 58.645 56.287 0.474 0.000 0.929 1640 K CB -1.713 30.893 32.500 0.177 0.000 0.715 1640 K HN 0.112 nan 8.250 nan 0.000 0.451 1641 Y N 1.005 121.335 120.300 0.049 0.000 2.256 1641 Y HA -0.157 4.390 4.550 -0.004 0.000 0.288 1641 Y C 2.337 178.363 175.900 0.211 0.000 1.155 1641 Y CA 1.143 59.302 58.100 0.099 0.000 1.203 1641 Y CB -0.615 37.876 38.460 0.052 0.000 0.980 1641 Y HN 0.148 nan 8.280 nan 0.000 0.530 1642 L N -1.198 120.052 121.223 0.045 0.000 2.027 1642 L HA -0.147 4.190 4.340 -0.004 0.000 0.206 1642 L C 1.906 178.866 176.870 0.150 0.000 1.074 1642 L CA 1.609 56.534 54.840 0.141 0.000 0.745 1642 L CB -0.798 41.094 42.059 -0.278 0.000 0.898 1642 L HN 0.028 nan 8.230 nan 0.000 0.433 1643 F N 0.647 120.747 119.950 0.250 0.000 2.250 1643 F HA -0.116 4.408 4.527 -0.004 0.000 0.301 1643 F C 2.491 178.437 175.800 0.244 0.000 1.077 1643 F CA 0.812 58.971 58.000 0.267 0.000 1.348 1643 F CB -1.547 37.626 39.000 0.287 0.000 1.040 1643 F HN 0.224 nan 8.300 nan 0.000 0.509 1644 A N -0.965 122.043 122.820 0.313 0.000 2.239 1644 A HA -0.036 4.281 4.320 -0.004 0.000 0.209 1644 A C 2.067 179.778 177.584 0.212 0.000 1.171 1644 A CA 1.412 53.557 52.037 0.179 0.000 0.768 1644 A CB -1.075 17.934 19.000 0.015 0.000 0.790 1644 A HN 0.318 nan 8.150 nan 0.000 0.478 1645 T N 0.228 114.938 114.554 0.260 0.000 3.014 1645 T HA 0.205 4.553 4.350 -0.004 0.000 0.263 1645 T C 0.763 175.583 174.700 0.201 0.000 1.078 1645 T CA 0.400 62.617 62.100 0.195 0.000 1.135 1645 T CB -0.251 68.725 68.868 0.181 0.000 0.895 1645 T HN 0.394 nan 8.240 nan 0.000 0.480 1646 L N 1.020 122.408 121.223 0.274 0.000 2.448 1646 L HA 0.481 4.819 4.340 -0.004 0.000 0.258 1646 L C -0.215 176.801 176.870 0.244 0.000 1.104 1646 L CA -1.229 53.755 54.840 0.241 0.000 0.800 1646 L CB 0.357 42.581 42.059 0.274 0.000 1.241 1646 L HN -0.026 nan 8.230 nan 0.000 0.472 1647 D N -0.236 120.230 120.400 0.110 0.000 2.225 1647 D HA 0.072 4.710 4.640 -0.004 0.000 0.249 1647 D C 0.661 176.766 176.300 -0.325 0.000 1.052 1647 D CA -0.454 53.550 54.000 0.006 0.000 0.909 1647 D CB 1.700 42.497 40.800 -0.004 0.000 1.186 1647 D HN 0.473 nan 8.370 nan 0.000 0.431 1648 K N 1.454 121.333 120.400 -0.869 0.000 2.242 1648 K HA -0.277 4.041 4.320 -0.004 0.000 0.206 1648 K C 1.487 177.764 176.600 -0.540 0.000 1.045 1648 K CA 1.544 56.981 56.287 -1.417 0.000 0.930 1648 K CB -0.008 31.533 32.500 -1.599 0.000 0.726 1648 K HN 0.433 nan 8.250 nan 0.000 0.462 1649 A N 1.289 123.935 122.820 -0.290 0.000 1.841 1649 A HA -0.257 4.061 4.320 -0.004 0.000 0.216 1649 A C 2.094 179.623 177.584 -0.091 0.000 1.199 1649 A CA 1.854 53.806 52.037 -0.142 0.000 0.621 1649 A CB -0.694 18.262 19.000 -0.074 0.000 0.835 1649 A HN 0.564 nan 8.150 nan 0.000 0.445 1650 Q N -1.890 117.880 119.800 -0.050 0.000 1.967 1650 Q HA -0.225 4.113 4.340 -0.004 0.000 0.202 1650 Q C 2.136 178.163 176.000 0.046 0.000 0.985 1650 Q CA 1.836 57.651 55.803 0.020 0.000 0.839 1650 Q CB -0.589 28.187 28.738 0.063 0.000 0.906 1650 Q HN 0.776 nan 8.270 nan 0.000 0.423 1651 Y N 1.720 121.973 120.300 -0.080 0.000 2.139 1651 Y HA -0.324 4.224 4.550 -0.004 0.000 0.282 1651 Y C 2.112 177.999 175.900 -0.022 0.000 1.179 1651 Y CA 2.124 60.200 58.100 -0.040 0.000 1.161 1651 Y CB -0.041 38.365 38.460 -0.089 0.000 0.970 1651 Y HN 0.156 nan 8.280 nan 0.000 0.511 1652 E N -0.571 119.599 120.200 -0.050 0.000 2.208 1652 E HA -0.083 4.265 4.350 -0.004 0.000 0.193 1652 E C 2.216 178.749 176.600 -0.113 0.000 0.988 1652 E CA 0.619 56.958 56.400 -0.101 0.000 0.828 1652 E CB -0.194 29.457 29.700 -0.081 0.000 0.763 1652 E HN 0.600 nan 8.360 nan 0.000 0.478 1653 A N 0.326 123.107 122.820 -0.065 0.000 1.898 1653 A HA -0.196 4.122 4.320 -0.004 0.000 0.216 1653 A C 1.977 179.539 177.584 -0.036 0.000 1.181 1653 A CA 1.295 53.310 52.037 -0.037 0.000 0.620 1653 A CB -0.760 18.239 19.000 -0.001 0.000 0.819 1653 A HN 0.541 nan 8.150 nan 0.000 0.442 1654 Y N 0.194 120.397 120.300 -0.162 0.000 2.145 1654 Y HA -0.272 4.276 4.550 -0.004 0.000 0.286 1654 Y C 2.420 178.186 175.900 -0.224 0.000 1.145 1654 Y CA 1.633 59.631 58.100 -0.169 0.000 1.148 1654 Y CB -0.885 37.472 38.460 -0.172 0.000 0.981 1654 Y HN 0.327 nan 8.280 nan 0.000 0.507 1655 C N -0.210 118.812 119.300 -0.463 0.000 2.410 1655 C HA -0.171 4.287 4.460 -0.004 0.000 0.281 1655 C C 2.715 177.502 174.990 -0.338 0.000 1.318 1655 C CA 1.190 59.898 59.018 -0.518 0.000 1.776 1655 C CB -1.311 26.187 27.740 -0.403 0.000 1.942 1655 C HN 0.575 nan 8.230 nan 0.000 0.508 1656 V N 0.511 120.284 119.914 -0.235 0.000 2.488 1656 V HA -0.157 3.961 4.120 -0.004 0.000 0.246 1656 V C 2.368 178.370 176.094 -0.153 0.000 1.046 1656 V CA 1.582 63.790 62.300 -0.152 0.000 1.053 1656 V CB -0.579 31.185 31.823 -0.098 0.000 0.679 1656 V HN 0.544 nan 8.190 nan 0.000 0.458 1657 K N 0.193 120.482 120.400 -0.186 0.000 1.991 1657 K HA -0.157 4.160 4.320 -0.004 0.000 0.212 1657 K C 2.158 178.656 176.600 -0.171 0.000 1.049 1657 K CA 1.690 57.886 56.287 -0.152 0.000 0.932 1657 K CB -0.602 31.812 32.500 -0.144 0.000 0.717 1657 K HN 0.274 nan 8.250 nan 0.000 0.441 1658 V N 1.848 121.560 119.914 -0.336 0.000 2.231 1658 V HA -0.343 3.775 4.120 -0.004 0.000 0.250 1658 V C 2.256 178.349 176.094 -0.001 0.000 1.058 1658 V CA 1.952 64.123 62.300 -0.215 0.000 1.022 1658 V CB -0.541 31.022 31.823 -0.433 0.000 0.640 1658 V HN 0.406 nan 8.190 nan 0.000 0.445 1659 Q N -0.791 118.960 119.800 -0.081 0.000 2.291 1659 Q HA -0.148 4.189 4.340 -0.004 0.000 0.206 1659 Q C 2.267 178.227 176.000 -0.066 0.000 0.976 1659 Q CA 1.436 57.201 55.803 -0.063 0.000 0.875 1659 Q CB -0.331 28.356 28.738 -0.084 0.000 0.927 1659 Q HN 0.732 nan 8.270 nan 0.000 0.450 1660 A N 1.083 123.872 122.820 -0.052 0.000 1.872 1660 A HA -0.140 4.177 4.320 -0.004 0.000 0.214 1660 A C 1.972 179.549 177.584 -0.013 0.000 1.187 1660 A CA 0.853 52.866 52.037 -0.040 0.000 0.614 1660 A CB -0.301 18.678 19.000 -0.035 0.000 0.826 1660 A HN 0.159 nan 8.150 nan 0.000 0.442 1661 R N -0.818 119.706 120.500 0.040 0.000 2.112 1661 R HA -0.210 4.128 4.340 -0.004 0.000 0.242 1661 R C 2.525 178.876 176.300 0.085 0.000 1.137 1661 R CA 1.762 57.932 56.100 0.117 0.000 0.944 1661 R CB -0.428 30.013 30.300 0.236 0.000 0.857 1661 R HN 0.647 nan 8.270 nan 0.000 0.435 1662 Q N 1.258 121.037 119.800 -0.034 0.000 2.173 1662 Q HA -0.222 4.115 4.340 -0.004 0.000 0.208 1662 Q C 1.632 177.476 176.000 -0.260 0.000 0.989 1662 Q CA 1.839 57.268 55.803 -0.624 0.000 0.872 1662 Q CB 0.014 28.249 28.738 -0.839 0.000 0.909 1662 Q HN 0.257 nan 8.270 nan 0.000 0.420 1663 K N -0.101 120.216 120.400 -0.137 0.000 2.155 1663 K HA -0.083 4.235 4.320 -0.004 0.000 0.203 1663 K C 2.230 178.843 176.600 0.021 0.000 1.052 1663 K CA 1.106 57.346 56.287 -0.079 0.000 0.948 1663 K CB 0.135 32.579 32.500 -0.094 0.000 0.728 1663 K HN 0.103 nan 8.250 nan 0.000 0.448 1664 K N 0.358 120.762 120.400 0.006 0.000 2.001 1664 K HA -0.087 4.230 4.320 -0.004 0.000 0.208 1664 K C 2.193 178.824 176.600 0.053 0.000 1.048 1664 K CA 1.325 57.629 56.287 0.028 0.000 0.932 1664 K CB -0.218 32.279 32.500 -0.005 0.000 0.715 1664 K HN 0.102 nan 8.250 nan 0.000 0.437 1665 A N 1.081 123.902 122.820 0.000 0.000 1.859 1665 A HA -0.271 4.047 4.320 -0.004 0.000 0.217 1665 A C 2.114 179.655 177.584 -0.073 0.000 1.198 1665 A CA 1.888 53.879 52.037 -0.078 0.000 0.629 1665 A CB -1.162 17.723 19.000 -0.192 0.000 0.830 1665 A HN 0.491 nan 8.150 nan 0.000 0.446 1666 Y N 0.506 120.707 120.300 -0.165 0.000 2.069 1666 Y HA -0.353 4.194 4.550 -0.004 0.000 0.278 1666 Y C 2.571 178.572 175.900 0.168 0.000 1.175 1666 Y CA 2.779 60.897 58.100 0.029 0.000 1.134 1666 Y CB -0.348 38.116 38.460 0.006 0.000 0.965 1666 Y HN 0.356 nan 8.280 nan 0.000 0.498 1667 R N -0.731 119.946 120.500 0.296 0.000 2.083 1667 R HA -0.230 4.107 4.340 -0.004 0.000 0.237 1667 R C 2.222 178.621 176.300 0.166 0.000 1.137 1667 R CA 1.948 58.167 56.100 0.199 0.000 0.951 1667 R CB -0.866 29.546 30.300 0.186 0.000 0.851 1667 R HN 0.453 nan 8.270 nan 0.000 0.434 1668 F N 0.830 120.787 119.950 0.012 0.000 2.046 1668 F HA -0.219 4.306 4.527 -0.004 0.000 0.297 1668 F C 1.980 177.775 175.800 -0.010 0.000 1.123 1668 F CA 1.645 59.639 58.000 -0.009 0.000 1.199 1668 F CB -1.072 37.914 39.000 -0.023 0.000 0.972 1668 F HN 0.087 nan 8.300 nan 0.000 0.474 1669 F N 0.440 120.309 119.950 -0.135 0.000 2.115 1669 F HA -0.326 4.199 4.527 -0.004 0.000 0.300 1669 F C 2.784 178.398 175.800 -0.310 0.000 1.092 1669 F CA 2.487 60.346 58.000 -0.235 0.000 1.245 1669 F CB -0.794 38.154 39.000 -0.087 0.000 0.995 1669 F HN 0.111 nan 8.300 nan 0.000 0.481 1670 H N -0.732 118.211 119.070 -0.211 0.000 2.395 1670 H HA -0.117 4.437 4.556 -0.004 0.000 0.299 1670 H C 1.984 177.102 175.328 -0.349 0.000 1.070 1670 H CA 1.418 57.270 56.048 -0.328 0.000 1.356 1670 H CB -0.456 29.133 29.762 -0.288 0.000 1.401 1670 H HN 0.334 nan 8.280 nan 0.000 0.524 1671 N N 0.678 119.277 118.700 -0.169 0.000 2.069 1671 N HA -0.118 4.620 4.740 -0.004 0.000 0.191 1671 N C 2.241 177.573 175.510 -0.295 0.000 1.031 1671 N CA 1.692 54.631 53.050 -0.185 0.000 0.852 1671 N CB -0.621 37.800 38.487 -0.110 0.000 1.018 1671 N HN 0.293 nan 8.380 nan 0.000 0.423 1672 G N 1.301 109.810 108.800 -0.486 0.000 2.480 1672 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.216 1672 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.216 1672 G C 1.578 176.246 174.900 -0.386 0.000 1.200 1672 G CA 0.865 45.677 45.100 -0.480 0.000 0.782 1672 G HN 0.323 nan 8.290 nan 0.000 0.554 1673 L N 0.062 120.873 121.223 -0.688 0.000 2.034 1673 L HA -0.180 4.157 4.340 -0.004 0.000 0.217 1673 L C 2.970 179.744 176.870 -0.159 0.000 1.077 1673 L CA 1.531 55.901 54.840 -0.784 0.000 0.769 1673 L CB -0.498 40.907 42.059 -1.090 0.000 0.890 1673 L HN 0.277 nan 8.230 nan 0.000 0.435 1674 I N -0.420 120.041 120.570 -0.182 0.000 2.353 1674 I HA -0.232 3.935 4.170 -0.004 0.000 0.248 1674 I C 1.287 177.407 176.117 0.005 0.000 1.119 1674 I CA 1.098 62.358 61.300 -0.066 0.000 1.417 1674 I CB -0.125 37.775 38.000 -0.166 0.000 1.078 1674 I HN 0.326 nan 8.210 nan 0.000 0.421 1675 N N 0.750 119.426 118.700 -0.040 0.000 2.204 1675 N HA 0.068 4.806 4.740 -0.004 0.000 0.219 1675 N C -0.350 175.159 175.510 -0.002 0.000 1.151 1675 N CA 0.079 53.114 53.050 -0.025 0.000 0.867 1675 N CB 0.080 38.535 38.487 -0.052 0.000 1.043 1675 N HN 0.138 nan 8.380 nan 0.000 0.516 1676 N N 0.415 119.142 118.700 0.045 0.000 2.754 1676 N HA -0.189 4.549 4.740 -0.004 0.000 0.248 1676 N C -0.358 175.183 175.510 0.051 0.000 1.093 1676 N CA 0.681 53.776 53.050 0.075 0.000 0.699 1676 N CB -0.999 37.492 38.487 0.007 0.000 1.016 1676 N HN 0.395 nan 8.380 nan 0.000 0.552 1677 K N 0.469 120.866 120.400 -0.006 0.000 2.896 1677 K HA 0.335 4.652 4.320 -0.004 0.000 0.210 1677 K C 1.470 178.028 176.600 -0.070 0.000 1.116 1677 K CA -0.270 56.019 56.287 0.002 0.000 1.050 1677 K CB 0.457 32.947 32.500 -0.017 0.000 0.812 1677 K HN 0.124 nan 8.250 nan 0.000 0.462 1678 L N 0.293 121.516 121.223 0.001 0.000 2.362 1678 L HA 0.020 4.358 4.340 -0.004 0.000 0.219 1678 L C 0.367 177.383 176.870 0.244 0.000 1.134 1678 L CA 1.022 55.871 54.840 0.016 0.000 0.807 1678 L CB -0.047 42.133 42.059 0.201 0.000 0.927 1678 L HN 0.236 nan 8.230 nan 0.000 0.447 1679 F N -0.037 119.999 119.950 0.144 0.000 2.493 1679 F HA 0.493 5.018 4.527 -0.004 0.000 0.329 1679 F C -0.693 175.179 175.800 0.120 0.000 1.126 1679 F CA -0.690 57.399 58.000 0.148 0.000 0.937 1679 F CB 1.571 40.654 39.000 0.139 0.000 1.146 1679 F HN -0.484 nan 8.300 nan 0.000 0.442 1680 V N 6.419 126.236 119.914 -0.163 0.000 2.409 1680 V HA 0.568 4.686 4.120 -0.004 0.000 0.290 1680 V C -0.063 175.905 176.094 -0.209 0.000 1.017 1680 V CA -0.774 61.510 62.300 -0.028 0.000 0.841 1680 V CB 1.267 33.108 31.823 0.030 0.000 1.003 1680 V HN 0.977 nan 8.190 nan 0.000 0.426 1681 A N 6.201 129.068 122.820 0.079 0.000 2.477 1681 A HA 0.445 4.762 4.320 -0.004 0.000 0.246 1681 A C 0.348 177.945 177.584 0.021 0.000 1.078 1681 A CA -0.122 51.986 52.037 0.119 0.000 0.770 1681 A CB 0.196 19.375 19.000 0.299 0.000 1.011 1681 A HN 0.651 nan 8.150 nan 0.000 0.494 1682 K N 1.606 121.998 120.400 -0.013 0.000 2.249 1682 K HA 0.148 4.466 4.320 -0.004 0.000 0.280 1682 K C -0.469 176.166 176.600 0.060 0.000 1.033 1682 K CA -0.281 55.993 56.287 -0.021 0.000 0.946 1682 K CB 1.309 33.764 32.500 -0.077 0.000 1.005 1682 K HN 0.679 nan 8.250 nan 0.000 0.469 1683 D N 0.852 121.288 120.400 0.060 0.000 2.380 1683 D HA 0.056 4.693 4.640 -0.004 0.000 0.212 1683 D C -0.210 176.131 176.300 0.068 0.000 1.021 1683 D CA 0.954 54.996 54.000 0.070 0.000 0.884 1683 D CB 0.634 41.469 40.800 0.058 0.000 1.001 1683 D HN 0.123 nan 8.370 nan 0.000 0.506 1684 K N 0.196 120.640 120.400 0.075 0.000 2.469 1684 K HA 0.677 4.995 4.320 -0.004 0.000 0.254 1684 K C -0.751 175.884 176.600 0.059 0.000 0.939 1684 K CA -0.771 55.543 56.287 0.045 0.000 0.812 1684 K CB 2.506 35.020 32.500 0.023 0.000 1.301 1684 K HN -0.067 nan 8.250 nan 0.000 0.433 1685 A N 2.530 125.298 122.820 -0.087 0.000 2.409 1685 A HA 0.272 4.589 4.320 -0.004 0.000 0.246 1685 A C -1.547 175.814 177.584 -0.372 0.000 1.099 1685 A CA -0.474 51.400 52.037 -0.272 0.000 0.789 1685 A CB -0.394 18.159 19.000 -0.745 0.000 1.053 1685 A HN 0.438 nan 8.150 nan 0.000 0.503 1686 P HA 0.007 nan 4.420 nan 0.000 0.223 1686 P C -0.533 176.713 177.300 -0.089 0.000 1.151 1686 P CA 1.211 64.007 63.100 -0.508 0.000 0.787 1686 P CB -0.150 31.039 31.700 -0.853 0.000 0.788 1687 Y N -1.716 118.685 120.300 0.168 0.000 2.409 1687 Y HA 0.561 5.108 4.550 -0.004 0.000 0.339 1687 Y C 0.376 176.345 175.900 0.115 0.000 1.033 1687 Y CA -1.943 56.294 58.100 0.228 0.000 1.094 1687 Y CB 0.613 39.241 38.460 0.279 0.000 1.210 1687 Y HN -0.232 nan 8.280 nan 0.000 0.456 1688 E N 1.687 122.010 120.200 0.204 0.000 2.422 1688 E HA -0.047 4.300 4.350 -0.004 0.000 0.260 1688 E C -0.214 176.492 176.600 0.177 0.000 1.108 1688 E CA -0.048 56.427 56.400 0.124 0.000 0.943 1688 E CB 0.581 30.337 29.700 0.093 0.000 0.961 1688 E HN 0.707 nan 8.360 nan 0.000 0.443 1689 D N 1.054 121.520 120.400 0.109 0.000 2.178 1689 D HA -0.166 4.472 4.640 -0.004 0.000 0.202 1689 D C 1.797 178.136 176.300 0.066 0.000 0.974 1689 D CA 0.858 54.920 54.000 0.104 0.000 0.841 1689 D CB -0.144 40.687 40.800 0.050 0.000 0.953 1689 D HN 0.409 nan 8.370 nan 0.000 0.478 1690 R N 1.142 121.673 120.500 0.051 0.000 2.134 1690 R HA -0.199 4.138 4.340 -0.004 0.000 0.248 1690 R C 1.931 178.239 176.300 0.013 0.000 1.143 1690 R CA 1.590 57.705 56.100 0.026 0.000 0.957 1690 R CB -0.540 29.777 30.300 0.030 0.000 0.867 1690 R HN 0.251 nan 8.270 nan 0.000 0.441 1691 I N 0.712 121.308 120.570 0.045 0.000 2.876 1691 I HA -0.131 4.036 4.170 -0.004 0.000 0.264 1691 I C 2.725 178.797 176.117 -0.076 0.000 1.204 1691 I CA 0.642 61.946 61.300 0.007 0.000 1.485 1691 I CB -0.493 37.540 38.000 0.056 0.000 1.103 1691 I HN 0.357 nan 8.210 nan 0.000 0.446 1692 Q N 1.795 121.556 119.800 -0.065 0.000 2.012 1692 Q HA -0.283 4.055 4.340 -0.004 0.000 0.211 1692 Q C 2.286 178.042 176.000 -0.406 0.000 1.009 1692 Q CA 3.073 58.701 55.803 -0.292 0.000 0.866 1692 Q CB -0.104 28.505 28.738 -0.215 0.000 0.945 1692 Q HN 0.459 nan 8.270 nan 0.000 0.414 1693 S N 0.634 116.134 115.700 -0.334 0.000 2.380 1693 S HA -0.212 4.255 4.470 -0.004 0.000 0.229 1693 S C 1.757 176.271 174.600 -0.144 0.000 1.043 1693 S CA 1.744 59.776 58.200 -0.279 0.000 1.038 1693 S CB -0.254 62.837 63.200 -0.181 0.000 0.872 1693 S HN 0.377 nan 8.310 nan 0.000 0.456 1694 K N 0.689 121.014 120.400 -0.125 0.000 2.002 1694 K HA -0.045 4.272 4.320 -0.004 0.000 0.209 1694 K C 2.152 178.687 176.600 -0.108 0.000 1.048 1694 K CA 1.395 57.625 56.287 -0.095 0.000 0.930 1694 K CB -0.716 31.733 32.500 -0.086 0.000 0.714 1694 K HN 0.214 nan 8.250 nan 0.000 0.438 1695 V N 1.399 121.199 119.914 -0.190 0.000 2.324 1695 V HA -0.268 3.850 4.120 -0.004 0.000 0.250 1695 V C 2.121 178.137 176.094 -0.129 0.000 1.060 1695 V CA 1.891 63.987 62.300 -0.339 0.000 1.042 1695 V CB -0.706 30.677 31.823 -0.733 0.000 0.650 1695 V HN 0.223 nan 8.190 nan 0.000 0.450 1696 F N -0.812 118.938 119.950 -0.332 0.000 2.216 1696 F HA -0.122 4.403 4.527 -0.004 0.000 0.300 1696 F C 2.085 177.863 175.800 -0.037 0.000 1.085 1696 F CA 1.165 59.062 58.000 -0.171 0.000 1.326 1696 F CB -0.076 38.814 39.000 -0.184 0.000 1.027 1696 F HN 0.105 nan 8.300 nan 0.000 0.497 1697 L N -0.911 120.365 121.223 0.089 0.000 2.416 1697 L HA 0.009 4.346 4.340 -0.004 0.000 0.216 1697 L C 0.394 177.221 176.870 -0.073 0.000 1.098 1697 L CA -0.010 54.836 54.840 0.009 0.000 0.840 1697 L CB -0.211 41.844 42.059 -0.007 0.000 0.981 1697 L HN -0.005 nan 8.230 nan 0.000 0.462 1698 N N 0.796 119.433 118.700 -0.104 0.000 2.439 1698 N HA 0.156 4.893 4.740 -0.004 0.000 0.249 1698 N C -2.149 173.172 175.510 -0.315 0.000 1.003 1698 N CA -2.225 50.731 53.050 -0.155 0.000 0.942 1698 N CB 1.440 39.861 38.487 -0.110 0.000 1.115 1698 N HN -0.189 nan 8.380 nan 0.000 0.505 1699 P HA -0.004 nan 4.420 nan 0.000 0.242 1699 P C 0.601 177.682 177.300 -0.364 0.000 1.197 1699 P CA 0.762 63.469 63.100 -0.656 0.000 0.765 1699 P CB 0.442 31.928 31.700 -0.357 0.000 0.936 1700 Q N -0.621 119.067 119.800 -0.186 0.000 2.349 1700 Q HA 0.068 4.406 4.340 -0.004 0.000 0.209 1700 Q C 0.766 176.778 176.000 0.020 0.000 0.920 1700 Q CA 0.414 56.185 55.803 -0.054 0.000 0.901 1700 Q CB -0.427 28.289 28.738 -0.035 0.000 1.021 1700 Q HN 0.290 nan 8.270 nan 0.000 0.519 1701 S N 1.828 117.521 115.700 -0.012 0.000 2.702 1701 S HA 0.082 4.550 4.470 -0.004 0.000 0.314 1701 S C 0.118 174.847 174.600 0.216 0.000 1.244 1701 S CA 0.210 58.423 58.200 0.023 0.000 1.058 1701 S CB 0.498 63.592 63.200 -0.177 0.000 0.783 1701 S HN 0.124 nan 8.310 nan 0.000 0.503 1702 R N 1.345 122.035 120.500 0.317 0.000 2.817 1702 R HA 0.595 4.932 4.340 -0.004 0.000 0.268 1702 R C -1.306 175.201 176.300 0.346 0.000 1.027 1702 R CA -1.043 55.310 56.100 0.422 0.000 0.928 1702 R CB 1.727 32.157 30.300 0.216 0.000 1.228 1702 R HN 0.506 nan 8.270 nan 0.000 0.469 1703 V N 1.494 121.460 119.914 0.087 0.000 2.509 1703 V HA 0.260 4.377 4.120 -0.004 0.000 0.284 1703 V C 0.281 176.340 176.094 -0.058 0.000 1.047 1703 V CA -0.104 62.107 62.300 -0.148 0.000 0.952 1703 V CB 1.605 33.176 31.823 -0.420 0.000 0.988 1703 V HN 0.908 nan 8.190 nan 0.000 0.469 1704 T N 2.899 117.430 114.554 -0.039 0.000 2.824 1704 T HA 0.463 4.811 4.350 -0.004 0.000 0.280 1704 T C -0.346 174.335 174.700 -0.033 0.000 0.995 1704 T CA -0.614 61.471 62.100 -0.025 0.000 1.009 1704 T CB 1.447 70.318 68.868 0.005 0.000 0.955 1704 T HN 0.685 nan 8.240 nan 0.000 0.452 1705 Q N 1.804 121.585 119.800 -0.032 0.000 2.395 1705 Q HA 0.200 4.538 4.340 -0.004 0.000 0.271 1705 Q C -0.089 175.905 176.000 -0.011 0.000 1.026 1705 Q CA 0.192 55.981 55.803 -0.023 0.000 0.900 1705 Q CB 0.558 29.281 28.738 -0.025 0.000 1.266 1705 Q HN 0.772 nan 8.270 nan 0.000 0.430 1706 E N 0.357 120.555 120.200 -0.004 0.000 2.518 1706 E HA 0.187 4.534 4.350 -0.004 0.000 0.241 1706 E C 0.666 177.267 176.600 0.003 0.000 0.899 1706 E CA -0.018 56.384 56.400 0.003 0.000 0.888 1706 E CB 1.099 30.804 29.700 0.008 0.000 1.426 1706 E HN 0.760 nan 8.360 nan 0.000 0.401 1707 S N 0.295 115.999 115.700 0.007 0.000 2.522 1707 S HA -0.096 4.372 4.470 -0.004 0.000 0.227 1707 S C 0.940 175.544 174.600 0.006 0.000 0.986 1707 S CA 0.562 58.765 58.200 0.006 0.000 0.929 1707 S CB -0.370 62.835 63.200 0.008 0.000 0.769 1707 S HN 0.451 nan 8.310 nan 0.000 0.529 1708 N N 1.058 119.763 118.700 0.008 0.000 2.279 1708 N HA 0.247 4.985 4.740 -0.004 0.000 0.226 1708 N C 0.972 176.486 175.510 0.006 0.000 1.126 1708 N CA 0.259 53.314 53.050 0.009 0.000 0.846 1708 N CB -0.404 38.090 38.487 0.013 0.000 1.050 1708 N HN 0.410 nan 8.380 nan 0.000 0.502 1709 G N -0.066 108.734 108.800 0.002 0.000 2.233 1709 G HA2 -0.310 3.647 3.960 -0.004 0.000 0.270 1709 G HA3 -0.310 3.647 3.960 -0.004 0.000 0.270 1709 G C -0.411 174.487 174.900 -0.003 0.000 1.011 1709 G CA 0.309 45.406 45.100 -0.005 0.000 0.762 1709 G HN 0.530 nan 8.290 nan 0.000 0.511 1710 E N -0.671 119.533 120.200 0.007 0.000 2.204 1710 E HA 0.504 4.852 4.350 -0.004 0.000 0.276 1710 E C 0.405 177.018 176.600 0.022 0.000 0.974 1710 E CA -0.830 55.583 56.400 0.023 0.000 0.815 1710 E CB 1.177 30.897 29.700 0.034 0.000 1.119 1710 E HN 0.220 nan 8.360 nan 0.000 0.393 1711 L N 3.730 124.985 121.223 0.054 0.000 2.281 1711 L HA 0.318 4.655 4.340 -0.004 0.000 0.285 1711 L C -0.023 176.808 176.870 -0.065 0.000 1.074 1711 L CA 0.206 55.053 54.840 0.011 0.000 0.817 1711 L CB 0.241 42.339 42.059 0.065 0.000 1.168 1711 L HN 0.310 nan 8.230 nan 0.000 0.434 1712 K N 3.314 123.639 120.400 -0.125 0.000 2.502 1712 K HA 0.464 4.781 4.320 -0.004 0.000 0.257 1712 K C -1.011 175.493 176.600 -0.161 0.000 0.938 1712 K CA -0.798 55.387 56.287 -0.171 0.000 0.819 1712 K CB 2.340 34.819 32.500 -0.036 0.000 1.333 1712 K HN 0.116 nan 8.250 nan 0.000 0.434 1713 F N 2.599 122.558 119.950 0.015 0.000 2.553 1713 F HA 0.096 4.621 4.527 -0.004 0.000 0.356 1713 F C -1.497 174.326 175.800 0.039 0.000 1.142 1713 F CA -0.874 57.149 58.000 0.039 0.000 1.322 1713 F CB 0.242 39.288 39.000 0.078 0.000 1.126 1713 F HN 0.252 nan 8.300 nan 0.000 0.599 1714 P HA 0.427 nan 4.420 nan 0.000 0.292 1714 P C -1.202 176.164 177.300 0.109 0.000 1.283 1714 P CA -0.511 62.668 63.100 0.132 0.000 0.835 1714 P CB 1.574 33.335 31.700 0.101 0.000 1.017 1715 A N 0.000 122.868 122.820 0.080 0.000 2.254 1715 A HA 0.000 4.318 4.320 -0.004 0.000 0.244 1715 A CA 0.000 52.073 52.037 0.060 0.000 0.836 1715 A CB 0.000 19.034 19.000 0.057 0.000 0.831 1715 A HN 0.000 nan 8.150 nan 0.000 0.486