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 2uv9_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRPEVEQELA YTLLVELLAY QFAMPVRWIE TQDVILAEKR TERIVEIGPS DATA SEQUENCE DTLGGMARRT LQSKYEAYDA ATSVQRQILC YCKDAKEIYY DVEPXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXIDALTK DQRALFKQQL EIIARYLKMD DATA SEQUENCE LRAGDKAFVA SQESQKALQA QLDLWQAEHG DIYAAGIEPA FDPLKARVYD DATA SEQUENCE SSWNWARQDA LSMYYDIIFG RLRVVDREIV SQCIQIMNRS NPLLLEFMQY DATA SEQUENCE HIDHCPTERG ETYQLAKELG QQLIENCKEV LGKPPVYKDV SIPTGPQTTI DATA SEQUENCE DARGNIQYQE VPRASARKFE HYVKQMAEGG PISQYSNRTK VQNDLRSVYK DATA SEQUENCE LIRRQHRLSK SSQLQFNALY KDVIRALAMN ESQIMQXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXE 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 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 R N 0.851 121.355 120.500 0.007 0.000 2.298 2 R HA 0.234 4.575 4.340 0.002 0.000 0.310 2 R C -1.705 174.599 176.300 0.007 0.000 1.068 2 R CA -1.329 54.775 56.100 0.006 0.000 0.957 2 R CB 0.442 30.744 30.300 0.005 0.000 1.003 2 R HN -0.091 nan 8.270 nan 0.000 0.454 3 P HA -0.184 nan 4.420 nan 0.000 0.215 3 P C 0.644 177.948 177.300 0.006 0.000 1.157 3 P CA 1.106 64.211 63.100 0.008 0.000 0.863 3 P CB 0.290 31.994 31.700 0.006 0.000 0.787 4 E N -0.450 119.751 120.200 0.001 0.000 2.118 4 E HA -0.120 4.232 4.350 0.002 0.000 0.195 4 E C 2.091 178.689 176.600 -0.004 0.000 0.992 4 E CA 1.027 57.425 56.400 -0.005 0.000 0.804 4 E CB -1.154 28.541 29.700 -0.008 0.000 0.741 4 E HN 0.139 nan 8.360 nan 0.000 0.458 5 V N 1.456 121.371 119.914 0.002 0.000 2.302 5 V HA -0.193 3.928 4.120 0.002 0.000 0.243 5 V C 2.223 178.327 176.094 0.017 0.000 1.036 5 V CA 1.593 63.898 62.300 0.007 0.000 1.020 5 V CB -0.470 31.358 31.823 0.008 0.000 0.657 5 V HN 0.210 nan 8.190 nan 0.000 0.453 6 E N -0.359 119.852 120.200 0.019 0.000 2.187 6 E HA -0.308 4.043 4.350 0.002 0.000 0.199 6 E C 2.291 178.915 176.600 0.040 0.000 1.004 6 E CA 1.520 57.936 56.400 0.027 0.000 0.813 6 E CB -0.110 29.603 29.700 0.023 0.000 0.736 6 E HN 0.625 nan 8.360 nan 0.000 0.468 7 Q N 0.481 120.301 119.800 0.034 0.000 1.942 7 Q HA -0.190 4.152 4.340 0.002 0.000 0.203 7 Q C 2.105 178.148 176.000 0.073 0.000 0.987 7 Q CA 1.379 57.211 55.803 0.048 0.000 0.844 7 Q CB -0.104 28.645 28.738 0.019 0.000 0.911 7 Q HN 0.350 nan 8.270 nan 0.000 0.423 8 E N 0.312 120.526 120.200 0.022 0.000 2.273 8 E HA -0.212 4.139 4.350 0.002 0.000 0.198 8 E C 1.941 178.608 176.600 0.111 0.000 1.002 8 E CA 0.627 57.035 56.400 0.013 0.000 0.828 8 E CB -0.028 29.650 29.700 -0.037 0.000 0.747 8 E HN 0.155 nan 8.360 nan 0.000 0.491 9 L N 0.902 122.179 121.223 0.090 0.000 1.982 9 L HA -0.075 4.266 4.340 0.002 0.000 0.206 9 L C 2.471 179.406 176.870 0.108 0.000 1.078 9 L CA 1.890 56.783 54.840 0.088 0.000 0.749 9 L CB -1.085 41.006 42.059 0.054 0.000 0.894 9 L HN 0.032 nan 8.230 nan 0.000 0.436 10 A N -1.583 121.292 122.820 0.092 0.000 1.997 10 A HA -0.337 3.984 4.320 0.002 0.000 0.221 10 A C 2.290 179.935 177.584 0.102 0.000 1.172 10 A CA 2.160 54.244 52.037 0.079 0.000 0.645 10 A CB -1.199 17.840 19.000 0.066 0.000 0.813 10 A HN 0.566 nan 8.150 nan 0.000 0.454 11 Y N 1.384 121.696 120.300 0.020 0.000 2.036 11 Y HA -0.264 4.287 4.550 0.002 0.000 0.273 11 Y C 2.736 178.653 175.900 0.029 0.000 1.135 11 Y CA 2.853 60.967 58.100 0.022 0.000 1.106 11 Y CB -0.723 37.749 38.460 0.020 0.000 0.976 11 Y HN 0.333 nan 8.280 nan 0.000 0.483 12 T N 1.303 116.013 114.554 0.260 0.000 2.915 12 T HA -0.161 4.191 4.350 0.002 0.000 0.269 12 T C 1.739 176.460 174.700 0.036 0.000 1.071 12 T CA 1.135 63.315 62.100 0.134 0.000 1.132 12 T CB -0.575 68.425 68.868 0.220 0.000 0.878 12 T HN 0.295 nan 8.240 nan 0.000 0.479 13 L N 1.254 122.503 121.223 0.044 0.000 2.017 13 L HA 0.039 4.380 4.340 0.002 0.000 0.208 13 L C 2.162 179.031 176.870 -0.001 0.000 1.073 13 L CA 1.485 56.340 54.840 0.025 0.000 0.745 13 L CB -1.084 40.992 42.059 0.028 0.000 0.894 13 L HN 0.170 nan 8.230 nan 0.000 0.432 14 L N -0.866 120.336 121.223 -0.036 0.000 1.994 14 L HA -0.178 4.163 4.340 0.002 0.000 0.208 14 L C 2.592 179.407 176.870 -0.093 0.000 1.071 14 L CA 2.001 56.802 54.840 -0.065 0.000 0.745 14 L CB -0.891 41.110 42.059 -0.096 0.000 0.892 14 L HN 0.196 nan 8.230 nan 0.000 0.431 15 V N 0.327 120.127 119.914 -0.189 0.000 2.324 15 V HA -0.267 3.854 4.120 0.002 0.000 0.250 15 V C 2.657 178.737 176.094 -0.023 0.000 1.060 15 V CA 1.758 63.952 62.300 -0.177 0.000 1.042 15 V CB -0.559 31.090 31.823 -0.289 0.000 0.650 15 V HN 0.457 nan 8.190 nan 0.000 0.450 16 E N -0.176 120.048 120.200 0.040 0.000 2.046 16 E HA -0.100 4.252 4.350 0.002 0.000 0.190 16 E C 2.269 178.995 176.600 0.208 0.000 0.982 16 E CA 0.826 57.331 56.400 0.176 0.000 0.800 16 E CB -0.383 29.416 29.700 0.165 0.000 0.756 16 E HN 0.492 nan 8.360 nan 0.000 0.449 17 L N 0.799 122.082 121.223 0.099 0.000 2.013 17 L HA -0.237 4.104 4.340 0.002 0.000 0.212 17 L C 2.591 179.512 176.870 0.085 0.000 1.073 17 L CA 1.176 56.065 54.840 0.081 0.000 0.753 17 L CB -0.409 41.669 42.059 0.031 0.000 0.890 17 L HN 0.123 nan 8.230 nan 0.000 0.432 18 L N -1.180 120.067 121.223 0.040 0.000 1.994 18 L HA -0.210 4.132 4.340 0.002 0.000 0.208 18 L C 2.882 179.773 176.870 0.035 0.000 1.071 18 L CA 1.219 56.062 54.840 0.004 0.000 0.745 18 L CB -0.988 41.052 42.059 -0.031 0.000 0.892 18 L HN 0.277 nan 8.230 nan 0.000 0.431 19 A N -0.236 122.629 122.820 0.075 0.000 1.903 19 A HA -0.277 4.044 4.320 0.002 0.000 0.219 19 A C 1.961 179.620 177.584 0.125 0.000 1.191 19 A CA 1.969 54.055 52.037 0.081 0.000 0.638 19 A CB -1.052 17.935 19.000 -0.021 0.000 0.823 19 A HN 0.466 nan 8.150 nan 0.000 0.451 20 Y N -0.549 119.827 120.300 0.127 0.000 2.511 20 Y HA 0.007 4.558 4.550 0.002 0.000 0.279 20 Y C 2.395 178.368 175.900 0.121 0.000 1.157 20 Y CA 0.786 58.965 58.100 0.133 0.000 1.300 20 Y CB -0.075 38.429 38.460 0.073 0.000 1.052 20 Y HN 0.471 nan 8.280 nan 0.000 0.529 21 Q N -0.037 119.868 119.800 0.175 0.000 2.181 21 Q HA -0.227 4.115 4.340 0.002 0.000 0.205 21 Q C 1.467 177.491 176.000 0.040 0.000 0.980 21 Q CA 1.641 57.477 55.803 0.055 0.000 0.862 21 Q CB -0.288 28.414 28.738 -0.060 0.000 0.905 21 Q HN 0.480 nan 8.270 nan 0.000 0.429 22 F N 0.380 120.344 119.950 0.023 0.000 2.045 22 F HA -0.269 4.259 4.527 0.002 0.000 0.297 22 F C 2.170 177.986 175.800 0.026 0.000 1.114 22 F CA 1.747 59.751 58.000 0.007 0.000 1.207 22 F CB -0.419 38.568 39.000 -0.022 0.000 0.964 22 F HN 0.169 nan 8.300 nan 0.000 0.486 23 A N -1.162 121.829 122.820 0.285 0.000 2.460 23 A HA 0.298 4.619 4.320 0.002 0.000 0.258 23 A C 0.413 178.088 177.584 0.152 0.000 1.300 23 A CA -0.030 52.120 52.037 0.190 0.000 0.913 23 A CB -0.274 18.830 19.000 0.173 0.000 1.031 23 A HN 0.058 nan 8.150 nan 0.000 0.512 24 M N 0.735 120.418 119.600 0.138 0.000 2.383 24 M HA 0.407 4.888 4.480 0.002 0.000 0.325 24 M C -2.783 173.561 176.300 0.073 0.000 1.092 24 M CA -2.570 52.789 55.300 0.098 0.000 0.961 24 M CB 0.744 33.401 32.600 0.095 0.000 1.672 24 M HN -0.115 nan 8.290 nan 0.000 0.438 25 P HA 0.121 nan 4.420 nan 0.000 0.269 25 P C -0.659 176.676 177.300 0.058 0.000 1.217 25 P CA -0.383 62.749 63.100 0.053 0.000 0.783 25 P CB 0.382 32.110 31.700 0.047 0.000 0.898 26 V N 3.468 123.419 119.914 0.062 0.000 2.320 26 V HA 0.165 4.286 4.120 0.002 0.000 0.265 26 V C 1.213 177.381 176.094 0.124 0.000 1.048 26 V CA -0.482 61.871 62.300 0.088 0.000 0.865 26 V CB -0.153 31.712 31.823 0.070 0.000 1.043 26 V HN 0.497 nan 8.190 nan 0.000 0.474 27 R N 4.483 125.052 120.500 0.115 0.000 4.164 27 R HA 0.028 4.370 4.340 0.002 0.000 0.195 27 R C 0.965 177.347 176.300 0.137 0.000 1.712 27 R CA -0.388 55.773 56.100 0.101 0.000 1.457 27 R CB -0.053 30.276 30.300 0.049 0.000 1.387 27 R HN 0.900 nan 8.270 nan 0.000 0.785 28 W N 2.786 124.081 121.300 -0.009 0.000 2.595 28 W HA -0.113 4.548 4.660 0.002 0.000 0.257 28 W C 0.811 177.321 176.519 -0.015 0.000 1.267 28 W CA 0.239 57.575 57.345 -0.015 0.000 1.300 28 W CB 0.234 29.683 29.460 -0.017 0.000 1.120 28 W HN 0.347 nan 8.180 nan 0.000 0.618 29 I N 1.579 122.152 120.570 0.005 0.000 2.090 29 I HA -0.307 3.864 4.170 0.002 0.000 0.236 29 I C 2.120 178.140 176.117 -0.162 0.000 1.064 29 I CA 1.954 63.208 61.300 -0.076 0.000 1.324 29 I CB -1.300 36.701 38.000 0.002 0.000 1.044 29 I HN 0.046 nan 8.210 nan 0.000 0.399 30 E N -0.047 120.090 120.200 -0.104 0.000 2.204 30 E HA -0.162 4.189 4.350 0.002 0.000 0.195 30 E C 1.930 178.427 176.600 -0.172 0.000 0.990 30 E CA 1.604 57.941 56.400 -0.104 0.000 0.821 30 E CB -0.327 29.340 29.700 -0.055 0.000 0.750 30 E HN 0.488 nan 8.360 nan 0.000 0.477 31 T N 1.344 115.744 114.554 -0.257 0.000 2.737 31 T HA -0.169 4.183 4.350 0.002 0.000 0.265 31 T C 1.880 176.265 174.700 -0.524 0.000 1.038 31 T CA 1.051 62.932 62.100 -0.365 0.000 1.144 31 T CB -0.176 68.444 68.868 -0.413 0.000 0.866 31 T HN 0.169 nan 8.240 nan 0.000 0.434 32 Q N 0.546 119.903 119.800 -0.737 0.000 2.181 32 Q HA -0.163 4.179 4.340 0.002 0.000 0.205 32 Q C 1.804 177.585 176.000 -0.365 0.000 0.980 32 Q CA 1.512 56.927 55.803 -0.646 0.000 0.862 32 Q CB -0.185 28.177 28.738 -0.627 0.000 0.905 32 Q HN 0.525 nan 8.270 nan 0.000 0.429 33 D N -0.691 119.559 120.400 -0.250 0.000 2.194 33 D HA -0.080 4.561 4.640 0.002 0.000 0.204 33 D C 1.745 177.992 176.300 -0.088 0.000 0.964 33 D CA 0.475 54.417 54.000 -0.098 0.000 0.846 33 D CB 0.183 40.970 40.800 -0.023 0.000 0.962 33 D HN -0.009 nan 8.370 nan 0.000 0.490 34 V N 0.819 120.657 119.914 -0.127 0.000 2.515 34 V HA -0.162 3.960 4.120 0.002 0.000 0.250 34 V C 2.166 178.204 176.094 -0.094 0.000 1.058 34 V CA 1.069 63.311 62.300 -0.095 0.000 1.064 34 V CB -0.273 31.493 31.823 -0.095 0.000 0.675 34 V HN 0.279 nan 8.190 nan 0.000 0.461 35 I N -0.873 119.614 120.570 -0.139 0.000 2.333 35 I HA -0.134 4.037 4.170 0.002 0.000 0.246 35 I C 2.151 178.209 176.117 -0.098 0.000 1.106 35 I CA 1.376 62.604 61.300 -0.119 0.000 1.411 35 I CB -0.128 37.777 38.000 -0.158 0.000 1.082 35 I HN 0.255 nan 8.210 nan 0.000 0.420 36 L N 0.158 121.299 121.223 -0.136 0.000 2.162 36 L HA 0.019 4.360 4.340 0.002 0.000 0.205 36 L C 2.579 179.461 176.870 0.020 0.000 1.086 36 L CA 0.981 55.747 54.840 -0.123 0.000 0.778 36 L CB -0.390 41.395 42.059 -0.455 0.000 0.928 36 L HN 0.177 nan 8.230 nan 0.000 0.446 37 A N -0.606 122.225 122.820 0.017 0.000 1.909 37 A HA -0.074 4.247 4.320 0.002 0.000 0.209 37 A C 2.147 179.703 177.584 -0.046 0.000 1.247 37 A CA 0.527 52.502 52.037 -0.103 0.000 0.660 37 A CB -0.184 18.720 19.000 -0.160 0.000 0.910 37 A HN 0.268 nan 8.150 nan 0.000 0.465 38 E N 0.226 120.408 120.200 -0.029 0.000 2.028 38 E HA -0.095 4.256 4.350 0.002 0.000 0.190 38 E C 1.222 177.826 176.600 0.008 0.000 0.984 38 E CA 1.087 57.481 56.400 -0.010 0.000 0.800 38 E CB -0.012 29.675 29.700 -0.022 0.000 0.758 38 E HN 0.483 nan 8.360 nan 0.000 0.448 39 K N 0.196 120.595 120.400 -0.002 0.000 2.372 39 K HA 0.180 4.502 4.320 0.002 0.000 0.200 39 K C -0.272 176.341 176.600 0.022 0.000 1.022 39 K CA -0.221 56.070 56.287 0.008 0.000 1.125 39 K CB 0.401 32.898 32.500 -0.005 0.000 0.855 39 K HN 0.041 nan 8.250 nan 0.000 0.524 40 R N 2.344 122.864 120.500 0.034 0.000 2.828 40 R HA -0.136 4.205 4.340 0.002 0.000 0.233 40 R C -0.282 176.048 176.300 0.049 0.000 0.821 40 R CA 0.887 57.027 56.100 0.066 0.000 0.563 40 R CB -1.986 28.387 30.300 0.122 0.000 1.117 40 R HN 0.355 nan 8.270 nan 0.000 0.508 41 T N -2.575 111.991 114.554 0.019 0.000 2.870 41 T HA 0.135 4.486 4.350 0.002 0.000 0.300 41 T C 1.073 175.786 174.700 0.021 0.000 0.989 41 T CA -0.587 61.522 62.100 0.015 0.000 1.139 41 T CB 1.336 70.202 68.868 -0.003 0.000 0.920 41 T HN 0.395 nan 8.240 nan 0.000 0.537 42 E N 1.867 122.085 120.200 0.029 0.000 2.442 42 E HA 0.069 4.420 4.350 0.002 0.000 0.195 42 E C 0.973 177.586 176.600 0.021 0.000 1.030 42 E CA 0.112 56.531 56.400 0.031 0.000 0.869 42 E CB 0.333 30.056 29.700 0.038 0.000 0.857 42 E HN 0.534 nan 8.360 nan 0.000 0.505 43 R N 1.606 122.115 120.500 0.016 0.000 2.607 43 R HA 0.274 4.615 4.340 0.002 0.000 0.278 43 R C -1.066 175.239 176.300 0.008 0.000 1.637 43 R CA -0.235 55.872 56.100 0.011 0.000 1.325 43 R CB 0.473 30.783 30.300 0.017 0.000 1.211 43 R HN 0.014 nan 8.270 nan 0.000 0.565 44 I N 4.048 124.620 120.570 0.003 0.000 2.471 44 I HA 0.174 4.345 4.170 0.002 0.000 0.286 44 I C 0.002 176.132 176.117 0.022 0.000 1.079 44 I CA -0.455 60.851 61.300 0.010 0.000 1.398 44 I CB 1.390 39.391 38.000 0.002 0.000 1.403 44 I HN 0.119 nan 8.210 nan 0.000 0.530 45 V N 6.332 126.268 119.914 0.038 0.000 2.604 45 V HA 0.328 4.450 4.120 0.002 0.000 0.305 45 V C -0.038 176.103 176.094 0.078 0.000 1.043 45 V CA -0.688 61.641 62.300 0.049 0.000 0.888 45 V CB 2.023 33.875 31.823 0.047 0.000 0.995 45 V HN 0.726 nan 8.190 nan 0.000 0.429 46 E N 3.862 124.113 120.200 0.084 0.000 2.202 46 E HA 0.654 5.005 4.350 0.002 0.000 0.272 46 E C -1.482 175.192 176.600 0.124 0.000 0.951 46 E CA -0.670 55.785 56.400 0.093 0.000 0.813 46 E CB 1.776 31.520 29.700 0.073 0.000 1.151 46 E HN 0.603 nan 8.360 nan 0.000 0.398 47 I N 3.474 124.098 120.570 0.091 0.000 2.468 47 I HA 0.557 4.729 4.170 0.002 0.000 0.284 47 I C 0.100 176.209 176.117 -0.014 0.000 1.038 47 I CA -0.420 60.925 61.300 0.075 0.000 1.083 47 I CB 1.524 39.560 38.000 0.061 0.000 1.223 47 I HN 0.733 nan 8.210 nan 0.000 0.443 48 G N 6.557 115.337 108.800 -0.035 0.000 2.325 48 G HA2 0.311 4.272 3.960 0.002 0.000 0.295 48 G HA3 0.311 4.272 3.960 0.002 0.000 0.295 48 G C -2.892 171.977 174.900 -0.051 0.000 1.274 48 G CA -0.291 44.768 45.100 -0.068 0.000 0.857 48 G HN 0.287 nan 8.290 nan 0.000 0.499 49 P HA 0.305 nan 4.420 nan 0.000 0.245 49 P C 0.322 177.616 177.300 -0.010 0.000 1.203 49 P CA 0.460 63.542 63.100 -0.030 0.000 0.792 49 P CB 0.781 32.456 31.700 -0.042 0.000 0.997 50 S N -0.119 115.573 115.700 -0.013 0.000 2.618 50 S HA 0.253 4.724 4.470 0.002 0.000 0.277 50 S C -0.947 173.651 174.600 -0.005 0.000 1.138 50 S CA -0.647 57.547 58.200 -0.009 0.000 0.844 50 S CB 1.291 64.477 63.200 -0.023 0.000 1.127 50 S HN 0.099 nan 8.310 nan 0.000 0.474 51 D N 0.834 121.233 120.400 -0.002 0.000 3.134 51 D HA 0.056 4.698 4.640 0.002 0.000 0.248 51 D C 1.273 177.568 176.300 -0.009 0.000 1.273 51 D CA -0.174 53.828 54.000 0.002 0.000 0.904 51 D CB -0.495 40.309 40.800 0.007 0.000 1.089 51 D HN 0.540 nan 8.370 nan 0.000 0.478 52 T N -1.734 112.803 114.554 -0.028 0.000 2.770 52 T HA -0.092 4.260 4.350 0.002 0.000 0.263 52 T C 2.053 176.724 174.700 -0.049 0.000 1.039 52 T CA 0.336 62.407 62.100 -0.048 0.000 1.142 52 T CB -0.421 68.400 68.868 -0.079 0.000 0.868 52 T HN 0.236 nan 8.240 nan 0.000 0.435 53 L N 1.002 122.191 121.223 -0.056 0.000 2.465 53 L HA 0.213 4.554 4.340 0.002 0.000 0.224 53 L C 2.844 179.765 176.870 0.084 0.000 1.145 53 L CA 0.669 55.509 54.840 -0.001 0.000 0.834 53 L CB -0.619 41.437 42.059 -0.005 0.000 0.944 53 L HN 0.504 nan 8.230 nan 0.000 0.451 54 G N -0.340 108.486 108.800 0.044 0.000 2.404 54 G HA2 -0.127 3.834 3.960 0.002 0.000 0.213 54 G HA3 -0.127 3.834 3.960 0.002 0.000 0.213 54 G C 1.514 176.434 174.900 0.033 0.000 1.189 54 G CA 0.571 45.696 45.100 0.042 0.000 0.796 54 G HN 0.420 nan 8.290 nan 0.000 0.532 55 G N 0.144 108.957 108.800 0.022 0.000 2.679 55 G HA2 0.027 3.988 3.960 0.002 0.000 0.212 55 G HA3 0.027 3.988 3.960 0.002 0.000 0.212 55 G C 1.556 176.473 174.900 0.029 0.000 1.137 55 G CA 0.754 45.865 45.100 0.018 0.000 0.787 55 G HN 0.418 nan 8.290 nan 0.000 0.534 56 M N 0.293 119.923 119.600 0.049 0.000 2.325 56 M HA 0.335 4.816 4.480 0.002 0.000 0.265 56 M C 2.585 178.945 176.300 0.099 0.000 1.094 56 M CA 1.284 56.635 55.300 0.086 0.000 1.161 56 M CB 0.234 32.905 32.600 0.117 0.000 1.358 56 M HN 0.178 nan 8.290 nan 0.000 0.446 57 A N 0.013 122.890 122.820 0.094 0.000 2.067 57 A HA -0.021 4.300 4.320 0.002 0.000 0.217 57 A C 1.994 179.561 177.584 -0.028 0.000 1.156 57 A CA 0.888 52.939 52.037 0.024 0.000 0.683 57 A CB -0.446 18.573 19.000 0.031 0.000 0.808 57 A HN 0.509 nan 8.150 nan 0.000 0.455 58 R N -0.622 119.878 120.500 -0.000 0.000 2.090 58 R HA 0.031 4.372 4.340 0.002 0.000 0.228 58 R C 2.300 178.599 176.300 -0.002 0.000 1.110 58 R CA 1.176 57.273 56.100 -0.005 0.000 0.973 58 R CB -0.183 30.121 30.300 0.006 0.000 0.869 58 R HN 0.404 nan 8.270 nan 0.000 0.440 59 R N -0.142 120.364 120.500 0.010 0.000 2.115 59 R HA -0.055 4.286 4.340 0.002 0.000 0.226 59 R C 1.912 178.222 176.300 0.017 0.000 1.100 59 R CA 1.716 57.828 56.100 0.019 0.000 0.980 59 R CB -0.116 30.201 30.300 0.029 0.000 0.875 59 R HN 0.340 nan 8.270 nan 0.000 0.445 60 T N -1.058 113.489 114.554 -0.012 0.000 3.085 60 T HA 0.066 4.417 4.350 0.002 0.000 0.263 60 T C 1.764 176.425 174.700 -0.065 0.000 1.127 60 T CA 0.445 62.522 62.100 -0.038 0.000 1.103 60 T CB 0.036 68.836 68.868 -0.113 0.000 0.921 60 T HN 0.124 nan 8.240 nan 0.000 0.510 61 L N -0.119 121.066 121.223 -0.063 0.000 2.446 61 L HA 0.141 4.483 4.340 0.002 0.000 0.219 61 L C 2.676 179.596 176.870 0.083 0.000 1.116 61 L CA 0.725 55.562 54.840 -0.005 0.000 0.844 61 L CB -0.232 41.809 42.059 -0.030 0.000 0.970 61 L HN 0.322 nan 8.230 nan 0.000 0.457 62 Q N -0.815 119.021 119.800 0.061 0.000 2.226 62 Q HA -0.070 4.271 4.340 0.002 0.000 0.199 62 Q C 2.426 178.470 176.000 0.073 0.000 0.945 62 Q CA 1.346 57.187 55.803 0.063 0.000 0.861 62 Q CB 0.114 28.877 28.738 0.041 0.000 0.953 62 Q HN 0.440 nan 8.270 nan 0.000 0.490 63 S N 0.586 116.331 115.700 0.075 0.000 2.377 63 S HA -0.023 4.448 4.470 0.002 0.000 0.223 63 S C 1.817 176.472 174.600 0.090 0.000 1.030 63 S CA 0.788 59.031 58.200 0.071 0.000 0.970 63 S CB 0.068 63.303 63.200 0.059 0.000 0.830 63 S HN 0.122 nan 8.310 nan 0.000 0.473 64 K N -0.764 119.729 120.400 0.155 0.000 2.273 64 K HA 0.241 4.562 4.320 0.002 0.000 0.206 64 K C 1.053 177.736 176.600 0.138 0.000 1.072 64 K CA 0.404 56.782 56.287 0.152 0.000 0.953 64 K CB -0.074 32.563 32.500 0.228 0.000 1.043 64 K HN 0.317 nan 8.250 nan 0.000 0.477 65 Y N 1.877 122.182 120.300 0.008 0.000 2.477 65 Y HA 0.005 4.556 4.550 0.002 0.000 0.303 65 Y C 1.814 177.759 175.900 0.076 0.000 1.202 65 Y CA 0.148 58.269 58.100 0.035 0.000 1.282 65 Y CB -0.214 38.243 38.460 -0.004 0.000 1.071 65 Y HN 0.151 nan 8.280 nan 0.000 0.510 66 E N 1.273 121.572 120.200 0.165 0.000 2.033 66 E HA -0.238 4.114 4.350 0.002 0.000 0.199 66 E C 2.284 178.942 176.600 0.097 0.000 1.011 66 E CA 1.921 58.389 56.400 0.113 0.000 0.815 66 E CB -0.276 29.469 29.700 0.075 0.000 0.755 66 E HN 0.317 nan 8.360 nan 0.000 0.451 67 A N -0.838 122.027 122.820 0.076 0.000 1.898 67 A HA -0.102 4.219 4.320 0.002 0.000 0.214 67 A C 2.302 179.920 177.584 0.056 0.000 1.183 67 A CA 1.328 53.394 52.037 0.048 0.000 0.622 67 A CB -1.034 17.980 19.000 0.024 0.000 0.824 67 A HN 0.495 nan 8.150 nan 0.000 0.444 68 Y N 1.138 121.412 120.300 -0.043 0.000 2.128 68 Y HA -0.288 4.263 4.550 0.002 0.000 0.284 68 Y C 1.906 177.810 175.900 0.006 0.000 1.154 68 Y CA 2.282 60.349 58.100 -0.055 0.000 1.149 68 Y CB -0.115 38.248 38.460 -0.162 0.000 0.976 68 Y HN 0.366 nan 8.280 nan 0.000 0.505 69 D N -0.173 120.397 120.400 0.284 0.000 2.117 69 D HA -0.139 4.503 4.640 0.002 0.000 0.198 69 D C 2.227 178.570 176.300 0.071 0.000 0.982 69 D CA 1.436 55.559 54.000 0.204 0.000 0.828 69 D CB -0.560 40.363 40.800 0.206 0.000 0.967 69 D HN 0.461 nan 8.370 nan 0.000 0.464 70 A N 0.565 123.416 122.820 0.051 0.000 1.969 70 A HA 0.050 4.372 4.320 0.002 0.000 0.218 70 A C 2.182 179.754 177.584 -0.021 0.000 1.169 70 A CA 1.947 53.994 52.037 0.017 0.000 0.635 70 A CB -0.552 18.460 19.000 0.021 0.000 0.810 70 A HN 0.234 nan 8.150 nan 0.000 0.445 71 A N -1.006 121.779 122.820 -0.059 0.000 1.843 71 A HA 0.008 4.329 4.320 0.002 0.000 0.213 71 A C 2.204 179.710 177.584 -0.130 0.000 1.202 71 A CA 1.931 53.907 52.037 -0.101 0.000 0.607 71 A CB -1.249 17.666 19.000 -0.142 0.000 0.847 71 A HN 0.376 nan 8.150 nan 0.000 0.445 72 T N -0.103 114.323 114.554 -0.215 0.000 2.977 72 T HA -0.015 4.336 4.350 0.002 0.000 0.271 72 T C 0.991 175.643 174.700 -0.080 0.000 1.105 72 T CA 1.446 63.420 62.100 -0.209 0.000 1.116 72 T CB -0.303 68.355 68.868 -0.349 0.000 0.878 72 T HN 0.906 nan 8.240 nan 0.000 0.509 73 S N -0.177 115.498 115.700 -0.042 0.000 3.586 73 S HA -0.161 4.311 4.470 0.002 0.000 0.309 73 S C 0.204 174.815 174.600 0.019 0.000 1.195 73 S CA 0.112 58.308 58.200 -0.007 0.000 0.895 73 S CB -2.118 61.074 63.200 -0.013 0.000 0.983 73 S HN 0.359 nan 8.310 nan 0.000 0.563 74 V N 2.869 122.810 119.914 0.045 0.000 2.479 74 V HA 0.191 4.312 4.120 0.002 0.000 0.281 74 V C 0.890 177.027 176.094 0.071 0.000 1.031 74 V CA 0.375 62.724 62.300 0.081 0.000 1.038 74 V CB 0.973 32.892 31.823 0.160 0.000 0.981 74 V HN 0.542 nan 8.190 nan 0.000 0.478 75 Q N 5.721 125.554 119.800 0.055 0.000 2.279 75 Q HA 0.530 4.872 4.340 0.002 0.000 0.256 75 Q C -0.400 175.627 176.000 0.044 0.000 0.937 75 Q CA -0.256 55.574 55.803 0.044 0.000 0.933 75 Q CB 1.442 30.201 28.738 0.035 0.000 1.189 75 Q HN 0.608 nan 8.270 nan 0.000 0.417 76 R N 2.000 122.523 120.500 0.038 0.000 2.561 76 R HA 0.316 4.657 4.340 0.002 0.000 0.297 76 R C -0.992 175.317 176.300 0.015 0.000 0.969 76 R CA -0.579 55.537 56.100 0.026 0.000 0.879 76 R CB 2.073 32.388 30.300 0.025 0.000 1.178 76 R HN 0.538 nan 8.270 nan 0.000 0.445 77 Q N 4.105 123.910 119.800 0.008 0.000 2.337 77 Q HA 0.347 4.689 4.340 0.002 0.000 0.264 77 Q C -1.251 174.746 176.000 -0.004 0.000 1.007 77 Q CA -0.413 55.391 55.803 0.001 0.000 0.727 77 Q CB 1.315 30.053 28.738 -0.000 0.000 1.256 77 Q HN 0.611 nan 8.270 nan 0.000 0.467 78 I N 5.542 126.110 120.570 -0.005 0.000 2.297 78 I HA 0.287 4.458 4.170 0.002 0.000 0.291 78 I C -0.627 175.488 176.117 -0.004 0.000 1.033 78 I CA -0.453 60.846 61.300 -0.001 0.000 1.253 78 I CB 0.797 38.797 38.000 0.002 0.000 1.396 78 I HN 0.466 nan 8.210 nan 0.000 0.476 79 L N 6.789 128.011 121.223 -0.003 0.000 2.319 79 L HA 0.412 4.753 4.340 0.002 0.000 0.281 79 L C -0.137 176.739 176.870 0.010 0.000 1.005 79 L CA -0.533 54.299 54.840 -0.013 0.000 0.828 79 L CB 1.808 43.844 42.059 -0.037 0.000 1.227 79 L HN 0.639 nan 8.230 nan 0.000 0.415 80 C N 2.056 121.362 119.300 0.010 0.000 2.520 80 C HA 0.154 4.615 4.460 0.002 0.000 0.376 80 C C 1.681 176.700 174.990 0.048 0.000 1.268 80 C CA -0.265 58.778 59.018 0.041 0.000 2.414 80 C CB 0.627 28.386 27.740 0.033 0.000 2.521 80 C HN 0.860 nan 8.230 nan 0.000 0.618 81 Y N 2.049 122.340 120.300 -0.014 0.000 2.133 81 Y HA -0.089 4.462 4.550 0.002 0.000 0.287 81 Y C 2.409 178.280 175.900 -0.048 0.000 1.134 81 Y CA 2.673 60.761 58.100 -0.020 0.000 1.133 81 Y CB -0.481 37.974 38.460 -0.008 0.000 0.987 81 Y HN 0.862 nan 8.280 nan 0.000 0.502 82 C N 0.935 120.355 119.300 0.200 0.000 2.581 82 C HA -0.178 4.283 4.460 0.002 0.000 0.287 82 C C 2.522 177.506 174.990 -0.009 0.000 1.241 82 C CA 1.336 60.413 59.018 0.098 0.000 1.747 82 C CB -1.290 26.496 27.740 0.077 0.000 2.090 82 C HN 0.492 nan 8.230 nan 0.000 0.460 83 K N 1.165 121.560 120.400 -0.008 0.000 1.978 83 K HA -0.127 4.194 4.320 0.002 0.000 0.214 83 K C 0.668 177.232 176.600 -0.060 0.000 1.049 83 K CA 1.516 57.786 56.287 -0.029 0.000 0.939 83 K CB -0.504 31.986 32.500 -0.016 0.000 0.721 83 K HN 0.572 nan 8.250 nan 0.000 0.441 84 D N 0.967 121.326 120.400 -0.069 0.000 3.085 84 D HA 0.119 4.760 4.640 0.002 0.000 0.243 84 D C 0.813 177.017 176.300 -0.159 0.000 1.232 84 D CA 0.050 53.995 54.000 -0.092 0.000 0.913 84 D CB 0.574 41.332 40.800 -0.069 0.000 1.108 84 D HN 0.210 nan 8.370 nan 0.000 0.468 85 A N 1.298 124.001 122.820 -0.197 0.000 1.858 85 A HA -0.223 4.099 4.320 0.002 0.000 0.216 85 A C 2.099 179.485 177.584 -0.329 0.000 1.190 85 A CA 1.144 52.980 52.037 -0.335 0.000 0.617 85 A CB -0.073 18.747 19.000 -0.299 0.000 0.827 85 A HN 0.163 nan 8.150 nan 0.000 0.443 86 K N -0.317 119.958 120.400 -0.209 0.000 2.217 86 K HA -0.069 4.252 4.320 0.002 0.000 0.202 86 K C 1.685 178.222 176.600 -0.104 0.000 1.051 86 K CA 1.212 57.411 56.287 -0.146 0.000 0.952 86 K CB -0.094 32.352 32.500 -0.089 0.000 0.736 86 K HN 0.644 nan 8.250 nan 0.000 0.453 87 E N 0.751 120.872 120.200 -0.131 0.000 2.274 87 E HA -0.080 4.271 4.350 0.002 0.000 0.194 87 E C 1.799 178.231 176.600 -0.280 0.000 0.996 87 E CA 0.447 56.747 56.400 -0.167 0.000 0.840 87 E CB 0.078 29.699 29.700 -0.131 0.000 0.772 87 E HN 0.193 nan 8.360 nan 0.000 0.491 88 I N 0.298 120.757 120.570 -0.186 0.000 2.202 88 I HA -0.213 3.958 4.170 0.002 0.000 0.242 88 I C 1.563 177.645 176.117 -0.059 0.000 1.091 88 I CA 1.410 62.632 61.300 -0.131 0.000 1.368 88 I CB -0.753 37.237 38.000 -0.016 0.000 1.058 88 I HN 0.133 nan 8.210 nan 0.000 0.410 89 Y N -0.046 120.125 120.300 -0.215 0.000 2.462 89 Y HA 0.062 4.613 4.550 0.002 0.000 0.293 89 Y C 0.049 175.977 175.900 0.048 0.000 1.195 89 Y CA -1.188 56.870 58.100 -0.069 0.000 1.276 89 Y CB -1.263 37.164 38.460 -0.055 0.000 1.082 89 Y HN 0.098 nan 8.280 nan 0.000 0.514 90 Y N -0.382 119.979 120.300 0.102 0.000 3.108 90 Y HA -0.294 4.257 4.550 0.002 0.000 0.208 90 Y C -0.010 175.919 175.900 0.050 0.000 1.245 90 Y CA 0.469 58.599 58.100 0.051 0.000 1.171 90 Y CB -1.491 36.984 38.460 0.025 0.000 1.331 90 Y HN 0.160 nan 8.280 nan 0.000 0.534 91 D N 0.459 120.948 120.400 0.148 0.000 2.427 91 D HA 0.621 5.262 4.640 0.002 0.000 0.226 91 D C -0.671 175.664 176.300 0.058 0.000 1.076 91 D CA -0.244 53.815 54.000 0.099 0.000 0.849 91 D CB 0.679 41.526 40.800 0.079 0.000 1.052 91 D HN -0.013 nan 8.370 nan 0.000 0.515 92 V N 2.314 122.264 119.914 0.060 0.000 3.001 92 V HA 0.545 4.666 4.120 0.002 0.000 0.314 92 V C 0.055 176.168 176.094 0.031 0.000 1.099 92 V CA -1.067 61.256 62.300 0.039 0.000 0.989 92 V CB 2.033 33.883 31.823 0.045 0.000 1.040 92 V HN 0.355 nan 8.190 nan 0.000 0.434 93 E N 1.480 121.693 120.200 0.020 0.000 2.248 93 E HA 0.651 5.003 4.350 0.002 0.000 0.272 93 E C -2.122 174.487 176.600 0.016 0.000 1.008 93 E CA -1.185 55.225 56.400 0.016 0.000 0.856 93 E CB 0.567 30.273 29.700 0.011 0.000 1.120 93 E HN 0.636 nan 8.360 nan 0.000 0.397 326 D N 2.828 123.230 120.400 0.003 0.000 2.352 326 D HA 0.172 4.813 4.640 0.002 0.000 0.232 326 D C 1.550 177.852 176.300 0.002 0.000 1.055 326 D CA 0.930 54.933 54.000 0.005 0.000 0.891 326 D CB 0.558 41.362 40.800 0.007 0.000 0.897 326 D HN 0.395 nan 8.370 nan 0.000 0.529 327 A N 0.472 123.291 122.820 -0.001 0.000 1.898 327 A HA -0.034 4.288 4.320 0.002 0.000 0.214 327 A C 2.071 179.650 177.584 -0.007 0.000 1.183 327 A CA 0.407 52.441 52.037 -0.005 0.000 0.622 327 A CB -0.439 18.558 19.000 -0.005 0.000 0.824 327 A HN 0.193 nan 8.150 nan 0.000 0.444 328 L N 0.483 121.702 121.223 -0.006 0.000 2.622 328 L HA -0.034 4.307 4.340 0.002 0.000 0.233 328 L C 1.716 178.583 176.870 -0.006 0.000 1.156 328 L CA 1.336 56.172 54.840 -0.008 0.000 0.866 328 L CB -0.082 41.974 42.059 -0.005 0.000 0.980 328 L HN 0.677 nan 8.230 nan 0.000 0.448 329 T N -7.837 106.717 114.554 -0.001 0.000 3.046 329 T HA 0.069 4.420 4.350 0.002 0.000 0.270 329 T C 1.488 176.191 174.700 0.006 0.000 0.920 329 T CA -0.438 61.666 62.100 0.007 0.000 0.874 329 T CB 0.086 68.968 68.868 0.023 0.000 1.214 329 T HN -0.038 nan 8.240 nan 0.000 0.536 330 K N 1.255 121.655 120.400 0.000 0.000 2.360 330 K HA -0.040 4.281 4.320 0.002 0.000 0.201 330 K C 1.599 178.189 176.600 -0.017 0.000 1.046 330 K CA 1.076 57.362 56.287 -0.001 0.000 0.945 330 K CB -0.046 32.453 32.500 -0.002 0.000 0.750 330 K HN 0.214 nan 8.250 nan 0.000 0.464 331 D N 0.674 121.056 120.400 -0.031 0.000 2.103 331 D HA -0.127 4.514 4.640 0.002 0.000 0.199 331 D C 1.921 178.161 176.300 -0.100 0.000 0.978 331 D CA 1.009 54.975 54.000 -0.057 0.000 0.829 331 D CB 0.195 40.961 40.800 -0.056 0.000 0.981 331 D HN 0.082 nan 8.370 nan 0.000 0.464 332 Q N 0.559 120.299 119.800 -0.099 0.000 1.967 332 Q HA -0.211 4.130 4.340 0.002 0.000 0.210 332 Q C 2.402 178.318 176.000 -0.140 0.000 1.005 332 Q CA 1.370 57.068 55.803 -0.176 0.000 0.862 332 Q CB -0.520 28.211 28.738 -0.012 0.000 0.939 332 Q HN 0.285 nan 8.270 nan 0.000 0.417 333 R N 0.482 121.003 120.500 0.035 0.000 2.154 333 R HA -0.239 4.102 4.340 0.002 0.000 0.236 333 R C 2.389 178.716 176.300 0.044 0.000 1.121 333 R CA 1.992 58.153 56.100 0.100 0.000 0.915 333 R CB -0.946 29.395 30.300 0.067 0.000 0.856 333 R HN 0.418 nan 8.270 nan 0.000 0.431 334 A N 1.078 123.894 122.820 -0.005 0.000 1.940 334 A HA -0.251 4.070 4.320 0.002 0.000 0.221 334 A C 2.078 179.637 177.584 -0.042 0.000 1.190 334 A CA 1.945 53.971 52.037 -0.018 0.000 0.647 334 A CB -0.789 18.192 19.000 -0.031 0.000 0.821 334 A HN 0.343 nan 8.150 nan 0.000 0.457 335 L N -1.129 120.019 121.223 -0.125 0.000 1.961 335 L HA -0.090 4.252 4.340 0.002 0.000 0.210 335 L C 2.279 179.080 176.870 -0.116 0.000 1.072 335 L CA 2.216 56.936 54.840 -0.200 0.000 0.749 335 L CB -1.322 40.490 42.059 -0.413 0.000 0.889 335 L HN 0.401 nan 8.230 nan 0.000 0.432 336 F N 0.196 120.142 119.950 -0.008 0.000 2.161 336 F HA -0.251 4.277 4.527 0.002 0.000 0.300 336 F C 2.642 178.438 175.800 -0.006 0.000 1.089 336 F CA 1.592 59.587 58.000 -0.008 0.000 1.282 336 F CB -0.370 38.626 39.000 -0.008 0.000 1.010 336 F HN 0.185 nan 8.300 nan 0.000 0.485 337 K N 0.574 121.079 120.400 0.176 0.000 2.063 337 K HA -0.254 4.067 4.320 0.002 0.000 0.208 337 K C 1.941 178.582 176.600 0.069 0.000 1.048 337 K CA 1.755 58.101 56.287 0.098 0.000 0.928 337 K CB -0.119 32.418 32.500 0.063 0.000 0.713 337 K HN 0.345 nan 8.250 nan 0.000 0.442 338 Q N 0.032 119.862 119.800 0.051 0.000 2.079 338 Q HA -0.207 4.134 4.340 0.002 0.000 0.200 338 Q C 2.218 178.247 176.000 0.049 0.000 0.974 338 Q CA 1.590 57.414 55.803 0.034 0.000 0.840 338 Q CB -0.083 28.662 28.738 0.010 0.000 0.898 338 Q HN 0.408 nan 8.270 nan 0.000 0.430 339 Q N 0.767 120.612 119.800 0.075 0.000 2.152 339 Q HA -0.188 4.153 4.340 0.002 0.000 0.206 339 Q C 2.008 178.055 176.000 0.078 0.000 0.985 339 Q CA 1.023 56.880 55.803 0.089 0.000 0.863 339 Q CB -0.090 28.751 28.738 0.172 0.000 0.904 339 Q HN 0.432 nan 8.270 nan 0.000 0.422 340 L N 0.301 121.574 121.223 0.083 0.000 1.994 340 L HA -0.209 4.132 4.340 0.002 0.000 0.208 340 L C 2.147 179.047 176.870 0.049 0.000 1.071 340 L CA 1.407 56.281 54.840 0.057 0.000 0.745 340 L CB -0.266 41.824 42.059 0.051 0.000 0.892 340 L HN 0.268 nan 8.230 nan 0.000 0.431 341 E N 0.214 120.441 120.200 0.045 0.000 2.171 341 E HA -0.254 4.097 4.350 0.002 0.000 0.197 341 E C 2.151 178.779 176.600 0.047 0.000 0.997 341 E CA 1.624 58.047 56.400 0.039 0.000 0.810 341 E CB -0.175 29.544 29.700 0.032 0.000 0.738 341 E HN 0.634 nan 8.360 nan 0.000 0.467 342 I N 0.527 121.126 120.570 0.049 0.000 2.333 342 I HA -0.184 3.987 4.170 0.002 0.000 0.246 342 I C 2.514 178.681 176.117 0.085 0.000 1.106 342 I CA 0.715 62.047 61.300 0.055 0.000 1.411 342 I CB -0.461 37.559 38.000 0.033 0.000 1.082 342 I HN 0.034 nan 8.210 nan 0.000 0.420 343 I N 1.599 122.213 120.570 0.073 0.000 2.127 343 I HA -0.297 3.875 4.170 0.002 0.000 0.241 343 I C 3.015 179.218 176.117 0.144 0.000 1.075 343 I CA 1.498 62.863 61.300 0.108 0.000 1.334 343 I CB -0.722 37.320 38.000 0.070 0.000 1.040 343 I HN 0.171 nan 8.210 nan 0.000 0.405 344 A N 1.067 123.940 122.820 0.088 0.000 1.869 344 A HA -0.318 4.003 4.320 0.002 0.000 0.218 344 A C 2.464 180.090 177.584 0.070 0.000 1.203 344 A CA 2.416 54.492 52.037 0.066 0.000 0.638 344 A CB -0.935 18.091 19.000 0.043 0.000 0.831 344 A HN 0.381 nan 8.150 nan 0.000 0.450 345 R N -2.240 118.307 120.500 0.077 0.000 2.127 345 R HA -0.202 4.139 4.340 0.002 0.000 0.238 345 R C 2.045 178.399 176.300 0.092 0.000 1.134 345 R CA 1.948 58.090 56.100 0.069 0.000 0.975 345 R CB -0.395 29.945 30.300 0.067 0.000 0.865 345 R HN 0.725 nan 8.270 nan 0.000 0.447 346 Y N 0.325 120.629 120.300 0.006 0.000 2.337 346 Y HA 0.006 4.557 4.550 0.002 0.000 0.293 346 Y C 1.433 177.335 175.900 0.004 0.000 1.123 346 Y CA 1.101 59.204 58.100 0.005 0.000 1.201 346 Y CB 0.095 38.558 38.460 0.006 0.000 1.011 346 Y HN -0.006 nan 8.280 nan 0.000 0.545 347 L N 0.672 121.874 121.223 -0.034 0.000 2.599 347 L HA -0.014 4.327 4.340 0.002 0.000 0.230 347 L C 0.473 177.280 176.870 -0.104 0.000 1.141 347 L CA 0.410 55.183 54.840 -0.111 0.000 0.877 347 L CB -0.321 41.748 42.059 0.018 0.000 1.009 347 L HN 0.014 nan 8.230 nan 0.000 0.447 348 K N 1.221 121.575 120.400 -0.077 0.000 3.150 348 K HA -0.186 4.135 4.320 0.002 0.000 0.267 348 K C -0.241 176.342 176.600 -0.030 0.000 1.028 348 K CA 1.026 57.281 56.287 -0.054 0.000 0.753 348 K CB -1.737 30.716 32.500 -0.078 0.000 1.288 348 K HN 0.536 nan 8.250 nan 0.000 0.473 349 M N -1.229 118.365 119.600 -0.011 0.000 2.134 349 M HA 0.382 4.863 4.480 0.002 0.000 0.310 349 M C -0.441 175.862 176.300 0.004 0.000 0.966 349 M CA -0.827 54.471 55.300 -0.004 0.000 0.922 349 M CB 1.987 34.587 32.600 -0.000 0.000 1.537 349 M HN -0.094 nan 8.290 nan 0.000 0.424 350 D N 3.951 124.353 120.400 0.003 0.000 2.363 350 D HA 0.153 4.794 4.640 0.002 0.000 0.263 350 D C 0.683 176.988 176.300 0.007 0.000 1.258 350 D CA 0.045 54.049 54.000 0.006 0.000 0.907 350 D CB 0.862 41.666 40.800 0.006 0.000 1.107 350 D HN 0.847 nan 8.370 nan 0.000 0.495 351 L N 3.490 124.718 121.223 0.008 0.000 2.056 351 L HA -0.094 4.247 4.340 0.002 0.000 0.207 351 L C 1.928 178.799 176.870 0.002 0.000 1.078 351 L CA 0.996 55.839 54.840 0.006 0.000 0.749 351 L CB -0.092 41.971 42.059 0.007 0.000 0.901 351 L HN 0.332 nan 8.230 nan 0.000 0.433 352 R N -0.507 119.995 120.500 0.002 0.000 2.426 352 R HA 0.178 4.520 4.340 0.002 0.000 0.263 352 R C 1.799 178.103 176.300 0.007 0.000 0.961 352 R CA 0.290 56.389 56.100 -0.001 0.000 1.086 352 R CB 0.154 30.453 30.300 -0.003 0.000 1.186 352 R HN 0.196 nan 8.270 nan 0.000 0.537 353 A N 0.333 123.160 122.820 0.011 0.000 2.172 353 A HA -0.005 4.316 4.320 0.002 0.000 0.216 353 A C 2.041 179.642 177.584 0.028 0.000 1.154 353 A CA 1.356 53.404 52.037 0.018 0.000 0.701 353 A CB -0.387 18.622 19.000 0.014 0.000 0.789 353 A HN 0.442 nan 8.150 nan 0.000 0.465 354 G N 0.319 109.133 108.800 0.022 0.000 2.404 354 G HA2 -0.161 3.801 3.960 0.002 0.000 0.214 354 G HA3 -0.161 3.801 3.960 0.002 0.000 0.214 354 G C 0.987 175.920 174.900 0.056 0.000 1.189 354 G CA 1.127 46.247 45.100 0.033 0.000 0.789 354 G HN 0.527 nan 8.290 nan 0.000 0.533 355 D N 0.405 120.814 120.400 0.014 0.000 2.178 355 D HA 0.012 4.653 4.640 0.002 0.000 0.202 355 D C 2.379 178.737 176.300 0.096 0.000 0.974 355 D CA 0.645 54.645 54.000 -0.001 0.000 0.841 355 D CB 0.086 40.842 40.800 -0.074 0.000 0.953 355 D HN 0.246 nan 8.370 nan 0.000 0.478 356 K N 0.624 121.066 120.400 0.070 0.000 2.002 356 K HA -0.056 4.265 4.320 0.002 0.000 0.209 356 K C 2.187 178.845 176.600 0.097 0.000 1.048 356 K CA 1.264 57.595 56.287 0.073 0.000 0.930 356 K CB -0.228 32.298 32.500 0.043 0.000 0.714 356 K HN 0.115 nan 8.250 nan 0.000 0.438 357 A N 0.966 123.842 122.820 0.093 0.000 2.015 357 A HA -0.144 4.177 4.320 0.002 0.000 0.219 357 A C 1.935 179.587 177.584 0.113 0.000 1.163 357 A CA 0.924 53.009 52.037 0.081 0.000 0.646 357 A CB -0.612 18.424 19.000 0.060 0.000 0.806 357 A HN 0.391 nan 8.150 nan 0.000 0.448 358 F N 0.374 120.323 119.950 -0.002 0.000 2.051 358 F HA -0.161 4.367 4.527 0.002 0.000 0.296 358 F C 2.189 177.988 175.800 -0.001 0.000 1.122 358 F CA 2.052 60.051 58.000 -0.002 0.000 1.201 358 F CB -0.427 38.572 39.000 -0.002 0.000 0.978 358 F HN 0.020 nan 8.300 nan 0.000 0.472 359 V N 1.220 121.423 119.914 0.481 0.000 2.250 359 V HA -0.450 3.672 4.120 0.002 0.000 0.253 359 V C 2.775 178.893 176.094 0.040 0.000 1.065 359 V CA 2.247 64.705 62.300 0.263 0.000 1.039 359 V CB -1.607 30.334 31.823 0.196 0.000 0.647 359 V HN 0.612 nan 8.190 nan 0.000 0.446 360 A N 0.012 122.853 122.820 0.035 0.000 1.873 360 A HA -0.282 4.039 4.320 0.002 0.000 0.218 360 A C 2.564 180.116 177.584 -0.053 0.000 1.193 360 A CA 2.926 54.960 52.037 -0.004 0.000 0.629 360 A CB -1.042 17.963 19.000 0.009 0.000 0.826 360 A HN 0.744 nan 8.150 nan 0.000 0.447 361 S N -0.955 114.689 115.700 -0.093 0.000 2.447 361 S HA -0.156 4.315 4.470 0.002 0.000 0.233 361 S C 1.728 176.222 174.600 -0.177 0.000 1.006 361 S CA 1.316 59.441 58.200 -0.125 0.000 0.957 361 S CB -0.428 62.691 63.200 -0.136 0.000 0.773 361 S HN 0.622 nan 8.310 nan 0.000 0.507 362 Q N -0.290 119.358 119.800 -0.252 0.000 2.444 362 Q HA 0.109 4.450 4.340 0.002 0.000 0.206 362 Q C 1.389 177.322 176.000 -0.112 0.000 0.948 362 Q CA 0.597 56.254 55.803 -0.243 0.000 0.946 362 Q CB 0.120 28.635 28.738 -0.372 0.000 1.027 362 Q HN 0.580 nan 8.270 nan 0.000 0.513 363 E N -0.529 119.625 120.200 -0.076 0.000 2.201 363 E HA 0.036 4.388 4.350 0.002 0.000 0.193 363 E C 1.731 178.309 176.600 -0.037 0.000 0.957 363 E CA 0.586 56.962 56.400 -0.039 0.000 0.858 363 E CB 0.244 29.932 29.700 -0.020 0.000 0.816 363 E HN 0.014 nan 8.360 nan 0.000 0.475 364 S N 0.508 116.181 115.700 -0.045 0.000 2.383 364 S HA -0.132 4.340 4.470 0.002 0.000 0.227 364 S C 1.731 176.308 174.600 -0.039 0.000 1.026 364 S CA 0.810 58.988 58.200 -0.036 0.000 0.981 364 S CB -0.162 63.015 63.200 -0.038 0.000 0.818 364 S HN 0.287 nan 8.310 nan 0.000 0.472 365 Q N 0.568 120.332 119.800 -0.059 0.000 2.437 365 Q HA -0.005 4.336 4.340 0.002 0.000 0.210 365 Q C 1.640 177.618 176.000 -0.037 0.000 0.972 365 Q CA 0.805 56.574 55.803 -0.056 0.000 0.903 365 Q CB 0.067 28.752 28.738 -0.088 0.000 0.967 365 Q HN 0.462 nan 8.270 nan 0.000 0.486 366 K N -0.880 119.501 120.400 -0.032 0.000 2.166 366 K HA 0.054 4.375 4.320 0.002 0.000 0.201 366 K C 1.932 178.527 176.600 -0.007 0.000 1.052 366 K CA 0.662 56.939 56.287 -0.017 0.000 0.969 366 K CB 0.135 32.626 32.500 -0.015 0.000 0.761 366 K HN 0.082 nan 8.250 nan 0.000 0.459 367 A N 1.572 124.387 122.820 -0.008 0.000 1.933 367 A HA -0.116 4.206 4.320 0.002 0.000 0.218 367 A C 2.021 179.612 177.584 0.011 0.000 1.175 367 A CA 1.125 53.162 52.037 -0.000 0.000 0.628 367 A CB -0.494 18.505 19.000 -0.003 0.000 0.814 367 A HN 0.102 nan 8.150 nan 0.000 0.444 368 L N -1.292 119.935 121.223 0.008 0.000 1.961 368 L HA -0.217 4.125 4.340 0.002 0.000 0.209 368 L C 2.848 179.738 176.870 0.033 0.000 1.075 368 L CA 1.988 56.841 54.840 0.021 0.000 0.749 368 L CB -1.011 41.051 42.059 0.005 0.000 0.890 368 L HN 0.484 nan 8.230 nan 0.000 0.433 369 Q N 0.295 120.106 119.800 0.018 0.000 2.268 369 Q HA -0.228 4.113 4.340 0.002 0.000 0.210 369 Q C 1.973 177.992 176.000 0.032 0.000 0.988 369 Q CA 2.066 57.882 55.803 0.023 0.000 0.883 369 Q CB -0.200 28.543 28.738 0.008 0.000 0.911 369 Q HN 0.474 nan 8.270 nan 0.000 0.430 370 A N 0.177 123.011 122.820 0.024 0.000 1.835 370 A HA -0.292 4.029 4.320 0.002 0.000 0.215 370 A C 2.071 179.674 177.584 0.032 0.000 1.199 370 A CA 1.808 53.857 52.037 0.019 0.000 0.615 370 A CB -1.023 17.982 19.000 0.008 0.000 0.838 370 A HN 0.624 nan 8.150 nan 0.000 0.444 371 Q N -0.590 119.239 119.800 0.047 0.000 2.061 371 Q HA -0.149 4.193 4.340 0.002 0.000 0.204 371 Q C 1.975 178.079 176.000 0.174 0.000 0.984 371 Q CA 1.836 57.682 55.803 0.073 0.000 0.846 371 Q CB -0.340 28.460 28.738 0.103 0.000 0.902 371 Q HN 0.611 nan 8.270 nan 0.000 0.421 372 L N 0.534 121.878 121.223 0.202 0.000 2.353 372 L HA -0.160 4.181 4.340 0.002 0.000 0.220 372 L C 1.036 178.025 176.870 0.199 0.000 1.133 372 L CA 1.343 56.338 54.840 0.258 0.000 0.798 372 L CB -0.087 42.046 42.059 0.124 0.000 0.922 372 L HN 0.237 nan 8.230 nan 0.000 0.445 373 D N -0.783 119.686 120.400 0.116 0.000 2.323 373 D HA -0.088 4.554 4.640 0.002 0.000 0.209 373 D C 1.897 178.236 176.300 0.064 0.000 0.973 373 D CA 0.591 54.639 54.000 0.078 0.000 0.874 373 D CB 0.327 41.152 40.800 0.041 0.000 0.930 373 D HN 0.320 nan 8.370 nan 0.000 0.521 374 L N -0.710 120.535 121.223 0.037 0.000 2.007 374 L HA -0.032 4.309 4.340 0.002 0.000 0.205 374 L C 1.883 178.744 176.870 -0.014 0.000 1.073 374 L CA 1.600 56.403 54.840 -0.061 0.000 0.744 374 L CB -0.762 41.174 42.059 -0.204 0.000 0.898 374 L HN 0.012 nan 8.230 nan 0.000 0.435 375 W N 0.024 121.353 121.300 0.047 0.000 2.304 375 W HA -0.266 4.395 4.660 0.002 0.000 0.315 375 W C 2.649 179.235 176.519 0.111 0.000 1.233 375 W CA 1.317 58.709 57.345 0.078 0.000 1.261 375 W CB -0.548 28.904 29.460 -0.014 0.000 1.150 375 W HN 0.225 nan 8.180 nan 0.000 0.494 376 Q N -0.442 119.534 119.800 0.293 0.000 2.234 376 Q HA -0.134 4.207 4.340 0.002 0.000 0.206 376 Q C 2.173 178.254 176.000 0.135 0.000 0.980 376 Q CA 1.752 57.665 55.803 0.184 0.000 0.869 376 Q CB -0.710 28.101 28.738 0.122 0.000 0.912 376 Q HN 0.435 nan 8.270 nan 0.000 0.436 377 A N 0.097 122.977 122.820 0.101 0.000 2.063 377 A HA -0.006 4.316 4.320 0.002 0.000 0.211 377 A C 1.714 179.295 177.584 -0.005 0.000 1.177 377 A CA 0.265 52.323 52.037 0.035 0.000 0.759 377 A CB 0.227 19.230 19.000 0.004 0.000 0.857 377 A HN 0.090 nan 8.150 nan 0.000 0.468 378 E N -0.677 119.524 120.200 0.001 0.000 2.481 378 E HA -0.021 4.330 4.350 0.002 0.000 0.195 378 E C 0.581 176.932 176.600 -0.414 0.000 1.047 378 E CA 0.782 57.072 56.400 -0.182 0.000 0.867 378 E CB 0.046 29.611 29.700 -0.226 0.000 0.858 378 E HN 0.838 nan 8.360 nan 0.000 0.513 379 H N -1.431 117.587 119.070 -0.086 0.000 3.207 379 H HA 0.309 4.866 4.556 0.002 0.000 0.237 379 H C 0.770 176.062 175.328 -0.060 0.000 0.959 379 H CA 0.487 56.420 56.048 -0.191 0.000 1.091 379 H CB 1.091 30.686 29.762 -0.278 0.000 1.447 379 H HN 0.180 nan 8.280 nan 0.000 0.477 380 G N 0.983 109.861 108.800 0.129 0.000 2.814 380 G HA2 -0.255 3.707 3.960 0.002 0.000 0.677 380 G HA3 -0.255 3.707 3.960 0.002 0.000 0.677 380 G C -0.067 174.922 174.900 0.149 0.000 1.429 380 G CA 0.057 45.222 45.100 0.109 0.000 0.868 380 G HN 0.248 nan 8.290 nan 0.000 0.553 381 D N -0.133 120.330 120.400 0.105 0.000 2.084 381 D HA -0.098 4.544 4.640 0.002 0.000 0.196 381 D C 2.724 179.083 176.300 0.098 0.000 0.985 381 D CA 1.668 55.722 54.000 0.089 0.000 0.826 381 D CB -0.110 40.722 40.800 0.054 0.000 0.978 381 D HN 0.542 nan 8.370 nan 0.000 0.456 382 I N 0.002 120.630 120.570 0.096 0.000 2.264 382 I HA -0.282 3.889 4.170 0.002 0.000 0.248 382 I C 2.470 178.644 176.117 0.095 0.000 1.111 382 I CA 1.037 62.382 61.300 0.075 0.000 1.382 382 I CB -0.557 37.484 38.000 0.068 0.000 1.060 382 I HN -0.007 nan 8.210 nan 0.000 0.418 383 Y N 2.129 122.450 120.300 0.035 0.000 2.133 383 Y HA -0.236 4.315 4.550 0.002 0.000 0.287 383 Y C 2.748 178.652 175.900 0.006 0.000 1.134 383 Y CA 1.728 59.852 58.100 0.041 0.000 1.133 383 Y CB -0.315 38.209 38.460 0.108 0.000 0.987 383 Y HN 0.090 nan 8.280 nan 0.000 0.502 384 A N 0.919 123.910 122.820 0.285 0.000 1.884 384 A HA -0.314 4.007 4.320 0.002 0.000 0.219 384 A C 2.422 179.992 177.584 -0.024 0.000 1.197 384 A CA 2.702 54.817 52.037 0.130 0.000 0.637 384 A CB -1.758 17.305 19.000 0.105 0.000 0.827 384 A HN 0.685 nan 8.150 nan 0.000 0.450 385 A N -0.899 121.910 122.820 -0.018 0.000 1.908 385 A HA 0.092 4.413 4.320 0.002 0.000 0.218 385 A C 2.337 179.856 177.584 -0.108 0.000 1.181 385 A CA 1.971 53.974 52.037 -0.056 0.000 0.627 385 A CB -1.361 17.620 19.000 -0.032 0.000 0.818 385 A HN 0.983 nan 8.150 nan 0.000 0.445 386 G N -0.273 108.442 108.800 -0.142 0.000 2.776 386 G HA2 0.131 4.092 3.960 0.002 0.000 0.209 386 G HA3 0.131 4.092 3.960 0.002 0.000 0.209 386 G C 1.174 175.910 174.900 -0.273 0.000 1.145 386 G CA 0.862 45.846 45.100 -0.193 0.000 0.791 386 G HN 0.865 nan 8.290 nan 0.000 0.530 387 I N -2.903 117.490 120.570 -0.295 0.000 4.082 387 I HA 0.381 4.553 4.170 0.002 0.000 0.337 387 I C -0.195 175.789 176.117 -0.223 0.000 1.352 387 I CA -0.299 60.818 61.300 -0.305 0.000 1.097 387 I CB 0.315 38.093 38.000 -0.368 0.000 1.048 387 I HN -0.112 nan 8.210 nan 0.000 0.393 388 E N 4.255 124.344 120.200 -0.185 0.000 2.417 388 E HA 0.183 4.534 4.350 0.002 0.000 0.261 388 E C -2.127 174.381 176.600 -0.154 0.000 1.000 388 E CA -1.705 54.603 56.400 -0.153 0.000 0.919 388 E CB 0.055 29.680 29.700 -0.125 0.000 0.955 388 E HN 0.235 nan 8.360 nan 0.000 0.455 389 P HA -0.077 nan 4.420 nan 0.000 0.268 389 P C -0.364 176.873 177.300 -0.106 0.000 1.208 389 P CA 0.375 63.403 63.100 -0.120 0.000 0.777 389 P CB 0.778 32.425 31.700 -0.088 0.000 0.875 390 A N 1.829 124.601 122.820 -0.081 0.000 2.533 390 A HA 0.168 4.489 4.320 0.002 0.000 0.180 390 A C 0.093 177.658 177.584 -0.030 0.000 1.566 390 A CA -0.036 51.957 52.037 -0.073 0.000 1.153 390 A CB -0.447 18.507 19.000 -0.077 0.000 1.462 390 A HN 0.466 nan 8.150 nan 0.000 0.523 391 F N 1.949 121.842 119.950 -0.094 0.000 2.495 391 F HA 0.520 5.049 4.527 0.002 0.000 0.365 391 F C -0.515 175.204 175.800 -0.136 0.000 1.090 391 F CA -0.311 57.652 58.000 -0.061 0.000 1.235 391 F CB 0.605 39.633 39.000 0.047 0.000 1.119 391 F HN 0.106 nan 8.300 nan 0.000 0.562 392 D N 8.144 127.883 120.400 -1.102 0.000 2.478 392 D HA 0.324 4.965 4.640 0.002 0.000 0.240 392 D C -2.195 173.480 176.300 -1.041 0.000 1.364 392 D CA -2.029 51.403 54.000 -0.947 0.000 0.987 392 D CB 1.930 42.417 40.800 -0.521 0.000 1.328 392 D HN 0.143 nan 8.370 nan 0.000 0.584 393 P HA -0.152 nan 4.420 nan 0.000 0.218 393 P C 1.319 178.307 177.300 -0.520 0.000 1.150 393 P CA 1.116 63.702 63.100 -0.857 0.000 0.841 393 P CB 0.192 31.598 31.700 -0.490 0.000 0.784 394 L N -1.920 119.055 121.223 -0.414 0.000 2.478 394 L HA -0.006 4.335 4.340 0.002 0.000 0.223 394 L C 1.883 178.584 176.870 -0.283 0.000 1.140 394 L CA 1.098 55.770 54.840 -0.279 0.000 0.842 394 L CB -0.608 41.316 42.059 -0.224 0.000 0.953 394 L HN -0.008 nan 8.230 nan 0.000 0.452 395 K N 0.714 120.881 120.400 -0.390 0.000 2.352 395 K HA 0.216 4.537 4.320 0.002 0.000 0.194 395 K C 0.976 177.452 176.600 -0.206 0.000 1.038 395 K CA 0.014 56.056 56.287 -0.407 0.000 1.023 395 K CB 0.319 32.361 32.500 -0.763 0.000 0.840 395 K HN 0.154 nan 8.250 nan 0.000 0.519 396 A N 2.629 125.306 122.820 -0.239 0.000 2.553 396 A HA -0.027 4.294 4.320 0.002 0.000 0.258 396 A C -0.330 177.217 177.584 -0.062 0.000 1.069 396 A CA 0.435 52.397 52.037 -0.125 0.000 0.767 396 A CB -0.036 18.837 19.000 -0.210 0.000 0.997 396 A HN 0.195 nan 8.150 nan 0.000 0.512 397 R N 2.167 122.621 120.500 -0.076 0.000 2.393 397 R HA 0.536 4.878 4.340 0.002 0.000 0.310 397 R C -1.325 174.715 176.300 -0.433 0.000 0.968 397 R CA -0.726 55.272 56.100 -0.170 0.000 0.867 397 R CB 1.897 32.144 30.300 -0.088 0.000 1.124 397 R HN 0.408 nan 8.270 nan 0.000 0.450 398 V N 4.453 124.189 119.914 -0.296 0.000 2.384 398 V HA 0.317 4.438 4.120 0.002 0.000 0.287 398 V C -1.182 174.852 176.094 -0.099 0.000 1.020 398 V CA -0.732 61.407 62.300 -0.269 0.000 0.850 398 V CB 1.171 32.943 31.823 -0.085 0.000 0.987 398 V HN 0.543 nan 8.190 nan 0.000 0.436 399 Y N 3.830 124.002 120.300 -0.214 0.000 2.345 399 Y HA 0.537 5.089 4.550 0.002 0.000 0.331 399 Y C 0.428 175.940 175.900 -0.647 0.000 0.959 399 Y CA -2.083 55.787 58.100 -0.383 0.000 1.204 399 Y CB 1.317 39.473 38.460 -0.506 0.000 1.135 399 Y HN 0.847 nan 8.280 nan 0.000 0.477 400 D N -1.575 118.783 120.400 -0.069 0.000 2.497 400 D HA -0.007 4.634 4.640 0.002 0.000 0.256 400 D C -0.035 176.439 176.300 0.291 0.000 1.273 400 D CA -0.009 54.060 54.000 0.115 0.000 0.812 400 D CB -0.464 40.407 40.800 0.119 0.000 1.190 400 D HN 0.192 nan 8.370 nan 0.000 0.524 401 S N 0.442 116.269 115.700 0.211 0.000 3.697 401 S HA 0.194 4.665 4.470 0.002 0.000 0.207 401 S C 1.501 175.806 174.600 -0.491 0.000 1.459 401 S CA 0.093 58.101 58.200 -0.320 0.000 1.122 401 S CB -0.245 62.478 63.200 -0.794 0.000 1.311 401 S HN 0.254 nan 8.310 nan 0.000 0.487 402 S N 2.427 118.147 115.700 0.034 0.000 2.365 402 S HA -0.223 4.248 4.470 0.002 0.000 0.225 402 S C 1.958 176.483 174.600 -0.126 0.000 1.039 402 S CA 1.031 59.240 58.200 0.016 0.000 1.033 402 S CB -1.284 61.978 63.200 0.103 0.000 0.887 402 S HN 0.939 nan 8.310 nan 0.000 0.447 403 W N 2.761 124.021 121.300 -0.067 0.000 2.301 403 W HA -0.210 4.452 4.660 0.002 0.000 0.325 403 W C 2.148 178.571 176.519 -0.160 0.000 1.250 403 W CA 1.298 58.591 57.345 -0.086 0.000 1.261 403 W CB -1.646 27.770 29.460 -0.074 0.000 1.157 403 W HN 0.435 nan 8.180 nan 0.000 0.473 404 N N 0.536 118.600 118.700 -1.059 0.000 2.166 404 N HA -0.190 4.551 4.740 0.002 0.000 0.186 404 N C 1.735 176.913 175.510 -0.553 0.000 1.019 404 N CA 2.143 54.603 53.050 -0.983 0.000 0.856 404 N CB -0.784 36.603 38.487 -1.833 0.000 0.993 404 N HN 0.353 nan 8.380 nan 0.000 0.426 405 W N 1.315 122.437 121.300 -0.297 0.000 2.363 405 W HA -0.019 4.642 4.660 0.002 0.000 0.296 405 W C 2.661 179.121 176.519 -0.099 0.000 1.212 405 W CA 0.320 57.553 57.345 -0.187 0.000 1.260 405 W CB -0.255 29.081 29.460 -0.207 0.000 1.131 405 W HN 0.104 nan 8.180 nan 0.000 0.530 406 A N 1.712 124.600 122.820 0.113 0.000 1.859 406 A HA -0.267 4.054 4.320 0.002 0.000 0.217 406 A C 1.895 179.571 177.584 0.154 0.000 1.198 406 A CA 2.205 54.312 52.037 0.116 0.000 0.629 406 A CB -1.030 18.037 19.000 0.112 0.000 0.830 406 A HN 0.335 nan 8.150 nan 0.000 0.446 407 R N -0.544 120.040 120.500 0.140 0.000 2.170 407 R HA -0.206 4.135 4.340 0.002 0.000 0.242 407 R C 2.451 178.906 176.300 0.258 0.000 1.145 407 R CA 1.641 57.872 56.100 0.217 0.000 0.984 407 R CB -0.373 29.794 30.300 -0.221 0.000 0.869 407 R HN 0.842 nan 8.270 nan 0.000 0.455 408 Q N 1.055 120.945 119.800 0.151 0.000 1.994 408 Q HA -0.163 4.178 4.340 0.002 0.000 0.198 408 Q C 1.114 177.201 176.000 0.146 0.000 0.976 408 Q CA 1.819 57.716 55.803 0.158 0.000 0.828 408 Q CB 0.130 28.988 28.738 0.201 0.000 0.894 408 Q HN 0.205 nan 8.270 nan 0.000 0.432 409 D N 0.644 121.119 120.400 0.126 0.000 2.144 409 D HA -0.135 4.506 4.640 0.002 0.000 0.199 409 D C 1.694 178.052 176.300 0.097 0.000 0.984 409 D CA 1.257 55.306 54.000 0.081 0.000 0.834 409 D CB -0.419 40.412 40.800 0.052 0.000 0.955 409 D HN 0.431 nan 8.370 nan 0.000 0.465 410 A N 1.200 124.099 122.820 0.132 0.000 1.834 410 A HA -0.156 4.165 4.320 0.002 0.000 0.216 410 A C 2.252 179.891 177.584 0.092 0.000 1.203 410 A CA 1.353 53.461 52.037 0.118 0.000 0.621 410 A CB -1.156 17.949 19.000 0.175 0.000 0.841 410 A HN 0.290 nan 8.150 nan 0.000 0.446 411 L N -0.417 120.875 121.223 0.115 0.000 2.261 411 L HA -0.138 4.203 4.340 0.002 0.000 0.216 411 L C 2.610 179.604 176.870 0.206 0.000 1.114 411 L CA 1.775 56.635 54.840 0.034 0.000 0.777 411 L CB -0.147 41.975 42.059 0.105 0.000 0.910 411 L HN 0.463 nan 8.230 nan 0.000 0.440 412 S N -0.673 115.130 115.700 0.172 0.000 2.371 412 S HA -0.215 4.256 4.470 0.002 0.000 0.224 412 S C 1.995 176.702 174.600 0.177 0.000 1.029 412 S CA 1.465 59.761 58.200 0.161 0.000 0.978 412 S CB -0.178 63.069 63.200 0.078 0.000 0.833 412 S HN 0.559 nan 8.310 nan 0.000 0.466 413 M N -0.246 119.433 119.600 0.133 0.000 2.200 413 M HA -0.057 4.424 4.480 0.002 0.000 0.265 413 M C 1.884 178.256 176.300 0.120 0.000 1.066 413 M CA 1.541 56.900 55.300 0.099 0.000 1.127 413 M CB -0.408 32.226 32.600 0.057 0.000 1.379 413 M HN 0.616 nan 8.290 nan 0.000 0.420 414 Y N 0.267 120.546 120.300 -0.035 0.000 2.069 414 Y HA -0.371 4.180 4.550 0.002 0.000 0.278 414 Y C 1.626 177.445 175.900 -0.136 0.000 1.175 414 Y CA 2.305 60.320 58.100 -0.141 0.000 1.134 414 Y CB -0.651 37.650 38.460 -0.267 0.000 0.965 414 Y HN 0.240 nan 8.280 nan 0.000 0.498 415 Y N 0.501 121.062 120.300 0.436 0.000 2.421 415 Y HA -0.191 4.360 4.550 0.002 0.000 0.292 415 Y C 2.199 178.275 175.900 0.294 0.000 1.136 415 Y CA 1.087 59.420 58.100 0.389 0.000 1.255 415 Y CB -0.311 38.368 38.460 0.364 0.000 0.991 415 Y HN 0.250 nan 8.280 nan 0.000 0.552 416 D N 0.200 120.766 120.400 0.276 0.000 2.117 416 D HA -0.156 4.485 4.640 0.002 0.000 0.198 416 D C 2.176 178.538 176.300 0.103 0.000 0.982 416 D CA 1.233 55.330 54.000 0.162 0.000 0.828 416 D CB -0.250 40.599 40.800 0.082 0.000 0.967 416 D HN 0.309 nan 8.370 nan 0.000 0.464 417 I N 1.017 121.589 120.570 0.003 0.000 2.142 417 I HA -0.226 3.945 4.170 0.002 0.000 0.240 417 I C 2.293 178.326 176.117 -0.141 0.000 1.078 417 I CA 0.762 62.010 61.300 -0.086 0.000 1.343 417 I CB -0.062 37.836 38.000 -0.169 0.000 1.046 417 I HN -0.028 nan 8.210 nan 0.000 0.405 418 I N -0.407 120.010 120.570 -0.256 0.000 2.530 418 I HA -0.280 3.892 4.170 0.002 0.000 0.257 418 I C 1.770 177.639 176.117 -0.414 0.000 1.179 418 I CA 1.608 62.614 61.300 -0.491 0.000 1.440 418 I CB -0.406 37.127 38.000 -0.777 0.000 1.087 418 I HN 0.186 nan 8.210 nan 0.000 0.440 419 F N 0.327 120.219 119.950 -0.096 0.000 2.731 419 F HA 0.282 4.810 4.527 0.002 0.000 0.298 419 F C 1.774 177.557 175.800 -0.029 0.000 1.106 419 F CA 0.590 58.571 58.000 -0.032 0.000 1.329 419 F CB 0.391 39.399 39.000 0.013 0.000 1.100 419 F HN 0.141 nan 8.300 nan 0.000 0.592 420 G N 0.842 109.702 108.800 0.100 0.000 2.149 420 G HA2 -0.317 3.644 3.960 0.002 0.000 0.235 420 G HA3 -0.317 3.644 3.960 0.002 0.000 0.235 420 G C 1.107 176.043 174.900 0.059 0.000 1.018 420 G CA 0.222 45.351 45.100 0.049 0.000 0.728 420 G HN 0.351 nan 8.290 nan 0.000 0.508 421 R N -1.006 119.540 120.500 0.076 0.000 2.189 421 R HA 0.298 4.639 4.340 0.002 0.000 0.218 421 R C 1.017 177.327 176.300 0.017 0.000 1.074 421 R CA 0.714 56.838 56.100 0.040 0.000 0.991 421 R CB 0.166 30.485 30.300 0.032 0.000 0.883 421 R HN 0.445 nan 8.270 nan 0.000 0.457 422 L N 1.327 122.559 121.223 0.014 0.000 2.356 422 L HA 0.432 4.773 4.340 0.002 0.000 0.277 422 L C -0.449 176.413 176.870 -0.013 0.000 0.996 422 L CA -0.744 54.094 54.840 -0.003 0.000 0.822 422 L CB 2.024 44.078 42.059 -0.007 0.000 1.256 422 L HN 0.004 nan 8.230 nan 0.000 0.413 423 R N 1.695 122.186 120.500 -0.015 0.000 2.720 423 R HA 0.383 4.724 4.340 0.002 0.000 0.272 423 R C 0.751 177.038 176.300 -0.022 0.000 0.991 423 R CA -0.886 55.203 56.100 -0.020 0.000 1.010 423 R CB 1.713 32.004 30.300 -0.015 0.000 1.141 423 R HN 0.374 nan 8.270 nan 0.000 0.494 424 V N 1.034 120.933 119.914 -0.025 0.000 3.078 424 V HA -0.158 3.963 4.120 0.002 0.000 0.265 424 V C 2.022 178.104 176.094 -0.020 0.000 1.122 424 V CA 0.923 63.209 62.300 -0.025 0.000 1.141 424 V CB -0.882 30.925 31.823 -0.026 0.000 0.735 424 V HN 0.594 nan 8.190 nan 0.000 0.498 425 V N 0.074 119.977 119.914 -0.019 0.000 2.220 425 V HA -0.217 3.904 4.120 0.002 0.000 0.242 425 V C 0.827 176.910 176.094 -0.018 0.000 1.041 425 V CA 1.321 63.611 62.300 -0.017 0.000 0.990 425 V CB -0.813 31.000 31.823 -0.016 0.000 0.634 425 V HN 0.552 nan 8.190 nan 0.000 0.452 426 D N 1.197 121.586 120.400 -0.017 0.000 2.982 426 D HA -0.110 4.531 4.640 0.002 0.000 0.222 426 D C 1.306 177.595 176.300 -0.019 0.000 1.124 426 D CA 0.345 54.334 54.000 -0.018 0.000 0.810 426 D CB 0.158 40.948 40.800 -0.017 0.000 1.152 426 D HN 0.198 nan 8.370 nan 0.000 0.538 427 R N 2.347 122.836 120.500 -0.018 0.000 2.200 427 R HA -0.152 4.190 4.340 0.002 0.000 0.234 427 R C 1.602 177.888 176.300 -0.025 0.000 1.127 427 R CA 0.620 56.708 56.100 -0.020 0.000 0.989 427 R CB 0.015 30.305 30.300 -0.017 0.000 0.869 427 R HN 0.524 nan 8.270 nan 0.000 0.459 428 E N 0.865 121.051 120.200 -0.023 0.000 2.033 428 E HA -0.187 4.164 4.350 0.002 0.000 0.199 428 E C 2.085 178.670 176.600 -0.025 0.000 1.011 428 E CA 1.104 57.489 56.400 -0.025 0.000 0.815 428 E CB -0.299 29.387 29.700 -0.023 0.000 0.755 428 E HN 0.335 nan 8.360 nan 0.000 0.451 429 I N 0.781 121.339 120.570 -0.021 0.000 2.236 429 I HA -0.311 3.860 4.170 0.002 0.000 0.249 429 I C 2.420 178.525 176.117 -0.021 0.000 1.102 429 I CA 0.944 62.232 61.300 -0.020 0.000 1.365 429 I CB -0.504 37.484 38.000 -0.021 0.000 1.051 429 I HN -0.018 nan 8.210 nan 0.000 0.420 430 V N 0.164 120.064 119.914 -0.024 0.000 2.223 430 V HA -0.275 3.846 4.120 0.002 0.000 0.244 430 V C 2.510 178.586 176.094 -0.031 0.000 1.045 430 V CA 2.175 64.458 62.300 -0.027 0.000 1.000 430 V CB -0.823 30.981 31.823 -0.031 0.000 0.635 430 V HN 0.361 nan 8.190 nan 0.000 0.445 431 S N -0.397 115.281 115.700 -0.037 0.000 2.380 431 S HA -0.368 4.103 4.470 0.002 0.000 0.229 431 S C 2.009 176.591 174.600 -0.031 0.000 1.050 431 S CA 2.252 60.428 58.200 -0.040 0.000 1.100 431 S CB -0.529 62.645 63.200 -0.043 0.000 0.984 431 S HN 0.664 nan 8.310 nan 0.000 0.434 432 Q N -0.300 119.484 119.800 -0.027 0.000 2.077 432 Q HA -0.201 4.140 4.340 0.002 0.000 0.206 432 Q C 2.561 178.555 176.000 -0.010 0.000 0.989 432 Q CA 1.669 57.460 55.803 -0.019 0.000 0.853 432 Q CB -0.664 28.066 28.738 -0.014 0.000 0.907 432 Q HN 0.559 nan 8.270 nan 0.000 0.418 433 C N 0.513 119.808 119.300 -0.009 0.000 2.403 433 C HA -0.157 4.304 4.460 0.002 0.000 0.277 433 C C 2.633 177.622 174.990 -0.003 0.000 1.248 433 C CA 0.625 59.642 59.018 -0.003 0.000 1.762 433 C CB -0.996 26.740 27.740 -0.007 0.000 2.014 433 C HN 0.454 nan 8.230 nan 0.000 0.486 434 I N -0.125 120.438 120.570 -0.012 0.000 2.286 434 I HA -0.220 3.951 4.170 0.002 0.000 0.248 434 I C 2.593 178.708 176.117 -0.003 0.000 1.115 434 I CA 1.347 62.640 61.300 -0.012 0.000 1.392 434 I CB -0.698 37.287 38.000 -0.025 0.000 1.065 434 I HN 0.281 nan 8.210 nan 0.000 0.418 435 Q N 1.044 120.840 119.800 -0.007 0.000 2.050 435 Q HA -0.093 4.249 4.340 0.002 0.000 0.202 435 Q C 2.220 178.224 176.000 0.007 0.000 0.980 435 Q CA 1.611 57.410 55.803 -0.007 0.000 0.840 435 Q CB -0.290 28.433 28.738 -0.024 0.000 0.898 435 Q HN 0.509 nan 8.270 nan 0.000 0.424 436 I N -0.234 120.346 120.570 0.016 0.000 2.264 436 I HA -0.310 3.861 4.170 0.002 0.000 0.248 436 I C 2.044 178.185 176.117 0.039 0.000 1.111 436 I CA 1.185 62.507 61.300 0.037 0.000 1.382 436 I CB -0.469 37.557 38.000 0.043 0.000 1.060 436 I HN 0.295 nan 8.210 nan 0.000 0.418 437 M N 0.147 119.763 119.600 0.027 0.000 2.175 437 M HA -0.146 4.335 4.480 0.002 0.000 0.264 437 M C 1.848 178.165 176.300 0.029 0.000 1.063 437 M CA 1.434 56.750 55.300 0.027 0.000 1.119 437 M CB -0.693 31.917 32.600 0.016 0.000 1.377 437 M HN 0.230 nan 8.290 nan 0.000 0.415 438 N N 1.364 120.078 118.700 0.024 0.000 2.289 438 N HA -0.081 4.660 4.740 0.002 0.000 0.184 438 N C 0.237 175.768 175.510 0.035 0.000 1.016 438 N CA 0.971 54.036 53.050 0.026 0.000 0.872 438 N CB -0.028 38.470 38.487 0.019 0.000 0.973 438 N HN 0.423 nan 8.380 nan 0.000 0.433 439 R N 0.037 120.562 120.500 0.041 0.000 3.301 439 R HA 0.333 4.674 4.340 0.002 0.000 0.286 439 R C -0.561 175.783 176.300 0.074 0.000 1.386 439 R CA -0.187 55.949 56.100 0.061 0.000 1.607 439 R CB 0.611 30.948 30.300 0.063 0.000 1.305 439 R HN -0.176 nan 8.270 nan 0.000 0.637 440 S N 1.771 117.510 115.700 0.064 0.000 2.416 440 S HA 0.256 4.727 4.470 0.002 0.000 0.287 440 S C -0.259 174.382 174.600 0.068 0.000 1.139 440 S CA -0.457 57.781 58.200 0.065 0.000 1.058 440 S CB 0.170 63.400 63.200 0.049 0.000 0.967 440 S HN 0.358 nan 8.310 nan 0.000 0.495 441 N N 3.551 122.299 118.700 0.080 0.000 2.335 441 N HA 0.432 5.173 4.740 0.002 0.000 0.304 441 N C -1.970 173.577 175.510 0.062 0.000 1.135 441 N CA -2.022 51.069 53.050 0.070 0.000 0.817 441 N CB 1.439 39.975 38.487 0.083 0.000 1.294 441 N HN 0.112 nan 8.380 nan 0.000 0.497 442 P HA -0.084 nan 4.420 nan 0.000 0.215 442 P C 1.045 178.373 177.300 0.047 0.000 1.153 442 P CA 1.205 64.328 63.100 0.038 0.000 0.853 442 P CB 0.314 32.027 31.700 0.021 0.000 0.788 443 L N -1.685 119.561 121.223 0.038 0.000 2.201 443 L HA -0.088 4.253 4.340 0.002 0.000 0.212 443 L C 2.559 179.489 176.870 0.100 0.000 1.105 443 L CA 1.262 56.124 54.840 0.038 0.000 0.775 443 L CB -1.430 40.628 42.059 -0.003 0.000 0.913 443 L HN -0.068 nan 8.230 nan 0.000 0.440 444 L N -0.556 120.741 121.223 0.123 0.000 2.017 444 L HA -0.220 4.121 4.340 0.002 0.000 0.208 444 L C 2.513 179.502 176.870 0.199 0.000 1.073 444 L CA 1.506 56.462 54.840 0.193 0.000 0.745 444 L CB -0.133 42.022 42.059 0.161 0.000 0.894 444 L HN 0.265 nan 8.230 nan 0.000 0.432 445 L N -0.310 120.990 121.223 0.127 0.000 2.013 445 L HA -0.289 4.052 4.340 0.002 0.000 0.212 445 L C 2.537 179.473 176.870 0.111 0.000 1.073 445 L CA 1.715 56.616 54.840 0.102 0.000 0.753 445 L CB -0.734 41.367 42.059 0.070 0.000 0.890 445 L HN 0.337 nan 8.230 nan 0.000 0.432 446 E N -0.253 120.014 120.200 0.111 0.000 2.049 446 E HA -0.294 4.057 4.350 0.002 0.000 0.198 446 E C 2.072 178.773 176.600 0.169 0.000 1.007 446 E CA 1.804 58.269 56.400 0.108 0.000 0.809 446 E CB -0.364 29.374 29.700 0.063 0.000 0.749 446 E HN 0.376 nan 8.360 nan 0.000 0.450 447 F N 1.478 121.461 119.950 0.055 0.000 2.171 447 F HA -0.194 4.334 4.527 0.002 0.000 0.300 447 F C 2.118 178.052 175.800 0.223 0.000 1.090 447 F CA 1.268 59.339 58.000 0.119 0.000 1.293 447 F CB -0.099 38.953 39.000 0.085 0.000 1.013 447 F HN -0.053 nan 8.300 nan 0.000 0.486 448 M N -0.167 119.463 119.600 0.051 0.000 2.084 448 M HA -0.280 4.201 4.480 0.002 0.000 0.259 448 M C 2.345 178.652 176.300 0.012 0.000 1.072 448 M CA 1.970 57.252 55.300 -0.030 0.000 1.107 448 M CB -1.381 31.247 32.600 0.048 0.000 1.299 448 M HN 0.200 nan 8.290 nan 0.000 0.413 449 Q N -0.725 119.110 119.800 0.058 0.000 2.061 449 Q HA -0.239 4.102 4.340 0.002 0.000 0.204 449 Q C 1.974 178.013 176.000 0.065 0.000 0.984 449 Q CA 2.157 57.997 55.803 0.061 0.000 0.846 449 Q CB -0.423 28.354 28.738 0.065 0.000 0.902 449 Q HN 0.493 nan 8.270 nan 0.000 0.421 450 Y N 0.246 120.511 120.300 -0.059 0.000 2.069 450 Y HA -0.366 4.185 4.550 0.002 0.000 0.278 450 Y C 2.134 177.908 175.900 -0.208 0.000 1.175 450 Y CA 2.137 60.136 58.100 -0.167 0.000 1.134 450 Y CB -0.189 38.077 38.460 -0.324 0.000 0.965 450 Y HN 0.295 nan 8.280 nan 0.000 0.498 451 H N -1.199 117.880 119.070 0.015 0.000 2.457 451 H HA -0.115 4.442 4.556 0.002 0.000 0.294 451 H C 2.126 177.455 175.328 0.002 0.000 1.064 451 H CA 1.609 57.593 56.048 -0.107 0.000 1.330 451 H CB 0.058 29.587 29.762 -0.389 0.000 1.395 451 H HN 0.408 nan 8.280 nan 0.000 0.541 452 I N 1.022 121.663 120.570 0.118 0.000 2.400 452 I HA -0.150 4.022 4.170 0.002 0.000 0.248 452 I C 1.662 177.814 176.117 0.058 0.000 1.109 452 I CA 0.889 62.262 61.300 0.121 0.000 1.425 452 I CB -0.118 37.925 38.000 0.073 0.000 1.094 452 I HN -0.012 nan 8.210 nan 0.000 0.425 453 D N -0.090 120.322 120.400 0.021 0.000 2.087 453 D HA -0.205 4.436 4.640 0.002 0.000 0.192 453 D C 1.819 178.086 176.300 -0.054 0.000 0.993 453 D CA 1.681 55.675 54.000 -0.009 0.000 0.828 453 D CB -0.645 40.171 40.800 0.028 0.000 0.968 453 D HN 0.506 nan 8.370 nan 0.000 0.448 454 H N -0.653 118.236 119.070 -0.302 0.000 2.543 454 H HA 0.115 4.672 4.556 0.002 0.000 0.269 454 H C 0.494 175.765 175.328 -0.095 0.000 1.005 454 H CA -0.527 55.364 56.048 -0.263 0.000 1.146 454 H CB -0.181 29.291 29.762 -0.484 0.000 1.353 454 H HN 0.087 nan 8.280 nan 0.000 0.595 455 C N 4.155 123.515 119.300 0.100 0.000 2.592 455 C HA 0.055 4.516 4.460 0.002 0.000 0.408 455 C C -1.896 173.146 174.990 0.086 0.000 1.436 455 C CA -1.322 57.802 59.018 0.177 0.000 1.595 455 C CB -0.431 27.415 27.740 0.177 0.000 2.487 455 C HN 0.248 nan 8.230 nan 0.000 0.610 456 P HA 0.195 nan 4.420 nan 0.000 0.279 456 P C 0.612 177.819 177.300 -0.155 0.000 1.318 456 P CA 0.148 63.191 63.100 -0.094 0.000 0.819 456 P CB 0.671 32.247 31.700 -0.207 0.000 0.927 457 T N -0.899 113.601 114.554 -0.090 0.000 3.057 457 T HA -0.069 4.282 4.350 0.002 0.000 0.254 457 T C 0.890 175.529 174.700 -0.102 0.000 1.094 457 T CA 0.203 62.274 62.100 -0.049 0.000 1.088 457 T CB -0.222 68.629 68.868 -0.027 0.000 0.934 457 T HN 0.350 nan 8.240 nan 0.000 0.497 458 E N 2.112 122.224 120.200 -0.146 0.000 2.545 458 E HA 0.138 4.489 4.350 0.002 0.000 0.271 458 E C 0.713 177.198 176.600 -0.192 0.000 1.508 458 E CA -0.148 56.169 56.400 -0.137 0.000 1.774 458 E CB -0.107 29.522 29.700 -0.118 0.000 1.460 458 E HN 0.514 nan 8.360 nan 0.000 0.449 459 R N -0.704 119.655 120.500 -0.235 0.000 2.716 459 R HA 0.274 4.615 4.340 0.002 0.000 0.186 459 R C 0.625 176.876 176.300 -0.082 0.000 0.830 459 R CA 0.591 56.532 56.100 -0.265 0.000 1.059 459 R CB 1.141 31.037 30.300 -0.672 0.000 1.531 459 R HN 0.245 nan 8.270 nan 0.000 0.633 460 G N 0.016 108.835 108.800 0.031 0.000 2.646 460 G HA2 0.219 4.181 3.960 0.002 0.000 0.291 460 G HA3 0.219 4.181 3.960 0.002 0.000 0.291 460 G C -0.423 174.527 174.900 0.083 0.000 1.445 460 G CA -0.547 44.614 45.100 0.101 0.000 0.814 460 G HN -0.012 nan 8.290 nan 0.000 0.495 461 E N -0.396 119.823 120.200 0.032 0.000 2.153 461 E HA -0.156 4.195 4.350 0.002 0.000 0.194 461 E C 2.573 179.167 176.600 -0.010 0.000 0.988 461 E CA 1.853 58.256 56.400 0.005 0.000 0.811 461 E CB -0.041 29.654 29.700 -0.008 0.000 0.746 461 E HN 0.604 nan 8.360 nan 0.000 0.466 462 T N -0.939 113.600 114.554 -0.025 0.000 2.777 462 T HA -0.204 4.148 4.350 0.002 0.000 0.266 462 T C 1.796 176.397 174.700 -0.165 0.000 1.040 462 T CA 0.970 63.002 62.100 -0.113 0.000 1.141 462 T CB -0.668 68.092 68.868 -0.181 0.000 0.868 462 T HN 0.155 nan 8.240 nan 0.000 0.444 463 Y N 1.752 121.955 120.300 -0.161 0.000 2.207 463 Y HA -0.112 4.439 4.550 0.002 0.000 0.287 463 Y C 3.067 178.867 175.900 -0.167 0.000 1.156 463 Y CA 1.592 59.578 58.100 -0.190 0.000 1.182 463 Y CB -0.474 37.904 38.460 -0.137 0.000 0.979 463 Y HN 0.240 nan 8.280 nan 0.000 0.521 464 Q N 0.066 119.889 119.800 0.039 0.000 1.990 464 Q HA -0.175 4.166 4.340 0.002 0.000 0.200 464 Q C 2.169 178.138 176.000 -0.052 0.000 0.980 464 Q CA 1.460 57.257 55.803 -0.011 0.000 0.832 464 Q CB -0.624 28.109 28.738 -0.009 0.000 0.897 464 Q HN 0.416 nan 8.270 nan 0.000 0.427 465 L N 0.303 121.488 121.223 -0.063 0.000 2.129 465 L HA -0.149 4.192 4.340 0.002 0.000 0.212 465 L C 1.852 178.656 176.870 -0.110 0.000 1.087 465 L CA 2.285 57.080 54.840 -0.076 0.000 0.757 465 L CB -1.179 40.835 42.059 -0.075 0.000 0.896 465 L HN 0.291 nan 8.230 nan 0.000 0.434 466 A N -0.238 122.480 122.820 -0.170 0.000 1.825 466 A HA -0.238 4.083 4.320 0.002 0.000 0.214 466 A C 2.411 179.894 177.584 -0.168 0.000 1.206 466 A CA 1.699 53.589 52.037 -0.245 0.000 0.609 466 A CB -0.790 17.924 19.000 -0.478 0.000 0.851 466 A HN 0.467 nan 8.150 nan 0.000 0.445 467 K N -0.012 120.305 120.400 -0.138 0.000 2.144 467 K HA -0.282 4.039 4.320 0.002 0.000 0.209 467 K C 2.011 178.584 176.600 -0.046 0.000 1.047 467 K CA 2.142 58.391 56.287 -0.065 0.000 0.927 467 K CB -0.191 32.290 32.500 -0.032 0.000 0.716 467 K HN 0.676 nan 8.250 nan 0.000 0.454 468 E N 0.499 120.669 120.200 -0.050 0.000 2.001 468 E HA -0.202 4.149 4.350 0.002 0.000 0.195 468 E C 2.080 178.658 176.600 -0.035 0.000 1.002 468 E CA 1.493 57.871 56.400 -0.037 0.000 0.819 468 E CB -0.205 29.473 29.700 -0.036 0.000 0.769 468 E HN 0.354 nan 8.360 nan 0.000 0.454 469 L N 0.620 121.815 121.223 -0.046 0.000 2.137 469 L HA -0.190 4.151 4.340 0.002 0.000 0.213 469 L C 2.564 179.417 176.870 -0.030 0.000 1.085 469 L CA 1.222 56.038 54.840 -0.039 0.000 0.760 469 L CB -0.772 41.256 42.059 -0.051 0.000 0.893 469 L HN 0.383 nan 8.230 nan 0.000 0.434 470 G N -0.783 107.996 108.800 -0.035 0.000 2.484 470 G HA2 -0.341 3.620 3.960 0.002 0.000 0.215 470 G HA3 -0.341 3.620 3.960 0.002 0.000 0.215 470 G C 1.459 176.360 174.900 0.000 0.000 1.219 470 G CA 0.740 45.833 45.100 -0.012 0.000 0.791 470 G HN 0.262 nan 8.290 nan 0.000 0.550 471 Q N 0.221 120.019 119.800 -0.003 0.000 2.096 471 Q HA -0.146 4.195 4.340 0.002 0.000 0.204 471 Q C 2.515 178.516 176.000 0.001 0.000 0.982 471 Q CA 2.148 57.952 55.803 0.002 0.000 0.850 471 Q CB -0.578 28.158 28.738 -0.003 0.000 0.901 471 Q HN 0.692 nan 8.270 nan 0.000 0.422 472 Q N -0.646 119.151 119.800 -0.005 0.000 2.045 472 Q HA -0.229 4.113 4.340 0.002 0.000 0.206 472 Q C 2.006 178.007 176.000 0.001 0.000 0.991 472 Q CA 1.955 57.755 55.803 -0.004 0.000 0.851 472 Q CB -0.365 28.367 28.738 -0.010 0.000 0.911 472 Q HN 0.476 nan 8.270 nan 0.000 0.418 473 L N 0.805 122.030 121.223 0.002 0.000 2.017 473 L HA -0.157 4.185 4.340 0.002 0.000 0.208 473 L C 2.263 179.143 176.870 0.016 0.000 1.073 473 L CA 1.560 56.405 54.840 0.008 0.000 0.745 473 L CB -0.451 41.614 42.059 0.010 0.000 0.894 473 L HN 0.332 nan 8.230 nan 0.000 0.432 474 I N -0.511 120.071 120.570 0.019 0.000 2.248 474 I HA -0.266 3.906 4.170 0.002 0.000 0.248 474 I C 2.362 178.493 176.117 0.023 0.000 1.107 474 I CA 1.097 62.413 61.300 0.027 0.000 1.373 474 I CB -0.561 37.455 38.000 0.028 0.000 1.055 474 I HN 0.358 nan 8.210 nan 0.000 0.418 475 E N 0.780 120.989 120.200 0.016 0.000 2.046 475 E HA -0.141 4.210 4.350 0.002 0.000 0.190 475 E C 1.890 178.498 176.600 0.013 0.000 0.982 475 E CA 0.828 57.236 56.400 0.013 0.000 0.800 475 E CB -0.484 29.221 29.700 0.008 0.000 0.756 475 E HN 0.474 nan 8.360 nan 0.000 0.449 476 N N 1.111 119.818 118.700 0.011 0.000 2.021 476 N HA -0.170 4.571 4.740 0.002 0.000 0.198 476 N C 2.074 177.594 175.510 0.015 0.000 1.041 476 N CA 1.629 54.685 53.050 0.010 0.000 0.862 476 N CB -0.870 37.621 38.487 0.007 0.000 1.048 476 N HN 0.199 nan 8.380 nan 0.000 0.427 477 C N 1.184 120.497 119.300 0.021 0.000 2.403 477 C HA -0.070 4.391 4.460 0.002 0.000 0.279 477 C C 2.428 177.435 174.990 0.028 0.000 1.269 477 C CA 0.285 59.320 59.018 0.029 0.000 1.774 477 C CB -0.860 26.903 27.740 0.039 0.000 1.993 477 C HN 0.483 nan 8.230 nan 0.000 0.496 478 K N 1.203 121.618 120.400 0.025 0.000 2.057 478 K HA -0.163 4.159 4.320 0.002 0.000 0.207 478 K C 1.863 178.475 176.600 0.020 0.000 1.049 478 K CA 1.667 57.968 56.287 0.024 0.000 0.931 478 K CB -0.306 32.206 32.500 0.021 0.000 0.714 478 K HN 0.752 nan 8.250 nan 0.000 0.440 479 E N 0.571 120.781 120.200 0.016 0.000 2.494 479 E HA -0.027 4.324 4.350 0.002 0.000 0.193 479 E C 1.004 177.612 176.600 0.013 0.000 1.074 479 E CA 0.355 56.762 56.400 0.013 0.000 0.867 479 E CB 0.311 30.017 29.700 0.009 0.000 0.924 479 E HN 0.007 nan 8.360 nan 0.000 0.502 480 V N 0.582 120.506 119.914 0.016 0.000 3.635 480 V HA 0.101 4.222 4.120 0.002 0.000 0.266 480 V C 1.013 177.120 176.094 0.021 0.000 1.316 480 V CA -0.290 62.020 62.300 0.017 0.000 1.060 480 V CB -0.078 31.756 31.823 0.017 0.000 0.820 480 V HN 0.250 nan 8.190 nan 0.000 0.447 481 L N 2.481 123.719 121.223 0.024 0.000 2.737 481 L HA 0.193 4.534 4.340 0.002 0.000 0.279 481 L C 1.575 178.459 176.870 0.024 0.000 1.200 481 L CA 1.562 56.419 54.840 0.027 0.000 0.952 481 L CB -0.532 41.543 42.059 0.027 0.000 1.240 481 L HN 0.506 nan 8.230 nan 0.000 0.486 482 G N 2.526 111.342 108.800 0.027 0.000 2.454 482 G HA2 -0.281 3.681 3.960 0.002 0.000 0.225 482 G HA3 -0.281 3.681 3.960 0.002 0.000 0.225 482 G C 0.400 175.313 174.900 0.022 0.000 1.138 482 G CA -0.186 44.928 45.100 0.024 0.000 0.667 482 G HN 0.543 nan 8.290 nan 0.000 0.512 483 K N 2.517 122.928 120.400 0.019 0.000 2.419 483 K HA 0.348 4.669 4.320 0.002 0.000 0.282 483 K C -2.194 174.416 176.600 0.016 0.000 1.056 483 K CA -1.069 55.227 56.287 0.015 0.000 1.035 483 K CB 0.426 32.932 32.500 0.011 0.000 0.921 483 K HN 0.175 nan 8.250 nan 0.000 0.472 484 P HA -0.107 nan 4.420 nan 0.000 0.266 484 P C -2.420 174.889 177.300 0.015 0.000 1.162 484 P CA -0.416 62.693 63.100 0.015 0.000 0.758 484 P CB -0.173 31.531 31.700 0.007 0.000 0.774 485 P HA 0.274 nan 4.420 nan 0.000 0.277 485 P C -0.827 176.492 177.300 0.032 0.000 1.240 485 P CA -0.064 63.055 63.100 0.032 0.000 0.798 485 P CB 0.775 32.503 31.700 0.046 0.000 0.979 486 V N 2.341 122.275 119.914 0.033 0.000 2.789 486 V HA 0.251 4.373 4.120 0.002 0.000 0.311 486 V C -1.198 174.950 176.094 0.090 0.000 1.073 486 V CA -0.783 61.536 62.300 0.032 0.000 0.921 486 V CB 1.928 33.739 31.823 -0.021 0.000 1.009 486 V HN 0.424 nan 8.190 nan 0.000 0.426 487 Y N 5.459 125.764 120.300 0.008 0.000 2.436 487 Y HA 0.529 5.081 4.550 0.002 0.000 0.343 487 Y C -0.112 175.778 175.900 -0.018 0.000 1.008 487 Y CA -0.482 57.634 58.100 0.026 0.000 1.241 487 Y CB 0.387 38.926 38.460 0.132 0.000 1.153 487 Y HN 0.570 nan 8.280 nan 0.000 0.521 488 K N 5.863 126.056 120.400 -0.345 0.000 2.545 488 K HA 0.183 4.505 4.320 0.002 0.000 0.252 488 K C -1.589 174.695 176.600 -0.526 0.000 0.948 488 K CA -0.701 55.268 56.287 -0.530 0.000 0.827 488 K CB 0.869 33.209 32.500 -0.267 0.000 1.128 488 K HN 0.681 nan 8.250 nan 0.000 0.429 489 D N 3.439 123.339 120.400 -0.833 0.000 2.317 489 D HA 0.116 4.757 4.640 0.002 0.000 0.252 489 D C 0.342 176.222 176.300 -0.700 0.000 1.174 489 D CA -0.071 53.448 54.000 -0.801 0.000 0.866 489 D CB 1.535 41.515 40.800 -1.366 0.000 1.127 489 D HN 0.259 nan 8.370 nan 0.000 0.467 490 V N 2.341 122.021 119.914 -0.389 0.000 3.477 490 V HA 0.011 4.133 4.120 0.002 0.000 0.297 490 V C 1.005 177.058 176.094 -0.068 0.000 1.433 490 V CA -0.147 62.042 62.300 -0.185 0.000 1.052 490 V CB -0.115 31.635 31.823 -0.121 0.000 0.895 490 V HN 0.539 nan 8.190 nan 0.000 0.438 491 S N 0.702 116.359 115.700 -0.071 0.000 2.606 491 S HA 0.419 4.891 4.470 0.002 0.000 0.257 491 S C -0.039 174.661 174.600 0.167 0.000 1.327 491 S CA -0.233 58.002 58.200 0.060 0.000 0.984 491 S CB 0.749 63.998 63.200 0.082 0.000 0.941 491 S HN 0.247 nan 8.310 nan 0.000 0.576 492 I N 2.169 122.793 120.570 0.089 0.000 2.322 492 I HA 0.254 4.425 4.170 0.002 0.000 0.292 492 I C -2.267 173.857 176.117 0.010 0.000 1.060 492 I CA -2.230 59.095 61.300 0.041 0.000 1.309 492 I CB 0.415 38.410 38.000 -0.008 0.000 1.415 492 I HN 0.394 nan 8.210 nan 0.000 0.492 493 P HA -0.036 nan 4.420 nan 0.000 0.261 493 P C -0.252 176.961 177.300 -0.144 0.000 1.183 493 P CA 0.318 63.275 63.100 -0.239 0.000 0.761 493 P CB 0.481 31.952 31.700 -0.381 0.000 0.785 494 T N 1.604 116.084 114.554 -0.123 0.000 2.907 494 T HA 0.754 5.105 4.350 0.002 0.000 0.292 494 T C -0.136 174.509 174.700 -0.092 0.000 1.043 494 T CA -0.617 61.430 62.100 -0.089 0.000 1.003 494 T CB 1.201 70.035 68.868 -0.058 0.000 1.084 494 T HN 0.326 nan 8.240 nan 0.000 0.483 495 G N 2.147 110.895 108.800 -0.087 0.000 2.788 495 G HA2 0.770 4.731 3.960 0.002 0.000 0.293 495 G HA3 0.770 4.731 3.960 0.002 0.000 0.293 495 G C -3.151 171.711 174.900 -0.062 0.000 1.305 495 G CA -1.747 43.305 45.100 -0.081 0.000 1.005 495 G HN 0.630 nan 8.290 nan 0.000 0.496 496 P HA 0.292 nan 4.420 nan 0.000 0.292 496 P C -1.070 176.242 177.300 0.020 0.000 1.287 496 P CA -0.274 62.884 63.100 0.097 0.000 0.800 496 P CB 1.524 33.331 31.700 0.179 0.000 0.945 497 Q N 2.083 121.836 119.800 -0.078 0.000 2.533 497 Q HA 0.270 4.611 4.340 0.002 0.000 0.251 497 Q C -0.923 175.090 176.000 0.022 0.000 0.966 497 Q CA -0.364 55.413 55.803 -0.042 0.000 0.714 497 Q CB 1.097 29.776 28.738 -0.098 0.000 1.284 497 Q HN 0.512 nan 8.270 nan 0.000 0.478 498 T N 0.229 114.875 114.554 0.153 0.000 2.771 498 T HA 0.517 4.868 4.350 0.002 0.000 0.291 498 T C 0.141 174.895 174.700 0.090 0.000 0.954 498 T CA -0.362 61.849 62.100 0.185 0.000 1.045 498 T CB 1.347 70.338 68.868 0.206 0.000 0.917 498 T HN 0.468 nan 8.240 nan 0.000 0.484 499 T N 1.879 116.478 114.554 0.076 0.000 2.861 499 T HA 0.643 4.995 4.350 0.002 0.000 0.287 499 T C -0.536 174.192 174.700 0.047 0.000 1.003 499 T CA -0.997 61.130 62.100 0.046 0.000 0.977 499 T CB 0.919 69.802 68.868 0.025 0.000 0.996 499 T HN 0.694 nan 8.240 nan 0.000 0.448 500 I N 3.079 123.671 120.570 0.038 0.000 2.339 500 I HA 0.289 4.461 4.170 0.002 0.000 0.290 500 I C 0.275 176.408 176.117 0.027 0.000 0.994 500 I CA -0.760 60.561 61.300 0.035 0.000 1.191 500 I CB 1.540 39.560 38.000 0.034 0.000 1.343 500 I HN 0.775 nan 8.210 nan 0.000 0.458 501 D N 4.143 124.559 120.400 0.026 0.000 2.364 501 D HA 0.052 4.693 4.640 0.002 0.000 0.236 501 D C 1.059 177.371 176.300 0.020 0.000 1.221 501 D CA 0.423 54.437 54.000 0.022 0.000 0.891 501 D CB 1.226 42.040 40.800 0.023 0.000 1.190 501 D HN 0.628 nan 8.370 nan 0.000 0.449 502 A N 2.691 125.521 122.820 0.018 0.000 2.015 502 A HA -0.096 4.225 4.320 0.002 0.000 0.219 502 A C 1.760 179.354 177.584 0.017 0.000 1.163 502 A CA 1.067 53.114 52.037 0.017 0.000 0.646 502 A CB -0.105 18.904 19.000 0.015 0.000 0.806 502 A HN 0.544 nan 8.150 nan 0.000 0.448 503 R N -1.281 119.230 120.500 0.019 0.000 2.568 503 R HA 0.262 4.604 4.340 0.002 0.000 0.288 503 R C 1.168 177.480 176.300 0.020 0.000 1.077 503 R CA 0.473 56.585 56.100 0.019 0.000 1.102 503 R CB -0.110 30.202 30.300 0.020 0.000 1.278 503 R HN 0.633 nan 8.270 nan 0.000 0.560 504 G N 0.622 109.434 108.800 0.021 0.000 2.253 504 G HA2 -0.286 3.675 3.960 0.002 0.000 0.251 504 G HA3 -0.286 3.675 3.960 0.002 0.000 0.251 504 G C 0.097 175.012 174.900 0.025 0.000 0.998 504 G CA -0.307 44.806 45.100 0.023 0.000 0.621 504 G HN 0.371 nan 8.290 nan 0.000 0.524 505 N N 0.986 119.702 118.700 0.026 0.000 2.454 505 N HA 0.242 4.984 4.740 0.002 0.000 0.260 505 N C 0.467 175.998 175.510 0.034 0.000 1.218 505 N CA 0.593 53.660 53.050 0.029 0.000 0.904 505 N CB 0.571 39.075 38.487 0.027 0.000 1.065 505 N HN 0.426 nan 8.380 nan 0.000 0.462 506 I N 2.236 122.830 120.570 0.040 0.000 2.331 506 I HA 0.181 4.352 4.170 0.002 0.000 0.292 506 I C 0.508 176.663 176.117 0.063 0.000 0.998 506 I CA -0.262 61.068 61.300 0.051 0.000 1.267 506 I CB 0.955 38.985 38.000 0.051 0.000 1.386 506 I HN 0.228 nan 8.210 nan 0.000 0.476 507 Q N 4.942 124.787 119.800 0.075 0.000 2.423 507 Q HA 0.435 4.776 4.340 0.002 0.000 0.278 507 Q C -1.764 174.326 176.000 0.150 0.000 1.097 507 Q CA -0.935 54.924 55.803 0.094 0.000 0.809 507 Q CB 3.635 32.406 28.738 0.055 0.000 1.391 507 Q HN 0.579 nan 8.270 nan 0.000 0.428 508 Y N 1.099 121.410 120.300 0.019 0.000 2.331 508 Y HA 0.359 4.910 4.550 0.002 0.000 0.326 508 Y C -1.188 174.721 175.900 0.015 0.000 1.020 508 Y CA -0.243 57.869 58.100 0.019 0.000 1.136 508 Y CB 1.408 39.885 38.460 0.029 0.000 1.157 508 Y HN 0.563 nan 8.280 nan 0.000 0.444 509 Q N 3.330 122.823 119.800 -0.512 0.000 2.252 509 Q HA 0.447 4.788 4.340 0.002 0.000 0.256 509 Q C -1.085 174.483 176.000 -0.720 0.000 1.020 509 Q CA -1.251 54.262 55.803 -0.483 0.000 0.913 509 Q CB 1.955 30.555 28.738 -0.229 0.000 1.286 509 Q HN 0.631 nan 8.270 nan 0.000 0.480 510 E N 1.186 121.145 120.200 -0.402 0.000 2.145 510 E HA 0.310 4.661 4.350 0.002 0.000 0.262 510 E C -1.258 175.242 176.600 -0.167 0.000 0.883 510 E CA -0.307 55.923 56.400 -0.283 0.000 0.748 510 E CB 1.744 31.345 29.700 -0.165 0.000 1.140 510 E HN 0.239 nan 8.360 nan 0.000 0.417 511 V N 3.916 123.742 119.914 -0.147 0.000 2.617 511 V HA 0.287 4.408 4.120 0.002 0.000 0.298 511 V C -2.175 173.868 176.094 -0.084 0.000 1.048 511 V CA -2.285 59.954 62.300 -0.101 0.000 0.964 511 V CB 1.152 32.921 31.823 -0.090 0.000 1.004 511 V HN 0.527 nan 8.190 nan 0.000 0.466 512 P HA 0.119 nan 4.420 nan 0.000 0.265 512 P C -0.237 177.020 177.300 -0.072 0.000 1.193 512 P CA -0.045 63.014 63.100 -0.069 0.000 0.765 512 P CB 0.330 31.994 31.700 -0.060 0.000 0.823 513 R N 2.516 122.967 120.500 -0.081 0.000 2.522 513 R HA 0.120 4.461 4.340 0.002 0.000 0.284 513 R C 1.335 177.594 176.300 -0.068 0.000 1.032 513 R CA 0.055 56.109 56.100 -0.076 0.000 1.049 513 R CB 0.289 30.540 30.300 -0.082 0.000 0.956 513 R HN 0.511 nan 8.270 nan 0.000 0.422 514 A N 2.019 124.806 122.820 -0.055 0.000 2.121 514 A HA -0.107 4.214 4.320 0.002 0.000 0.218 514 A C 1.366 178.922 177.584 -0.047 0.000 1.154 514 A CA 1.451 53.459 52.037 -0.048 0.000 0.679 514 A CB 0.061 19.039 19.000 -0.036 0.000 0.795 514 A HN 0.728 nan 8.150 nan 0.000 0.458 515 S N -2.261 113.413 115.700 -0.043 0.000 2.701 515 S HA 0.662 5.133 4.470 0.002 0.000 0.242 515 S C 0.251 174.831 174.600 -0.033 0.000 1.025 515 S CA 0.244 58.429 58.200 -0.024 0.000 1.016 515 S CB 0.211 63.415 63.200 0.008 0.000 0.977 515 S HN 0.967 nan 8.310 nan 0.000 0.546 516 A N 1.130 123.897 122.820 -0.089 0.000 2.398 516 A HA 0.828 5.150 4.320 0.002 0.000 0.301 516 A C 0.482 177.925 177.584 -0.235 0.000 1.041 516 A CA -0.706 51.249 52.037 -0.137 0.000 0.711 516 A CB 1.447 20.444 19.000 -0.004 0.000 1.240 516 A HN 0.066 nan 8.150 nan 0.000 0.420 517 R N 0.812 121.053 120.500 -0.431 0.000 2.144 517 R HA 0.264 4.605 4.340 0.002 0.000 0.195 517 R C 0.335 176.581 176.300 -0.089 0.000 1.077 517 R CA 0.786 56.726 56.100 -0.266 0.000 1.120 517 R CB -0.082 30.023 30.300 -0.326 0.000 1.060 517 R HN 0.722 nan 8.270 nan 0.000 0.520 518 K N -0.261 120.146 120.400 0.011 0.000 2.416 518 K HA 0.282 4.604 4.320 0.002 0.000 0.244 518 K C 0.943 177.689 176.600 0.243 0.000 1.044 518 K CA -0.494 55.904 56.287 0.185 0.000 0.972 518 K CB 0.601 33.234 32.500 0.222 0.000 1.286 518 K HN -0.112 nan 8.250 nan 0.000 0.500 519 F N 1.443 121.416 119.950 0.039 0.000 2.615 519 F HA -0.040 4.488 4.527 0.002 0.000 0.297 519 F C 1.927 177.832 175.800 0.174 0.000 1.124 519 F CA 0.727 58.764 58.000 0.062 0.000 1.451 519 F CB 0.352 39.213 39.000 -0.233 0.000 1.103 519 F HN 0.599 nan 8.300 nan 0.000 0.569 520 E N -0.642 119.713 120.200 0.257 0.000 2.077 520 E HA -0.249 4.102 4.350 0.002 0.000 0.193 520 E C 1.599 178.250 176.600 0.086 0.000 0.989 520 E CA 1.665 58.150 56.400 0.143 0.000 0.800 520 E CB -0.477 29.259 29.700 0.059 0.000 0.746 520 E HN 0.530 nan 8.360 nan 0.000 0.452 521 H N -0.542 118.574 119.070 0.077 0.000 2.387 521 H HA -0.177 4.381 4.556 0.002 0.000 0.299 521 H C 1.827 177.188 175.328 0.056 0.000 1.099 521 H CA 1.893 57.970 56.048 0.048 0.000 1.315 521 H CB -0.274 29.505 29.762 0.030 0.000 1.380 521 H HN 0.247 nan 8.280 nan 0.000 0.513 522 Y N 0.828 121.154 120.300 0.043 0.000 2.089 522 Y HA -0.245 4.306 4.550 0.002 0.000 0.282 522 Y C 2.381 178.320 175.900 0.066 0.000 1.139 522 Y CA 1.339 59.412 58.100 -0.046 0.000 1.123 522 Y CB -0.830 37.449 38.460 -0.302 0.000 0.980 522 Y HN -0.017 nan 8.280 nan 0.000 0.493 523 V N 1.374 121.259 119.914 -0.048 0.000 2.231 523 V HA -0.413 3.708 4.120 0.002 0.000 0.250 523 V C 2.391 178.410 176.094 -0.124 0.000 1.058 523 V CA 2.607 64.833 62.300 -0.122 0.000 1.022 523 V CB -0.773 31.103 31.823 0.089 0.000 0.640 523 V HN 0.402 nan 8.190 nan 0.000 0.445 524 K N -0.514 119.856 120.400 -0.049 0.000 1.987 524 K HA -0.281 4.040 4.320 0.002 0.000 0.216 524 K C 2.270 178.855 176.600 -0.025 0.000 1.051 524 K CA 2.090 58.355 56.287 -0.037 0.000 0.942 524 K CB -0.415 32.058 32.500 -0.045 0.000 0.722 524 K HN 0.496 nan 8.250 nan 0.000 0.444 525 Q N -0.221 119.573 119.800 -0.011 0.000 2.197 525 Q HA -0.224 4.117 4.340 0.002 0.000 0.211 525 Q C 2.184 178.223 176.000 0.066 0.000 0.993 525 Q CA 1.459 57.281 55.803 0.031 0.000 0.883 525 Q CB -0.100 28.667 28.738 0.048 0.000 0.916 525 Q HN 0.340 nan 8.270 nan 0.000 0.418 526 M N -0.408 119.172 119.600 -0.034 0.000 2.062 526 M HA -0.090 4.391 4.480 0.002 0.000 0.259 526 M C 2.382 178.760 176.300 0.129 0.000 1.076 526 M CA 1.556 56.901 55.300 0.075 0.000 1.122 526 M CB -1.495 31.007 32.600 -0.164 0.000 1.312 526 M HN 0.196 nan 8.290 nan 0.000 0.412 527 A N 0.041 122.877 122.820 0.026 0.000 2.032 527 A HA -0.211 4.110 4.320 0.002 0.000 0.221 527 A C 2.051 179.649 177.584 0.023 0.000 1.165 527 A CA 1.872 53.925 52.037 0.027 0.000 0.645 527 A CB -0.842 18.160 19.000 0.003 0.000 0.807 527 A HN 0.624 nan 8.150 nan 0.000 0.453 528 E N -1.003 119.212 120.200 0.025 0.000 2.021 528 E HA 0.141 4.493 4.350 0.002 0.000 0.200 528 E C 1.293 177.867 176.600 -0.042 0.000 1.015 528 E CA 0.906 57.313 56.400 0.011 0.000 0.824 528 E CB -0.235 29.485 29.700 0.034 0.000 0.762 528 E HN 0.798 nan 8.360 nan 0.000 0.454 529 G N -0.992 107.731 108.800 -0.128 0.000 2.352 529 G HA2 0.234 4.195 3.960 0.002 0.000 0.324 529 G HA3 0.234 4.195 3.960 0.002 0.000 0.324 529 G C -0.572 174.068 174.900 -0.433 0.000 1.249 529 G CA -0.662 44.186 45.100 -0.421 0.000 1.053 529 G HN 0.602 nan 8.290 nan 0.000 0.492 530 G N -1.380 107.149 108.800 -0.452 0.000 2.704 530 G HA2 0.738 4.699 3.960 0.002 0.000 0.293 530 G HA3 0.738 4.699 3.960 0.002 0.000 0.293 530 G C -1.748 173.072 174.900 -0.132 0.000 1.421 530 G CA -0.037 44.975 45.100 -0.145 0.000 0.870 530 G HN 0.515 nan 8.290 nan 0.000 0.492 531 P HA -0.105 nan 4.420 nan 0.000 0.215 531 P C 2.013 179.238 177.300 -0.126 0.000 1.157 531 P CA 0.414 63.474 63.100 -0.067 0.000 0.874 531 P CB 0.270 31.958 31.700 -0.020 0.000 0.790 532 I N -0.123 120.385 120.570 -0.103 0.000 2.315 532 I HA -0.181 3.990 4.170 0.002 0.000 0.251 532 I C 0.777 176.538 176.117 -0.593 0.000 1.125 532 I CA 1.361 62.559 61.300 -0.170 0.000 1.392 532 I CB -0.543 37.471 38.000 0.022 0.000 1.065 532 I HN -0.101 nan 8.210 nan 0.000 0.424 533 S N 0.944 116.251 115.700 -0.655 0.000 4.087 533 S HA 0.276 4.747 4.470 0.002 0.000 0.213 533 S C 0.033 174.331 174.600 -0.504 0.000 1.415 533 S CA -0.680 56.897 58.200 -1.038 0.000 0.893 533 S CB -0.115 62.777 63.200 -0.514 0.000 1.529 533 S HN 0.447 nan 8.310 nan 0.000 0.457 534 Q N 1.258 120.801 119.800 -0.430 0.000 2.193 534 Q HA 0.444 4.785 4.340 0.002 0.000 0.246 534 Q C -0.774 175.233 176.000 0.011 0.000 0.959 534 Q CA -0.921 54.814 55.803 -0.114 0.000 0.904 534 Q CB 0.678 29.371 28.738 -0.075 0.000 1.238 534 Q HN 0.643 nan 8.270 nan 0.000 0.469 535 Y N 0.119 120.371 120.300 -0.079 0.000 2.379 535 Y HA -0.008 4.544 4.550 0.002 0.000 0.354 535 Y C 0.252 176.151 175.900 -0.002 0.000 1.269 535 Y CA 0.283 58.361 58.100 -0.036 0.000 1.532 535 Y CB 0.650 39.078 38.460 -0.053 0.000 1.371 535 Y HN 0.526 nan 8.280 nan 0.000 0.666 536 S N 1.641 117.372 115.700 0.052 0.000 2.513 536 S HA 0.073 4.545 4.470 0.002 0.000 0.276 536 S C 0.899 175.555 174.600 0.094 0.000 1.254 536 S CA -0.856 57.373 58.200 0.048 0.000 1.053 536 S CB 0.776 63.961 63.200 -0.025 0.000 0.958 536 S HN 0.579 nan 8.310 nan 0.000 0.491 537 N N 2.260 121.000 118.700 0.066 0.000 2.247 537 N HA -0.190 4.551 4.740 0.002 0.000 0.189 537 N C 1.737 177.275 175.510 0.046 0.000 1.009 537 N CA 1.246 54.327 53.050 0.053 0.000 0.872 537 N CB -0.241 38.263 38.487 0.027 0.000 0.980 537 N HN 0.757 nan 8.380 nan 0.000 0.436 538 R N -0.169 120.349 120.500 0.030 0.000 2.100 538 R HA -0.014 4.328 4.340 0.002 0.000 0.220 538 R C 1.979 178.286 176.300 0.011 0.000 1.091 538 R CA 1.593 57.696 56.100 0.004 0.000 0.986 538 R CB -0.408 29.877 30.300 -0.026 0.000 0.888 538 R HN 0.311 nan 8.270 nan 0.000 0.444 539 T N -1.089 113.480 114.554 0.025 0.000 2.881 539 T HA -0.068 4.283 4.350 0.002 0.000 0.270 539 T C 1.764 176.508 174.700 0.073 0.000 1.068 539 T CA 1.051 63.163 62.100 0.020 0.000 1.131 539 T CB -0.108 68.727 68.868 -0.055 0.000 0.871 539 T HN 0.206 nan 8.240 nan 0.000 0.479 540 K N 0.443 120.903 120.400 0.100 0.000 2.044 540 K HA 0.078 4.399 4.320 0.002 0.000 0.204 540 K C 2.384 179.003 176.600 0.032 0.000 1.049 540 K CA 1.033 57.349 56.287 0.048 0.000 0.945 540 K CB -0.393 32.112 32.500 0.008 0.000 0.724 540 K HN 0.238 nan 8.250 nan 0.000 0.440 541 V N 2.016 121.948 119.914 0.030 0.000 2.453 541 V HA -0.292 3.829 4.120 0.002 0.000 0.252 541 V C 2.219 178.339 176.094 0.044 0.000 1.068 541 V CA 1.754 64.073 62.300 0.030 0.000 1.070 541 V CB -0.493 31.341 31.823 0.017 0.000 0.664 541 V HN 0.381 nan 8.190 nan 0.000 0.461 542 Q N -0.294 119.525 119.800 0.032 0.000 2.008 542 Q HA -0.106 4.235 4.340 0.002 0.000 0.196 542 Q C 2.194 178.233 176.000 0.065 0.000 0.973 542 Q CA 1.348 57.174 55.803 0.037 0.000 0.826 542 Q CB -0.257 28.480 28.738 -0.001 0.000 0.894 542 Q HN 0.569 nan 8.270 nan 0.000 0.439 543 N N 0.951 119.678 118.700 0.045 0.000 2.364 543 N HA -0.126 4.615 4.740 0.002 0.000 0.183 543 N C 0.861 176.403 175.510 0.054 0.000 1.022 543 N CA 1.089 54.166 53.050 0.046 0.000 0.883 543 N CB -0.111 38.394 38.487 0.029 0.000 0.965 543 N HN 0.240 nan 8.380 nan 0.000 0.438 544 D N 0.589 121.023 120.400 0.057 0.000 2.106 544 D HA 0.024 4.666 4.640 0.002 0.000 0.203 544 D C 2.173 178.528 176.300 0.092 0.000 0.977 544 D CA 0.429 54.462 54.000 0.057 0.000 0.844 544 D CB -0.458 40.367 40.800 0.043 0.000 1.002 544 D HN 0.121 nan 8.370 nan 0.000 0.461 545 L N 0.706 122.012 121.223 0.138 0.000 2.137 545 L HA -0.211 4.130 4.340 0.002 0.000 0.213 545 L C 2.557 179.544 176.870 0.194 0.000 1.085 545 L CA 1.013 55.987 54.840 0.224 0.000 0.760 545 L CB -0.349 41.930 42.059 0.368 0.000 0.893 545 L HN 0.014 nan 8.230 nan 0.000 0.434 546 R N 0.339 120.946 120.500 0.179 0.000 2.132 546 R HA -0.184 4.157 4.340 0.002 0.000 0.233 546 R C 2.480 178.842 176.300 0.103 0.000 1.125 546 R CA 2.243 58.424 56.100 0.135 0.000 0.914 546 R CB -1.046 29.313 30.300 0.098 0.000 0.845 546 R HN 0.487 nan 8.270 nan 0.000 0.431 547 S N 0.423 116.169 115.700 0.077 0.000 2.447 547 S HA -0.059 4.412 4.470 0.002 0.000 0.233 547 S C 2.227 176.846 174.600 0.030 0.000 1.006 547 S CA 1.075 59.306 58.200 0.051 0.000 0.957 547 S CB -0.461 62.756 63.200 0.027 0.000 0.773 547 S HN 0.060 nan 8.310 nan 0.000 0.507 548 V N 0.904 120.846 119.914 0.046 0.000 2.343 548 V HA -0.203 3.918 4.120 0.002 0.000 0.247 548 V C 2.123 178.203 176.094 -0.023 0.000 1.051 548 V CA 2.017 64.325 62.300 0.013 0.000 1.036 548 V CB -0.898 30.982 31.823 0.095 0.000 0.654 548 V HN 0.604 nan 8.190 nan 0.000 0.451 549 Y N 1.246 121.516 120.300 -0.050 0.000 2.133 549 Y HA -0.218 4.333 4.550 0.002 0.000 0.287 549 Y C 2.547 178.397 175.900 -0.084 0.000 1.134 549 Y CA 1.879 59.963 58.100 -0.026 0.000 1.133 549 Y CB -0.148 38.148 38.460 -0.273 0.000 0.987 549 Y HN 0.116 nan 8.280 nan 0.000 0.502 550 K N 0.155 120.657 120.400 0.169 0.000 2.281 550 K HA -0.191 4.130 4.320 0.002 0.000 0.203 550 K C 1.987 178.539 176.600 -0.080 0.000 1.046 550 K CA 1.360 57.697 56.287 0.085 0.000 0.938 550 K CB -0.168 32.386 32.500 0.091 0.000 0.737 550 K HN 0.416 nan 8.250 nan 0.000 0.458 551 L N 0.487 121.634 121.223 -0.127 0.000 2.056 551 L HA -0.084 4.258 4.340 0.002 0.000 0.202 551 L C 2.215 178.917 176.870 -0.281 0.000 1.086 551 L CA 0.948 55.685 54.840 -0.171 0.000 0.758 551 L CB -0.178 41.794 42.059 -0.145 0.000 0.912 551 L HN 0.112 nan 8.230 nan 0.000 0.446 552 I N -0.185 120.149 120.570 -0.392 0.000 2.300 552 I HA -0.363 3.808 4.170 0.002 0.000 0.252 552 I C 2.676 178.474 176.117 -0.532 0.000 1.119 552 I CA 1.089 62.075 61.300 -0.523 0.000 1.384 552 I CB -0.304 37.168 38.000 -0.881 0.000 1.062 552 I HN 0.307 nan 8.210 nan 0.000 0.426 553 R N 1.762 121.913 120.500 -0.583 0.000 2.060 553 R HA -0.001 4.340 4.340 0.002 0.000 0.225 553 R C 1.442 177.381 176.300 -0.601 0.000 1.155 553 R CA 1.489 57.232 56.100 -0.594 0.000 0.930 553 R CB -0.412 29.530 30.300 -0.596 0.000 0.829 553 R HN 0.127 nan 8.270 nan 0.000 0.433 554 R N 1.216 121.499 120.500 -0.362 0.000 4.624 554 R HA 0.068 4.409 4.340 0.002 0.000 0.214 554 R C -0.299 175.846 176.300 -0.259 0.000 2.026 554 R CA 0.318 56.261 56.100 -0.262 0.000 1.676 554 R CB -0.219 30.028 30.300 -0.089 0.000 1.291 554 R HN 0.361 nan 8.270 nan 0.000 0.739 555 Q N 0.212 119.768 119.800 -0.408 0.000 3.966 555 Q HA 0.103 4.444 4.340 0.002 0.000 0.198 555 Q C -1.289 174.559 176.000 -0.254 0.000 0.872 555 Q CA -0.275 55.382 55.803 -0.244 0.000 0.767 555 Q CB 0.916 29.540 28.738 -0.189 0.000 1.516 555 Q HN 0.384 nan 8.270 nan 0.000 0.434 556 H N 2.663 121.691 119.070 -0.070 0.000 3.157 556 H HA 0.169 4.726 4.556 0.002 0.000 0.260 556 H C 0.772 176.068 175.328 -0.053 0.000 1.232 556 H CA 0.571 56.582 56.048 -0.063 0.000 1.488 556 H CB 0.342 30.078 29.762 -0.045 0.000 1.548 556 H HN 0.535 nan 8.280 nan 0.000 0.487 557 R N 1.555 122.064 120.500 0.016 0.000 2.435 557 R HA 0.152 4.493 4.340 0.002 0.000 0.276 557 R C -0.292 175.996 176.300 -0.019 0.000 0.866 557 R CA -0.277 55.823 56.100 -0.001 0.000 1.085 557 R CB 0.473 30.763 30.300 -0.018 0.000 1.751 557 R HN 0.122 nan 8.270 nan 0.000 0.463 558 L N 3.033 124.232 121.223 -0.039 0.000 2.375 558 L HA 0.319 4.660 4.340 0.002 0.000 0.271 558 L C 0.719 177.581 176.870 -0.013 0.000 1.107 558 L CA -0.686 54.128 54.840 -0.043 0.000 0.806 558 L CB 1.390 43.399 42.059 -0.084 0.000 1.146 558 L HN 0.112 nan 8.230 nan 0.000 0.447 559 S N 0.917 116.612 115.700 -0.007 0.000 2.568 559 S HA 0.052 4.523 4.470 0.002 0.000 0.282 559 S C 0.681 175.292 174.600 0.017 0.000 1.338 559 S CA -0.515 57.689 58.200 0.007 0.000 1.045 559 S CB 0.510 63.714 63.200 0.006 0.000 0.873 559 S HN 0.620 nan 8.310 nan 0.000 0.516 560 K N 1.541 121.958 120.400 0.027 0.000 2.574 560 K HA -0.008 4.313 4.320 0.002 0.000 0.193 560 K C 1.759 178.383 176.600 0.040 0.000 1.035 560 K CA 0.625 56.936 56.287 0.040 0.000 0.982 560 K CB -0.206 32.318 32.500 0.039 0.000 0.795 560 K HN 0.569 nan 8.250 nan 0.000 0.491 561 S N 0.111 115.829 115.700 0.031 0.000 2.406 561 S HA -0.054 4.418 4.470 0.002 0.000 0.228 561 S C 1.779 176.404 174.600 0.042 0.000 1.020 561 S CA 1.048 59.267 58.200 0.033 0.000 0.965 561 S CB 0.135 63.349 63.200 0.023 0.000 0.798 561 S HN 0.258 nan 8.310 nan 0.000 0.488 562 S N 1.315 117.038 115.700 0.038 0.000 2.412 562 S HA 0.058 4.529 4.470 0.002 0.000 0.223 562 S C 1.894 176.541 174.600 0.079 0.000 1.048 562 S CA 0.195 58.423 58.200 0.046 0.000 0.954 562 S CB -0.255 62.951 63.200 0.010 0.000 0.840 562 S HN 0.443 nan 8.310 nan 0.000 0.503 563 Q N 0.897 120.729 119.800 0.054 0.000 2.084 563 Q HA -0.022 4.319 4.340 0.002 0.000 0.202 563 Q C 2.134 178.223 176.000 0.148 0.000 0.978 563 Q CA 0.926 56.775 55.803 0.076 0.000 0.844 563 Q CB -0.304 28.451 28.738 0.028 0.000 0.898 563 Q HN 0.323 nan 8.270 nan 0.000 0.426 564 L N 1.032 122.321 121.223 0.110 0.000 2.191 564 L HA -0.183 4.159 4.340 0.002 0.000 0.212 564 L C 1.908 178.845 176.870 0.113 0.000 1.103 564 L CA 1.821 56.726 54.840 0.108 0.000 0.769 564 L CB -0.476 41.629 42.059 0.075 0.000 0.908 564 L HN 0.377 nan 8.230 nan 0.000 0.438 565 Q N -1.632 118.239 119.800 0.118 0.000 2.319 565 Q HA -0.109 4.232 4.340 0.002 0.000 0.202 565 Q C 1.702 177.797 176.000 0.159 0.000 0.896 565 Q CA -0.035 55.833 55.803 0.108 0.000 0.942 565 Q CB 0.059 28.847 28.738 0.083 0.000 1.083 565 Q HN 0.448 nan 8.270 nan 0.000 0.510 566 F N 1.953 121.935 119.950 0.053 0.000 2.188 566 F HA 0.046 4.574 4.527 0.002 0.000 0.289 566 F C 1.653 177.548 175.800 0.157 0.000 1.082 566 F CA 1.542 59.579 58.000 0.062 0.000 1.282 566 F CB -0.344 38.650 39.000 -0.010 0.000 1.060 566 F HN 0.144 nan 8.300 nan 0.000 0.493 567 N N 1.293 119.944 118.700 -0.082 0.000 2.453 567 N HA -0.120 4.621 4.740 0.002 0.000 0.183 567 N C 1.927 177.445 175.510 0.014 0.000 1.041 567 N CA 1.015 54.053 53.050 -0.019 0.000 0.900 567 N CB -0.572 38.102 38.487 0.312 0.000 0.961 567 N HN 0.427 nan 8.380 nan 0.000 0.443 568 A N 2.237 125.066 122.820 0.015 0.000 1.858 568 A HA -0.022 4.300 4.320 0.002 0.000 0.216 568 A C 2.287 179.855 177.584 -0.026 0.000 1.190 568 A CA 0.886 52.926 52.037 0.006 0.000 0.617 568 A CB -0.783 18.234 19.000 0.029 0.000 0.827 568 A HN 0.193 nan 8.150 nan 0.000 0.443 569 L N -1.629 119.577 121.223 -0.028 0.000 2.551 569 L HA -0.062 4.280 4.340 0.002 0.000 0.228 569 L C 2.228 179.063 176.870 -0.058 0.000 1.153 569 L CA 0.655 55.481 54.840 -0.024 0.000 0.851 569 L CB -0.332 41.745 42.059 0.030 0.000 0.959 569 L HN 0.632 nan 8.230 nan 0.000 0.451 570 Y N 0.482 120.597 120.300 -0.308 0.000 2.266 570 Y HA -0.042 4.510 4.550 0.002 0.000 0.294 570 Y C 2.334 178.115 175.900 -0.198 0.000 1.127 570 Y CA 0.966 58.852 58.100 -0.356 0.000 1.140 570 Y CB -0.005 38.072 38.460 -0.638 0.000 1.071 570 Y HN -0.093 nan 8.280 nan 0.000 0.525 571 K N 0.263 120.465 120.400 -0.330 0.000 2.044 571 K HA -0.227 4.095 4.320 0.002 0.000 0.210 571 K C 1.709 178.162 176.600 -0.246 0.000 1.049 571 K CA 1.858 57.937 56.287 -0.347 0.000 0.927 571 K CB -0.354 32.044 32.500 -0.170 0.000 0.713 571 K HN 0.285 nan 8.250 nan 0.000 0.443 572 D N 0.365 120.674 120.400 -0.152 0.000 2.133 572 D HA -0.170 4.471 4.640 0.002 0.000 0.192 572 D C 1.821 178.051 176.300 -0.117 0.000 1.001 572 D CA 1.142 55.080 54.000 -0.103 0.000 0.844 572 D CB -0.172 40.591 40.800 -0.061 0.000 0.944 572 D HN -0.061 nan 8.370 nan 0.000 0.447 573 V N 1.107 120.940 119.914 -0.136 0.000 2.427 573 V HA -0.197 3.925 4.120 0.002 0.000 0.248 573 V C 2.392 178.392 176.094 -0.157 0.000 1.051 573 V CA 0.914 63.146 62.300 -0.113 0.000 1.048 573 V CB -0.313 31.470 31.823 -0.066 0.000 0.666 573 V HN 0.231 nan 8.190 nan 0.000 0.456 574 I N -0.037 120.374 120.570 -0.264 0.000 2.142 574 I HA -0.225 3.946 4.170 0.002 0.000 0.240 574 I C 2.606 178.613 176.117 -0.183 0.000 1.078 574 I CA 1.771 62.915 61.300 -0.259 0.000 1.343 574 I CB -1.223 36.547 38.000 -0.384 0.000 1.046 574 I HN 0.290 nan 8.210 nan 0.000 0.405 575 R N 1.111 121.513 120.500 -0.164 0.000 2.082 575 R HA -0.187 4.154 4.340 0.002 0.000 0.234 575 R C 2.485 178.717 176.300 -0.114 0.000 1.136 575 R CA 2.085 58.117 56.100 -0.113 0.000 0.935 575 R CB -0.326 29.928 30.300 -0.077 0.000 0.842 575 R HN 0.375 nan 8.270 nan 0.000 0.430 576 A N 1.129 123.890 122.820 -0.098 0.000 1.917 576 A HA -0.195 4.126 4.320 0.002 0.000 0.219 576 A C 2.245 179.771 177.584 -0.096 0.000 1.182 576 A CA 1.537 53.524 52.037 -0.082 0.000 0.633 576 A CB -0.683 18.279 19.000 -0.063 0.000 0.819 576 A HN 0.366 nan 8.150 nan 0.000 0.448 577 L N -1.220 119.939 121.223 -0.107 0.000 2.083 577 L HA -0.212 4.129 4.340 0.002 0.000 0.209 577 L C 3.095 179.876 176.870 -0.148 0.000 1.083 577 L CA 1.111 55.886 54.840 -0.107 0.000 0.752 577 L CB -0.616 41.383 42.059 -0.100 0.000 0.899 577 L HN 0.484 nan 8.230 nan 0.000 0.433 578 A N -0.103 122.598 122.820 -0.198 0.000 1.872 578 A HA -0.157 4.164 4.320 0.002 0.000 0.214 578 A C 2.264 179.622 177.584 -0.376 0.000 1.187 578 A CA 1.447 53.289 52.037 -0.324 0.000 0.614 578 A CB -0.321 18.443 19.000 -0.394 0.000 0.826 578 A HN 0.309 nan 8.150 nan 0.000 0.442 579 M N -1.343 118.095 119.600 -0.270 0.000 2.160 579 M HA 0.032 4.513 4.480 0.002 0.000 0.264 579 M C 0.787 177.012 176.300 -0.125 0.000 1.073 579 M CA 0.950 56.132 55.300 -0.198 0.000 1.142 579 M CB 0.014 32.561 32.600 -0.088 0.000 1.358 579 M HN 0.398 nan 8.290 nan 0.000 0.422 580 N N 0.960 119.602 118.700 -0.097 0.000 2.716 580 N HA 0.076 4.817 4.740 0.002 0.000 0.253 580 N C 0.030 175.501 175.510 -0.066 0.000 1.170 580 N CA 0.041 53.050 53.050 -0.069 0.000 0.807 580 N CB 1.037 39.498 38.487 -0.043 0.000 1.183 580 N HN 0.212 nan 8.380 nan 0.000 0.524 581 E N 0.656 120.811 120.200 -0.074 0.000 2.153 581 E HA -0.149 4.203 4.350 0.002 0.000 0.194 581 E C 1.644 178.222 176.600 -0.037 0.000 0.988 581 E CA 1.207 57.571 56.400 -0.060 0.000 0.811 581 E CB 0.315 29.976 29.700 -0.065 0.000 0.746 581 E HN 0.656 nan 8.360 nan 0.000 0.466 582 S N 0.005 115.687 115.700 -0.030 0.000 2.399 582 S HA -0.199 4.273 4.470 0.002 0.000 0.231 582 S C 1.883 176.475 174.600 -0.014 0.000 1.022 582 S CA 0.990 59.180 58.200 -0.017 0.000 0.983 582 S CB -0.150 63.043 63.200 -0.012 0.000 0.803 582 S HN 0.267 nan 8.310 nan 0.000 0.480 583 Q N 0.214 120.003 119.800 -0.018 0.000 2.123 583 Q HA 0.146 4.487 4.340 0.002 0.000 0.196 583 Q C 2.171 178.162 176.000 -0.014 0.000 0.958 583 Q CA 1.050 56.844 55.803 -0.014 0.000 0.841 583 Q CB -0.183 28.546 28.738 -0.015 0.000 0.915 583 Q HN 0.491 nan 8.270 nan 0.000 0.455 584 I N -0.004 120.554 120.570 -0.020 0.000 2.335 584 I HA -0.222 3.949 4.170 0.002 0.000 0.251 584 I C 1.788 177.898 176.117 -0.012 0.000 1.129 584 I CA 1.678 62.966 61.300 -0.019 0.000 1.402 584 I CB -0.486 37.497 38.000 -0.028 0.000 1.069 584 I HN 0.346 nan 8.210 nan 0.000 0.424 585 M N -0.960 118.633 119.600 -0.011 0.000 2.300 585 M HA 0.109 4.590 4.480 0.002 0.000 0.313 585 M C 0.771 177.071 176.300 -0.001 0.000 0.988 585 M CA -0.276 55.020 55.300 -0.006 0.000 1.012 585 M CB 0.753 33.349 32.600 -0.007 0.000 1.586 585 M HN 0.056 nan 8.290 nan 0.000 0.562 611 T N 1.489 116.214 114.554 0.285 0.000 2.893 611 T HA 0.667 5.019 4.350 0.002 0.000 0.293 611 T C -0.527 174.336 174.700 0.272 0.000 1.027 611 T CA -0.440 61.800 62.100 0.233 0.000 0.988 611 T CB 1.427 70.327 68.868 0.052 0.000 1.043 611 T HN 0.147 nan 8.240 nan 0.000 0.461 612 I N 4.020 124.631 120.570 0.068 0.000 2.433 612 I HA 0.398 4.569 4.170 0.002 0.000 0.292 612 I C -2.437 173.622 176.117 -0.096 0.000 1.001 612 I CA -2.741 58.599 61.300 0.067 0.000 1.119 612 I CB 2.179 40.215 38.000 0.059 0.000 1.289 612 I HN 0.328 nan 8.210 nan 0.000 0.438 613 P HA 0.185 nan 4.420 nan 0.000 0.280 613 P C 0.331 177.696 177.300 0.108 0.000 1.244 613 P CA -0.376 62.690 63.100 -0.058 0.000 0.784 613 P CB 0.334 32.050 31.700 0.027 0.000 0.913 614 F N 1.713 121.785 119.950 0.204 0.000 2.354 614 F HA -0.116 4.412 4.527 0.002 0.000 0.300 614 F C 0.896 176.860 175.800 0.274 0.000 1.052 614 F CA 1.410 59.562 58.000 0.254 0.000 1.425 614 F CB -0.647 38.466 39.000 0.188 0.000 1.095 614 F HN 0.206 nan 8.300 nan 0.000 0.560 615 L N 0.826 122.287 121.223 0.397 0.000 2.568 615 L HA 0.309 4.651 4.340 0.002 0.000 0.262 615 L C -0.496 176.521 176.870 0.244 0.000 0.980 615 L CA -0.590 54.423 54.840 0.288 0.000 0.882 615 L CB 1.170 43.433 42.059 0.340 0.000 1.198 615 L HN 0.039 nan 8.230 nan 0.000 0.425 616 H N 2.524 121.640 119.070 0.077 0.000 2.949 616 H HA 0.742 5.299 4.556 0.002 0.000 0.356 616 H C -1.364 173.974 175.328 0.016 0.000 1.212 616 H CA -1.067 54.960 56.048 -0.036 0.000 1.136 616 H CB 2.043 31.549 29.762 -0.425 0.000 1.869 616 H HN 0.297 nan 8.280 nan 0.000 0.556 617 L N 1.077 122.385 121.223 0.142 0.000 2.330 617 L HA 0.632 4.974 4.340 0.002 0.000 0.271 617 L C 0.233 177.233 176.870 0.217 0.000 1.013 617 L CA -0.984 53.930 54.840 0.124 0.000 0.816 617 L CB 1.887 44.016 42.059 0.117 0.000 1.287 617 L HN 0.489 nan 8.230 nan 0.000 0.435 618 R N 0.693 121.331 120.500 0.230 0.000 2.939 618 R HA 0.679 5.020 4.340 0.002 0.000 0.254 618 R C -1.015 175.493 176.300 0.348 0.000 1.123 618 R CA -0.969 55.283 56.100 0.253 0.000 1.020 618 R CB 2.481 32.838 30.300 0.095 0.000 1.206 618 R HN 0.459 nan 8.270 nan 0.000 0.491 619 K N 0.550 121.079 120.400 0.216 0.000 2.466 619 K HA 0.348 4.669 4.320 0.002 0.000 0.260 619 K C -1.229 175.187 176.600 -0.308 0.000 1.011 619 K CA -0.772 55.541 56.287 0.043 0.000 0.871 619 K CB 2.052 34.564 32.500 0.019 0.000 1.404 619 K HN 0.279 nan 8.250 nan 0.000 0.450 620 K N 1.809 121.885 120.400 -0.541 0.000 2.248 620 K HA 0.071 4.393 4.320 0.002 0.000 0.281 620 K C -0.683 175.702 176.600 -0.358 0.000 1.054 620 K CA -0.481 55.372 56.287 -0.724 0.000 0.903 620 K CB 0.972 32.979 32.500 -0.821 0.000 1.077 620 K HN 0.496 nan 8.250 nan 0.000 0.474 621 D N 2.425 122.648 120.400 -0.294 0.000 2.364 621 D HA -0.086 4.555 4.640 0.002 0.000 0.236 621 D C 0.737 177.003 176.300 -0.057 0.000 1.221 621 D CA 0.572 54.498 54.000 -0.123 0.000 0.891 621 D CB 0.863 41.613 40.800 -0.084 0.000 1.190 621 D HN 0.508 nan 8.370 nan 0.000 0.449 622 E N 0.825 121.069 120.200 0.074 0.000 2.160 622 E HA -0.189 4.162 4.350 0.002 0.000 0.195 622 E C 0.626 177.224 176.600 -0.003 0.000 0.991 622 E CA 0.843 57.273 56.400 0.050 0.000 0.810 622 E CB -0.223 29.555 29.700 0.131 0.000 0.742 622 E HN 0.495 nan 8.360 nan 0.000 0.466 623 F N 0.855 120.732 119.950 -0.122 0.000 2.894 623 F HA 0.303 4.832 4.527 0.002 0.000 0.310 623 F C 1.084 176.813 175.800 -0.118 0.000 1.204 623 F CA -0.591 57.350 58.000 -0.098 0.000 1.290 623 F CB 0.438 39.392 39.000 -0.076 0.000 1.317 623 F HN -0.095 nan 8.300 nan 0.000 0.545 624 G N 1.688 110.471 108.800 -0.028 0.000 2.332 624 G HA2 -0.314 3.648 3.960 0.002 0.000 0.277 624 G HA3 -0.314 3.648 3.960 0.002 0.000 0.277 624 G C -0.374 174.419 174.900 -0.179 0.000 0.884 624 G CA 0.030 45.048 45.100 -0.136 0.000 1.251 624 G HN 0.459 nan 8.290 nan 0.000 0.462 625 N N -0.801 117.736 118.700 -0.272 0.000 2.238 625 N HA 0.455 5.196 4.740 0.002 0.000 0.302 625 N C -0.704 174.559 175.510 -0.412 0.000 1.072 625 N CA -0.767 52.145 53.050 -0.230 0.000 0.792 625 N CB 1.171 39.602 38.487 -0.093 0.000 1.425 625 N HN 0.316 nan 8.380 nan 0.000 0.478 626 W N 1.436 122.651 121.300 -0.143 0.000 2.228 626 W HA 0.313 4.975 4.660 0.002 0.000 0.364 626 W C 0.201 176.581 176.519 -0.233 0.000 0.917 626 W CA -0.522 56.655 57.345 -0.281 0.000 1.513 626 W CB 0.235 29.315 29.460 -0.634 0.000 1.494 626 W HN 0.207 nan 8.180 nan 0.000 0.346 627 E N 1.655 121.853 120.200 -0.004 0.000 2.231 627 E HA 0.079 4.430 4.350 0.002 0.000 0.277 627 E C -0.372 176.290 176.600 0.103 0.000 0.999 627 E CA -1.360 55.051 56.400 0.018 0.000 0.827 627 E CB 1.155 30.837 29.700 -0.030 0.000 1.101 627 E HN 0.120 nan 8.360 nan 0.000 0.393 628 Y N 1.685 121.943 120.300 -0.070 0.000 2.987 628 Y HA -0.149 4.402 4.550 0.002 0.000 0.339 628 Y C -0.522 175.356 175.900 -0.038 0.000 1.272 628 Y CA 0.144 58.197 58.100 -0.079 0.000 1.562 628 Y CB 0.247 38.556 38.460 -0.251 0.000 1.253 628 Y HN 0.261 nan 8.280 nan 0.000 0.604 629 S N 7.776 123.831 115.700 0.591 0.000 2.542 629 S HA 0.253 4.724 4.470 0.002 0.000 0.245 629 S C 0.886 175.723 174.600 0.395 0.000 1.325 629 S CA -0.888 57.498 58.200 0.309 0.000 1.176 629 S CB 0.895 64.210 63.200 0.192 0.000 1.045 629 S HN 0.691 nan 8.310 nan 0.000 0.481 630 K N 2.096 122.651 120.400 0.257 0.000 2.160 630 K HA -0.200 4.121 4.320 0.002 0.000 0.206 630 K C 2.042 178.770 176.600 0.213 0.000 1.047 630 K CA 1.173 57.650 56.287 0.317 0.000 0.930 630 K CB -0.027 32.504 32.500 0.051 0.000 0.720 630 K HN 0.461 nan 8.250 nan 0.000 0.450 631 K N 1.227 121.712 120.400 0.141 0.000 2.044 631 K HA -0.170 4.151 4.320 0.002 0.000 0.210 631 K C 2.040 178.721 176.600 0.134 0.000 1.049 631 K CA 1.300 57.655 56.287 0.112 0.000 0.927 631 K CB -0.034 32.514 32.500 0.081 0.000 0.713 631 K HN 0.048 nan 8.250 nan 0.000 0.443 632 L N -0.093 121.226 121.223 0.161 0.000 2.049 632 L HA -0.091 4.250 4.340 0.002 0.000 0.203 632 L C 2.453 179.447 176.870 0.206 0.000 1.074 632 L CA 1.401 56.340 54.840 0.166 0.000 0.749 632 L CB -0.781 41.376 42.059 0.162 0.000 0.907 632 L HN 0.194 nan 8.230 nan 0.000 0.439 633 T N 0.191 114.889 114.554 0.240 0.000 2.751 633 T HA -0.214 4.137 4.350 0.002 0.000 0.268 633 T C 1.785 176.609 174.700 0.206 0.000 1.045 633 T CA 1.382 63.635 62.100 0.254 0.000 1.142 633 T CB -0.788 68.214 68.868 0.223 0.000 0.851 633 T HN 0.599 nan 8.240 nan 0.000 0.474 634 G N 2.024 110.930 108.800 0.177 0.000 2.604 634 G HA2 -0.176 3.786 3.960 0.002 0.000 0.216 634 G HA3 -0.176 3.786 3.960 0.002 0.000 0.216 634 G C 1.447 176.410 174.900 0.105 0.000 1.265 634 G CA 0.944 46.117 45.100 0.121 0.000 0.804 634 G HN 0.552 nan 8.290 nan 0.000 0.579 635 I N -0.245 120.398 120.570 0.121 0.000 2.181 635 I HA -0.297 3.874 4.170 0.002 0.000 0.247 635 I C 2.539 178.745 176.117 0.147 0.000 1.081 635 I CA 1.921 63.291 61.300 0.117 0.000 1.340 635 I CB -0.528 37.544 38.000 0.120 0.000 1.036 635 I HN 0.302 nan 8.210 nan 0.000 0.417 636 Y N 1.807 122.144 120.300 0.061 0.000 2.130 636 Y HA -0.129 4.423 4.550 0.002 0.000 0.287 636 Y C 2.280 178.206 175.900 0.042 0.000 1.124 636 Y CA 1.328 59.458 58.100 0.050 0.000 1.118 636 Y CB -0.693 37.797 38.460 0.049 0.000 0.994 636 Y HN -0.038 nan 8.280 nan 0.000 0.497 637 L N 0.433 121.465 121.223 -0.318 0.000 2.353 637 L HA -0.189 4.153 4.340 0.002 0.000 0.220 637 L C 1.753 178.506 176.870 -0.195 0.000 1.133 637 L CA 1.206 55.801 54.840 -0.408 0.000 0.798 637 L CB -0.445 41.508 42.059 -0.177 0.000 0.922 637 L HN 0.273 nan 8.230 nan 0.000 0.445 638 D N -0.511 119.839 120.400 -0.083 0.000 2.110 638 D HA -0.094 4.547 4.640 0.002 0.000 0.202 638 D C 2.114 178.405 176.300 -0.014 0.000 0.975 638 D CA 1.429 55.415 54.000 -0.022 0.000 0.839 638 D CB -0.351 40.460 40.800 0.018 0.000 0.996 638 D HN 0.260 nan 8.370 nan 0.000 0.464 639 G N 0.914 109.713 108.800 -0.001 0.000 2.422 639 G HA2 -0.219 3.742 3.960 0.002 0.000 0.218 639 G HA3 -0.219 3.742 3.960 0.002 0.000 0.218 639 G C 1.526 176.431 174.900 0.008 0.000 1.146 639 G CA 0.412 45.527 45.100 0.024 0.000 0.769 639 G HN 0.217 nan 8.290 nan 0.000 0.547 640 L N 0.429 121.589 121.223 -0.105 0.000 2.187 640 L HA 0.024 4.366 4.340 0.002 0.000 0.213 640 L C 2.364 179.280 176.870 0.077 0.000 1.100 640 L CA 1.675 56.421 54.840 -0.157 0.000 0.765 640 L CB -0.285 41.459 42.059 -0.525 0.000 0.904 640 L HN 0.233 nan 8.230 nan 0.000 0.437 641 E N -0.480 119.745 120.200 0.042 0.000 2.024 641 E HA -0.081 4.271 4.350 0.002 0.000 0.190 641 E C 2.096 178.757 176.600 0.102 0.000 0.974 641 E CA 0.985 57.441 56.400 0.093 0.000 0.810 641 E CB -0.096 29.623 29.700 0.032 0.000 0.775 641 E HN 0.478 nan 8.360 nan 0.000 0.453 642 A N 1.492 124.347 122.820 0.059 0.000 2.042 642 A HA -0.209 4.113 4.320 0.002 0.000 0.222 642 A C 2.304 179.920 177.584 0.053 0.000 1.167 642 A CA 2.119 54.182 52.037 0.043 0.000 0.649 642 A CB -0.592 18.425 19.000 0.028 0.000 0.809 642 A HN 0.351 nan 8.150 nan 0.000 0.457 643 A N -0.107 122.777 122.820 0.106 0.000 1.845 643 A HA 0.161 4.483 4.320 0.002 0.000 0.215 643 A C 2.538 180.167 177.584 0.074 0.000 1.195 643 A CA 2.141 54.259 52.037 0.134 0.000 0.616 643 A CB -1.198 17.994 19.000 0.319 0.000 0.832 643 A HN 1.181 nan 8.150 nan 0.000 0.443 644 A N -0.930 121.995 122.820 0.174 0.000 2.019 644 A HA -0.115 4.207 4.320 0.002 0.000 0.219 644 A C 2.246 179.814 177.584 -0.028 0.000 1.164 644 A CA 1.504 53.538 52.037 -0.005 0.000 0.644 644 A CB -0.374 18.720 19.000 0.158 0.000 0.805 644 A HN 0.544 nan 8.150 nan 0.000 0.449 645 R N -0.420 120.089 120.500 0.014 0.000 2.060 645 R HA -0.049 4.292 4.340 0.002 0.000 0.218 645 R C 2.742 179.025 176.300 -0.029 0.000 1.200 645 R CA 1.583 57.682 56.100 -0.002 0.000 0.935 645 R CB -0.517 29.790 30.300 0.013 0.000 0.814 645 R HN 0.632 nan 8.270 nan 0.000 0.460 646 S N -0.495 115.191 115.700 -0.023 0.000 2.470 646 S HA 0.137 4.609 4.470 0.002 0.000 0.225 646 S C 0.798 175.365 174.600 -0.055 0.000 1.006 646 S CA 0.485 58.666 58.200 -0.032 0.000 0.934 646 S CB 0.313 63.501 63.200 -0.019 0.000 0.778 646 S HN 0.696 nan 8.310 nan 0.000 0.517 647 G N 0.332 109.089 108.800 -0.071 0.000 2.629 647 G HA2 0.183 4.144 3.960 0.002 0.000 0.686 647 G HA3 0.183 4.144 3.960 0.002 0.000 0.686 647 G C -1.420 173.429 174.900 -0.084 0.000 1.232 647 G CA -0.418 44.614 45.100 -0.113 0.000 0.803 647 G HN 0.916 nan 8.290 nan 0.000 0.638 648 L N 0.671 121.835 121.223 -0.099 0.000 2.341 648 L HA 0.909 5.250 4.340 0.002 0.000 0.278 648 L C 0.462 177.207 176.870 -0.208 0.000 1.005 648 L CA -0.076 54.686 54.840 -0.130 0.000 0.818 648 L CB 2.107 44.118 42.059 -0.080 0.000 1.259 648 L HN 1.085 nan 8.230 nan 0.000 0.418 649 T N 3.265 117.639 114.554 -0.301 0.000 2.940 649 T HA 0.555 4.906 4.350 0.002 0.000 0.288 649 T C -0.101 174.305 174.700 -0.490 0.000 1.033 649 T CA -0.073 61.875 62.100 -0.252 0.000 1.033 649 T CB 0.618 69.426 68.868 -0.100 0.000 1.079 649 T HN 0.425 nan 8.240 nan 0.000 0.496 650 F N 0.800 120.766 119.950 0.026 0.000 2.772 650 F HA 0.405 4.933 4.527 0.002 0.000 0.316 650 F C 1.103 176.891 175.800 -0.020 0.000 1.114 650 F CA -0.606 57.391 58.000 -0.005 0.000 1.191 650 F CB 0.283 39.232 39.000 -0.085 0.000 1.065 650 F HN 0.512 nan 8.300 nan 0.000 0.534 651 Q N 0.898 120.763 119.800 0.108 0.000 2.549 651 Q HA 0.179 4.520 4.340 0.002 0.000 0.347 651 Q C 1.418 177.425 176.000 0.011 0.000 1.081 651 Q CA 1.554 57.388 55.803 0.052 0.000 1.093 651 Q CB 0.219 28.975 28.738 0.029 0.000 1.067 651 Q HN 0.711 nan 8.270 nan 0.000 0.398 652 G N 3.233 112.006 108.800 -0.045 0.000 2.179 652 G HA2 -0.293 3.668 3.960 0.002 0.000 0.260 652 G HA3 -0.293 3.668 3.960 0.002 0.000 0.260 652 G C -0.194 174.527 174.900 -0.299 0.000 0.977 652 G CA 0.433 45.449 45.100 -0.139 0.000 0.641 652 G HN 0.549 nan 8.290 nan 0.000 0.533 653 K N 0.498 120.778 120.400 -0.200 0.000 2.123 653 K HA 0.586 4.908 4.320 0.002 0.000 0.259 653 K C -0.455 175.953 176.600 -0.319 0.000 0.960 653 K CA -0.854 55.307 56.287 -0.209 0.000 0.872 653 K CB 0.777 33.381 32.500 0.173 0.000 1.079 653 K HN 0.302 nan 8.250 nan 0.000 0.440 654 H N 0.303 119.289 119.070 -0.139 0.000 2.469 654 H HA 0.573 5.131 4.556 0.002 0.000 0.342 654 H C -0.859 174.424 175.328 -0.075 0.000 1.115 654 H CA -0.852 55.001 56.048 -0.325 0.000 1.204 654 H CB 1.923 31.393 29.762 -0.487 0.000 1.492 654 H HN 0.688 nan 8.280 nan 0.000 0.499 655 A N 3.090 125.935 122.820 0.043 0.000 2.455 655 A HA 0.437 4.759 4.320 0.002 0.000 0.300 655 A C -1.228 176.429 177.584 0.121 0.000 1.040 655 A CA -0.675 51.424 52.037 0.104 0.000 0.697 655 A CB 1.696 20.686 19.000 -0.017 0.000 1.265 655 A HN 0.498 nan 8.150 nan 0.000 0.407 656 L N 2.219 123.517 121.223 0.125 0.000 2.325 656 L HA 0.855 5.196 4.340 0.002 0.000 0.279 656 L C -0.456 176.436 176.870 0.038 0.000 1.054 656 L CA -0.087 54.802 54.840 0.082 0.000 0.804 656 L CB 0.786 42.877 42.059 0.053 0.000 1.200 656 L HN 0.699 nan 8.230 nan 0.000 0.436 657 M N 4.873 124.479 119.600 0.011 0.000 2.122 657 M HA 0.271 4.752 4.480 0.002 0.000 0.269 657 M C -0.787 175.524 176.300 0.018 0.000 0.954 657 M CA -0.483 54.822 55.300 0.009 0.000 0.998 657 M CB 1.909 34.500 32.600 -0.016 0.000 1.755 657 M HN 0.787 nan 8.290 nan 0.000 0.459 658 T N -0.909 113.675 114.554 0.050 0.000 2.767 658 T HA 0.728 5.079 4.350 0.002 0.000 0.284 658 T C 0.867 175.660 174.700 0.155 0.000 0.973 658 T CA 0.422 62.575 62.100 0.089 0.000 0.996 658 T CB 1.497 70.423 68.868 0.098 0.000 0.927 658 T HN 1.002 nan 8.240 nan 0.000 0.456 659 G N 1.941 110.829 108.800 0.147 0.000 2.154 659 G HA2 0.003 3.964 3.960 0.002 0.000 0.186 659 G HA3 0.003 3.964 3.960 0.002 0.000 0.186 659 G C 0.568 175.534 174.900 0.109 0.000 1.000 659 G CA -0.278 44.915 45.100 0.155 0.000 0.664 659 G HN 1.512 nan 8.290 nan 0.000 0.513 660 A N 0.748 123.629 122.820 0.101 0.000 2.543 660 A HA 0.641 4.963 4.320 0.002 0.000 0.258 660 A C 1.566 179.228 177.584 0.131 0.000 1.391 660 A CA 1.226 53.314 52.037 0.085 0.000 1.066 660 A CB -0.644 18.429 19.000 0.121 0.000 0.972 660 A HN 1.748 nan 8.150 nan 0.000 0.560 661 G N -0.554 108.294 108.800 0.081 0.000 2.690 661 G HA2 0.428 4.389 3.960 0.002 0.000 0.239 661 G HA3 0.428 4.389 3.960 0.002 0.000 0.239 661 G C 0.534 175.360 174.900 -0.124 0.000 1.233 661 G CA 0.083 45.192 45.100 0.014 0.000 0.847 661 G HN 1.033 nan 8.290 nan 0.000 0.588 662 A N -0.500 122.086 122.820 -0.389 0.000 2.511 662 A HA 0.547 4.868 4.320 0.002 0.000 0.242 662 A C 1.524 178.962 177.584 -0.243 0.000 1.069 662 A CA 0.995 52.638 52.037 -0.658 0.000 0.763 662 A CB -0.341 17.936 19.000 -1.204 0.000 1.001 662 A HN 2.657 nan 8.150 nan 0.000 0.498 663 G N 1.213 109.957 108.800 -0.094 0.000 2.272 663 G HA2 0.069 4.031 3.960 0.002 0.000 0.280 663 G HA3 0.069 4.031 3.960 0.002 0.000 0.280 663 G C 0.208 175.097 174.900 -0.018 0.000 1.067 663 G CA 0.924 46.006 45.100 -0.031 0.000 0.902 663 G HN 2.370 nan 8.290 nan 0.000 0.500 664 S N -1.706 113.987 115.700 -0.012 0.000 2.627 664 S HA 0.738 5.210 4.470 0.002 0.000 0.283 664 S C 1.331 175.924 174.600 -0.012 0.000 1.127 664 S CA -0.410 57.788 58.200 -0.003 0.000 0.863 664 S CB 1.602 64.799 63.200 -0.004 0.000 1.121 664 S HN 0.342 nan 8.310 nan 0.000 0.479 665 I N 1.323 121.895 120.570 0.003 0.000 2.151 665 I HA -0.132 4.040 4.170 0.002 0.000 0.243 665 I C 2.729 178.738 176.117 -0.180 0.000 1.080 665 I CA 1.952 63.232 61.300 -0.033 0.000 1.339 665 I CB -1.082 36.950 38.000 0.053 0.000 1.039 665 I HN 0.926 nan 8.210 nan 0.000 0.409 666 G N 0.470 109.110 108.800 -0.266 0.000 2.442 666 G HA2 -0.252 3.709 3.960 0.002 0.000 0.219 666 G HA3 -0.252 3.709 3.960 0.002 0.000 0.219 666 G C 1.871 176.655 174.900 -0.194 0.000 1.141 666 G CA 0.927 45.806 45.100 -0.367 0.000 0.763 666 G HN 0.522 nan 8.290 nan 0.000 0.554 667 A N 0.704 123.464 122.820 -0.100 0.000 1.883 667 A HA -0.065 4.257 4.320 0.002 0.000 0.217 667 A C 2.274 179.799 177.584 -0.099 0.000 1.186 667 A CA 2.016 54.017 52.037 -0.060 0.000 0.624 667 A CB -0.333 18.673 19.000 0.010 0.000 0.822 667 A HN 0.313 nan 8.150 nan 0.000 0.444 668 E N -0.167 119.976 120.200 -0.095 0.000 2.028 668 E HA -0.114 4.237 4.350 0.002 0.000 0.191 668 E C 2.243 178.739 176.600 -0.172 0.000 0.988 668 E CA 1.348 57.686 56.400 -0.104 0.000 0.799 668 E CB -0.814 28.858 29.700 -0.048 0.000 0.755 668 E HN 0.361 nan 8.360 nan 0.000 0.447 669 V N 2.076 121.870 119.914 -0.199 0.000 2.380 669 V HA -0.270 3.851 4.120 0.002 0.000 0.251 669 V C 2.534 178.451 176.094 -0.296 0.000 1.063 669 V CA 1.645 63.786 62.300 -0.264 0.000 1.055 669 V CB -0.672 30.967 31.823 -0.306 0.000 0.657 669 V HN 0.158 nan 8.190 nan 0.000 0.455 670 L N 0.514 121.598 121.223 -0.233 0.000 1.955 670 L HA -0.254 4.087 4.340 0.002 0.000 0.213 670 L C 2.619 179.373 176.870 -0.193 0.000 1.072 670 L CA 2.148 56.874 54.840 -0.190 0.000 0.755 670 L CB -0.858 41.140 42.059 -0.102 0.000 0.888 670 L HN 0.389 nan 8.230 nan 0.000 0.432 671 Q N -0.290 119.403 119.800 -0.178 0.000 2.217 671 Q HA -0.210 4.131 4.340 0.002 0.000 0.209 671 Q C 2.066 177.944 176.000 -0.204 0.000 0.988 671 Q CA 1.440 57.144 55.803 -0.165 0.000 0.878 671 Q CB -0.886 27.757 28.738 -0.158 0.000 0.909 671 Q HN 0.765 nan 8.270 nan 0.000 0.424 672 G N 1.677 110.268 108.800 -0.348 0.000 2.552 672 G HA2 -0.259 3.703 3.960 0.002 0.000 0.216 672 G HA3 -0.259 3.703 3.960 0.002 0.000 0.216 672 G C 1.335 176.089 174.900 -0.243 0.000 1.240 672 G CA 1.063 45.840 45.100 -0.539 0.000 0.796 672 G HN 0.206 nan 8.290 nan 0.000 0.568 673 L N 0.380 121.363 121.223 -0.400 0.000 2.127 673 L HA -0.019 4.322 4.340 0.002 0.000 0.211 673 L C 2.791 179.582 176.870 -0.131 0.000 1.089 673 L CA 0.721 55.277 54.840 -0.473 0.000 0.757 673 L CB -0.418 41.225 42.059 -0.693 0.000 0.899 673 L HN 0.163 nan 8.230 nan 0.000 0.434 674 L N -1.678 119.489 121.223 -0.093 0.000 2.156 674 L HA -0.135 4.206 4.340 0.002 0.000 0.208 674 L C 2.522 179.402 176.870 0.017 0.000 1.095 674 L CA 0.801 55.640 54.840 -0.003 0.000 0.770 674 L CB -0.370 41.696 42.059 0.011 0.000 0.914 674 L HN 0.199 nan 8.230 nan 0.000 0.439 675 S N -0.392 115.324 115.700 0.028 0.000 2.406 675 S HA 0.017 4.488 4.470 0.002 0.000 0.228 675 S C 1.190 175.865 174.600 0.124 0.000 1.020 675 S CA 0.575 58.817 58.200 0.070 0.000 0.965 675 S CB -0.212 63.055 63.200 0.112 0.000 0.798 675 S HN 0.515 nan 8.310 nan 0.000 0.488 676 G N -0.042 108.885 108.800 0.210 0.000 2.611 676 G HA2 0.413 4.374 3.960 0.002 0.000 0.273 676 G HA3 0.413 4.374 3.960 0.002 0.000 0.273 676 G C 0.768 175.757 174.900 0.148 0.000 1.305 676 G CA -0.110 45.131 45.100 0.235 0.000 1.010 676 G HN 0.348 nan 8.290 nan 0.000 0.509 677 G N -0.837 108.039 108.800 0.126 0.000 3.234 677 G HA2 0.424 4.385 3.960 0.002 0.000 0.221 677 G HA3 0.424 4.385 3.960 0.002 0.000 0.221 677 G C 0.687 175.619 174.900 0.055 0.000 1.229 677 G CA 0.730 45.878 45.100 0.080 0.000 0.909 677 G HN 0.880 nan 8.290 nan 0.000 0.510 678 A N 0.372 123.223 122.820 0.053 0.000 2.388 678 A HA 0.580 4.902 4.320 0.002 0.000 0.257 678 A C 0.273 177.834 177.584 -0.038 0.000 1.095 678 A CA -0.213 51.804 52.037 -0.034 0.000 0.791 678 A CB 0.554 19.471 19.000 -0.138 0.000 1.029 678 A HN 0.297 nan 8.150 nan 0.000 0.489 679 K N 1.278 121.605 120.400 -0.120 0.000 2.263 679 K HA 0.506 4.827 4.320 0.002 0.000 0.272 679 K C -0.694 175.773 176.600 -0.223 0.000 1.033 679 K CA -0.390 55.786 56.287 -0.184 0.000 0.884 679 K CB 1.489 33.718 32.500 -0.450 0.000 1.107 679 K HN 0.586 nan 8.250 nan 0.000 0.460 680 V N 0.968 120.891 119.914 0.015 0.000 2.864 680 V HA 0.591 4.712 4.120 0.002 0.000 0.314 680 V C -0.395 175.888 176.094 0.315 0.000 1.073 680 V CA -1.133 61.236 62.300 0.116 0.000 0.956 680 V CB 1.869 33.710 31.823 0.030 0.000 1.023 680 V HN 0.748 nan 8.190 nan 0.000 0.435 681 I N 3.108 123.865 120.570 0.311 0.000 2.382 681 I HA 0.651 4.822 4.170 0.002 0.000 0.286 681 I C -1.061 175.086 176.117 0.049 0.000 1.002 681 I CA -0.604 60.795 61.300 0.166 0.000 1.135 681 I CB 1.358 39.416 38.000 0.096 0.000 1.288 681 I HN 0.568 nan 8.210 nan 0.000 0.448 682 V N 5.845 125.759 119.914 0.001 0.000 2.435 682 V HA 0.431 4.552 4.120 0.002 0.000 0.290 682 V C 0.382 176.430 176.094 -0.078 0.000 1.030 682 V CA -0.495 61.796 62.300 -0.015 0.000 0.881 682 V CB 1.702 33.550 31.823 0.042 0.000 0.983 682 V HN 0.803 nan 8.190 nan 0.000 0.445 683 T N 0.836 115.369 114.554 -0.034 0.000 2.795 683 T HA 0.592 4.943 4.350 0.002 0.000 0.282 683 T C -0.278 174.469 174.700 0.079 0.000 0.980 683 T CA -0.489 61.629 62.100 0.030 0.000 1.012 683 T CB 1.523 70.394 68.868 0.006 0.000 0.936 683 T HN 0.632 nan 8.240 nan 0.000 0.457 684 T N 1.084 115.689 114.554 0.085 0.000 2.876 684 T HA 0.514 4.865 4.350 0.002 0.000 0.289 684 T C 0.984 175.766 174.700 0.135 0.000 1.014 684 T CA -0.349 61.791 62.100 0.067 0.000 0.986 684 T CB 1.448 70.267 68.868 -0.083 0.000 1.021 684 T HN 0.845 nan 8.240 nan 0.000 0.458 685 S N 3.332 119.090 115.700 0.096 0.000 2.540 685 S HA 0.278 4.750 4.470 0.002 0.000 0.218 685 S C 0.446 175.081 174.600 0.058 0.000 0.977 685 S CA -0.533 57.707 58.200 0.068 0.000 0.918 685 S CB 0.028 63.245 63.200 0.029 0.000 0.806 685 S HN 0.666 nan 8.310 nan 0.000 0.496 686 R N 0.902 121.440 120.500 0.064 0.000 2.494 686 R HA 0.344 4.686 4.340 0.002 0.000 0.284 686 R C -1.553 174.801 176.300 0.090 0.000 1.525 686 R CA -0.372 55.765 56.100 0.061 0.000 1.460 686 R CB 0.260 30.573 30.300 0.022 0.000 1.134 686 R HN 0.358 nan 8.270 nan 0.000 0.592 687 F N 3.187 123.126 119.950 -0.019 0.000 2.567 687 F HA 0.171 4.699 4.527 0.002 0.000 0.352 687 F C -0.026 175.763 175.800 -0.017 0.000 1.229 687 F CA -0.256 57.728 58.000 -0.028 0.000 1.228 687 F CB 0.327 39.299 39.000 -0.047 0.000 1.568 687 F HN 0.332 nan 8.300 nan 0.000 0.634 688 S N 3.900 119.671 115.700 0.119 0.000 2.689 688 S HA 0.419 4.890 4.470 0.002 0.000 0.306 688 S C 1.070 175.698 174.600 0.047 0.000 1.104 688 S CA -1.108 57.162 58.200 0.117 0.000 0.973 688 S CB 1.932 65.171 63.200 0.065 0.000 1.121 688 S HN 0.688 nan 8.310 nan 0.000 0.523 689 R N 0.392 120.932 120.500 0.067 0.000 2.105 689 R HA -0.159 4.182 4.340 0.002 0.000 0.239 689 R C 2.168 178.482 176.300 0.023 0.000 1.135 689 R CA 1.679 57.804 56.100 0.041 0.000 0.967 689 R CB -0.447 29.878 30.300 0.043 0.000 0.861 689 R HN 0.884 nan 8.270 nan 0.000 0.442 690 Q N 0.216 120.033 119.800 0.028 0.000 2.096 690 Q HA -0.138 4.204 4.340 0.002 0.000 0.204 690 Q C 1.866 177.897 176.000 0.052 0.000 0.982 690 Q CA 1.871 57.692 55.803 0.030 0.000 0.850 690 Q CB 0.130 28.880 28.738 0.020 0.000 0.901 690 Q HN 0.279 nan 8.270 nan 0.000 0.422 691 V N 0.169 120.100 119.914 0.029 0.000 2.535 691 V HA -0.161 3.960 4.120 0.002 0.000 0.246 691 V C 2.238 178.412 176.094 0.134 0.000 1.045 691 V CA 1.782 64.135 62.300 0.088 0.000 1.058 691 V CB -0.489 31.327 31.823 -0.011 0.000 0.689 691 V HN 0.428 nan 8.190 nan 0.000 0.461 692 T N -0.066 114.449 114.554 -0.065 0.000 2.635 692 T HA -0.256 4.095 4.350 0.002 0.000 0.267 692 T C 1.790 176.556 174.700 0.109 0.000 1.040 692 T CA 2.030 64.106 62.100 -0.041 0.000 1.156 692 T CB -0.230 68.611 68.868 -0.045 0.000 0.863 692 T HN 0.572 nan 8.240 nan 0.000 0.430 693 E N -0.155 120.080 120.200 0.057 0.000 2.023 693 E HA -0.189 4.162 4.350 0.002 0.000 0.196 693 E C 1.966 178.584 176.600 0.031 0.000 1.003 693 E CA 1.561 57.960 56.400 -0.002 0.000 0.809 693 E CB -0.444 29.244 29.700 -0.019 0.000 0.755 693 E HN 0.603 nan 8.360 nan 0.000 0.449 694 Y N 0.796 121.086 120.300 -0.017 0.000 2.062 694 Y HA -0.382 4.170 4.550 0.002 0.000 0.273 694 Y C 2.102 177.952 175.900 -0.084 0.000 1.206 694 Y CA 2.152 60.212 58.100 -0.066 0.000 1.125 694 Y CB -0.700 37.721 38.460 -0.065 0.000 0.951 694 Y HN 0.103 nan 8.280 nan 0.000 0.501 695 Y N 0.313 120.591 120.300 -0.037 0.000 2.200 695 Y HA -0.240 4.311 4.550 0.002 0.000 0.290 695 Y C 2.761 178.623 175.900 -0.063 0.000 1.137 695 Y CA 1.676 59.736 58.100 -0.067 0.000 1.163 695 Y CB -0.953 37.592 38.460 0.142 0.000 0.988 695 Y HN 0.441 nan 8.280 nan 0.000 0.518 696 Q N -0.005 119.796 119.800 0.001 0.000 2.167 696 Q HA -0.053 4.288 4.340 0.002 0.000 0.202 696 Q C 2.353 178.104 176.000 -0.414 0.000 0.970 696 Q CA 1.833 57.352 55.803 -0.473 0.000 0.855 696 Q CB -1.125 27.069 28.738 -0.908 0.000 0.911 696 Q HN 0.309 nan 8.270 nan 0.000 0.438 697 G N 1.590 110.174 108.800 -0.360 0.000 2.480 697 G HA2 -0.251 3.711 3.960 0.002 0.000 0.216 697 G HA3 -0.251 3.711 3.960 0.002 0.000 0.216 697 G C 1.514 176.187 174.900 -0.378 0.000 1.200 697 G CA 1.170 46.040 45.100 -0.383 0.000 0.782 697 G HN 0.389 nan 8.290 nan 0.000 0.554 698 I N -0.635 119.687 120.570 -0.414 0.000 2.194 698 I HA -0.257 3.915 4.170 0.002 0.000 0.246 698 I C 2.491 178.493 176.117 -0.192 0.000 1.093 698 I CA 1.621 62.710 61.300 -0.352 0.000 1.355 698 I CB -0.227 37.504 38.000 -0.448 0.000 1.046 698 I HN 0.296 nan 8.210 nan 0.000 0.413 699 Y N 1.204 121.365 120.300 -0.231 0.000 2.439 699 Y HA -0.065 4.486 4.550 0.002 0.000 0.292 699 Y C 2.364 178.132 175.900 -0.220 0.000 1.130 699 Y CA 0.948 58.968 58.100 -0.134 0.000 1.254 699 Y CB -0.114 38.355 38.460 0.014 0.000 1.000 699 Y HN 0.113 nan 8.280 nan 0.000 0.554 700 A N 0.097 122.651 122.820 -0.443 0.000 2.066 700 A HA -0.065 4.257 4.320 0.002 0.000 0.218 700 A C 2.040 179.420 177.584 -0.339 0.000 1.157 700 A CA 1.131 52.767 52.037 -0.669 0.000 0.670 700 A CB -0.192 18.253 19.000 -0.924 0.000 0.804 700 A HN 0.340 nan 8.150 nan 0.000 0.453 701 R N -1.811 118.512 120.500 -0.294 0.000 2.225 701 R HA 0.161 4.502 4.340 0.002 0.000 0.194 701 R C 1.077 177.272 176.300 -0.175 0.000 0.957 701 R CA 0.937 56.917 56.100 -0.200 0.000 1.042 701 R CB -0.697 29.488 30.300 -0.191 0.000 1.004 701 R HN 0.510 nan 8.270 nan 0.000 0.509 702 C N 0.138 119.307 119.300 -0.218 0.000 3.336 702 C HA 0.358 4.820 4.460 0.002 0.000 0.291 702 C C 1.194 176.053 174.990 -0.218 0.000 1.363 702 C CA -0.787 58.130 59.018 -0.168 0.000 1.737 702 C CB -0.024 27.637 27.740 -0.131 0.000 2.274 702 C HN 0.359 nan 8.230 nan 0.000 0.663 703 G N 1.706 110.239 108.800 -0.444 0.000 2.605 703 G HA2 0.488 4.450 3.960 0.002 0.000 0.301 703 G HA3 0.488 4.450 3.960 0.002 0.000 0.301 703 G C 0.347 175.085 174.900 -0.270 0.000 0.881 703 G CA 0.365 45.071 45.100 -0.658 0.000 1.553 703 G HN 0.589 nan 8.290 nan 0.000 0.483 704 A N 3.709 126.472 122.820 -0.095 0.000 2.386 704 A HA 0.582 4.903 4.320 0.002 0.000 0.248 704 A C 1.047 178.656 177.584 0.042 0.000 1.082 704 A CA -0.704 51.328 52.037 -0.008 0.000 0.789 704 A CB 0.305 19.321 19.000 0.027 0.000 1.025 704 A HN 0.928 nan 8.150 nan 0.000 0.490 705 R N 0.905 121.444 120.500 0.066 0.000 2.638 705 R HA 0.352 4.693 4.340 0.002 0.000 0.268 705 R C 1.044 177.405 176.300 0.101 0.000 1.006 705 R CA 0.396 56.557 56.100 0.103 0.000 1.088 705 R CB -0.208 30.150 30.300 0.097 0.000 0.950 705 R HN 1.903 nan 8.270 nan 0.000 0.419 706 G N 1.043 109.917 108.800 0.124 0.000 2.299 706 G HA2 -0.378 3.583 3.960 0.002 0.000 0.237 706 G HA3 -0.378 3.583 3.960 0.002 0.000 0.237 706 G C 0.211 175.183 174.900 0.120 0.000 1.027 706 G CA 0.254 45.417 45.100 0.104 0.000 0.619 706 G HN 1.059 nan 8.290 nan 0.000 0.513 707 S N -0.335 115.462 115.700 0.161 0.000 2.632 707 S HA 0.680 5.151 4.470 0.002 0.000 0.267 707 S C -0.226 174.565 174.600 0.319 0.000 1.276 707 S CA 0.775 59.099 58.200 0.207 0.000 0.998 707 S CB 2.049 65.380 63.200 0.218 0.000 0.953 707 S HN 1.123 nan 8.310 nan 0.000 0.547 708 Q N 0.681 120.642 119.800 0.268 0.000 2.320 708 Q HA 0.505 4.846 4.340 0.002 0.000 0.272 708 Q C -2.174 173.883 176.000 0.095 0.000 1.023 708 Q CA -0.596 55.301 55.803 0.157 0.000 0.855 708 Q CB 1.613 30.456 28.738 0.175 0.000 1.367 708 Q HN 0.839 nan 8.270 nan 0.000 0.406 709 L N 4.602 125.737 121.223 -0.147 0.000 2.319 709 L HA 0.634 4.976 4.340 0.002 0.000 0.281 709 L C -1.449 175.307 176.870 -0.190 0.000 1.005 709 L CA -0.800 53.995 54.840 -0.076 0.000 0.828 709 L CB 1.767 43.803 42.059 -0.037 0.000 1.227 709 L HN 0.526 nan 8.230 nan 0.000 0.415 710 V N 5.903 125.768 119.914 -0.082 0.000 2.326 710 V HA 0.335 4.456 4.120 0.002 0.000 0.281 710 V C 0.098 176.076 176.094 -0.192 0.000 1.015 710 V CA -0.547 61.645 62.300 -0.180 0.000 0.823 710 V CB 1.848 33.604 31.823 -0.112 0.000 1.009 710 V HN 0.448 nan 8.190 nan 0.000 0.436 711 V N 5.668 125.377 119.914 -0.341 0.000 2.617 711 V HA 0.662 4.783 4.120 0.002 0.000 0.298 711 V C -0.031 175.989 176.094 -0.124 0.000 1.048 711 V CA -0.381 61.722 62.300 -0.329 0.000 0.964 711 V CB 1.940 33.415 31.823 -0.579 0.000 1.004 711 V HN 0.561 nan 8.190 nan 0.000 0.466 712 V N 4.798 124.709 119.914 -0.006 0.000 3.012 712 V HA 0.474 4.596 4.120 0.002 0.000 0.307 712 V C -2.682 173.613 176.094 0.334 0.000 1.166 712 V CA -1.672 60.743 62.300 0.192 0.000 0.974 712 V CB 3.204 35.133 31.823 0.177 0.000 1.040 712 V HN 0.771 nan 8.190 nan 0.000 0.428 713 P HA 0.547 nan 4.420 nan 0.000 0.285 713 P C -1.414 176.112 177.300 0.378 0.000 1.259 713 P CA -0.153 63.165 63.100 0.364 0.000 0.794 713 P CB 0.706 32.412 31.700 0.009 0.000 0.940 714 F N 2.118 122.146 119.950 0.130 0.000 2.693 714 F HA 0.529 5.058 4.527 0.002 0.000 0.309 714 F C -1.682 174.141 175.800 0.039 0.000 1.129 714 F CA -0.705 57.354 58.000 0.098 0.000 0.948 714 F CB 2.095 41.134 39.000 0.066 0.000 1.315 714 F HN 0.276 nan 8.300 nan 0.000 0.447 715 N N 3.088 121.203 118.700 -0.976 0.000 2.653 715 N HA 0.153 4.894 4.740 0.002 0.000 0.261 715 N C -0.359 174.603 175.510 -0.913 0.000 1.216 715 N CA -0.197 52.450 53.050 -0.672 0.000 0.784 715 N CB 1.277 39.541 38.487 -0.370 0.000 1.327 715 N HN 0.793 nan 8.380 nan 0.000 0.539 716 Q N 1.708 121.095 119.800 -0.689 0.000 2.541 716 Q HA -0.005 4.336 4.340 0.002 0.000 0.215 716 Q C 1.523 177.377 176.000 -0.244 0.000 0.977 716 Q CA 1.060 56.639 55.803 -0.373 0.000 0.934 716 Q CB 0.114 28.906 28.738 0.091 0.000 0.988 716 Q HN 0.780 nan 8.270 nan 0.000 0.521 717 G N -0.273 108.362 108.800 -0.276 0.000 2.598 717 G HA2 -0.113 3.848 3.960 0.002 0.000 0.215 717 G HA3 -0.113 3.848 3.960 0.002 0.000 0.215 717 G C 0.356 175.099 174.900 -0.262 0.000 1.131 717 G CA 0.326 45.276 45.100 -0.250 0.000 0.785 717 G HN 0.237 nan 8.290 nan 0.000 0.539 718 S N -0.361 115.168 115.700 -0.286 0.000 2.433 718 S HA 0.330 4.801 4.470 0.002 0.000 0.310 718 S C 1.239 175.737 174.600 -0.170 0.000 1.097 718 S CA -0.582 57.479 58.200 -0.233 0.000 1.103 718 S CB 1.569 64.621 63.200 -0.245 0.000 0.992 718 S HN 0.293 nan 8.310 nan 0.000 0.469 719 K N 3.913 124.241 120.400 -0.120 0.000 2.063 719 K HA -0.189 4.132 4.320 0.002 0.000 0.208 719 K C 1.682 178.244 176.600 -0.065 0.000 1.048 719 K CA 1.838 58.078 56.287 -0.078 0.000 0.928 719 K CB -0.186 32.276 32.500 -0.063 0.000 0.713 719 K HN 0.799 nan 8.250 nan 0.000 0.442 720 Q N 0.418 120.174 119.800 -0.073 0.000 2.020 720 Q HA -0.170 4.171 4.340 0.002 0.000 0.202 720 Q C 1.922 177.906 176.000 -0.026 0.000 0.982 720 Q CA 1.691 57.465 55.803 -0.049 0.000 0.838 720 Q CB -0.158 28.548 28.738 -0.053 0.000 0.899 720 Q HN 0.345 nan 8.270 nan 0.000 0.423 721 D N 0.162 120.531 120.400 -0.051 0.000 2.126 721 D HA -0.178 4.463 4.640 0.002 0.000 0.190 721 D C 1.940 178.318 176.300 0.131 0.000 1.001 721 D CA 1.162 55.154 54.000 -0.013 0.000 0.841 721 D CB -0.361 40.274 40.800 -0.274 0.000 0.949 721 D HN 0.004 nan 8.370 nan 0.000 0.446 722 V N 1.056 121.049 119.914 0.131 0.000 2.219 722 V HA -0.264 3.857 4.120 0.002 0.000 0.248 722 V C 2.107 178.220 176.094 0.032 0.000 1.053 722 V CA 2.108 64.534 62.300 0.210 0.000 1.009 722 V CB -0.498 31.388 31.823 0.105 0.000 0.636 722 V HN 0.312 nan 8.190 nan 0.000 0.445 723 E N -0.254 119.937 120.200 -0.016 0.000 2.472 723 E HA -0.059 4.293 4.350 0.002 0.000 0.200 723 E C 1.987 178.550 176.600 -0.061 0.000 1.046 723 E CA 0.876 57.245 56.400 -0.051 0.000 0.871 723 E CB -0.148 29.523 29.700 -0.049 0.000 0.806 723 E HN 0.646 nan 8.360 nan 0.000 0.533 724 A N 1.217 123.995 122.820 -0.069 0.000 1.901 724 A HA 0.029 4.350 4.320 0.002 0.000 0.210 724 A C 2.063 179.443 177.584 -0.341 0.000 1.208 724 A CA -0.015 51.968 52.037 -0.090 0.000 0.644 724 A CB -0.475 18.547 19.000 0.037 0.000 0.863 724 A HN 0.205 nan 8.150 nan 0.000 0.454 725 L N 0.347 121.201 121.223 -0.615 0.000 1.997 725 L HA -0.228 4.113 4.340 0.002 0.000 0.216 725 L C 2.421 179.070 176.870 -0.367 0.000 1.074 725 L CA 2.024 56.349 54.840 -0.858 0.000 0.763 725 L CB -0.340 41.335 42.059 -0.640 0.000 0.890 725 L HN 0.250 nan 8.230 nan 0.000 0.434 726 V N 0.489 120.275 119.914 -0.214 0.000 2.453 726 V HA -0.318 3.803 4.120 0.002 0.000 0.252 726 V C 2.055 178.148 176.094 -0.003 0.000 1.068 726 V CA 2.148 64.392 62.300 -0.093 0.000 1.070 726 V CB -0.827 30.921 31.823 -0.125 0.000 0.664 726 V HN 0.576 nan 8.190 nan 0.000 0.461 727 N N -1.283 117.403 118.700 -0.023 0.000 2.376 727 N HA -0.085 4.656 4.740 0.002 0.000 0.177 727 N C 1.596 177.170 175.510 0.107 0.000 1.024 727 N CA 0.746 53.826 53.050 0.050 0.000 0.893 727 N CB -0.420 38.090 38.487 0.038 0.000 0.980 727 N HN 0.596 nan 8.380 nan 0.000 0.439 728 Y N 1.851 122.123 120.300 -0.046 0.000 2.181 728 Y HA 0.001 4.552 4.550 0.002 0.000 0.288 728 Y C 1.898 177.731 175.900 -0.112 0.000 1.146 728 Y CA 1.116 59.210 58.100 -0.010 0.000 1.164 728 Y CB -0.316 38.215 38.460 0.117 0.000 0.982 728 Y HN -0.040 nan 8.280 nan 0.000 0.515 729 I N -1.379 119.110 120.570 -0.135 0.000 2.315 729 I HA -0.326 3.846 4.170 0.002 0.000 0.248 729 I C 1.282 177.236 176.117 -0.272 0.000 1.117 729 I CA 1.670 62.796 61.300 -0.290 0.000 1.404 729 I CB -0.512 37.455 38.000 -0.054 0.000 1.071 729 I HN 0.176 nan 8.210 nan 0.000 0.419 730 Y N -0.182 120.025 120.300 -0.156 0.000 2.458 730 Y HA 0.124 4.676 4.550 0.002 0.000 0.256 730 Y C 0.566 176.436 175.900 -0.050 0.000 1.159 730 Y CA -0.672 57.383 58.100 -0.075 0.000 1.261 730 Y CB 0.250 38.698 38.460 -0.020 0.000 1.119 730 Y HN 0.028 nan 8.280 nan 0.000 0.524 731 D N 0.218 120.630 120.400 0.020 0.000 2.348 731 D HA -0.027 4.614 4.640 0.002 0.000 0.253 731 D C 1.448 177.730 176.300 -0.030 0.000 1.161 731 D CA 0.456 54.466 54.000 0.016 0.000 0.876 731 D CB 1.381 42.192 40.800 0.019 0.000 1.160 731 D HN 0.220 nan 8.370 nan 0.000 0.459 732 T N 2.224 116.789 114.554 0.018 0.000 2.812 732 T HA -0.119 4.232 4.350 0.002 0.000 0.264 732 T C 1.472 176.168 174.700 -0.008 0.000 1.042 732 T CA 1.265 63.373 62.100 0.012 0.000 1.140 732 T CB 0.017 68.912 68.868 0.045 0.000 0.870 732 T HN 0.324 nan 8.240 nan 0.000 0.445 733 K N 0.720 121.121 120.400 0.001 0.000 1.992 733 K HA 0.138 4.459 4.320 0.002 0.000 0.210 733 K C 2.113 178.708 176.600 -0.008 0.000 1.036 733 K CA 1.556 57.843 56.287 0.001 0.000 0.946 733 K CB -0.063 32.443 32.500 0.010 0.000 0.742 733 K HN 0.226 nan 8.250 nan 0.000 0.442 734 N N -0.235 118.467 118.700 0.003 0.000 2.282 734 N HA 0.075 4.817 4.740 0.002 0.000 0.185 734 N C 0.465 175.989 175.510 0.022 0.000 1.099 734 N CA 0.257 53.319 53.050 0.019 0.000 0.878 734 N CB 0.555 39.066 38.487 0.040 0.000 0.993 734 N HN 0.185 nan 8.380 nan 0.000 0.481 735 G N 0.360 109.130 108.800 -0.050 0.000 2.516 735 G HA2 0.305 4.266 3.960 0.002 0.000 0.276 735 G HA3 0.305 4.266 3.960 0.002 0.000 0.276 735 G C 0.642 175.247 174.900 -0.492 0.000 1.390 735 G CA -0.450 44.498 45.100 -0.254 0.000 1.050 735 G HN 0.262 nan 8.290 nan 0.000 0.519 736 L N -2.062 118.630 121.223 -0.885 0.000 2.818 736 L HA 0.454 4.795 4.340 0.002 0.000 0.243 736 L C 1.176 177.646 176.870 -0.667 0.000 1.185 736 L CA 0.362 54.709 54.840 -0.822 0.000 0.988 736 L CB -0.281 41.062 42.059 -1.193 0.000 1.292 736 L HN 0.856 nan 8.230 nan 0.000 0.519 737 G N 0.605 109.151 108.800 -0.424 0.000 2.450 737 G HA2 -0.267 3.694 3.960 0.002 0.000 0.302 737 G HA3 -0.267 3.694 3.960 0.002 0.000 0.302 737 G C -0.081 174.756 174.900 -0.106 0.000 0.957 737 G CA 0.484 45.465 45.100 -0.197 0.000 1.005 737 G HN 0.549 nan 8.290 nan 0.000 0.514 738 W N -0.729 120.279 121.300 -0.488 0.000 1.998 738 W HA 0.715 5.376 4.660 0.002 0.000 0.441 738 W C 0.427 176.473 176.519 -0.788 0.000 1.859 738 W CA -0.906 56.052 57.345 -0.646 0.000 2.071 738 W CB 0.513 29.532 29.460 -0.735 0.000 1.474 738 W HN 0.151 nan 8.180 nan 0.000 0.734 739 D N -0.095 120.064 120.400 -0.402 0.000 2.934 739 D HA 0.319 4.960 4.640 0.002 0.000 0.230 739 D C -1.330 174.881 176.300 -0.147 0.000 1.204 739 D CA -0.408 53.246 54.000 -0.576 0.000 0.873 739 D CB 1.530 41.945 40.800 -0.643 0.000 1.645 739 D HN 0.122 nan 8.370 nan 0.000 0.502 740 L N 2.880 124.082 121.223 -0.036 0.000 2.326 740 L HA 0.291 4.632 4.340 0.002 0.000 0.278 740 L C 0.897 177.828 176.870 0.102 0.000 1.092 740 L CA -0.412 54.496 54.840 0.114 0.000 0.810 740 L CB 1.203 43.377 42.059 0.192 0.000 1.153 740 L HN 0.418 nan 8.230 nan 0.000 0.439 741 D N 1.082 121.546 120.400 0.107 0.000 2.463 741 D HA 0.086 4.728 4.640 0.002 0.000 0.237 741 D C -0.467 175.752 176.300 -0.135 0.000 1.013 741 D CA 0.992 54.991 54.000 -0.001 0.000 0.910 741 D CB 0.555 41.392 40.800 0.062 0.000 1.080 741 D HN 0.286 nan 8.370 nan 0.000 0.498 742 Y N -0.189 120.131 120.300 0.033 0.000 2.499 742 Y HA 0.528 5.080 4.550 0.002 0.000 0.347 742 Y C -0.345 175.576 175.900 0.036 0.000 0.987 742 Y CA -1.006 57.110 58.100 0.027 0.000 1.044 742 Y CB 2.657 41.100 38.460 -0.030 0.000 1.245 742 Y HN -0.426 nan 8.280 nan 0.000 0.461 743 V N 3.374 123.401 119.914 0.188 0.000 2.525 743 V HA 0.375 4.496 4.120 0.002 0.000 0.299 743 V C -1.128 175.050 176.094 0.139 0.000 1.034 743 V CA -0.793 61.586 62.300 0.131 0.000 0.863 743 V CB 1.861 33.740 31.823 0.093 0.000 0.999 743 V HN 0.547 nan 8.190 nan 0.000 0.423 744 V N 7.695 127.690 119.914 0.134 0.000 2.276 744 V HA 0.327 4.448 4.120 0.002 0.000 0.268 744 V C -2.433 173.853 176.094 0.321 0.000 1.032 744 V CA -1.515 60.914 62.300 0.214 0.000 0.810 744 V CB 1.555 33.418 31.823 0.067 0.000 1.060 744 V HN 0.731 nan 8.190 nan 0.000 0.446 745 P HA 0.303 nan 4.420 nan 0.000 0.231 745 P C -0.042 177.369 177.300 0.186 0.000 1.811 745 P CA -0.111 63.097 63.100 0.181 0.000 1.051 745 P CB -0.210 31.519 31.700 0.048 0.000 1.951 746 F N 0.601 120.559 119.950 0.013 0.000 2.713 746 F HA 0.319 4.847 4.527 0.002 0.000 0.294 746 F C 1.381 177.199 175.800 0.029 0.000 1.152 746 F CA -1.043 56.967 58.000 0.016 0.000 1.385 746 F CB -0.709 38.297 39.000 0.009 0.000 0.981 746 F HN 0.093 nan 8.300 nan 0.000 0.514 747 A N 1.188 124.110 122.820 0.169 0.000 2.524 747 A HA 0.568 4.889 4.320 0.002 0.000 0.250 747 A C 0.357 177.987 177.584 0.076 0.000 1.078 747 A CA 0.594 52.707 52.037 0.126 0.000 0.761 747 A CB -0.397 18.681 19.000 0.130 0.000 1.012 747 A HN 0.415 nan 8.150 nan 0.000 0.500 748 A N 2.703 125.559 122.820 0.060 0.000 2.589 748 A HA 0.701 5.022 4.320 0.002 0.000 0.296 748 A C -0.909 176.675 177.584 0.000 0.000 1.062 748 A CA -0.429 51.624 52.037 0.026 0.000 0.686 748 A CB 0.979 19.986 19.000 0.011 0.000 1.282 748 A HN 0.774 nan 8.150 nan 0.000 0.404 749 I N 1.823 122.384 120.570 -0.016 0.000 2.465 749 I HA 0.371 4.542 4.170 0.002 0.000 0.291 749 I C -2.374 173.699 176.117 -0.073 0.000 1.014 749 I CA -2.182 59.099 61.300 -0.032 0.000 1.093 749 I CB 2.610 40.603 38.000 -0.012 0.000 1.267 749 I HN 0.364 nan 8.210 nan 0.000 0.431 750 P HA 0.076 nan 4.420 nan 0.000 0.267 750 P C -0.099 177.147 177.300 -0.091 0.000 1.328 750 P CA -0.023 63.005 63.100 -0.121 0.000 0.990 750 P CB 0.070 31.713 31.700 -0.095 0.000 1.168 751 E N 1.081 121.218 120.200 -0.105 0.000 2.465 751 E HA -0.013 4.338 4.350 0.002 0.000 0.191 751 E C 0.368 176.936 176.600 -0.054 0.000 1.053 751 E CA -0.528 55.842 56.400 -0.051 0.000 0.869 751 E CB -0.257 29.437 29.700 -0.010 0.000 0.977 751 E HN 0.277 nan 8.360 nan 0.000 0.483 752 N N 1.772 120.417 118.700 -0.092 0.000 2.036 752 N HA -0.165 4.577 4.740 0.002 0.000 0.288 752 N C 0.832 176.318 175.510 -0.039 0.000 1.293 752 N CA 1.878 54.881 53.050 -0.078 0.000 0.808 752 N CB 0.286 38.717 38.487 -0.093 0.000 1.040 752 N HN 0.373 nan 8.380 nan 0.000 0.489 753 G N 2.664 111.451 108.800 -0.022 0.000 2.205 753 G HA2 -0.169 3.793 3.960 0.002 0.000 0.180 753 G HA3 -0.169 3.793 3.960 0.002 0.000 0.180 753 G C -0.450 174.451 174.900 0.003 0.000 1.004 753 G CA 0.064 45.159 45.100 -0.008 0.000 0.670 753 G HN 0.883 nan 8.290 nan 0.000 0.496 754 R N 0.613 121.118 120.500 0.008 0.000 2.561 754 R HA 0.720 5.061 4.340 0.002 0.000 0.297 754 R C -0.580 175.731 176.300 0.019 0.000 0.969 754 R CA -0.943 55.165 56.100 0.013 0.000 0.879 754 R CB 1.904 32.212 30.300 0.013 0.000 1.178 754 R HN 0.297 nan 8.270 nan 0.000 0.445 755 E N 1.759 121.970 120.200 0.017 0.000 2.330 755 E HA 0.146 4.497 4.350 0.002 0.000 0.256 755 E C 1.177 177.785 176.600 0.014 0.000 1.146 755 E CA -0.643 55.769 56.400 0.019 0.000 0.945 755 E CB 1.192 30.902 29.700 0.017 0.000 1.182 755 E HN 0.722 nan 8.360 nan 0.000 0.480 756 I N -1.519 119.058 120.570 0.011 0.000 2.657 756 I HA -0.233 3.938 4.170 0.002 0.000 0.261 756 I C 1.536 177.655 176.117 0.004 0.000 1.212 756 I CA 1.173 62.477 61.300 0.006 0.000 1.453 756 I CB -0.190 37.812 38.000 0.004 0.000 1.092 756 I HN 0.428 nan 8.210 nan 0.000 0.452 757 D N 2.561 122.964 120.400 0.006 0.000 2.200 757 D HA -0.215 4.426 4.640 0.002 0.000 0.192 757 D C 0.532 176.834 176.300 0.003 0.000 1.008 757 D CA 2.000 56.002 54.000 0.004 0.000 0.872 757 D CB 0.003 40.807 40.800 0.006 0.000 0.923 757 D HN 0.675 nan 8.370 nan 0.000 0.447 758 S N -0.654 115.048 115.700 0.004 0.000 2.387 758 S HA 0.390 4.861 4.470 0.002 0.000 0.211 758 S C -0.555 174.049 174.600 0.008 0.000 1.055 758 S CA -0.860 57.342 58.200 0.004 0.000 1.133 758 S CB 0.276 63.479 63.200 0.005 0.000 1.235 758 S HN 0.015 nan 8.310 nan 0.000 0.425 759 I N 4.475 125.048 120.570 0.006 0.000 2.243 759 I HA 0.182 4.353 4.170 0.002 0.000 0.297 759 I C 0.726 176.852 176.117 0.015 0.000 1.161 759 I CA -0.068 61.240 61.300 0.013 0.000 1.298 759 I CB -0.291 37.716 38.000 0.011 0.000 1.475 759 I HN 0.686 nan 8.210 nan 0.000 0.561 760 D N 2.759 123.172 120.400 0.023 0.000 2.380 760 D HA -0.003 4.638 4.640 0.002 0.000 0.254 760 D C 1.479 177.806 176.300 0.046 0.000 1.288 760 D CA -0.090 53.925 54.000 0.026 0.000 1.008 760 D CB 0.290 41.106 40.800 0.027 0.000 1.099 760 D HN 0.242 nan 8.370 nan 0.000 0.537 761 S N -0.562 115.172 115.700 0.056 0.000 2.365 761 S HA -0.311 4.161 4.470 0.002 0.000 0.221 761 S C 1.782 176.474 174.600 0.153 0.000 1.037 761 S CA 2.296 60.560 58.200 0.108 0.000 1.060 761 S CB -0.538 62.735 63.200 0.121 0.000 0.974 761 S HN 0.580 nan 8.310 nan 0.000 0.427 762 K N 0.244 120.708 120.400 0.107 0.000 2.077 762 K HA -0.153 4.168 4.320 0.002 0.000 0.213 762 K C 2.269 178.931 176.600 0.102 0.000 1.051 762 K CA 2.033 58.374 56.287 0.090 0.000 0.929 762 K CB -0.508 32.022 32.500 0.050 0.000 0.715 762 K HN 0.458 nan 8.250 nan 0.000 0.451 763 S N 0.550 116.305 115.700 0.092 0.000 2.353 763 S HA -0.216 4.255 4.470 0.002 0.000 0.222 763 S C 1.852 176.547 174.600 0.157 0.000 1.035 763 S CA 1.723 59.983 58.200 0.100 0.000 1.025 763 S CB -0.369 62.874 63.200 0.072 0.000 0.902 763 S HN 0.462 nan 8.310 nan 0.000 0.440 764 E N 0.667 120.971 120.200 0.173 0.000 2.085 764 E HA -0.189 4.162 4.350 0.002 0.000 0.194 764 E C 2.046 178.837 176.600 0.319 0.000 0.994 764 E CA 1.031 57.570 56.400 0.232 0.000 0.801 764 E CB -0.196 29.599 29.700 0.158 0.000 0.743 764 E HN 0.320 nan 8.360 nan 0.000 0.453 765 L N 0.991 122.420 121.223 0.344 0.000 1.970 765 L HA -0.129 4.212 4.340 0.002 0.000 0.212 765 L C 2.309 179.233 176.870 0.089 0.000 1.071 765 L CA 2.516 57.461 54.840 0.174 0.000 0.751 765 L CB -1.254 40.841 42.059 0.060 0.000 0.889 765 L HN 0.167 nan 8.230 nan 0.000 0.432 766 A N -1.231 121.649 122.820 0.101 0.000 1.903 766 A HA -0.365 3.956 4.320 0.002 0.000 0.219 766 A C 2.469 180.142 177.584 0.149 0.000 1.191 766 A CA 2.167 54.260 52.037 0.092 0.000 0.638 766 A CB -1.441 17.611 19.000 0.087 0.000 0.823 766 A HN 0.822 nan 8.150 nan 0.000 0.451 767 H N -1.189 117.924 119.070 0.070 0.000 2.491 767 H HA -0.039 4.519 4.556 0.002 0.000 0.290 767 H C 2.307 177.666 175.328 0.052 0.000 1.050 767 H CA 1.165 57.250 56.048 0.062 0.000 1.309 767 H CB 0.025 29.825 29.762 0.064 0.000 1.392 767 H HN 0.522 nan 8.280 nan 0.000 0.554 768 R N 0.425 120.924 120.500 -0.001 0.000 2.119 768 R HA -0.014 4.327 4.340 0.002 0.000 0.222 768 R C 2.245 178.510 176.300 -0.058 0.000 1.088 768 R CA 0.805 56.857 56.100 -0.079 0.000 0.984 768 R CB 0.113 30.416 30.300 0.004 0.000 0.884 768 R HN 0.334 nan 8.270 nan 0.000 0.447 769 I N 0.159 120.716 120.570 -0.022 0.000 2.286 769 I HA -0.238 3.933 4.170 0.002 0.000 0.245 769 I C 2.182 178.306 176.117 0.012 0.000 1.104 769 I CA 1.303 62.592 61.300 -0.018 0.000 1.397 769 I CB -0.096 37.897 38.000 -0.011 0.000 1.072 769 I HN 0.244 nan 8.210 nan 0.000 0.417 770 M N -0.593 119.033 119.600 0.044 0.000 2.447 770 M HA -0.071 4.410 4.480 0.002 0.000 0.264 770 M C 1.709 178.032 176.300 0.038 0.000 1.095 770 M CA 1.275 56.610 55.300 0.058 0.000 1.125 770 M CB 0.335 33.004 32.600 0.115 0.000 1.389 770 M HN 0.237 nan 8.290 nan 0.000 0.459 771 L N -1.836 119.400 121.223 0.021 0.000 2.862 771 L HA 0.168 4.509 4.340 0.002 0.000 0.169 771 L C 2.101 178.923 176.870 -0.080 0.000 1.164 771 L CA 1.074 55.904 54.840 -0.017 0.000 0.858 771 L CB -0.841 41.250 42.059 0.053 0.000 1.329 771 L HN 0.164 nan 8.230 nan 0.000 0.514 772 T N -0.941 113.526 114.554 -0.145 0.000 2.788 772 T HA -0.096 4.255 4.350 0.002 0.000 0.268 772 T C 1.535 176.186 174.700 -0.082 0.000 1.044 772 T CA 1.792 63.820 62.100 -0.119 0.000 1.139 772 T CB -0.561 68.225 68.868 -0.136 0.000 0.867 772 T HN 0.272 nan 8.240 nan 0.000 0.454 773 N N 0.596 119.255 118.700 -0.067 0.000 2.415 773 N HA 0.253 4.994 4.740 0.002 0.000 0.176 773 N C 1.664 177.157 175.510 -0.028 0.000 1.042 773 N CA 0.120 53.144 53.050 -0.044 0.000 0.902 773 N CB -0.362 38.102 38.487 -0.039 0.000 0.986 773 N HN 0.311 nan 8.380 nan 0.000 0.447 774 L N 0.426 121.629 121.223 -0.033 0.000 2.017 774 L HA -0.059 4.283 4.340 0.002 0.000 0.208 774 L C 1.814 178.640 176.870 -0.075 0.000 1.073 774 L CA 1.038 55.857 54.840 -0.036 0.000 0.745 774 L CB -0.139 41.896 42.059 -0.040 0.000 0.894 774 L HN 0.125 nan 8.230 nan 0.000 0.432 775 L N -0.826 120.340 121.223 -0.095 0.000 2.131 775 L HA -0.213 4.129 4.340 0.002 0.000 0.210 775 L C 2.731 179.509 176.870 -0.153 0.000 1.092 775 L CA 1.101 55.857 54.840 -0.140 0.000 0.759 775 L CB -0.403 41.580 42.059 -0.127 0.000 0.903 775 L HN 0.237 nan 8.230 nan 0.000 0.435 776 R N -0.498 119.937 120.500 -0.109 0.000 2.119 776 R HA -0.074 4.267 4.340 0.002 0.000 0.222 776 R C 2.253 178.493 176.300 -0.100 0.000 1.088 776 R CA 0.729 56.767 56.100 -0.104 0.000 0.984 776 R CB -0.147 30.109 30.300 -0.074 0.000 0.884 776 R HN 0.336 nan 8.270 nan 0.000 0.447 777 L N 1.074 122.253 121.223 -0.073 0.000 1.994 777 L HA -0.206 4.135 4.340 0.002 0.000 0.208 777 L C 2.132 178.941 176.870 -0.102 0.000 1.071 777 L CA 1.440 56.241 54.840 -0.064 0.000 0.745 777 L CB -0.262 41.781 42.059 -0.027 0.000 0.892 777 L HN 0.176 nan 8.230 nan 0.000 0.431 778 L N -0.583 120.567 121.223 -0.123 0.000 1.990 778 L HA -0.215 4.126 4.340 0.002 0.000 0.213 778 L C 2.665 179.407 176.870 -0.213 0.000 1.072 778 L CA 1.600 56.343 54.840 -0.161 0.000 0.755 778 L CB -1.677 40.246 42.059 -0.226 0.000 0.889 778 L HN 0.414 nan 8.230 nan 0.000 0.432 779 G N -0.377 108.273 108.800 -0.251 0.000 2.505 779 G HA2 -0.296 3.666 3.960 0.002 0.000 0.220 779 G HA3 -0.296 3.666 3.960 0.002 0.000 0.220 779 G C 1.739 176.517 174.900 -0.204 0.000 1.145 779 G CA 1.112 46.058 45.100 -0.256 0.000 0.761 779 G HN 0.513 nan 8.290 nan 0.000 0.571 780 A N 0.906 123.621 122.820 -0.174 0.000 1.855 780 A HA 0.078 4.399 4.320 0.002 0.000 0.215 780 A C 2.406 179.849 177.584 -0.236 0.000 1.191 780 A CA 1.291 53.221 52.037 -0.178 0.000 0.613 780 A CB -0.372 18.542 19.000 -0.144 0.000 0.829 780 A HN 0.362 nan 8.150 nan 0.000 0.442 781 I N -0.146 120.297 120.570 -0.211 0.000 2.145 781 I HA -0.335 3.837 4.170 0.002 0.000 0.244 781 I C 2.622 178.591 176.117 -0.248 0.000 1.075 781 I CA 1.974 63.130 61.300 -0.240 0.000 1.332 781 I CB -0.520 37.436 38.000 -0.073 0.000 1.033 781 I HN 0.373 nan 8.210 nan 0.000 0.410 782 K N 1.505 121.795 120.400 -0.183 0.000 1.977 782 K HA -0.223 4.099 4.320 0.002 0.000 0.218 782 K C 2.104 178.509 176.600 -0.325 0.000 1.051 782 K CA 2.895 59.068 56.287 -0.191 0.000 0.953 782 K CB -0.731 31.668 32.500 -0.168 0.000 0.727 782 K HN 0.430 nan 8.250 nan 0.000 0.445 783 T N 0.909 115.290 114.554 -0.289 0.000 2.778 783 T HA -0.162 4.189 4.350 0.002 0.000 0.269 783 T C 1.997 176.550 174.700 -0.246 0.000 1.050 783 T CA 1.032 62.972 62.100 -0.266 0.000 1.137 783 T CB -0.199 68.553 68.868 -0.194 0.000 0.860 783 T HN 0.204 nan 8.240 nan 0.000 0.468 784 Q N 1.634 121.251 119.800 -0.304 0.000 2.002 784 Q HA -0.084 4.258 4.340 0.002 0.000 0.204 784 Q C 2.414 178.330 176.000 -0.139 0.000 0.988 784 Q CA 1.768 57.365 55.803 -0.343 0.000 0.843 784 Q CB -0.357 27.863 28.738 -0.863 0.000 0.908 784 Q HN 0.623 nan 8.270 nan 0.000 0.420 785 K N 0.570 120.909 120.400 -0.101 0.000 2.009 785 K HA -0.187 4.135 4.320 0.002 0.000 0.210 785 K C 2.163 178.832 176.600 0.115 0.000 1.049 785 K CA 1.472 57.892 56.287 0.222 0.000 0.929 785 K CB -0.218 32.459 32.500 0.295 0.000 0.714 785 K HN 0.075 nan 8.250 nan 0.000 0.440 786 K N 1.419 121.677 120.400 -0.236 0.000 2.074 786 K HA -0.240 4.082 4.320 0.002 0.000 0.209 786 K C 1.796 178.363 176.600 -0.055 0.000 1.048 786 K CA 1.882 58.008 56.287 -0.267 0.000 0.926 786 K CB 0.071 32.261 32.500 -0.517 0.000 0.713 786 K HN 0.200 nan 8.250 nan 0.000 0.444 787 E N -0.218 119.946 120.200 -0.061 0.000 2.072 787 E HA -0.105 4.246 4.350 0.002 0.000 0.190 787 E C 1.735 178.333 176.600 -0.004 0.000 0.982 787 E CA 0.786 57.168 56.400 -0.029 0.000 0.803 787 E CB 0.095 29.772 29.700 -0.038 0.000 0.755 787 E HN 0.258 nan 8.360 nan 0.000 0.453 788 R N 0.000 120.523 120.500 0.037 0.000 2.319 788 R HA 0.068 4.409 4.340 0.002 0.000 0.204 788 R C 0.974 177.137 176.300 -0.228 0.000 0.954 788 R CA 0.469 56.547 56.100 -0.036 0.000 1.066 788 R CB 0.188 30.582 30.300 0.156 0.000 0.991 788 R HN 0.251 nan 8.270 nan 0.000 0.486 789 G N 0.660 109.421 108.800 -0.065 0.000 2.166 789 G HA2 -0.321 3.640 3.960 0.002 0.000 0.260 789 G HA3 -0.321 3.640 3.960 0.002 0.000 0.260 789 G C -0.267 174.621 174.900 -0.020 0.000 0.986 789 G CA 0.026 45.097 45.100 -0.048 0.000 0.683 789 G HN 0.389 nan 8.290 nan 0.000 0.527 790 Y N 1.382 121.780 120.300 0.164 0.000 2.517 790 Y HA 0.297 4.849 4.550 0.002 0.000 0.341 790 Y C 1.658 177.691 175.900 0.223 0.000 1.247 790 Y CA 0.124 58.334 58.100 0.184 0.000 1.774 790 Y CB 0.248 38.842 38.460 0.224 0.000 1.641 790 Y HN 0.246 nan 8.280 nan 0.000 0.457 791 E N 0.451 120.803 120.200 0.252 0.000 2.110 791 E HA -0.046 4.306 4.350 0.002 0.000 0.193 791 E C 1.529 178.155 176.600 0.042 0.000 0.950 791 E CA 1.180 57.657 56.400 0.129 0.000 0.840 791 E CB -0.043 29.699 29.700 0.070 0.000 0.809 791 E HN 0.537 nan 8.360 nan 0.000 0.465 792 T N -0.367 114.233 114.554 0.077 0.000 3.366 792 T HA 0.226 4.577 4.350 0.002 0.000 0.249 792 T C 0.729 175.471 174.700 0.070 0.000 1.028 792 T CA -0.143 61.987 62.100 0.050 0.000 0.938 792 T CB -0.030 68.869 68.868 0.051 0.000 1.046 792 T HN -0.173 nan 8.240 nan 0.000 0.587 793 R N 1.749 122.307 120.500 0.098 0.000 2.734 793 R HA 0.320 4.662 4.340 0.002 0.000 0.268 793 R C -3.298 173.063 176.300 0.101 0.000 1.785 793 R CA -1.549 54.606 56.100 0.092 0.000 1.461 793 R CB 1.284 31.648 30.300 0.107 0.000 1.308 793 R HN 0.211 nan 8.270 nan 0.000 0.586 794 P HA 0.147 nan 4.420 nan 0.000 0.272 794 P C -1.073 176.277 177.300 0.083 0.000 1.223 794 P CA -0.218 62.945 63.100 0.105 0.000 0.784 794 P CB 1.018 32.781 31.700 0.105 0.000 0.923 795 A N 1.858 124.750 122.820 0.121 0.000 2.288 795 A HA 0.337 4.658 4.320 0.002 0.000 0.320 795 A C -0.247 177.374 177.584 0.062 0.000 1.217 795 A CA -0.563 51.517 52.037 0.072 0.000 0.840 795 A CB 0.324 19.396 19.000 0.121 0.000 1.179 795 A HN 0.543 nan 8.150 nan 0.000 0.504 796 Q N 2.140 121.909 119.800 -0.051 0.000 2.279 796 Q HA 0.491 4.832 4.340 0.002 0.000 0.256 796 Q C -1.349 174.678 176.000 0.045 0.000 0.937 796 Q CA -0.262 55.524 55.803 -0.028 0.000 0.933 796 Q CB 0.969 29.612 28.738 -0.159 0.000 1.189 796 Q HN 0.519 nan 8.270 nan 0.000 0.417 797 V N 6.296 126.257 119.914 0.079 0.000 2.313 797 V HA 0.210 4.331 4.120 0.002 0.000 0.278 797 V C 0.094 176.222 176.094 0.057 0.000 1.017 797 V CA -0.698 61.650 62.300 0.080 0.000 0.823 797 V CB 1.116 32.985 31.823 0.078 0.000 1.010 797 V HN 0.732 nan 8.190 nan 0.000 0.443 798 I N 5.405 126.030 120.570 0.093 0.000 2.382 798 I HA 0.095 4.266 4.170 0.002 0.000 0.297 798 I C 0.467 176.593 176.117 0.015 0.000 1.172 798 I CA -0.031 61.320 61.300 0.086 0.000 1.825 798 I CB -0.323 37.791 38.000 0.191 0.000 1.509 798 I HN 0.391 nan 8.210 nan 0.000 0.842 799 L N 7.103 128.273 121.223 -0.089 0.000 2.654 799 L HA 0.052 4.393 4.340 0.002 0.000 0.271 799 L C -1.836 174.876 176.870 -0.264 0.000 1.169 799 L CA -0.682 54.041 54.840 -0.195 0.000 0.947 799 L CB 0.003 41.897 42.059 -0.276 0.000 1.232 799 L HN 0.175 nan 8.230 nan 0.000 0.486 800 P HA 0.208 nan 4.420 nan 0.000 0.260 800 P C -0.219 176.890 177.300 -0.319 0.000 1.651 800 P CA -0.131 62.699 63.100 -0.450 0.000 1.139 800 P CB 0.210 31.404 31.700 -0.843 0.000 1.756 801 L N 0.321 121.374 121.223 -0.283 0.000 2.490 801 L HA 0.601 4.942 4.340 0.002 0.000 0.245 801 L C 0.931 177.685 176.870 -0.193 0.000 1.185 801 L CA -0.468 54.228 54.840 -0.241 0.000 0.813 801 L CB 0.248 42.142 42.059 -0.276 0.000 1.233 801 L HN 0.169 nan 8.230 nan 0.000 0.489 802 S N -1.597 114.001 115.700 -0.170 0.000 2.570 802 S HA 0.539 5.010 4.470 0.002 0.000 0.286 802 S C -2.249 172.192 174.600 -0.265 0.000 1.099 802 S CA -1.255 56.830 58.200 -0.191 0.000 0.913 802 S CB 1.872 64.934 63.200 -0.229 0.000 1.085 802 S HN 0.332 nan 8.310 nan 0.000 0.480 803 P HA 0.190 nan 4.420 nan 0.000 0.227 803 P C -0.492 176.610 177.300 -0.330 0.000 1.161 803 P CA 0.486 63.480 63.100 -0.176 0.000 0.788 803 P CB 0.068 31.756 31.700 -0.020 0.000 0.822 804 N N 0.631 119.136 118.700 -0.325 0.000 2.936 804 N HA 0.082 4.823 4.740 0.002 0.000 0.243 804 N C -0.460 174.930 175.510 -0.200 0.000 1.149 804 N CA -0.215 52.746 53.050 -0.147 0.000 0.914 804 N CB -0.085 38.499 38.487 0.162 0.000 1.179 804 N HN 0.237 nan 8.380 nan 0.000 0.502 805 H N 0.666 119.754 119.070 0.030 0.000 3.220 805 H HA 0.176 4.733 4.556 0.002 0.000 0.225 805 H C 1.263 176.603 175.328 0.019 0.000 1.869 805 H CA 0.060 56.101 56.048 -0.011 0.000 1.428 805 H CB -0.360 29.398 29.762 -0.007 0.000 1.792 805 H HN 0.746 nan 8.280 nan 0.000 0.595 806 G N 2.007 110.874 108.800 0.110 0.000 2.137 806 G HA2 -0.374 3.588 3.960 0.002 0.000 0.237 806 G HA3 -0.374 3.588 3.960 0.002 0.000 0.237 806 G C 1.325 176.281 174.900 0.094 0.000 1.002 806 G CA 0.663 45.825 45.100 0.103 0.000 0.702 806 G HN 0.598 nan 8.290 nan 0.000 0.515 807 T N -2.706 111.914 114.554 0.109 0.000 2.978 807 T HA 0.393 4.744 4.350 0.002 0.000 0.262 807 T C 1.070 175.721 174.700 -0.082 0.000 1.063 807 T CA 0.704 62.811 62.100 0.012 0.000 1.140 807 T CB 0.073 68.940 68.868 -0.002 0.000 0.886 807 T HN 0.279 nan 8.240 nan 0.000 0.470 808 F N 1.632 121.583 119.950 0.001 0.000 2.378 808 F HA 0.656 5.184 4.527 0.002 0.000 0.325 808 F C 1.306 177.109 175.800 0.005 0.000 1.097 808 F CA -0.777 57.221 58.000 -0.004 0.000 1.079 808 F CB 0.899 39.888 39.000 -0.018 0.000 1.240 808 F HN 0.193 nan 8.300 nan 0.000 0.519 809 G N 0.365 109.275 108.800 0.185 0.000 2.451 809 G HA2 0.353 4.314 3.960 0.002 0.000 0.303 809 G HA3 0.353 4.314 3.960 0.002 0.000 0.303 809 G C -0.318 174.644 174.900 0.104 0.000 1.166 809 G CA -0.605 44.560 45.100 0.108 0.000 0.884 809 G HN 0.743 nan 8.290 nan 0.000 0.514 810 N N -0.485 118.256 118.700 0.068 0.000 2.878 810 N HA -0.161 4.580 4.740 0.002 0.000 0.247 810 N C 0.718 176.257 175.510 0.048 0.000 1.021 810 N CA 1.262 54.339 53.050 0.046 0.000 0.873 810 N CB -0.835 37.671 38.487 0.031 0.000 1.128 810 N HN 0.607 nan 8.380 nan 0.000 0.571 811 D N 0.461 120.912 120.400 0.085 0.000 2.133 811 D HA 0.020 4.662 4.640 0.002 0.000 0.195 811 D C 1.471 177.832 176.300 0.101 0.000 0.997 811 D CA 1.928 56.006 54.000 0.129 0.000 0.840 811 D CB -0.630 40.286 40.800 0.193 0.000 0.947 811 D HN 0.623 nan 8.370 nan 0.000 0.452 812 G N 1.145 109.985 108.800 0.066 0.000 2.342 812 G HA2 -0.233 3.728 3.960 0.002 0.000 0.267 812 G HA3 -0.233 3.728 3.960 0.002 0.000 0.267 812 G C 0.557 175.486 174.900 0.049 0.000 0.922 812 G CA 0.177 45.303 45.100 0.044 0.000 1.342 812 G HN 0.356 nan 8.290 nan 0.000 0.430 813 L N -1.451 119.781 121.223 0.015 0.000 5.081 813 L HA -0.280 4.061 4.340 0.002 0.000 0.423 813 L C 1.819 178.679 176.870 -0.017 0.000 1.019 813 L CA 2.564 57.372 54.840 -0.053 0.000 1.223 813 L CB -2.028 40.012 42.059 -0.032 0.000 1.940 813 L HN 0.891 nan 8.230 nan 0.000 0.675 814 Y N 1.578 121.835 120.300 -0.073 0.000 2.117 814 Y HA -0.185 4.366 4.550 0.002 0.000 0.277 814 Y C 2.472 178.336 175.900 -0.061 0.000 1.104 814 Y CA 2.413 60.476 58.100 -0.061 0.000 1.089 814 Y CB -0.757 37.670 38.460 -0.056 0.000 0.999 814 Y HN 0.326 nan 8.280 nan 0.000 0.480 815 S N 0.461 115.953 115.700 -0.345 0.000 2.381 815 S HA -0.317 4.154 4.470 0.002 0.000 0.230 815 S C 1.691 176.153 174.600 -0.229 0.000 1.052 815 S CA 1.815 59.796 58.200 -0.365 0.000 1.068 815 S CB -0.827 62.311 63.200 -0.103 0.000 0.918 815 S HN 0.546 nan 8.310 nan 0.000 0.448 816 E N 1.792 121.884 120.200 -0.180 0.000 2.118 816 E HA -0.074 4.277 4.350 0.002 0.000 0.195 816 E C 2.408 178.894 176.600 -0.192 0.000 0.992 816 E CA 1.460 57.750 56.400 -0.184 0.000 0.804 816 E CB -0.515 29.036 29.700 -0.248 0.000 0.741 816 E HN 0.683 nan 8.360 nan 0.000 0.458 817 S N 0.534 116.106 115.700 -0.215 0.000 2.338 817 S HA -0.084 4.387 4.470 0.002 0.000 0.218 817 S C 1.722 176.274 174.600 -0.080 0.000 1.032 817 S CA 0.808 58.985 58.200 -0.038 0.000 0.999 817 S CB -0.140 63.115 63.200 0.093 0.000 0.905 817 S HN 0.077 nan 8.310 nan 0.000 0.439 818 K N 1.262 121.539 120.400 -0.204 0.000 2.103 818 K HA 0.032 4.353 4.320 0.002 0.000 0.207 818 K C 2.114 178.650 176.600 -0.107 0.000 1.048 818 K CA 0.764 56.923 56.287 -0.213 0.000 0.930 818 K CB -0.854 31.403 32.500 -0.405 0.000 0.716 818 K HN 0.307 nan 8.250 nan 0.000 0.444 819 L N 0.836 122.023 121.223 -0.061 0.000 2.072 819 L HA -0.029 4.312 4.340 0.002 0.000 0.205 819 L C 2.177 179.004 176.870 -0.072 0.000 1.079 819 L CA 1.750 56.551 54.840 -0.065 0.000 0.752 819 L CB -0.628 41.356 42.059 -0.125 0.000 0.906 819 L HN 0.121 nan 8.230 nan 0.000 0.436 820 A N -0.336 122.454 122.820 -0.049 0.000 1.940 820 A HA -0.202 4.120 4.320 0.002 0.000 0.219 820 A C 2.277 179.840 177.584 -0.036 0.000 1.176 820 A CA 1.948 53.976 52.037 -0.015 0.000 0.631 820 A CB -0.999 18.023 19.000 0.037 0.000 0.814 820 A HN 0.518 nan 8.150 nan 0.000 0.446 821 L N -0.456 120.722 121.223 -0.075 0.000 2.081 821 L HA -0.250 4.091 4.340 0.002 0.000 0.212 821 L C 2.345 179.100 176.870 -0.192 0.000 1.080 821 L CA 1.746 56.508 54.840 -0.131 0.000 0.754 821 L CB -0.573 41.381 42.059 -0.175 0.000 0.893 821 L HN 0.519 nan 8.230 nan 0.000 0.433 822 E N -0.781 119.311 120.200 -0.179 0.000 2.472 822 E HA -0.155 4.197 4.350 0.002 0.000 0.200 822 E C 1.888 178.484 176.600 -0.006 0.000 1.046 822 E CA 1.292 57.564 56.400 -0.213 0.000 0.871 822 E CB -0.076 29.620 29.700 -0.008 0.000 0.806 822 E HN 0.634 nan 8.360 nan 0.000 0.533 823 T N -0.841 113.730 114.554 0.029 0.000 3.007 823 T HA -0.065 4.286 4.350 0.002 0.000 0.270 823 T C 1.911 176.708 174.700 0.163 0.000 1.107 823 T CA 0.359 62.533 62.100 0.123 0.000 1.118 823 T CB -0.179 68.748 68.868 0.098 0.000 0.889 823 T HN 0.096 nan 8.240 nan 0.000 0.506 824 L N -0.513 120.753 121.223 0.071 0.000 2.083 824 L HA 0.054 4.395 4.340 0.002 0.000 0.209 824 L C 2.464 179.490 176.870 0.261 0.000 1.083 824 L CA 1.390 56.338 54.840 0.181 0.000 0.752 824 L CB -0.671 41.412 42.059 0.041 0.000 0.899 824 L HN 0.221 nan 8.230 nan 0.000 0.433 825 F N 0.324 120.384 119.950 0.183 0.000 2.115 825 F HA -0.340 4.188 4.527 0.002 0.000 0.300 825 F C 2.145 178.062 175.800 0.196 0.000 1.092 825 F CA 1.572 59.683 58.000 0.185 0.000 1.245 825 F CB -0.243 38.944 39.000 0.313 0.000 0.995 825 F HN 0.259 nan 8.300 nan 0.000 0.481 826 N N -0.657 118.311 118.700 0.448 0.000 2.336 826 N HA 0.008 4.749 4.740 0.002 0.000 0.177 826 N C 1.526 177.212 175.510 0.293 0.000 1.018 826 N CA 0.329 53.618 53.050 0.398 0.000 0.878 826 N CB -0.175 38.516 38.487 0.339 0.000 0.997 826 N HN 0.027 nan 8.380 nan 0.000 0.433 827 R N -0.507 120.162 120.500 0.282 0.000 2.139 827 R HA -0.169 4.172 4.340 0.002 0.000 0.243 827 R C 1.592 177.850 176.300 -0.069 0.000 1.145 827 R CA 1.266 57.528 56.100 0.271 0.000 0.976 827 R CB -0.363 30.271 30.300 0.556 0.000 0.866 827 R HN 0.394 nan 8.270 nan 0.000 0.449 828 W N 0.436 121.466 121.300 -0.451 0.000 2.325 828 W HA -0.272 4.390 4.660 0.002 0.000 0.299 828 W C 1.303 177.402 176.519 -0.699 0.000 1.215 828 W CA 1.647 58.395 57.345 -0.995 0.000 1.244 828 W CB -0.212 28.813 29.460 -0.724 0.000 1.140 828 W HN 0.134 nan 8.180 nan 0.000 0.523 829 Y N -0.683 119.655 120.300 0.063 0.000 2.269 829 Y HA -0.159 4.393 4.550 0.002 0.000 0.294 829 Y C 2.881 178.723 175.900 -0.097 0.000 1.120 829 Y CA 1.219 59.344 58.100 0.042 0.000 1.159 829 Y CB -0.709 37.837 38.460 0.144 0.000 1.024 829 Y HN -0.079 nan 8.280 nan 0.000 0.532 830 S N -0.516 115.232 115.700 0.081 0.000 2.371 830 S HA -0.010 4.461 4.470 0.002 0.000 0.221 830 S C 0.656 175.247 174.600 -0.015 0.000 1.036 830 S CA 0.096 58.327 58.200 0.052 0.000 0.965 830 S CB -0.334 62.927 63.200 0.101 0.000 0.845 830 S HN 0.291 nan 8.310 nan 0.000 0.475 831 E N 1.428 121.589 120.200 -0.064 0.000 2.385 831 E HA 0.363 4.714 4.350 0.002 0.000 0.254 831 E C 0.301 176.781 176.600 -0.201 0.000 1.228 831 E CA 0.154 56.544 56.400 -0.017 0.000 0.956 831 E CB 0.605 30.494 29.700 0.315 0.000 1.116 831 E HN 0.440 nan 8.360 nan 0.000 0.507 832 S N 0.562 116.266 115.700 0.007 0.000 2.573 832 S HA 0.062 4.534 4.470 0.002 0.000 0.244 832 S C 0.202 174.867 174.600 0.107 0.000 0.984 832 S CA -0.769 57.428 58.200 -0.006 0.000 1.001 832 S CB -0.164 63.079 63.200 0.072 0.000 0.788 832 S HN 0.656 nan 8.310 nan 0.000 0.456 833 W N -0.056 121.208 121.300 -0.059 0.000 3.123 833 W HA 0.513 5.175 4.660 0.002 0.000 0.383 833 W C 0.966 177.368 176.519 -0.195 0.000 1.102 833 W CA -0.526 56.840 57.345 0.036 0.000 1.865 833 W CB -1.192 28.275 29.460 0.012 0.000 1.111 833 W HN 0.292 nan 8.180 nan 0.000 0.621 834 G N 3.245 111.577 108.800 -0.780 0.000 2.574 834 G HA2 -0.420 3.541 3.960 0.002 0.000 0.220 834 G HA3 -0.420 3.541 3.960 0.002 0.000 0.220 834 G C 1.484 175.960 174.900 -0.706 0.000 1.173 834 G CA 1.768 46.058 45.100 -1.350 0.000 0.772 834 G HN 0.165 nan 8.290 nan 0.000 0.585 835 N N -0.078 118.333 118.700 -0.482 0.000 2.188 835 N HA -0.050 4.691 4.740 0.002 0.000 0.184 835 N C 1.923 177.228 175.510 -0.342 0.000 1.018 835 N CA 1.255 54.023 53.050 -0.471 0.000 0.858 835 N CB -0.360 37.659 38.487 -0.780 0.000 0.989 835 N HN 0.568 nan 8.380 nan 0.000 0.426 836 Y N -0.359 119.982 120.300 0.069 0.000 2.389 836 Y HA 0.239 4.790 4.550 0.002 0.000 0.292 836 Y C 0.402 176.407 175.900 0.175 0.000 1.117 836 Y CA -0.111 58.064 58.100 0.125 0.000 1.195 836 Y CB 0.198 38.729 38.460 0.118 0.000 1.076 836 Y HN -0.108 nan 8.280 nan 0.000 0.548 837 L N 0.458 121.930 121.223 0.415 0.000 2.346 837 L HA 0.467 4.808 4.340 0.002 0.000 0.274 837 L C 0.032 177.245 176.870 0.572 0.000 1.007 837 L CA -0.883 54.225 54.840 0.447 0.000 0.818 837 L CB 1.671 44.048 42.059 0.530 0.000 1.284 837 L HN 0.079 nan 8.230 nan 0.000 0.424 838 T N 0.784 115.628 114.554 0.483 0.000 2.887 838 T HA 0.781 5.132 4.350 0.002 0.000 0.288 838 T C -0.253 174.608 174.700 0.269 0.000 1.021 838 T CA -0.621 61.781 62.100 0.503 0.000 1.000 838 T CB 1.234 70.248 68.868 0.244 0.000 1.034 838 T HN 0.307 nan 8.240 nan 0.000 0.467 839 I N 1.954 122.584 120.570 0.100 0.000 2.354 839 I HA 0.418 4.589 4.170 0.002 0.000 0.292 839 I C -0.027 176.087 176.117 -0.005 0.000 0.989 839 I CA -0.904 60.439 61.300 0.071 0.000 1.188 839 I CB 1.606 39.670 38.000 0.107 0.000 1.342 839 I HN 0.835 nan 8.210 nan 0.000 0.457 840 C N 6.155 125.451 119.300 -0.006 0.000 2.816 840 C HA 0.550 5.011 4.460 0.002 0.000 0.255 840 C C 0.888 175.835 174.990 -0.072 0.000 1.141 840 C CA -0.560 58.447 59.018 -0.018 0.000 1.554 840 C CB -0.945 26.787 27.740 -0.013 0.000 1.778 840 C HN 0.964 nan 8.230 nan 0.000 0.429 841 G N 3.695 112.459 108.800 -0.061 0.000 2.248 841 G HA2 0.444 4.405 3.960 0.002 0.000 0.260 841 G HA3 0.444 4.405 3.960 0.002 0.000 0.260 841 G C 0.293 175.016 174.900 -0.295 0.000 1.214 841 G CA 0.462 45.415 45.100 -0.245 0.000 0.979 841 G HN 1.507 nan 8.290 nan 0.000 0.454 842 A N 3.433 126.091 122.820 -0.271 0.000 2.536 842 A HA 0.469 4.790 4.320 0.002 0.000 0.329 842 A C 0.143 177.590 177.584 -0.228 0.000 1.321 842 A CA -0.590 51.314 52.037 -0.221 0.000 0.804 842 A CB 1.173 20.104 19.000 -0.114 0.000 1.126 842 A HN 1.501 nan 8.150 nan 0.000 0.480 843 V N 5.757 125.513 119.914 -0.264 0.000 2.382 843 V HA 0.201 4.323 4.120 0.002 0.000 0.250 843 V C 0.191 176.213 176.094 -0.119 0.000 1.069 843 V CA 0.070 62.259 62.300 -0.185 0.000 1.130 843 V CB -1.229 30.517 31.823 -0.130 0.000 1.165 843 V HN 0.557 nan 8.190 nan 0.000 0.483 844 I N 6.746 127.248 120.570 -0.112 0.000 2.710 844 I HA 0.334 4.505 4.170 0.002 0.000 0.286 844 I C 1.303 177.381 176.117 -0.065 0.000 1.181 844 I CA 1.040 62.288 61.300 -0.087 0.000 1.430 844 I CB 0.404 38.382 38.000 -0.038 0.000 1.367 844 I HN 0.648 nan 8.210 nan 0.000 0.577 845 G N 4.965 113.709 108.800 -0.093 0.000 2.613 845 G HA2 0.174 4.135 3.960 0.002 0.000 0.303 845 G HA3 0.174 4.135 3.960 0.002 0.000 0.303 845 G C -1.191 173.801 174.900 0.154 0.000 1.312 845 G CA -0.554 44.565 45.100 0.033 0.000 1.036 845 G HN 0.646 nan 8.290 nan 0.000 0.513 846 W N 1.665 123.012 121.300 0.077 0.000 2.534 846 W HA 0.240 4.902 4.660 0.002 0.000 0.340 846 W C -0.649 175.965 176.519 0.159 0.000 1.352 846 W CA 0.073 57.480 57.345 0.102 0.000 1.305 846 W CB -0.578 28.966 29.460 0.141 0.000 1.299 846 W HN 0.176 nan 8.180 nan 0.000 0.572 847 T N 8.179 123.047 114.554 0.524 0.000 3.064 847 T HA 0.248 4.599 4.350 0.002 0.000 0.367 847 T C 0.140 175.048 174.700 0.347 0.000 1.202 847 T CA -0.780 61.553 62.100 0.389 0.000 1.133 847 T CB 0.257 69.250 68.868 0.208 0.000 1.074 847 T HN 0.332 nan 8.240 nan 0.000 0.519 848 R N 1.288 122.026 120.500 0.396 0.000 2.583 848 R HA 0.444 4.785 4.340 0.002 0.000 0.274 848 R C 0.358 176.768 176.300 0.182 0.000 0.998 848 R CA -0.544 55.723 56.100 0.277 0.000 1.081 848 R CB 0.126 30.573 30.300 0.244 0.000 0.940 848 R HN 0.534 nan 8.270 nan 0.000 0.413 849 G N 1.686 110.559 108.800 0.121 0.000 2.544 849 G HA2 0.304 4.265 3.960 0.002 0.000 0.313 849 G HA3 0.304 4.265 3.960 0.002 0.000 0.313 849 G C -0.245 174.705 174.900 0.083 0.000 1.316 849 G CA -0.817 44.338 45.100 0.091 0.000 0.944 849 G HN 0.692 nan 8.290 nan 0.000 0.489 850 T N -0.014 114.593 114.554 0.088 0.000 2.867 850 T HA 0.382 4.734 4.350 0.002 0.000 0.297 850 T C 1.695 176.427 174.700 0.054 0.000 0.989 850 T CA 0.826 62.977 62.100 0.086 0.000 1.159 850 T CB 1.010 69.921 68.868 0.070 0.000 0.928 850 T HN 2.147 nan 8.240 nan 0.000 0.538 851 G N 2.858 111.694 108.800 0.060 0.000 2.238 851 G HA2 -0.303 3.658 3.960 0.002 0.000 0.270 851 G HA3 -0.303 3.658 3.960 0.002 0.000 0.270 851 G C 0.467 175.376 174.900 0.016 0.000 0.977 851 G CA 0.797 45.918 45.100 0.035 0.000 0.639 851 G HN 0.762 nan 8.290 nan 0.000 0.544 852 L N -0.723 120.507 121.223 0.013 0.000 2.077 852 L HA 0.421 4.762 4.340 0.002 0.000 0.225 852 L C 1.646 178.507 176.870 -0.014 0.000 1.117 852 L CA 0.489 55.325 54.840 -0.006 0.000 2.064 852 L CB -0.213 41.842 42.059 -0.007 0.000 1.738 852 L HN 0.135 nan 8.230 nan 0.000 0.927 853 M N 0.092 119.676 119.600 -0.027 0.000 2.205 853 M HA 0.164 4.645 4.480 0.002 0.000 0.344 853 M C 0.735 177.003 176.300 -0.053 0.000 1.085 853 M CA -0.073 55.202 55.300 -0.042 0.000 1.001 853 M CB 1.300 33.862 32.600 -0.062 0.000 1.626 853 M HN 0.399 nan 8.290 nan 0.000 0.442 854 S N 1.016 116.682 115.700 -0.056 0.000 2.558 854 S HA 0.092 4.564 4.470 0.002 0.000 0.217 854 S C 1.632 176.173 174.600 -0.098 0.000 0.975 854 S CA 0.354 58.495 58.200 -0.099 0.000 0.912 854 S CB -0.259 62.907 63.200 -0.057 0.000 0.776 854 S HN 0.745 nan 8.310 nan 0.000 0.526 855 A N 3.817 126.599 122.820 -0.063 0.000 1.933 855 A HA -0.129 4.192 4.320 0.002 0.000 0.218 855 A C 1.894 179.459 177.584 -0.032 0.000 1.175 855 A CA 1.532 53.543 52.037 -0.045 0.000 0.628 855 A CB -0.619 18.351 19.000 -0.050 0.000 0.814 855 A HN 0.655 nan 8.150 nan 0.000 0.444 856 N N -0.149 118.522 118.700 -0.048 0.000 2.398 856 N HA -0.016 4.726 4.740 0.002 0.000 0.188 856 N C 0.287 175.924 175.510 0.211 0.000 1.122 856 N CA 0.603 53.657 53.050 0.007 0.000 0.866 856 N CB -0.143 38.268 38.487 -0.127 0.000 0.970 856 N HN 0.448 nan 8.380 nan 0.000 0.462 857 N N 0.254 118.938 118.700 -0.027 0.000 2.397 857 N HA 0.232 4.973 4.740 0.002 0.000 0.190 857 N C 1.662 176.975 175.510 -0.329 0.000 1.099 857 N CA -0.049 52.820 53.050 -0.302 0.000 0.876 857 N CB 0.257 38.267 38.487 -0.796 0.000 1.143 857 N HN 0.080 nan 8.380 nan 0.000 0.468 858 L N 0.079 121.209 121.223 -0.155 0.000 2.141 858 L HA -0.005 4.336 4.340 0.002 0.000 0.209 858 L C 1.435 178.340 176.870 0.057 0.000 1.094 858 L CA 0.948 55.771 54.840 -0.029 0.000 0.763 858 L CB -0.088 41.974 42.059 0.006 0.000 0.908 858 L HN -0.013 nan 8.230 nan 0.000 0.437 859 V N -0.767 119.211 119.914 0.107 0.000 3.590 859 V HA 0.088 4.209 4.120 0.002 0.000 0.265 859 V C 2.451 178.637 176.094 0.153 0.000 1.239 859 V CA 0.842 63.238 62.300 0.161 0.000 1.117 859 V CB 0.302 32.259 31.823 0.224 0.000 0.818 859 V HN 0.351 nan 8.190 nan 0.000 0.451 860 A N 0.321 123.224 122.820 0.139 0.000 1.927 860 A HA -0.334 3.987 4.320 0.002 0.000 0.220 860 A C 2.200 179.673 177.584 -0.185 0.000 1.185 860 A CA 2.511 54.466 52.037 -0.136 0.000 0.639 860 A CB -0.407 18.552 19.000 -0.068 0.000 0.820 860 A HN 0.616 nan 8.150 nan 0.000 0.451 861 E N -0.973 119.213 120.200 -0.023 0.000 2.031 861 E HA -0.117 4.235 4.350 0.002 0.000 0.193 861 E C 2.195 178.775 176.600 -0.034 0.000 0.994 861 E CA 0.991 57.380 56.400 -0.018 0.000 0.800 861 E CB -0.471 29.258 29.700 0.048 0.000 0.752 861 E HN 0.521 nan 8.360 nan 0.000 0.447 862 G N 0.394 109.197 108.800 0.006 0.000 2.442 862 G HA2 -0.242 3.719 3.960 0.002 0.000 0.219 862 G HA3 -0.242 3.719 3.960 0.002 0.000 0.219 862 G C 1.594 176.498 174.900 0.007 0.000 1.141 862 G CA 1.125 46.237 45.100 0.020 0.000 0.763 862 G HN 0.251 nan 8.290 nan 0.000 0.554 863 V N 0.338 120.238 119.914 -0.024 0.000 2.591 863 V HA -0.069 4.053 4.120 0.002 0.000 0.249 863 V C 2.482 178.527 176.094 -0.082 0.000 1.053 863 V CA 1.596 63.879 62.300 -0.028 0.000 1.068 863 V CB -0.306 31.477 31.823 -0.066 0.000 0.689 863 V HN 0.413 nan 8.190 nan 0.000 0.462 864 E N 0.282 120.391 120.200 -0.151 0.000 2.204 864 E HA -0.180 4.171 4.350 0.002 0.000 0.194 864 E C 2.141 178.704 176.600 -0.061 0.000 0.989 864 E CA 0.695 57.010 56.400 -0.142 0.000 0.824 864 E CB -0.084 29.508 29.700 -0.180 0.000 0.756 864 E HN 0.561 nan 8.360 nan 0.000 0.477 865 K N 0.470 120.849 120.400 -0.034 0.000 2.280 865 K HA -0.064 4.257 4.320 0.002 0.000 0.202 865 K C 1.613 178.223 176.600 0.017 0.000 1.047 865 K CA 0.566 56.850 56.287 -0.005 0.000 0.942 865 K CB 0.049 32.552 32.500 0.004 0.000 0.739 865 K HN 0.182 nan 8.250 nan 0.000 0.457 866 L N 0.252 121.492 121.223 0.028 0.000 2.645 866 L HA 0.082 4.424 4.340 0.002 0.000 0.235 866 L C 0.712 177.627 176.870 0.075 0.000 1.150 866 L CA 0.262 55.135 54.840 0.056 0.000 0.911 866 L CB -0.413 41.691 42.059 0.076 0.000 1.077 866 L HN 0.355 nan 8.230 nan 0.000 0.438 867 G N 0.645 109.483 108.800 0.063 0.000 2.203 867 G HA2 -0.193 3.768 3.960 0.002 0.000 0.231 867 G HA3 -0.193 3.768 3.960 0.002 0.000 0.231 867 G C -0.427 174.581 174.900 0.181 0.000 1.058 867 G CA 0.228 45.390 45.100 0.102 0.000 0.781 867 G HN 0.201 nan 8.290 nan 0.000 0.496 868 V N -0.598 119.364 119.914 0.079 0.000 3.114 868 V HA 0.889 5.010 4.120 0.002 0.000 0.308 868 V C -0.716 175.227 176.094 -0.253 0.000 1.168 868 V CA -1.362 60.962 62.300 0.040 0.000 1.015 868 V CB 2.066 33.977 31.823 0.147 0.000 1.050 868 V HN 0.321 nan 8.190 nan 0.000 0.433 869 R N 2.201 122.399 120.500 -0.502 0.000 2.393 869 R HA 0.602 4.944 4.340 0.002 0.000 0.310 869 R C -0.461 175.570 176.300 -0.447 0.000 0.968 869 R CA -0.217 55.509 56.100 -0.624 0.000 0.867 869 R CB 1.736 31.413 30.300 -1.039 0.000 1.124 869 R HN 0.986 nan 8.270 nan 0.000 0.450 870 T N -0.366 113.908 114.554 -0.468 0.000 2.925 870 T HA 0.694 5.045 4.350 0.002 0.000 0.285 870 T C -0.323 174.209 174.700 -0.280 0.000 1.021 870 T CA -0.498 61.424 62.100 -0.297 0.000 1.042 870 T CB 0.922 69.427 68.868 -0.605 0.000 1.037 870 T HN 0.218 nan 8.240 nan 0.000 0.481 871 F N 1.176 121.119 119.950 -0.012 0.000 2.522 871 F HA 0.631 5.159 4.527 0.002 0.000 0.324 871 F C 1.042 176.877 175.800 0.058 0.000 1.077 871 F CA -1.067 56.957 58.000 0.040 0.000 0.944 871 F CB 1.926 40.993 39.000 0.112 0.000 1.175 871 F HN 0.884 nan 8.300 nan 0.000 0.468 872 S N 1.215 117.037 115.700 0.204 0.000 2.632 872 S HA 0.186 4.657 4.470 0.002 0.000 0.267 872 S C 0.781 175.500 174.600 0.198 0.000 1.276 872 S CA -0.563 57.737 58.200 0.165 0.000 0.998 872 S CB 1.045 64.301 63.200 0.094 0.000 0.953 872 S HN 0.735 nan 8.310 nan 0.000 0.547 873 Q N 0.938 120.832 119.800 0.156 0.000 2.002 873 Q HA -0.228 4.114 4.340 0.002 0.000 0.204 873 Q C 2.449 178.539 176.000 0.150 0.000 0.988 873 Q CA 2.084 57.968 55.803 0.136 0.000 0.843 873 Q CB -0.505 28.289 28.738 0.094 0.000 0.908 873 Q HN 0.927 nan 8.270 nan 0.000 0.420 874 Q N 0.888 120.775 119.800 0.145 0.000 2.133 874 Q HA -0.236 4.105 4.340 0.002 0.000 0.208 874 Q C 1.717 177.898 176.000 0.301 0.000 0.991 874 Q CA 1.616 57.524 55.803 0.175 0.000 0.867 874 Q CB -0.410 28.422 28.738 0.157 0.000 0.911 874 Q HN 0.487 nan 8.270 nan 0.000 0.417 875 E N 0.773 121.156 120.200 0.305 0.000 2.007 875 E HA -0.179 4.172 4.350 0.002 0.000 0.194 875 E C 1.969 178.843 176.600 0.457 0.000 0.999 875 E CA 1.429 58.049 56.400 0.366 0.000 0.811 875 E CB -0.185 29.581 29.700 0.110 0.000 0.762 875 E HN 0.243 nan 8.360 nan 0.000 0.450 876 M N 0.993 120.790 119.600 0.329 0.000 2.346 876 M HA -0.101 4.381 4.480 0.002 0.000 0.263 876 M C 1.814 178.220 176.300 0.176 0.000 1.064 876 M CA 1.281 56.692 55.300 0.185 0.000 1.083 876 M CB -0.095 32.543 32.600 0.062 0.000 1.399 876 M HN 0.102 nan 8.290 nan 0.000 0.435 877 A N -0.465 122.476 122.820 0.203 0.000 1.874 877 A HA -0.075 4.247 4.320 0.002 0.000 0.214 877 A C 1.998 179.736 177.584 0.257 0.000 1.189 877 A CA 1.316 53.435 52.037 0.137 0.000 0.615 877 A CB -1.244 17.796 19.000 0.067 0.000 0.830 877 A HN 0.596 nan 8.150 nan 0.000 0.443 878 F N 2.310 122.421 119.950 0.269 0.000 2.063 878 F HA -0.304 4.224 4.527 0.002 0.000 0.298 878 F C 1.819 177.863 175.800 0.407 0.000 1.109 878 F CA 2.291 60.548 58.000 0.430 0.000 1.212 878 F CB -0.841 38.460 39.000 0.502 0.000 0.973 878 F HN 0.270 nan 8.300 nan 0.000 0.480 879 N N 0.740 119.548 118.700 0.179 0.000 2.061 879 N HA -0.217 4.524 4.740 0.002 0.000 0.193 879 N C 2.024 177.613 175.510 0.131 0.000 1.030 879 N CA 1.998 55.108 53.050 0.099 0.000 0.856 879 N CB -0.802 37.806 38.487 0.202 0.000 1.023 879 N HN 0.388 nan 8.380 nan 0.000 0.424 880 L N 0.166 121.463 121.223 0.123 0.000 1.994 880 L HA -0.100 4.241 4.340 0.002 0.000 0.208 880 L C 2.013 178.965 176.870 0.138 0.000 1.071 880 L CA 0.843 55.742 54.840 0.098 0.000 0.745 880 L CB -0.502 41.601 42.059 0.074 0.000 0.892 880 L HN 0.131 nan 8.230 nan 0.000 0.431 881 L N -0.304 121.025 121.223 0.176 0.000 2.263 881 L HA -0.182 4.159 4.340 0.002 0.000 0.216 881 L C 2.564 179.636 176.870 0.337 0.000 1.111 881 L CA 1.149 56.165 54.840 0.294 0.000 0.773 881 L CB -1.119 41.180 42.059 0.400 0.000 0.906 881 L HN 0.340 nan 8.230 nan 0.000 0.439 882 G N 0.553 109.499 108.800 0.243 0.000 2.446 882 G HA2 -0.223 3.739 3.960 0.002 0.000 0.217 882 G HA3 -0.223 3.739 3.960 0.002 0.000 0.217 882 G C 1.466 176.557 174.900 0.319 0.000 1.168 882 G CA 0.787 46.065 45.100 0.296 0.000 0.771 882 G HN 0.398 nan 8.290 nan 0.000 0.551 883 L N 0.119 121.453 121.223 0.186 0.000 2.478 883 L HA 0.149 4.490 4.340 0.002 0.000 0.223 883 L C 2.636 179.623 176.870 0.195 0.000 1.140 883 L CA 0.170 55.059 54.840 0.081 0.000 0.842 883 L CB -0.451 41.575 42.059 -0.055 0.000 0.953 883 L HN 0.169 nan 8.230 nan 0.000 0.452 884 M N 0.550 120.338 119.600 0.313 0.000 2.447 884 M HA 0.135 4.616 4.480 0.002 0.000 0.264 884 M C 1.336 177.931 176.300 0.492 0.000 1.095 884 M CA 0.236 55.856 55.300 0.533 0.000 1.125 884 M CB -0.493 32.465 32.600 0.597 0.000 1.389 884 M HN 0.229 nan 8.290 nan 0.000 0.459 885 A N 1.986 124.992 122.820 0.311 0.000 2.520 885 A HA 0.110 4.432 4.320 0.002 0.000 0.235 885 A C -1.396 176.281 177.584 0.154 0.000 1.065 885 A CA -0.819 51.322 52.037 0.174 0.000 0.764 885 A CB -0.495 18.590 19.000 0.141 0.000 1.002 885 A HN 0.127 nan 8.150 nan 0.000 0.502 886 P HA -0.223 nan 4.420 nan 0.000 0.216 886 P C 1.674 179.020 177.300 0.077 0.000 1.150 886 P CA 2.319 65.468 63.100 0.082 0.000 0.843 886 P CB 0.036 31.764 31.700 0.048 0.000 0.787 887 A N -0.286 122.583 122.820 0.082 0.000 1.842 887 A HA -0.241 4.080 4.320 0.002 0.000 0.217 887 A C 2.285 179.923 177.584 0.089 0.000 1.206 887 A CA 1.987 54.074 52.037 0.084 0.000 0.630 887 A CB -1.671 17.387 19.000 0.096 0.000 0.839 887 A HN 0.114 nan 8.150 nan 0.000 0.447 888 I N -0.508 120.129 120.570 0.111 0.000 2.315 888 I HA -0.201 3.971 4.170 0.002 0.000 0.248 888 I C 2.376 178.530 176.117 0.061 0.000 1.117 888 I CA 0.956 62.312 61.300 0.093 0.000 1.404 888 I CB -0.232 37.828 38.000 0.101 0.000 1.071 888 I HN 0.179 nan 8.210 nan 0.000 0.419 889 V N 1.320 121.276 119.914 0.070 0.000 2.317 889 V HA -0.374 3.747 4.120 0.002 0.000 0.251 889 V C 2.024 178.135 176.094 0.027 0.000 1.065 889 V CA 2.215 64.539 62.300 0.039 0.000 1.049 889 V CB -0.858 30.987 31.823 0.037 0.000 0.651 889 V HN 0.524 nan 8.190 nan 0.000 0.450 890 N N -0.255 118.468 118.700 0.039 0.000 2.396 890 N HA -0.042 4.699 4.740 0.002 0.000 0.180 890 N C 1.788 177.316 175.510 0.031 0.000 1.028 890 N CA 1.064 54.136 53.050 0.037 0.000 0.893 890 N CB -0.071 38.442 38.487 0.042 0.000 0.967 890 N HN 0.439 nan 8.380 nan 0.000 0.440 891 L N 0.372 121.611 121.223 0.028 0.000 2.046 891 L HA -0.162 4.180 4.340 0.002 0.000 0.208 891 L C 2.532 179.383 176.870 -0.032 0.000 1.077 891 L CA 0.918 55.766 54.840 0.014 0.000 0.747 891 L CB -0.625 41.452 42.059 0.029 0.000 0.896 891 L HN 0.224 nan 8.230 nan 0.000 0.432 892 C N -0.258 119.015 119.300 -0.044 0.000 2.425 892 C HA -0.153 4.309 4.460 0.002 0.000 0.277 892 C C 2.776 177.690 174.990 -0.127 0.000 1.280 892 C CA 0.610 59.556 59.018 -0.120 0.000 1.744 892 C CB -0.814 26.885 27.740 -0.068 0.000 1.989 892 C HN 0.531 nan 8.230 nan 0.000 0.491 893 Q N 0.716 120.518 119.800 0.004 0.000 2.437 893 Q HA -0.118 4.224 4.340 0.002 0.000 0.210 893 Q C 2.148 178.243 176.000 0.159 0.000 0.972 893 Q CA 1.733 57.604 55.803 0.113 0.000 0.903 893 Q CB -0.068 28.726 28.738 0.093 0.000 0.967 893 Q HN 0.896 nan 8.270 nan 0.000 0.486 894 S N -1.392 114.332 115.700 0.040 0.000 2.599 894 S HA 0.115 4.586 4.470 0.002 0.000 0.236 894 S C 0.190 174.750 174.600 -0.066 0.000 1.077 894 S CA -0.293 57.959 58.200 0.086 0.000 0.906 894 S CB 0.716 63.959 63.200 0.072 0.000 0.804 894 S HN -0.001 nan 8.310 nan 0.000 0.497 895 D N 1.961 122.219 120.400 -0.237 0.000 2.990 895 D HA 0.476 5.117 4.640 0.002 0.000 0.227 895 D C -3.162 172.912 176.300 -0.376 0.000 1.249 895 D CA -1.368 52.457 54.000 -0.293 0.000 0.891 895 D CB 2.074 42.869 40.800 -0.009 0.000 1.647 895 D HN -0.003 nan 8.370 nan 0.000 0.530 896 P HA -0.029 nan 4.420 nan 0.000 0.266 896 P C -0.483 176.804 177.300 -0.022 0.000 1.186 896 P CA -0.044 62.878 63.100 -0.297 0.000 0.767 896 P CB 0.694 32.310 31.700 -0.141 0.000 0.820 897 V N 3.922 123.844 119.914 0.012 0.000 2.540 897 V HA 0.396 4.517 4.120 0.002 0.000 0.302 897 V C -0.361 175.715 176.094 -0.029 0.000 1.035 897 V CA -0.484 61.833 62.300 0.028 0.000 0.873 897 V CB 1.303 33.119 31.823 -0.012 0.000 0.992 897 V HN 0.403 nan 8.190 nan 0.000 0.428 898 F N 3.553 123.348 119.950 -0.259 0.000 2.422 898 F HA 0.759 5.287 4.527 0.002 0.000 0.333 898 F C 0.292 175.948 175.800 -0.240 0.000 1.095 898 F CA -0.421 57.312 58.000 -0.445 0.000 1.038 898 F CB 1.491 39.956 39.000 -0.892 0.000 1.156 898 F HN 0.527 nan 8.300 nan 0.000 0.483 899 A N 4.917 127.735 122.820 -0.004 0.000 2.745 899 A HA 0.205 4.526 4.320 0.002 0.000 0.301 899 A C -1.234 176.302 177.584 -0.081 0.000 1.188 899 A CA -0.655 51.332 52.037 -0.084 0.000 0.746 899 A CB 0.157 19.005 19.000 -0.252 0.000 1.207 899 A HN 0.655 nan 8.150 nan 0.000 0.432 900 D N 3.139 123.492 120.400 -0.079 0.000 2.357 900 D HA 0.078 4.719 4.640 0.002 0.000 0.265 900 D C 0.250 176.445 176.300 -0.174 0.000 1.334 900 D CA 0.276 54.172 54.000 -0.174 0.000 0.984 900 D CB 0.334 40.827 40.800 -0.511 0.000 1.077 900 D HN 0.541 nan 8.370 nan 0.000 0.514 901 L N 3.247 124.415 121.223 -0.092 0.000 2.912 901 L HA 0.165 4.506 4.340 0.002 0.000 0.240 901 L C 0.709 177.526 176.870 -0.087 0.000 1.262 901 L CA -0.488 54.310 54.840 -0.071 0.000 1.058 901 L CB -0.522 41.465 42.059 -0.120 0.000 1.383 901 L HN 0.149 nan 8.230 nan 0.000 0.512 902 N N 0.895 119.621 118.700 0.044 0.000 2.499 902 N HA 0.157 4.898 4.740 0.002 0.000 0.281 902 N C 1.098 176.828 175.510 0.366 0.000 1.098 902 N CA -0.129 53.016 53.050 0.159 0.000 0.979 902 N CB 1.879 40.455 38.487 0.148 0.000 1.121 902 N HN 0.153 nan 8.380 nan 0.000 0.466 903 G N 1.478 110.591 108.800 0.522 0.000 3.194 903 G HA2 0.190 4.151 3.960 0.002 0.000 0.208 903 G HA3 0.190 4.151 3.960 0.002 0.000 0.208 903 G C 0.953 176.094 174.900 0.402 0.000 1.240 903 G CA 0.178 45.563 45.100 0.474 0.000 1.044 903 G HN 1.060 nan 8.290 nan 0.000 0.495 904 G N -0.668 108.485 108.800 0.589 0.000 2.153 904 G HA2 -0.306 3.655 3.960 0.002 0.000 0.252 904 G HA3 -0.306 3.655 3.960 0.002 0.000 0.252 904 G C 1.030 176.229 174.900 0.498 0.000 0.994 904 G CA 0.410 45.921 45.100 0.685 0.000 0.698 904 G HN 0.519 nan 8.290 nan 0.000 0.521 905 L N -0.179 121.253 121.223 0.349 0.000 2.633 905 L HA 0.012 4.353 4.340 0.002 0.000 0.235 905 L C 2.677 179.655 176.870 0.180 0.000 1.163 905 L CA 1.519 56.532 54.840 0.288 0.000 0.859 905 L CB -0.130 42.119 42.059 0.317 0.000 0.973 905 L HN 0.379 nan 8.230 nan 0.000 0.451 906 Q N -0.916 118.907 119.800 0.038 0.000 2.226 906 Q HA -0.142 4.200 4.340 0.002 0.000 0.204 906 Q C 1.455 177.312 176.000 -0.238 0.000 0.975 906 Q CA 1.547 57.242 55.803 -0.181 0.000 0.866 906 Q CB -0.249 28.241 28.738 -0.413 0.000 0.915 906 Q HN 0.433 nan 8.270 nan 0.000 0.440 907 F N 0.026 120.065 119.950 0.149 0.000 2.789 907 F HA 0.215 4.743 4.527 0.002 0.000 0.300 907 F C 0.466 176.331 175.800 0.108 0.000 1.132 907 F CA -0.235 57.835 58.000 0.117 0.000 1.404 907 F CB 0.186 39.254 39.000 0.113 0.000 1.114 907 F HN -0.067 nan 8.300 nan 0.000 0.584 908 I N 3.020 123.740 120.570 0.250 0.000 2.291 908 I HA 0.247 4.419 4.170 0.002 0.000 0.292 908 I C -2.350 173.842 176.117 0.125 0.000 1.064 908 I CA -1.903 59.508 61.300 0.184 0.000 1.269 908 I CB 0.194 38.308 38.000 0.190 0.000 1.418 908 I HN -0.214 nan 8.210 nan 0.000 0.485 909 P HA 0.183 nan 4.420 nan 0.000 0.279 909 P C -0.053 177.264 177.300 0.027 0.000 1.252 909 P CA -0.211 62.922 63.100 0.056 0.000 0.811 909 P CB 0.579 32.314 31.700 0.057 0.000 1.035 910 D N -0.190 120.200 120.400 -0.016 0.000 2.751 910 D HA -0.149 4.492 4.640 0.002 0.000 0.233 910 D C 0.745 177.004 176.300 -0.068 0.000 1.149 910 D CA 0.180 54.147 54.000 -0.055 0.000 0.682 910 D CB -0.669 40.117 40.800 -0.023 0.000 1.068 910 D HN 0.190 nan 8.370 nan 0.000 0.429 911 L N 0.996 122.171 121.223 -0.080 0.000 2.042 911 L HA -0.159 4.182 4.340 0.002 0.000 0.210 911 L C 2.342 179.119 176.870 -0.154 0.000 1.076 911 L CA 2.792 57.612 54.840 -0.033 0.000 0.749 911 L CB -0.791 41.308 42.059 0.067 0.000 0.893 911 L HN 0.178 nan 8.230 nan 0.000 0.432 912 K N -0.097 120.007 120.400 -0.493 0.000 2.052 912 K HA -0.170 4.152 4.320 0.002 0.000 0.215 912 K C 1.994 178.501 176.600 -0.156 0.000 1.053 912 K CA 2.092 58.070 56.287 -0.515 0.000 0.934 912 K CB -1.300 30.851 32.500 -0.583 0.000 0.717 912 K HN 0.434 nan 8.250 nan 0.000 0.450 913 G N 0.694 109.427 108.800 -0.113 0.000 2.404 913 G HA2 -0.220 3.741 3.960 0.002 0.000 0.215 913 G HA3 -0.220 3.741 3.960 0.002 0.000 0.215 913 G C 1.465 176.369 174.900 0.006 0.000 1.174 913 G CA 0.884 45.962 45.100 -0.038 0.000 0.780 913 G HN 0.357 nan 8.290 nan 0.000 0.537 914 L N 0.956 122.193 121.223 0.023 0.000 1.971 914 L HA -0.133 4.209 4.340 0.002 0.000 0.215 914 L C 2.895 179.819 176.870 0.090 0.000 1.072 914 L CA 2.296 57.175 54.840 0.066 0.000 0.758 914 L CB -0.559 41.558 42.059 0.097 0.000 0.889 914 L HN 0.334 nan 8.230 nan 0.000 0.433 915 M N -0.990 118.682 119.600 0.120 0.000 2.117 915 M HA -0.162 4.319 4.480 0.002 0.000 0.262 915 M C 2.101 178.462 176.300 0.102 0.000 1.065 915 M CA 2.225 57.618 55.300 0.154 0.000 1.114 915 M CB -1.387 31.335 32.600 0.203 0.000 1.361 915 M HN 0.564 nan 8.290 nan 0.000 0.408 916 T N -0.810 113.786 114.554 0.070 0.000 2.833 916 T HA -0.112 4.239 4.350 0.002 0.000 0.269 916 T C 1.676 176.404 174.700 0.046 0.000 1.054 916 T CA 1.270 63.401 62.100 0.051 0.000 1.135 916 T CB -0.304 68.582 68.868 0.031 0.000 0.869 916 T HN 0.425 nan 8.240 nan 0.000 0.466 917 K N 0.942 121.370 120.400 0.048 0.000 1.984 917 K HA 0.168 4.489 4.320 0.002 0.000 0.209 917 K C 2.331 178.961 176.600 0.051 0.000 1.046 917 K CA 1.121 57.434 56.287 0.044 0.000 0.934 917 K CB -0.486 32.039 32.500 0.042 0.000 0.717 917 K HN 0.223 nan 8.250 nan 0.000 0.438 918 L N 1.005 122.267 121.223 0.065 0.000 2.042 918 L HA -0.208 4.134 4.340 0.002 0.000 0.210 918 L C 2.655 179.565 176.870 0.066 0.000 1.076 918 L CA 1.136 56.018 54.840 0.070 0.000 0.749 918 L CB -0.332 41.783 42.059 0.094 0.000 0.893 918 L HN 0.163 nan 8.230 nan 0.000 0.432 919 R N 0.259 120.801 120.500 0.069 0.000 2.113 919 R HA -0.248 4.093 4.340 0.002 0.000 0.244 919 R C 2.256 178.582 176.300 0.044 0.000 1.142 919 R CA 1.942 58.076 56.100 0.057 0.000 0.953 919 R CB -0.408 29.924 30.300 0.053 0.000 0.860 919 R HN 0.355 nan 8.270 nan 0.000 0.438 920 K N 0.796 121.220 120.400 0.040 0.000 1.967 920 K HA -0.197 4.124 4.320 0.002 0.000 0.212 920 K C 2.092 178.711 176.600 0.033 0.000 1.044 920 K CA 2.052 58.359 56.287 0.033 0.000 0.942 920 K CB -0.168 32.350 32.500 0.030 0.000 0.726 920 K HN 0.304 nan 8.250 nan 0.000 0.440 921 E N 0.748 120.969 120.200 0.035 0.000 2.108 921 E HA -0.280 4.071 4.350 0.002 0.000 0.203 921 E C 1.955 178.576 176.600 0.034 0.000 1.022 921 E CA 2.137 58.557 56.400 0.033 0.000 0.823 921 E CB -0.733 28.988 29.700 0.035 0.000 0.744 921 E HN 0.413 nan 8.360 nan 0.000 0.456 922 I N 0.197 120.790 120.570 0.039 0.000 2.113 922 I HA -0.253 3.919 4.170 0.002 0.000 0.238 922 I C 2.654 178.792 176.117 0.035 0.000 1.070 922 I CA 1.183 62.507 61.300 0.040 0.000 1.332 922 I CB -0.379 37.649 38.000 0.047 0.000 1.044 922 I HN 0.187 nan 8.210 nan 0.000 0.402 923 M N 0.060 119.680 119.600 0.033 0.000 2.202 923 M HA -0.223 4.258 4.480 0.002 0.000 0.262 923 M C 2.147 178.463 176.300 0.026 0.000 1.063 923 M CA 1.624 56.941 55.300 0.028 0.000 1.097 923 M CB -1.202 31.413 32.600 0.026 0.000 1.382 923 M HN 0.321 nan 8.290 nan 0.000 0.413 924 E N -0.084 120.132 120.200 0.026 0.000 2.046 924 E HA -0.147 4.204 4.350 0.002 0.000 0.190 924 E C 1.888 178.501 176.600 0.022 0.000 0.982 924 E CA 1.880 58.294 56.400 0.023 0.000 0.800 924 E CB 0.186 29.900 29.700 0.023 0.000 0.756 924 E HN 0.609 nan 8.360 nan 0.000 0.449 925 T N -0.932 113.637 114.554 0.024 0.000 2.821 925 T HA -0.155 4.196 4.350 0.002 0.000 0.267 925 T C 2.162 176.876 174.700 0.023 0.000 1.046 925 T CA 1.471 63.585 62.100 0.023 0.000 1.139 925 T CB -0.437 68.446 68.868 0.024 0.000 0.871 925 T HN 0.154 nan 8.240 nan 0.000 0.454 926 S N 2.591 118.306 115.700 0.025 0.000 2.368 926 S HA 0.063 4.534 4.470 0.002 0.000 0.224 926 S C 2.495 177.108 174.600 0.022 0.000 1.029 926 S CA 0.992 59.207 58.200 0.025 0.000 0.988 926 S CB -1.046 62.170 63.200 0.028 0.000 0.838 926 S HN 0.733 nan 8.310 nan 0.000 0.462 927 A N 2.289 125.122 122.820 0.021 0.000 1.859 927 A HA -0.021 4.300 4.320 0.002 0.000 0.217 927 A C 2.274 179.869 177.584 0.018 0.000 1.198 927 A CA 1.784 53.833 52.037 0.019 0.000 0.629 927 A CB -1.142 17.869 19.000 0.018 0.000 0.830 927 A HN 0.612 nan 8.150 nan 0.000 0.446 928 I N -1.168 119.412 120.570 0.017 0.000 2.118 928 I HA -0.333 3.838 4.170 0.002 0.000 0.241 928 I C 2.777 178.903 176.117 0.016 0.000 1.070 928 I CA 2.094 63.403 61.300 0.016 0.000 1.327 928 I CB -0.345 37.665 38.000 0.016 0.000 1.034 928 I HN 0.370 nan 8.210 nan 0.000 0.405 929 R N 0.819 121.330 120.500 0.017 0.000 2.083 929 R HA -0.236 4.105 4.340 0.002 0.000 0.237 929 R C 2.422 178.732 176.300 0.017 0.000 1.137 929 R CA 2.030 58.140 56.100 0.017 0.000 0.951 929 R CB -0.195 30.116 30.300 0.019 0.000 0.851 929 R HN 0.566 nan 8.270 nan 0.000 0.434 930 Q N -1.141 118.670 119.800 0.018 0.000 2.311 930 Q HA 0.049 4.390 4.340 0.002 0.000 0.203 930 Q C 1.771 177.781 176.000 0.016 0.000 0.954 930 Q CA 0.977 56.791 55.803 0.018 0.000 0.885 930 Q CB 0.057 28.806 28.738 0.019 0.000 0.963 930 Q HN 0.306 nan 8.270 nan 0.000 0.471 931 A N 1.499 124.328 122.820 0.016 0.000 1.854 931 A HA -0.062 4.260 4.320 0.002 0.000 0.214 931 A C 2.363 179.955 177.584 0.013 0.000 1.192 931 A CA 1.196 53.242 52.037 0.014 0.000 0.611 931 A CB -0.872 18.136 19.000 0.014 0.000 0.832 931 A HN 0.196 nan 8.150 nan 0.000 0.442 932 V N 0.631 120.553 119.914 0.013 0.000 2.317 932 V HA -0.347 3.775 4.120 0.002 0.000 0.251 932 V C 2.455 178.556 176.094 0.012 0.000 1.065 932 V CA 2.332 64.639 62.300 0.012 0.000 1.049 932 V CB -0.766 31.064 31.823 0.011 0.000 0.651 932 V HN 0.586 nan 8.190 nan 0.000 0.450 933 I N -0.648 119.930 120.570 0.014 0.000 2.127 933 I HA -0.313 3.858 4.170 0.002 0.000 0.241 933 I C 2.564 178.690 176.117 0.015 0.000 1.075 933 I CA 1.849 63.158 61.300 0.015 0.000 1.334 933 I CB -0.580 37.431 38.000 0.017 0.000 1.040 933 I HN 0.262 nan 8.210 nan 0.000 0.405 934 K N 0.295 120.704 120.400 0.015 0.000 2.103 934 K HA -0.193 4.128 4.320 0.002 0.000 0.207 934 K C 2.115 178.723 176.600 0.013 0.000 1.048 934 K CA 1.185 57.481 56.287 0.015 0.000 0.930 934 K CB -0.147 32.362 32.500 0.015 0.000 0.716 934 K HN 0.290 nan 8.250 nan 0.000 0.444 935 E N 0.198 120.405 120.200 0.011 0.000 2.012 935 E HA -0.158 4.193 4.350 0.002 0.000 0.197 935 E C 2.189 178.793 176.600 0.007 0.000 1.007 935 E CA 2.068 58.474 56.400 0.009 0.000 0.816 935 E CB -0.552 29.153 29.700 0.008 0.000 0.762 935 E HN 0.449 nan 8.360 nan 0.000 0.451 936 T N -0.591 113.967 114.554 0.007 0.000 2.929 936 T HA -0.008 4.343 4.350 0.002 0.000 0.271 936 T C 1.963 176.667 174.700 0.006 0.000 1.085 936 T CA 1.329 63.432 62.100 0.004 0.000 1.125 936 T CB -0.153 68.718 68.868 0.005 0.000 0.874 936 T HN 0.166 nan 8.240 nan 0.000 0.494 937 A N 1.537 124.364 122.820 0.011 0.000 1.897 937 A HA 0.198 4.520 4.320 0.002 0.000 0.215 937 A C 2.361 179.954 177.584 0.014 0.000 1.181 937 A CA 1.017 53.063 52.037 0.016 0.000 0.620 937 A CB -0.701 18.311 19.000 0.020 0.000 0.821 937 A HN 0.554 nan 8.150 nan 0.000 0.443 938 I N -0.305 120.272 120.570 0.011 0.000 2.252 938 I HA -0.247 3.924 4.170 0.002 0.000 0.245 938 I C 2.430 178.549 176.117 0.004 0.000 1.102 938 I CA 1.422 62.727 61.300 0.010 0.000 1.385 938 I CB -0.451 37.554 38.000 0.009 0.000 1.064 938 I HN 0.443 nan 8.210 nan 0.000 0.414 939 E N 0.827 121.027 120.200 -0.000 0.000 2.097 939 E HA -0.250 4.102 4.350 0.002 0.000 0.196 939 E C 1.790 178.381 176.600 -0.016 0.000 1.000 939 E CA 1.454 57.849 56.400 -0.008 0.000 0.804 939 E CB -0.192 29.503 29.700 -0.009 0.000 0.740 939 E HN 0.479 nan 8.360 nan 0.000 0.454 940 N N 0.691 119.383 118.700 -0.014 0.000 2.244 940 N HA -0.099 4.643 4.740 0.002 0.000 0.183 940 N C 1.360 176.858 175.510 -0.021 0.000 1.016 940 N CA 0.886 53.919 53.050 -0.027 0.000 0.866 940 N CB -0.003 38.474 38.487 -0.016 0.000 0.980 940 N HN 0.107 nan 8.380 nan 0.000 0.430 941 K N 0.128 120.529 120.400 0.001 0.000 2.211 941 K HA 0.015 4.337 4.320 0.002 0.000 0.203 941 K C 1.662 178.263 176.600 0.002 0.000 1.050 941 K CA 0.575 56.869 56.287 0.013 0.000 0.945 941 K CB 0.057 32.570 32.500 0.022 0.000 0.732 941 K HN 0.035 nan 8.250 nan 0.000 0.451 942 V N 0.782 120.691 119.914 -0.007 0.000 2.255 942 V HA -0.188 3.934 4.120 0.002 0.000 0.243 942 V C 2.306 178.385 176.094 -0.024 0.000 1.038 942 V CA 1.305 63.599 62.300 -0.011 0.000 1.008 942 V CB -0.341 31.476 31.823 -0.010 0.000 0.645 942 V HN 0.007 nan 8.190 nan 0.000 0.449 943 V N 1.044 120.934 119.914 -0.039 0.000 2.295 943 V HA -0.225 3.896 4.120 0.002 0.000 0.246 943 V C 2.197 178.238 176.094 -0.088 0.000 1.049 943 V CA 2.350 64.614 62.300 -0.060 0.000 1.024 943 V CB -0.798 30.982 31.823 -0.072 0.000 0.648 943 V HN 0.573 nan 8.190 nan 0.000 0.447 944 N N -0.295 118.335 118.700 -0.118 0.000 2.415 944 N HA 0.226 4.968 4.740 0.002 0.000 0.176 944 N C 0.864 176.340 175.510 -0.057 0.000 1.042 944 N CA 1.023 53.958 53.050 -0.193 0.000 0.902 944 N CB 0.294 38.554 38.487 -0.379 0.000 0.986 944 N HN 0.582 nan 8.380 nan 0.000 0.447 945 G N 0.847 109.641 108.800 -0.010 0.000 2.692 945 G HA2 -0.201 3.760 3.960 0.002 0.000 0.686 945 G HA3 -0.201 3.760 3.960 0.002 0.000 0.686 945 G C 0.277 175.215 174.900 0.063 0.000 1.243 945 G CA -0.262 44.856 45.100 0.029 0.000 0.782 945 G HN 0.002 nan 8.290 nan 0.000 0.625 946 E N 0.342 120.574 120.200 0.055 0.000 2.065 946 E HA -0.110 4.241 4.350 0.002 0.000 0.201 946 E C 2.170 178.822 176.600 0.087 0.000 1.016 946 E CA 2.223 58.660 56.400 0.062 0.000 0.818 946 E CB -0.146 29.582 29.700 0.046 0.000 0.749 946 E HN 0.595 nan 8.360 nan 0.000 0.453 947 D N -0.909 119.545 120.400 0.090 0.000 2.092 947 D HA -0.186 4.455 4.640 0.002 0.000 0.193 947 D C 1.931 178.324 176.300 0.155 0.000 0.994 947 D CA 1.343 55.404 54.000 0.102 0.000 0.828 947 D CB -0.571 40.282 40.800 0.088 0.000 0.963 947 D HN 0.301 nan 8.370 nan 0.000 0.450 948 H N 1.174 120.290 119.070 0.077 0.000 2.253 948 H HA -0.101 4.457 4.556 0.002 0.000 0.296 948 H C 1.809 177.202 175.328 0.107 0.000 1.074 948 H CA 1.576 57.669 56.048 0.075 0.000 1.263 948 H CB 0.175 29.906 29.762 -0.052 0.000 1.363 948 H HN 0.010 nan 8.280 nan 0.000 0.489 949 E N 0.628 121.014 120.200 0.312 0.000 2.118 949 E HA -0.119 4.233 4.350 0.002 0.000 0.195 949 E C 2.363 179.078 176.600 0.192 0.000 0.992 949 E CA 0.963 57.505 56.400 0.236 0.000 0.804 949 E CB -0.547 29.235 29.700 0.137 0.000 0.741 949 E HN 0.559 nan 8.360 nan 0.000 0.458 950 A N 1.241 124.151 122.820 0.151 0.000 1.865 950 A HA -0.150 4.172 4.320 0.002 0.000 0.217 950 A C 2.188 179.834 177.584 0.102 0.000 1.191 950 A CA 1.279 53.379 52.037 0.106 0.000 0.623 950 A CB -0.760 18.285 19.000 0.075 0.000 0.826 950 A HN 0.255 nan 8.150 nan 0.000 0.444 951 L N -1.827 119.470 121.223 0.123 0.000 2.711 951 L HA 0.003 4.345 4.340 0.002 0.000 0.242 951 L C 0.238 176.978 176.870 -0.217 0.000 1.153 951 L CA 0.456 55.278 54.840 -0.030 0.000 0.898 951 L CB -0.540 41.470 42.059 -0.082 0.000 1.044 951 L HN 0.509 nan 8.230 nan 0.000 0.437 952 Y N -0.318 119.946 120.300 -0.060 0.000 2.666 952 Y HA 0.340 4.891 4.550 0.002 0.000 0.264 952 Y C 0.341 176.236 175.900 -0.008 0.000 1.054 952 Y CA -0.640 57.432 58.100 -0.047 0.000 1.121 952 Y CB 0.511 38.930 38.460 -0.068 0.000 1.190 952 Y HN 0.020 nan 8.280 nan 0.000 0.587 953 R N 0.694 121.243 120.500 0.082 0.000 2.445 953 R HA 0.426 4.767 4.340 0.002 0.000 0.308 953 R C -0.179 176.136 176.300 0.026 0.000 0.961 953 R CA -1.054 55.083 56.100 0.061 0.000 0.862 953 R CB 1.497 31.830 30.300 0.056 0.000 1.144 953 R HN 0.175 nan 8.270 nan 0.000 0.447 954 R N 1.825 122.342 120.500 0.028 0.000 2.549 954 R HA -0.041 4.301 4.340 0.002 0.000 0.336 954 R C -0.294 176.012 176.300 0.009 0.000 0.891 954 R CA 0.311 56.420 56.100 0.015 0.000 1.102 954 R CB 0.178 30.490 30.300 0.020 0.000 0.899 954 R HN 0.324 nan 8.270 nan 0.000 0.407 955 V N 7.190 127.103 119.914 -0.001 0.000 2.352 955 V HA 0.111 4.232 4.120 0.002 0.000 0.253 955 V C 0.862 176.958 176.094 0.004 0.000 1.083 955 V CA -0.024 62.275 62.300 -0.002 0.000 0.993 955 V CB 0.065 31.880 31.823 -0.013 0.000 1.111 955 V HN 0.558 nan 8.190 nan 0.000 0.490 956 I N 4.985 125.561 120.570 0.010 0.000 2.396 956 I HA 0.162 4.334 4.170 0.002 0.000 0.289 956 I C 1.127 177.252 176.117 0.013 0.000 1.056 956 I CA -0.040 61.268 61.300 0.012 0.000 1.365 956 I CB 1.211 39.221 38.000 0.016 0.000 1.407 956 I HN 0.643 nan 8.210 nan 0.000 0.509 957 T N 2.681 117.242 114.554 0.013 0.000 2.930 957 T HA 0.190 4.541 4.350 0.002 0.000 0.306 957 T C -0.073 174.639 174.700 0.020 0.000 1.045 957 T CA -0.744 61.365 62.100 0.015 0.000 1.134 957 T CB 0.696 69.571 68.868 0.013 0.000 0.961 957 T HN 0.481 nan 8.240 nan 0.000 0.545 958 E N 3.120 123.335 120.200 0.024 0.000 2.200 958 E HA 0.333 4.684 4.350 0.002 0.000 0.283 958 E C -2.186 174.435 176.600 0.035 0.000 1.015 958 E CA -1.907 54.511 56.400 0.030 0.000 0.819 958 E CB 0.579 30.299 29.700 0.033 0.000 1.081 958 E HN 0.539 nan 8.360 nan 0.000 0.397 959 P HA 0.119 nan 4.420 nan 0.000 0.271 959 P C -0.538 176.795 177.300 0.056 0.000 1.216 959 P CA 0.030 63.156 63.100 0.044 0.000 0.776 959 P CB 0.839 32.565 31.700 0.044 0.000 0.881 960 R N 0.965 121.501 120.500 0.059 0.000 2.981 960 R HA 0.862 5.203 4.340 0.002 0.000 0.228 960 R C -0.840 175.514 176.300 0.091 0.000 1.421 960 R CA -1.124 55.023 56.100 0.079 0.000 1.073 960 R CB 1.545 31.885 30.300 0.066 0.000 1.568 960 R HN 0.495 nan 8.270 nan 0.000 0.514 961 A N 1.892 124.785 122.820 0.121 0.000 2.343 961 A HA 0.338 4.659 4.320 0.002 0.000 0.308 961 A C -1.188 176.486 177.584 0.149 0.000 1.092 961 A CA -0.887 51.231 52.037 0.136 0.000 0.751 961 A CB 0.771 19.872 19.000 0.169 0.000 1.203 961 A HN 0.734 nan 8.150 nan 0.000 0.452 962 N N 2.881 121.661 118.700 0.133 0.000 2.408 962 N HA 0.363 5.104 4.740 0.002 0.000 0.280 962 N C -1.420 174.214 175.510 0.208 0.000 1.002 962 N CA -0.495 52.650 53.050 0.157 0.000 0.907 962 N CB 1.359 39.910 38.487 0.107 0.000 1.161 962 N HN 0.446 nan 8.380 nan 0.000 0.488 963 L N 2.514 123.935 121.223 0.330 0.000 2.328 963 L HA 0.236 4.577 4.340 0.002 0.000 0.280 963 L C 0.396 177.497 176.870 0.385 0.000 1.111 963 L CA -0.599 54.426 54.840 0.309 0.000 0.909 963 L CB 0.094 42.333 42.059 0.301 0.000 1.277 963 L HN 0.339 nan 8.230 nan 0.000 0.433 964 K N 2.533 123.079 120.400 0.244 0.000 2.451 964 K HA -0.025 4.297 4.320 0.002 0.000 0.280 964 K C -0.521 176.179 176.600 0.167 0.000 1.020 964 K CA 0.039 56.471 56.287 0.243 0.000 1.008 964 K CB 0.388 32.946 32.500 0.096 0.000 0.917 964 K HN 0.291 nan 8.250 nan 0.000 0.478 965 Y N 4.776 125.171 120.300 0.158 0.000 2.650 965 Y HA 0.164 4.715 4.550 0.002 0.000 0.343 965 Y C -2.150 173.699 175.900 -0.085 0.000 1.078 965 Y CA -2.485 55.578 58.100 -0.062 0.000 1.356 965 Y CB 0.464 38.870 38.460 -0.090 0.000 1.204 965 Y HN 0.466 nan 8.280 nan 0.000 0.508 966 P HA 0.095 nan 4.420 nan 0.000 0.281 966 P C -0.750 176.704 177.300 0.255 0.000 1.252 966 P CA 0.035 63.167 63.100 0.054 0.000 0.778 966 P CB 0.652 32.361 31.700 0.016 0.000 0.895 967 F N 3.148 123.153 119.950 0.091 0.000 2.348 967 F HA 0.431 4.960 4.527 0.002 0.000 0.308 967 F C -1.593 174.155 175.800 -0.088 0.000 1.175 967 F CA -2.645 55.376 58.000 0.033 0.000 1.080 967 F CB -1.179 37.829 39.000 0.013 0.000 1.341 967 F HN 0.187 nan 8.300 nan 0.000 0.518 968 P HA 0.082 nan 4.420 nan 0.000 0.271 968 P C -0.974 176.329 177.300 0.005 0.000 1.216 968 P CA -0.146 62.843 63.100 -0.187 0.000 0.776 968 P CB 0.235 31.662 31.700 -0.455 0.000 0.881 969 E N 2.020 122.249 120.200 0.048 0.000 2.406 969 E HA 0.036 4.387 4.350 0.002 0.000 0.258 969 E C -0.310 176.375 176.600 0.142 0.000 1.043 969 E CA -0.180 56.279 56.400 0.098 0.000 0.929 969 E CB -0.016 29.752 29.700 0.114 0.000 0.969 969 E HN 0.330 nan 8.360 nan 0.000 0.462 970 L N 6.733 128.032 121.223 0.127 0.000 2.433 970 L HA 0.145 4.486 4.340 0.002 0.000 0.275 970 L C -1.864 175.130 176.870 0.207 0.000 1.128 970 L CA -1.351 53.581 54.840 0.154 0.000 0.875 970 L CB -0.507 41.578 42.059 0.044 0.000 1.171 970 L HN 0.324 nan 8.230 nan 0.000 0.463 971 P HA -0.001 nan 4.420 nan 0.000 0.271 971 P C -0.822 176.590 177.300 0.187 0.000 1.238 971 P CA -0.385 62.841 63.100 0.209 0.000 0.794 971 P CB 0.422 32.245 31.700 0.203 0.000 0.959 972 D N -0.526 119.946 120.400 0.120 0.000 2.210 972 D HA 0.015 4.657 4.640 0.002 0.000 0.249 972 D C 0.828 177.185 176.300 0.096 0.000 1.078 972 D CA -0.442 53.637 54.000 0.132 0.000 0.875 972 D CB 0.335 41.188 40.800 0.089 0.000 1.175 972 D HN 0.431 nan 8.370 nan 0.000 0.440 973 W N 3.493 124.771 121.300 -0.037 0.000 2.335 973 W HA -0.222 4.440 4.660 0.002 0.000 0.311 973 W C 0.255 176.719 176.519 -0.091 0.000 1.213 973 W CA 1.399 58.669 57.345 -0.126 0.000 1.274 973 W CB 0.238 29.685 29.460 -0.023 0.000 1.148 973 W HN 0.514 nan 8.180 nan 0.000 0.498 974 D N -0.143 120.180 120.400 -0.128 0.000 2.146 974 D HA -0.128 4.513 4.640 0.002 0.000 0.209 974 D C 2.196 178.366 176.300 -0.216 0.000 0.973 974 D CA 1.361 55.213 54.000 -0.246 0.000 0.860 974 D CB -0.493 40.275 40.800 -0.054 0.000 1.015 974 D HN 0.004 nan 8.370 nan 0.000 0.465 975 K N 0.238 120.573 120.400 -0.109 0.000 2.097 975 K HA -0.094 4.228 4.320 0.002 0.000 0.206 975 K C 0.931 177.454 176.600 -0.128 0.000 1.049 975 K CA 1.108 57.339 56.287 -0.094 0.000 0.933 975 K CB 0.097 32.576 32.500 -0.036 0.000 0.717 975 K HN 0.205 nan 8.250 nan 0.000 0.442 976 D N -0.481 119.833 120.400 -0.143 0.000 2.470 976 D HA 0.123 4.764 4.640 0.002 0.000 0.238 976 D C 1.883 178.041 176.300 -0.238 0.000 1.054 976 D CA 0.485 54.395 54.000 -0.151 0.000 0.896 976 D CB 0.628 41.381 40.800 -0.078 0.000 1.118 976 D HN 0.095 nan 8.370 nan 0.000 0.497 977 I N 0.381 120.755 120.570 -0.327 0.000 3.039 977 I HA -0.000 4.171 4.170 0.002 0.000 0.270 977 I C 2.354 178.125 176.117 -0.577 0.000 1.150 977 I CA 0.096 61.149 61.300 -0.412 0.000 1.448 977 I CB -0.045 37.723 38.000 -0.387 0.000 1.197 977 I HN -0.218 nan 8.210 nan 0.000 0.450 978 K N 1.708 121.621 120.400 -0.812 0.000 2.059 978 K HA -0.180 4.141 4.320 0.002 0.000 0.212 978 K C -0.694 175.664 176.600 -0.402 0.000 1.050 978 K CA 2.032 57.865 56.287 -0.756 0.000 0.927 978 K CB -0.874 31.207 32.500 -0.698 0.000 0.714 978 K HN 0.184 nan 8.250 nan 0.000 0.447 979 P HA -0.118 nan 4.420 nan 0.000 0.229 979 P C 0.455 177.646 177.300 -0.181 0.000 1.150 979 P CA 1.137 64.110 63.100 -0.211 0.000 0.765 979 P CB 0.133 31.720 31.700 -0.187 0.000 0.783 980 L N -2.364 118.730 121.223 -0.215 0.000 2.609 980 L HA 0.182 4.524 4.340 0.002 0.000 0.230 980 L C 2.133 178.942 176.870 -0.102 0.000 1.064 980 L CA 0.217 54.962 54.840 -0.158 0.000 0.873 980 L CB -0.844 41.076 42.059 -0.232 0.000 1.139 980 L HN -0.163 nan 8.230 nan 0.000 0.490 981 N N 1.052 119.668 118.700 -0.138 0.000 2.091 981 N HA -0.260 4.482 4.740 0.002 0.000 0.193 981 N C 1.401 176.902 175.510 -0.015 0.000 1.021 981 N CA 1.920 54.939 53.050 -0.053 0.000 0.862 981 N CB -0.084 38.350 38.487 -0.089 0.000 1.018 981 N HN 0.230 nan 8.380 nan 0.000 0.429 982 D N 0.261 120.635 120.400 -0.045 0.000 2.133 982 D HA -0.166 4.476 4.640 0.002 0.000 0.195 982 D C 1.919 178.210 176.300 -0.015 0.000 0.997 982 D CA 1.113 55.098 54.000 -0.025 0.000 0.840 982 D CB -0.231 40.545 40.800 -0.040 0.000 0.947 982 D HN 0.547 nan 8.370 nan 0.000 0.452 983 Q N -0.465 119.324 119.800 -0.018 0.000 2.096 983 Q HA 0.069 4.410 4.340 0.002 0.000 0.197 983 Q C 2.214 178.214 176.000 -0.000 0.000 0.964 983 Q CA 0.555 56.353 55.803 -0.008 0.000 0.838 983 Q CB 0.210 28.949 28.738 0.001 0.000 0.906 983 Q HN 0.278 nan 8.270 nan 0.000 0.444 984 L N 0.117 121.350 121.223 0.017 0.000 2.585 984 L HA 0.140 4.482 4.340 0.002 0.000 0.226 984 L C 0.939 177.830 176.870 0.036 0.000 1.113 984 L CA -0.198 54.661 54.840 0.032 0.000 0.876 984 L CB 0.136 42.246 42.059 0.085 0.000 1.072 984 L HN 0.071 nan 8.230 nan 0.000 0.468 985 R N 1.088 121.615 120.500 0.045 0.000 2.480 985 R HA 0.085 4.426 4.340 0.002 0.000 0.303 985 R C 1.094 177.413 176.300 0.032 0.000 0.985 985 R CA 0.945 57.083 56.100 0.062 0.000 1.051 985 R CB 0.168 30.512 30.300 0.074 0.000 0.935 985 R HN 0.308 nan 8.270 nan 0.000 0.410 986 G N 4.590 113.412 108.800 0.037 0.000 2.180 986 G HA2 -0.267 3.694 3.960 0.002 0.000 0.263 986 G HA3 -0.267 3.694 3.960 0.002 0.000 0.263 986 G C 0.642 175.537 174.900 -0.009 0.000 0.989 986 G CA 0.434 45.544 45.100 0.018 0.000 0.692 986 G HN 0.564 nan 8.290 nan 0.000 0.526 987 M N -0.297 119.287 119.600 -0.028 0.000 2.628 987 M HA 0.363 4.844 4.480 0.002 0.000 0.232 987 M C 0.522 176.769 176.300 -0.088 0.000 1.128 987 M CA 0.463 55.730 55.300 -0.055 0.000 1.040 987 M CB -0.102 32.459 32.600 -0.065 0.000 1.608 987 M HN 0.106 nan 8.290 nan 0.000 0.507 988 V N 0.749 120.609 119.914 -0.090 0.000 2.817 988 V HA 0.244 4.366 4.120 0.002 0.000 0.303 988 V C -0.690 175.374 176.094 -0.049 0.000 1.151 988 V CA -1.370 60.849 62.300 -0.134 0.000 0.929 988 V CB 2.763 34.366 31.823 -0.366 0.000 1.030 988 V HN 0.215 nan 8.190 nan 0.000 0.427 989 N N 4.843 123.529 118.700 -0.024 0.000 2.405 989 N HA 0.220 4.961 4.740 0.002 0.000 0.260 989 N C 0.675 176.204 175.510 0.031 0.000 1.152 989 N CA -0.028 53.024 53.050 0.004 0.000 0.948 989 N CB 0.784 39.268 38.487 -0.005 0.000 1.111 989 N HN 0.689 nan 8.380 nan 0.000 0.485 990 L N 1.685 122.935 121.223 0.045 0.000 2.675 990 L HA 0.013 4.355 4.340 0.002 0.000 0.238 990 L C 0.786 177.691 176.870 0.059 0.000 1.155 990 L CA 0.430 55.315 54.840 0.074 0.000 0.881 990 L CB -0.188 41.914 42.059 0.071 0.000 1.008 990 L HN 0.513 nan 8.230 nan 0.000 0.443 991 D N -0.065 120.356 120.400 0.036 0.000 2.407 991 D HA -0.007 4.635 4.640 0.002 0.000 0.208 991 D C 1.123 177.427 176.300 0.006 0.000 1.083 991 D CA 0.496 54.508 54.000 0.020 0.000 0.844 991 D CB 0.510 41.313 40.800 0.006 0.000 0.967 991 D HN 0.045 nan 8.370 nan 0.000 0.506 992 K N 0.017 120.426 120.400 0.015 0.000 2.676 992 K HA 0.258 4.579 4.320 0.002 0.000 0.205 992 K C -0.961 175.680 176.600 0.068 0.000 1.084 992 K CA -0.171 56.113 56.287 -0.005 0.000 1.057 992 K CB 2.413 34.889 32.500 -0.041 0.000 0.791 992 K HN -0.105 nan 8.250 nan 0.000 0.484 993 V N 2.085 122.073 119.914 0.124 0.000 2.357 993 V HA 0.253 4.375 4.120 0.002 0.000 0.284 993 V C -0.177 176.028 176.094 0.186 0.000 1.018 993 V CA -0.824 61.620 62.300 0.239 0.000 0.841 993 V CB 1.728 33.753 31.823 0.337 0.000 0.991 993 V HN -0.092 nan 8.190 nan 0.000 0.437 994 V N 6.144 126.196 119.914 0.230 0.000 2.427 994 V HA 0.548 4.669 4.120 0.002 0.000 0.286 994 V C -0.093 176.084 176.094 0.138 0.000 1.034 994 V CA -0.498 61.919 62.300 0.195 0.000 0.893 994 V CB 1.761 33.786 31.823 0.336 0.000 0.982 994 V HN 0.547 nan 8.190 nan 0.000 0.452 995 V N 4.979 124.950 119.914 0.094 0.000 2.709 995 V HA 0.391 4.512 4.120 0.002 0.000 0.308 995 V C -0.327 175.812 176.094 0.073 0.000 1.062 995 V CA -0.616 61.716 62.300 0.053 0.000 0.901 995 V CB 2.620 34.459 31.823 0.025 0.000 1.003 995 V HN 0.637 nan 8.190 nan 0.000 0.425 996 V N 4.355 124.315 119.914 0.076 0.000 2.387 996 V HA 0.171 4.293 4.120 0.002 0.000 0.260 996 V C 1.200 177.385 176.094 0.152 0.000 1.054 996 V CA 0.668 63.025 62.300 0.096 0.000 0.967 996 V CB 0.789 32.663 31.823 0.085 0.000 1.036 996 V HN 1.063 nan 8.190 nan 0.000 0.481 997 T N 3.407 118.047 114.554 0.143 0.000 3.039 997 T HA 0.288 4.639 4.350 0.002 0.000 0.250 997 T C 0.768 175.591 174.700 0.205 0.000 1.052 997 T CA 0.823 63.037 62.100 0.189 0.000 1.125 997 T CB 0.105 69.056 68.868 0.138 0.000 0.908 997 T HN 0.780 nan 8.240 nan 0.000 0.473 998 G N 0.851 109.701 108.800 0.084 0.000 2.569 998 G HA2 0.657 4.618 3.960 0.002 0.000 0.300 998 G HA3 0.657 4.618 3.960 0.002 0.000 0.300 998 G C -2.007 172.801 174.900 -0.154 0.000 1.269 998 G CA -0.430 44.671 45.100 0.002 0.000 0.959 998 G HN 0.294 nan 8.290 nan 0.000 0.478 999 L N 0.467 121.562 121.223 -0.214 0.000 2.614 999 L HA 0.702 5.043 4.340 0.002 0.000 0.264 999 L C -0.870 175.936 176.870 -0.108 0.000 0.940 999 L CA -0.369 54.320 54.840 -0.251 0.000 0.903 999 L CB 1.223 42.921 42.059 -0.601 0.000 1.306 999 L HN 1.049 nan 8.230 nan 0.000 0.410 1000 A N 4.417 127.228 122.820 -0.014 0.000 2.588 1000 A HA 0.906 5.227 4.320 0.002 0.000 0.290 1000 A C -1.502 176.127 177.584 0.075 0.000 1.136 1000 A CA -0.346 51.715 52.037 0.040 0.000 0.681 1000 A CB 2.311 21.367 19.000 0.093 0.000 1.282 1000 A HN 0.738 nan 8.150 nan 0.000 0.421 1001 E N -0.461 119.783 120.200 0.073 0.000 2.388 1001 E HA 0.569 4.920 4.350 0.002 0.000 0.282 1001 E C -2.130 174.487 176.600 0.029 0.000 1.026 1001 E CA -0.720 55.739 56.400 0.100 0.000 0.820 1001 E CB 1.088 30.786 29.700 -0.004 0.000 1.226 1001 E HN 0.385 nan 8.360 nan 0.000 0.432 1002 I N 1.605 122.205 120.570 0.050 0.000 2.447 1002 I HA 0.748 4.919 4.170 0.002 0.000 0.287 1002 I C 0.177 176.204 176.117 -0.151 0.000 1.023 1002 I CA 0.114 61.338 61.300 -0.127 0.000 1.083 1002 I CB 1.786 39.628 38.000 -0.264 0.000 1.245 1002 I HN 0.796 nan 8.210 nan 0.000 0.434 1003 G N 5.353 113.980 108.800 -0.288 0.000 2.682 1003 G HA2 0.451 4.412 3.960 0.002 0.000 0.303 1003 G HA3 0.451 4.412 3.960 0.002 0.000 0.303 1003 G C -2.661 172.082 174.900 -0.261 0.000 1.341 1003 G CA -0.734 44.205 45.100 -0.269 0.000 0.784 1003 G HN 0.245 nan 8.290 nan 0.000 0.497 1004 P HA -0.003 nan 4.420 nan 0.000 0.223 1004 P C 0.411 177.438 177.300 -0.455 0.000 1.144 1004 P CA 1.180 64.105 63.100 -0.292 0.000 0.783 1004 P CB 0.138 31.684 31.700 -0.256 0.000 0.771 1005 W N -1.149 120.083 121.300 -0.114 0.000 2.870 1005 W HA 0.440 5.101 4.660 0.002 0.000 0.358 1005 W C 0.945 177.490 176.519 0.043 0.000 1.043 1005 W CA 0.615 57.958 57.345 -0.003 0.000 1.692 1005 W CB 0.803 30.244 29.460 -0.031 0.000 1.100 1005 W HN -0.053 nan 8.180 nan 0.000 0.557 1006 G N 1.246 110.117 108.800 0.119 0.000 2.422 1006 G HA2 -0.208 3.753 3.960 0.002 0.000 0.607 1006 G HA3 -0.208 3.753 3.960 0.002 0.000 0.607 1006 G C -0.461 174.483 174.900 0.074 0.000 1.270 1006 G CA -0.762 44.424 45.100 0.143 0.000 0.992 1006 G HN 0.140 nan 8.290 nan 0.000 0.499 1007 N N 0.336 119.136 118.700 0.167 0.000 2.297 1007 N HA 0.479 5.220 4.740 0.002 0.000 0.232 1007 N C 1.710 177.252 175.510 0.053 0.000 1.311 1007 N CA 1.087 54.209 53.050 0.121 0.000 0.897 1007 N CB 0.365 38.991 38.487 0.232 0.000 1.137 1007 N HN 1.735 nan 8.380 nan 0.000 0.449 1008 A N 0.587 123.411 122.820 0.006 0.000 1.986 1008 A HA -0.258 4.063 4.320 0.002 0.000 0.220 1008 A C 2.145 179.746 177.584 0.027 0.000 1.171 1008 A CA 1.532 53.551 52.037 -0.029 0.000 0.640 1008 A CB -0.657 18.312 19.000 -0.051 0.000 0.811 1008 A HN 0.742 nan 8.150 nan 0.000 0.451 1009 R N -0.706 119.817 120.500 0.039 0.000 2.082 1009 R HA -0.134 4.207 4.340 0.002 0.000 0.234 1009 R C 2.568 178.910 176.300 0.069 0.000 1.136 1009 R CA 2.154 58.278 56.100 0.040 0.000 0.935 1009 R CB -1.149 29.148 30.300 -0.005 0.000 0.842 1009 R HN 0.756 nan 8.270 nan 0.000 0.430 1010 T N -0.387 114.233 114.554 0.110 0.000 2.788 1010 T HA -0.151 4.200 4.350 0.002 0.000 0.268 1010 T C 2.007 176.698 174.700 -0.015 0.000 1.044 1010 T CA 0.913 63.090 62.100 0.128 0.000 1.139 1010 T CB -0.191 68.902 68.868 0.374 0.000 0.867 1010 T HN 0.086 nan 8.240 nan 0.000 0.454 1011 R N 0.063 120.584 120.500 0.034 0.000 2.066 1011 R HA -0.077 4.264 4.340 0.002 0.000 0.232 1011 R C 2.269 178.500 176.300 -0.116 0.000 1.131 1011 R CA 1.548 57.620 56.100 -0.048 0.000 0.955 1011 R CB -0.999 29.258 30.300 -0.071 0.000 0.851 1011 R HN 0.763 nan 8.270 nan 0.000 0.432 1012 W N 2.079 123.263 121.300 -0.193 0.000 2.333 1012 W HA -0.219 4.442 4.660 0.002 0.000 0.316 1012 W C 1.492 177.894 176.519 -0.194 0.000 1.215 1012 W CA 1.504 58.752 57.345 -0.163 0.000 1.278 1012 W CB -0.194 29.202 29.460 -0.107 0.000 1.154 1012 W HN 0.215 nan 8.180 nan 0.000 0.486 1013 E N 0.215 120.238 120.200 -0.296 0.000 2.086 1013 E HA -0.342 4.009 4.350 0.002 0.000 0.200 1013 E C 1.988 178.237 176.600 -0.584 0.000 1.012 1013 E CA 2.313 58.404 56.400 -0.515 0.000 0.812 1013 E CB -0.548 28.817 29.700 -0.558 0.000 0.743 1013 E HN 0.288 nan 8.360 nan 0.000 0.453 1014 M N 0.739 119.927 119.600 -0.687 0.000 2.123 1014 M HA -0.123 4.358 4.480 0.002 0.000 0.263 1014 M C 2.035 178.008 176.300 -0.545 0.000 1.069 1014 M CA 1.564 56.436 55.300 -0.713 0.000 1.133 1014 M CB 0.008 31.998 32.600 -1.017 0.000 1.356 1014 M HN -0.023 nan 8.290 nan 0.000 0.415 1015 E N -0.589 119.299 120.200 -0.520 0.000 2.153 1015 E HA -0.180 4.171 4.350 0.002 0.000 0.194 1015 E C 1.488 177.836 176.600 -0.420 0.000 0.988 1015 E CA 1.368 57.525 56.400 -0.404 0.000 0.811 1015 E CB 0.009 29.535 29.700 -0.290 0.000 0.746 1015 E HN 0.592 nan 8.360 nan 0.000 0.466 1016 A N -0.363 122.056 122.820 -0.669 0.000 1.919 1016 A HA 0.048 4.369 4.320 0.002 0.000 0.211 1016 A C 1.659 178.969 177.584 -0.457 0.000 1.310 1016 A CA 0.371 51.973 52.037 -0.725 0.000 0.651 1016 A CB -0.619 17.587 19.000 -1.323 0.000 0.996 1016 A HN 0.295 nan 8.150 nan 0.000 0.479 1017 Y N -0.445 119.543 120.300 -0.519 0.000 2.337 1017 Y HA 0.269 4.820 4.550 0.002 0.000 0.293 1017 Y C 2.159 177.895 175.900 -0.273 0.000 1.123 1017 Y CA 0.703 58.598 58.100 -0.341 0.000 1.201 1017 Y CB -0.191 38.089 38.460 -0.301 0.000 1.011 1017 Y HN 0.535 nan 8.280 nan 0.000 0.545 1018 G N 0.052 108.751 108.800 -0.167 0.000 2.176 1018 G HA2 -0.250 3.712 3.960 0.002 0.000 0.232 1018 G HA3 -0.250 3.712 3.960 0.002 0.000 0.232 1018 G C 0.212 175.037 174.900 -0.124 0.000 0.986 1018 G CA 0.305 45.308 45.100 -0.162 0.000 0.643 1018 G HN 0.542 nan 8.290 nan 0.000 0.522 1019 K N -1.348 118.977 120.400 -0.126 0.000 2.615 1019 K HA 0.731 5.052 4.320 0.002 0.000 0.291 1019 K C -1.259 175.280 176.600 -0.101 0.000 1.017 1019 K CA -1.288 54.985 56.287 -0.022 0.000 0.882 1019 K CB 0.626 33.165 32.500 0.065 0.000 1.522 1019 K HN 0.031 nan 8.250 nan 0.000 0.412 1020 F N 1.928 121.869 119.950 -0.015 0.000 2.396 1020 F HA 0.292 4.821 4.527 0.002 0.000 0.343 1020 F C 0.958 176.755 175.800 -0.005 0.000 1.104 1020 F CA 0.009 58.005 58.000 -0.007 0.000 1.161 1020 F CB 1.744 40.772 39.000 0.046 0.000 1.146 1020 F HN 0.680 nan 8.300 nan 0.000 0.522 1021 S N 3.954 119.705 115.700 0.085 0.000 2.608 1021 S HA 0.115 4.586 4.470 0.002 0.000 0.261 1021 S C 1.189 175.866 174.600 0.128 0.000 1.314 1021 S CA -0.849 57.389 58.200 0.062 0.000 0.992 1021 S CB 0.703 63.892 63.200 -0.018 0.000 0.935 1021 S HN 0.722 nan 8.310 nan 0.000 0.564 1022 L N 0.502 121.784 121.223 0.099 0.000 2.079 1022 L HA -0.102 4.239 4.340 0.002 0.000 0.210 1022 L C 2.326 179.277 176.870 0.134 0.000 1.081 1022 L CA 2.166 57.072 54.840 0.111 0.000 0.752 1022 L CB -1.595 40.520 42.059 0.094 0.000 0.896 1022 L HN 0.832 nan 8.230 nan 0.000 0.433 1023 E N -0.412 119.860 120.200 0.121 0.000 2.110 1023 E HA -0.139 4.212 4.350 0.002 0.000 0.193 1023 E C 2.055 178.753 176.600 0.163 0.000 0.988 1023 E CA 1.263 57.745 56.400 0.136 0.000 0.804 1023 E CB -0.518 29.238 29.700 0.093 0.000 0.745 1023 E HN 0.592 nan 8.360 nan 0.000 0.458 1024 G N -0.324 108.588 108.800 0.186 0.000 2.394 1024 G HA2 -0.253 3.708 3.960 0.002 0.000 0.214 1024 G HA3 -0.253 3.708 3.960 0.002 0.000 0.214 1024 G C 1.784 176.897 174.900 0.355 0.000 1.176 1024 G CA 0.818 46.110 45.100 0.320 0.000 0.786 1024 G HN 0.340 nan 8.290 nan 0.000 0.533 1025 C N -0.020 119.437 119.300 0.263 0.000 2.393 1025 C HA -0.081 4.380 4.460 0.002 0.000 0.276 1025 C C 3.086 178.134 174.990 0.097 0.000 1.215 1025 C CA 1.001 60.090 59.018 0.117 0.000 1.743 1025 C CB -0.980 26.819 27.740 0.099 0.000 2.044 1025 C HN 0.288 nan 8.230 nan 0.000 0.464 1026 V N 0.557 120.539 119.914 0.114 0.000 2.324 1026 V HA -0.267 3.854 4.120 0.002 0.000 0.250 1026 V C 2.415 178.558 176.094 0.082 0.000 1.060 1026 V CA 2.112 64.450 62.300 0.063 0.000 1.042 1026 V CB -0.733 31.186 31.823 0.161 0.000 0.650 1026 V HN 0.613 nan 8.190 nan 0.000 0.450 1027 E N -0.727 119.572 120.200 0.166 0.000 2.031 1027 E HA -0.215 4.136 4.350 0.002 0.000 0.193 1027 E C 2.352 179.108 176.600 0.260 0.000 0.994 1027 E CA 1.476 58.005 56.400 0.215 0.000 0.800 1027 E CB -0.187 29.657 29.700 0.239 0.000 0.752 1027 E HN 0.424 nan 8.360 nan 0.000 0.447 1028 M N 0.281 120.005 119.600 0.207 0.000 2.065 1028 M HA -0.139 4.342 4.480 0.002 0.000 0.259 1028 M C 2.535 178.860 176.300 0.042 0.000 1.069 1028 M CA 1.305 56.690 55.300 0.142 0.000 1.110 1028 M CB -1.161 31.444 32.600 0.009 0.000 1.328 1028 M HN 0.074 nan 8.290 nan 0.000 0.405 1029 A N -1.121 121.686 122.820 -0.021 0.000 2.076 1029 A HA -0.226 4.095 4.320 0.002 0.000 0.220 1029 A C 2.008 179.469 177.584 -0.206 0.000 1.160 1029 A CA 1.550 53.496 52.037 -0.152 0.000 0.653 1029 A CB -1.155 17.798 19.000 -0.078 0.000 0.801 1029 A HN 0.745 nan 8.150 nan 0.000 0.455 1030 W N 0.854 121.973 121.300 -0.302 0.000 2.441 1030 W HA -0.131 4.530 4.660 0.002 0.000 0.302 1030 W C 2.299 178.653 176.519 -0.274 0.000 1.191 1030 W CA 1.807 58.946 57.345 -0.345 0.000 1.327 1030 W CB -0.210 29.075 29.460 -0.292 0.000 1.128 1030 W HN 0.405 nan 8.180 nan 0.000 0.522 1031 M N -0.621 118.946 119.600 -0.054 0.000 2.254 1031 M HA -0.030 4.452 4.480 0.002 0.000 0.265 1031 M C 1.788 177.891 176.300 -0.328 0.000 1.066 1031 M CA 1.640 56.719 55.300 -0.368 0.000 1.123 1031 M CB -0.860 31.883 32.600 0.238 0.000 1.388 1031 M HN -0.007 nan 8.290 nan 0.000 0.425 1032 M N 1.145 120.633 119.600 -0.187 0.000 2.549 1032 M HA 0.068 4.549 4.480 0.002 0.000 0.260 1032 M C 1.013 177.105 176.300 -0.348 0.000 1.076 1032 M CA 1.333 56.510 55.300 -0.205 0.000 1.090 1032 M CB -0.371 32.116 32.600 -0.188 0.000 1.418 1032 M HN 0.783 nan 8.290 nan 0.000 0.486 1033 G N 0.755 109.279 108.800 -0.460 0.000 2.171 1033 G HA2 -0.227 3.735 3.960 0.002 0.000 0.238 1033 G HA3 -0.227 3.735 3.960 0.002 0.000 0.238 1033 G C 0.400 175.024 174.900 -0.460 0.000 1.039 1033 G CA -0.107 44.702 45.100 -0.484 0.000 0.759 1033 G HN 0.484 nan 8.290 nan 0.000 0.501 1034 L N -0.470 120.431 121.223 -0.537 0.000 2.477 1034 L HA 0.435 4.776 4.340 0.002 0.000 0.220 1034 L C 1.399 177.941 176.870 -0.547 0.000 1.106 1034 L CA 0.571 54.999 54.840 -0.686 0.000 0.851 1034 L CB -0.125 41.267 42.059 -1.111 0.000 0.994 1034 L HN 0.576 nan 8.230 nan 0.000 0.462 1035 I N -1.449 118.870 120.570 -0.418 0.000 2.692 1035 I HA 0.482 4.654 4.170 0.002 0.000 0.293 1035 I C -1.230 174.767 176.117 -0.200 0.000 1.200 1035 I CA -0.835 60.305 61.300 -0.267 0.000 1.036 1035 I CB 2.229 40.013 38.000 -0.359 0.000 1.258 1035 I HN -0.030 nan 8.210 nan 0.000 0.421 1036 K N 3.226 123.652 120.400 0.044 0.000 2.426 1036 K HA 0.429 4.750 4.320 0.002 0.000 0.251 1036 K C -1.220 175.681 176.600 0.502 0.000 0.941 1036 K CA -0.786 55.631 56.287 0.218 0.000 0.808 1036 K CB 2.261 34.797 32.500 0.061 0.000 1.265 1036 K HN 0.636 nan 8.250 nan 0.000 0.432 1037 N N 2.345 121.411 118.700 0.611 0.000 2.468 1037 N HA -0.039 4.702 4.740 0.002 0.000 0.265 1037 N C -1.094 174.581 175.510 0.275 0.000 1.199 1037 N CA 0.211 53.494 53.050 0.387 0.000 0.928 1037 N CB 0.455 39.010 38.487 0.114 0.000 1.059 1037 N HN 0.635 nan 8.380 nan 0.000 0.467 1038 H N 3.319 122.477 119.070 0.147 0.000 2.569 1038 H HA 0.272 4.829 4.556 0.002 0.000 0.357 1038 H C -1.169 174.182 175.328 0.038 0.000 1.153 1038 H CA -0.574 55.544 56.048 0.117 0.000 1.193 1038 H CB 1.272 31.151 29.762 0.195 0.000 1.602 1038 H HN 0.683 nan 8.280 nan 0.000 0.523 1039 N N 3.249 121.550 118.700 -0.666 0.000 2.751 1039 N HA 0.321 5.062 4.740 0.002 0.000 0.238 1039 N C -1.385 173.842 175.510 -0.471 0.000 1.351 1039 N CA -0.144 52.633 53.050 -0.456 0.000 0.751 1039 N CB 0.856 39.196 38.487 -0.245 0.000 1.342 1039 N HN 0.902 nan 8.380 nan 0.000 0.540 1040 G N 1.858 110.385 108.800 -0.454 0.000 2.320 1040 G HA2 0.219 4.181 3.960 0.002 0.000 0.296 1040 G HA3 0.219 4.181 3.960 0.002 0.000 0.296 1040 G C -3.326 171.618 174.900 0.074 0.000 1.306 1040 G CA -0.656 44.344 45.100 -0.166 0.000 0.836 1040 G HN 0.093 nan 8.290 nan 0.000 0.517 1041 P HA 0.347 nan 4.420 nan 0.000 0.265 1041 P C -0.439 177.004 177.300 0.239 0.000 1.193 1041 P CA 0.057 63.249 63.100 0.153 0.000 0.765 1041 P CB 0.621 32.377 31.700 0.093 0.000 0.823 1042 L N 4.884 126.221 121.223 0.191 0.000 2.401 1042 L HA 0.261 4.602 4.340 0.002 0.000 0.263 1042 L C 0.112 176.997 176.870 0.024 0.000 1.004 1042 L CA -0.529 54.371 54.840 0.099 0.000 0.881 1042 L CB 0.664 42.758 42.059 0.058 0.000 1.219 1042 L HN 0.537 nan 8.230 nan 0.000 0.441 1043 K N 2.781 123.188 120.400 0.012 0.000 3.239 1043 K HA -0.240 4.081 4.320 0.002 0.000 0.270 1043 K C 0.832 177.441 176.600 0.015 0.000 1.049 1043 K CA 0.458 56.745 56.287 0.001 0.000 0.769 1043 K CB -1.380 31.108 32.500 -0.020 0.000 1.305 1043 K HN 1.121 nan 8.250 nan 0.000 0.469 1044 G N 0.758 109.576 108.800 0.030 0.000 5.347 1044 G HA2 -0.430 3.531 3.960 0.002 0.000 0.299 1044 G HA3 -0.430 3.531 3.960 0.002 0.000 0.299 1044 G C 0.063 174.989 174.900 0.044 0.000 1.492 1044 G CA 0.428 45.547 45.100 0.031 0.000 0.991 1044 G HN 0.432 nan 8.290 nan 0.000 0.749 1045 K N 3.217 123.642 120.400 0.042 0.000 2.491 1045 K HA 0.326 4.648 4.320 0.002 0.000 0.279 1045 K C -2.003 174.653 176.600 0.092 0.000 1.026 1045 K CA -0.473 55.848 56.287 0.056 0.000 1.070 1045 K CB 0.480 33.009 32.500 0.049 0.000 0.887 1045 K HN 0.226 nan 8.250 nan 0.000 0.481 1046 P HA 0.074 nan 4.420 nan 0.000 0.273 1046 P C -1.564 175.863 177.300 0.212 0.000 1.250 1046 P CA 0.001 63.173 63.100 0.120 0.000 0.793 1046 P CB 0.241 31.978 31.700 0.062 0.000 1.011 1047 Y N -0.887 119.431 120.300 0.030 0.000 2.583 1047 Y HA 0.429 4.980 4.550 0.002 0.000 0.330 1047 Y C -1.558 174.346 175.900 0.007 0.000 1.185 1047 Y CA -0.420 57.705 58.100 0.042 0.000 1.107 1047 Y CB 0.891 39.410 38.460 0.099 0.000 1.344 1047 Y HN 0.526 nan 8.280 nan 0.000 0.463 1048 S N 3.647 118.827 115.700 -0.868 0.000 2.588 1048 S HA 0.994 5.466 4.470 0.002 0.000 0.275 1048 S C -0.314 173.725 174.600 -0.934 0.000 1.130 1048 S CA 0.071 57.863 58.200 -0.680 0.000 0.855 1048 S CB 1.694 64.668 63.200 -0.377 0.000 1.116 1048 S HN 2.369 nan 8.310 nan 0.000 0.472 1049 G N 0.714 109.221 108.800 -0.487 0.000 2.409 1049 G HA2 -0.061 3.901 3.960 0.002 0.000 0.421 1049 G HA3 -0.061 3.901 3.960 0.002 0.000 0.421 1049 G C -1.031 173.873 174.900 0.007 0.000 1.259 1049 G CA -0.621 44.261 45.100 -0.363 0.000 1.011 1049 G HN 0.929 nan 8.290 nan 0.000 0.497 1050 W N -0.577 120.806 121.300 0.140 0.000 2.193 1050 W HA 0.471 5.132 4.660 0.002 0.000 0.338 1050 W C 0.546 177.224 176.519 0.265 0.000 1.310 1050 W CA -0.528 56.933 57.345 0.193 0.000 1.243 1050 W CB 0.960 30.521 29.460 0.169 0.000 1.165 1050 W HN 0.347 nan 8.180 nan 0.000 0.566 1051 V N 3.358 123.590 119.914 0.530 0.000 2.841 1051 V HA 0.055 4.176 4.120 0.002 0.000 0.310 1051 V C -0.395 175.804 176.094 0.174 0.000 1.090 1051 V CA -0.916 61.567 62.300 0.304 0.000 0.930 1051 V CB 2.005 33.979 31.823 0.252 0.000 1.014 1051 V HN 0.348 nan 8.190 nan 0.000 0.425 1052 D N 2.729 123.196 120.400 0.112 0.000 2.417 1052 D HA 0.251 4.892 4.640 0.002 0.000 0.250 1052 D C 0.964 177.248 176.300 -0.026 0.000 1.166 1052 D CA 0.679 54.714 54.000 0.059 0.000 0.881 1052 D CB 2.059 42.911 40.800 0.087 0.000 1.164 1052 D HN 0.660 nan 8.370 nan 0.000 0.467 1053 A N 5.898 128.656 122.820 -0.104 0.000 1.902 1053 A HA -0.183 4.139 4.320 0.002 0.000 0.217 1053 A C 1.994 179.511 177.584 -0.111 0.000 1.181 1053 A CA 1.117 53.078 52.037 -0.127 0.000 0.623 1053 A CB -0.097 18.780 19.000 -0.206 0.000 0.818 1053 A HN 0.531 nan 8.150 nan 0.000 0.443 1054 K N -0.361 119.970 120.400 -0.116 0.000 1.986 1054 K HA -0.044 4.277 4.320 0.002 0.000 0.215 1054 K C 1.131 177.696 176.600 -0.059 0.000 1.033 1054 K CA 1.253 57.487 56.287 -0.088 0.000 0.962 1054 K CB -1.464 30.985 32.500 -0.086 0.000 0.755 1054 K HN 0.376 nan 8.250 nan 0.000 0.444 1055 T N 0.991 115.522 114.554 -0.039 0.000 2.769 1055 T HA 0.171 4.523 4.350 0.002 0.000 0.293 1055 T C 1.182 175.858 174.700 -0.041 0.000 0.931 1055 T CA -0.067 62.014 62.100 -0.032 0.000 1.139 1055 T CB 0.555 69.415 68.868 -0.014 0.000 0.881 1055 T HN 0.390 nan 8.240 nan 0.000 0.532 1056 G N 4.411 113.176 108.800 -0.059 0.000 2.615 1056 G HA2 -0.052 3.909 3.960 0.002 0.000 0.213 1056 G HA3 -0.052 3.909 3.960 0.002 0.000 0.213 1056 G C 0.637 175.479 174.900 -0.097 0.000 1.135 1056 G CA 0.030 45.079 45.100 -0.086 0.000 0.772 1056 G HN 0.733 nan 8.290 nan 0.000 0.542 1057 E N 0.707 120.866 120.200 -0.068 0.000 2.425 1057 E HA 0.137 4.488 4.350 0.002 0.000 0.258 1057 E C -2.220 174.341 176.600 -0.065 0.000 1.151 1057 E CA -1.392 54.960 56.400 -0.080 0.000 0.958 1057 E CB 0.214 29.884 29.700 -0.050 0.000 0.968 1057 E HN 0.103 nan 8.360 nan 0.000 0.451 1058 P HA 0.258 nan 4.420 nan 0.000 0.281 1058 P C -0.839 176.500 177.300 0.064 0.000 1.264 1058 P CA -0.472 62.586 63.100 -0.070 0.000 0.824 1058 P CB 0.859 32.280 31.700 -0.465 0.000 1.092 1059 V N 1.213 121.248 119.914 0.201 0.000 2.733 1059 V HA 0.262 4.383 4.120 0.002 0.000 0.306 1059 V C -0.733 175.502 176.094 0.235 0.000 1.084 1059 V CA -0.584 61.821 62.300 0.175 0.000 0.905 1059 V CB 2.123 34.050 31.823 0.173 0.000 1.010 1059 V HN 0.435 nan 8.190 nan 0.000 0.424 1060 D N 2.672 123.162 120.400 0.151 0.000 2.256 1060 D HA 0.244 4.885 4.640 0.002 0.000 0.250 1060 D C 0.602 176.994 176.300 0.154 0.000 1.093 1060 D CA -0.197 53.898 54.000 0.159 0.000 0.882 1060 D CB 1.881 42.742 40.800 0.101 0.000 1.185 1060 D HN 0.562 nan 8.370 nan 0.000 0.437 1061 D N 1.287 121.813 120.400 0.210 0.000 2.149 1061 D HA -0.245 4.396 4.640 0.002 0.000 0.194 1061 D C 1.868 178.235 176.300 0.113 0.000 1.001 1061 D CA 1.560 55.684 54.000 0.206 0.000 0.849 1061 D CB -0.010 40.921 40.800 0.218 0.000 0.939 1061 D HN 0.560 nan 8.370 nan 0.000 0.449 1062 K N 0.338 120.790 120.400 0.086 0.000 2.209 1062 K HA -0.141 4.180 4.320 0.002 0.000 0.204 1062 K C 0.781 177.394 176.600 0.023 0.000 1.048 1062 K CA 1.496 57.816 56.287 0.054 0.000 0.940 1062 K CB 0.075 32.603 32.500 0.048 0.000 0.729 1062 K HN 0.060 nan 8.250 nan 0.000 0.451 1063 D N 0.859 121.262 120.400 0.004 0.000 2.301 1063 D HA -0.029 4.612 4.640 0.002 0.000 0.206 1063 D C 2.042 178.261 176.300 -0.136 0.000 0.979 1063 D CA 0.376 54.342 54.000 -0.056 0.000 0.874 1063 D CB -0.022 40.740 40.800 -0.063 0.000 0.968 1063 D HN 0.023 nan 8.370 nan 0.000 0.510 1064 V N 1.648 121.495 119.914 -0.112 0.000 2.250 1064 V HA -0.349 3.773 4.120 0.002 0.000 0.253 1064 V C 2.547 178.543 176.094 -0.164 0.000 1.065 1064 V CA 2.083 64.275 62.300 -0.181 0.000 1.039 1064 V CB -0.381 31.432 31.823 -0.016 0.000 0.647 1064 V HN 0.162 nan 8.190 nan 0.000 0.446 1065 K N -0.689 119.680 120.400 -0.051 0.000 2.063 1065 K HA -0.180 4.141 4.320 0.002 0.000 0.208 1065 K C 2.149 178.727 176.600 -0.037 0.000 1.048 1065 K CA 1.522 57.803 56.287 -0.010 0.000 0.928 1065 K CB -0.349 32.168 32.500 0.029 0.000 0.713 1065 K HN 0.493 nan 8.250 nan 0.000 0.442 1066 A N 1.366 124.145 122.820 -0.069 0.000 1.845 1066 A HA -0.187 4.134 4.320 0.002 0.000 0.215 1066 A C 1.924 179.451 177.584 -0.096 0.000 1.195 1066 A CA 1.647 53.647 52.037 -0.062 0.000 0.616 1066 A CB -0.476 18.488 19.000 -0.059 0.000 0.832 1066 A HN 0.237 nan 8.150 nan 0.000 0.443 1067 K N -1.373 118.886 120.400 -0.235 0.000 1.971 1067 K HA -0.187 4.135 4.320 0.002 0.000 0.221 1067 K C 1.888 178.432 176.600 -0.093 0.000 1.050 1067 K CA 2.212 58.312 56.287 -0.313 0.000 0.967 1067 K CB -0.471 31.498 32.500 -0.885 0.000 0.733 1067 K HN 0.619 nan 8.250 nan 0.000 0.445 1068 Y N 0.559 120.855 120.300 -0.008 0.000 2.490 1068 Y HA 0.043 4.594 4.550 0.002 0.000 0.285 1068 Y C 2.132 178.051 175.900 0.031 0.000 1.117 1068 Y CA 0.133 58.223 58.100 -0.016 0.000 1.262 1068 Y CB -0.595 37.801 38.460 -0.106 0.000 1.043 1068 Y HN 0.281 nan 8.280 nan 0.000 0.553 1069 E N 1.525 121.804 120.200 0.131 0.000 2.070 1069 E HA -0.320 4.032 4.350 0.002 0.000 0.197 1069 E C 2.193 178.863 176.600 0.117 0.000 1.004 1069 E CA 1.858 58.310 56.400 0.087 0.000 0.805 1069 E CB 0.005 29.742 29.700 0.062 0.000 0.744 1069 E HN 0.427 nan 8.360 nan 0.000 0.451 1070 K N -0.224 120.252 120.400 0.127 0.000 2.020 1070 K HA -0.277 4.044 4.320 0.002 0.000 0.212 1070 K C 2.131 178.825 176.600 0.156 0.000 1.050 1070 K CA 1.919 58.278 56.287 0.119 0.000 0.929 1070 K CB -0.622 31.940 32.500 0.104 0.000 0.714 1070 K HN 0.319 nan 8.250 nan 0.000 0.443 1071 Y N 1.197 121.550 120.300 0.089 0.000 2.049 1071 Y HA -0.248 4.303 4.550 0.002 0.000 0.277 1071 Y C 1.984 177.944 175.900 0.099 0.000 1.143 1071 Y CA 2.190 60.365 58.100 0.126 0.000 1.115 1071 Y CB -0.144 38.390 38.460 0.122 0.000 0.975 1071 Y HN 0.037 nan 8.280 nan 0.000 0.487 1072 I N 0.390 121.226 120.570 0.443 0.000 2.143 1072 I HA -0.416 3.755 4.170 0.002 0.000 0.245 1072 I C 2.313 178.504 176.117 0.123 0.000 1.068 1072 I CA 1.921 63.364 61.300 0.239 0.000 1.326 1072 I CB -0.861 37.136 38.000 -0.004 0.000 1.028 1072 I HN 0.386 nan 8.210 nan 0.000 0.412 1073 L N 0.149 121.429 121.223 0.095 0.000 2.093 1073 L HA -0.184 4.157 4.340 0.002 0.000 0.208 1073 L C 2.609 179.501 176.870 0.036 0.000 1.085 1073 L CA 1.327 56.247 54.840 0.133 0.000 0.755 1073 L CB -0.628 41.538 42.059 0.178 0.000 0.904 1073 L HN 0.307 nan 8.230 nan 0.000 0.435 1074 E N -0.615 119.566 120.200 -0.032 0.000 2.274 1074 E HA -0.171 4.180 4.350 0.002 0.000 0.194 1074 E C 1.006 177.361 176.600 -0.409 0.000 0.996 1074 E CA 0.696 56.969 56.400 -0.211 0.000 0.840 1074 E CB 0.248 29.782 29.700 -0.275 0.000 0.772 1074 E HN 0.579 nan 8.360 nan 0.000 0.491 1075 H N -0.288 118.698 119.070 -0.140 0.000 2.512 1075 H HA 0.225 4.782 4.556 0.002 0.000 0.276 1075 H C -0.294 174.972 175.328 -0.103 0.000 1.126 1075 H CA 0.260 56.231 56.048 -0.128 0.000 1.060 1075 H CB 0.651 30.341 29.762 -0.121 0.000 1.646 1075 H HN 0.052 nan 8.280 nan 0.000 0.571 1076 S N -1.419 114.198 115.700 -0.138 0.000 2.651 1076 S HA 0.744 5.215 4.470 0.002 0.000 0.279 1076 S C 0.451 174.579 174.600 -0.787 0.000 1.148 1076 S CA -0.288 57.681 58.200 -0.384 0.000 0.837 1076 S CB 3.225 66.213 63.200 -0.353 0.000 1.138 1076 S HN 0.472 nan 8.310 nan 0.000 0.478 1077 G N 0.391 108.478 108.800 -1.189 0.000 2.512 1077 G HA2 -0.054 3.907 3.960 0.002 0.000 0.210 1077 G HA3 -0.054 3.907 3.960 0.002 0.000 0.210 1077 G C -0.955 173.680 174.900 -0.441 0.000 1.295 1077 G CA -0.470 43.891 45.100 -1.232 0.000 0.934 1077 G HN 1.132 nan 8.290 nan 0.000 0.554 1078 I N 2.562 123.037 120.570 -0.157 0.000 2.337 1078 I HA 0.471 4.642 4.170 0.002 0.000 0.291 1078 I C 1.069 177.147 176.117 -0.065 0.000 1.046 1078 I CA -0.308 60.950 61.300 -0.070 0.000 1.324 1078 I CB 0.638 38.648 38.000 0.017 0.000 1.409 1078 I HN 0.717 nan 8.210 nan 0.000 0.494 1079 R N 5.284 125.741 120.500 -0.073 0.000 2.947 1079 R HA 0.666 5.008 4.340 0.002 0.000 0.253 1079 R C -1.111 175.183 176.300 -0.009 0.000 1.208 1079 R CA -1.170 54.903 56.100 -0.045 0.000 1.012 1079 R CB 1.037 31.289 30.300 -0.080 0.000 1.267 1079 R HN 0.281 nan 8.270 nan 0.000 0.473 1080 L N 1.786 123.020 121.223 0.019 0.000 2.453 1080 L HA 0.189 4.530 4.340 0.002 0.000 0.272 1080 L C 0.454 177.350 176.870 0.044 0.000 1.182 1080 L CA -0.183 54.682 54.840 0.041 0.000 0.858 1080 L CB 0.325 42.403 42.059 0.032 0.000 1.120 1080 L HN 0.400 nan 8.230 nan 0.000 0.474 1081 I N 3.580 124.182 120.570 0.054 0.000 2.741 1081 I HA -0.063 4.109 4.170 0.002 0.000 0.288 1081 I C 0.433 176.657 176.117 0.178 0.000 1.192 1081 I CA 0.426 61.800 61.300 0.123 0.000 1.426 1081 I CB 0.005 38.079 38.000 0.125 0.000 1.367 1081 I HN 0.609 nan 8.210 nan 0.000 0.563 1082 E N 8.630 128.999 120.200 0.281 0.000 2.115 1082 E HA 0.191 4.542 4.350 0.002 0.000 0.282 1082 E C -1.790 175.017 176.600 0.346 0.000 0.987 1082 E CA -1.678 54.864 56.400 0.238 0.000 0.797 1082 E CB 1.278 31.088 29.700 0.184 0.000 1.086 1082 E HN 0.398 nan 8.360 nan 0.000 0.397 1083 P HA -0.163 nan 4.420 nan 0.000 0.219 1083 P C 0.613 178.063 177.300 0.250 0.000 1.150 1083 P CA 1.025 64.297 63.100 0.287 0.000 0.814 1083 P CB 0.292 32.083 31.700 0.152 0.000 0.787 1084 E N 0.167 120.456 120.200 0.148 0.000 2.130 1084 E HA -0.165 4.186 4.350 0.002 0.000 0.196 1084 E C 1.683 178.307 176.600 0.041 0.000 0.998 1084 E CA 0.951 57.399 56.400 0.080 0.000 0.806 1084 E CB -0.837 28.889 29.700 0.043 0.000 0.738 1084 E HN 0.309 nan 8.360 nan 0.000 0.459 1085 L N -0.435 120.788 121.223 -0.000 0.000 2.610 1085 L HA 0.029 4.370 4.340 0.002 0.000 0.232 1085 L C 0.651 177.180 176.870 -0.568 0.000 1.149 1085 L CA 0.367 55.035 54.840 -0.286 0.000 0.872 1085 L CB 0.130 41.944 42.059 -0.408 0.000 0.992 1085 L HN 0.072 nan 8.230 nan 0.000 0.447 1086 F N -0.921 119.138 119.950 0.181 0.000 2.777 1086 F HA 0.346 4.874 4.527 0.002 0.000 0.361 1086 F C 1.384 177.275 175.800 0.150 0.000 1.254 1086 F CA -0.429 57.687 58.000 0.194 0.000 1.181 1086 F CB 0.556 39.735 39.000 0.298 0.000 1.082 1086 F HN -0.024 nan 8.300 nan 0.000 0.510 1087 G N 0.663 109.582 108.800 0.199 0.000 2.321 1087 G HA2 -0.037 3.924 3.960 0.002 0.000 0.287 1087 G HA3 -0.037 3.924 3.960 0.002 0.000 0.287 1087 G C 1.222 176.220 174.900 0.163 0.000 1.018 1087 G CA 0.562 45.747 45.100 0.143 0.000 0.855 1087 G HN 1.365 nan 8.290 nan 0.000 0.507 1088 G N -2.252 106.669 108.800 0.203 0.000 2.201 1088 G HA2 -0.086 3.875 3.960 0.002 0.000 0.212 1088 G HA3 -0.086 3.875 3.960 0.002 0.000 0.212 1088 G C 0.440 175.468 174.900 0.214 0.000 0.994 1088 G CA 0.332 45.534 45.100 0.169 0.000 0.644 1088 G HN 1.874 nan 8.290 nan 0.000 0.508 1089 Y N 2.367 122.761 120.300 0.157 0.000 2.811 1089 Y HA 0.424 4.975 4.550 0.002 0.000 0.334 1089 Y C -0.108 175.866 175.900 0.124 0.000 1.247 1089 Y CA 0.380 58.551 58.100 0.118 0.000 1.526 1089 Y CB 0.776 39.296 38.460 0.100 0.000 1.284 1089 Y HN 0.166 nan 8.280 nan 0.000 0.586 1090 D N 7.908 128.043 120.400 -0.441 0.000 2.478 1090 D HA 0.261 4.902 4.640 0.002 0.000 0.240 1090 D C -2.465 173.498 176.300 -0.561 0.000 1.364 1090 D CA -2.000 51.750 54.000 -0.417 0.000 0.987 1090 D CB 2.030 42.746 40.800 -0.141 0.000 1.328 1090 D HN 0.231 nan 8.370 nan 0.000 0.584 1091 P HA -0.049 nan 4.420 nan 0.000 0.223 1091 P C 0.863 178.154 177.300 -0.015 0.000 1.144 1091 P CA 0.648 63.612 63.100 -0.226 0.000 0.783 1091 P CB 0.338 32.025 31.700 -0.021 0.000 0.771 1092 N N -0.171 118.476 118.700 -0.088 0.000 2.463 1092 N HA -0.025 4.716 4.740 0.002 0.000 0.181 1092 N C 0.627 176.127 175.510 -0.018 0.000 1.078 1092 N CA 0.578 53.606 53.050 -0.036 0.000 0.902 1092 N CB 0.081 38.533 38.487 -0.058 0.000 0.970 1092 N HN 0.343 nan 8.380 nan 0.000 0.451 1093 R N -0.176 120.302 120.500 -0.037 0.000 2.684 1093 R HA 0.273 4.614 4.340 0.002 0.000 0.252 1093 R C -0.858 175.440 176.300 -0.003 0.000 1.628 1093 R CA -0.691 55.401 56.100 -0.012 0.000 1.622 1093 R CB -0.005 30.285 30.300 -0.017 0.000 1.418 1093 R HN -0.287 nan 8.270 nan 0.000 0.697 1094 K N 2.313 122.729 120.400 0.026 0.000 2.419 1094 K HA -0.066 4.255 4.320 0.002 0.000 0.282 1094 K C -0.320 176.270 176.600 -0.017 0.000 1.056 1094 K CA 0.298 56.602 56.287 0.028 0.000 1.035 1094 K CB 0.707 33.212 32.500 0.009 0.000 0.921 1094 K HN 0.526 nan 8.250 nan 0.000 0.472 1095 Q N 5.144 124.933 119.800 -0.018 0.000 2.279 1095 Q HA 0.313 4.655 4.340 0.002 0.000 0.256 1095 Q C -0.960 174.994 176.000 -0.077 0.000 0.937 1095 Q CA -0.419 55.364 55.803 -0.033 0.000 0.933 1095 Q CB 0.575 29.308 28.738 -0.009 0.000 1.189 1095 Q HN 0.594 nan 8.270 nan 0.000 0.417 1096 L N 3.778 124.963 121.223 -0.065 0.000 2.283 1096 L HA 0.597 4.939 4.340 0.002 0.000 0.259 1096 L C -0.720 176.129 176.870 -0.035 0.000 1.027 1096 L CA -1.305 53.491 54.840 -0.073 0.000 0.828 1096 L CB 1.824 43.835 42.059 -0.080 0.000 1.380 1096 L HN 0.657 nan 8.230 nan 0.000 0.425 1097 L N 1.105 122.313 121.223 -0.025 0.000 2.346 1097 L HA 0.523 4.865 4.340 0.002 0.000 0.274 1097 L C -0.617 176.253 176.870 0.001 0.000 1.007 1097 L CA -0.486 54.353 54.840 -0.002 0.000 0.818 1097 L CB 2.018 44.089 42.059 0.020 0.000 1.284 1097 L HN 0.563 nan 8.230 nan 0.000 0.424 1098 Q N 2.191 121.995 119.800 0.007 0.000 2.333 1098 Q HA 0.279 4.620 4.340 0.002 0.000 0.267 1098 Q C -1.000 175.012 176.000 0.019 0.000 1.012 1098 Q CA -0.668 55.141 55.803 0.010 0.000 0.824 1098 Q CB 1.898 30.640 28.738 0.006 0.000 1.290 1098 Q HN 0.520 nan 8.270 nan 0.000 0.449 1099 E N 2.313 122.527 120.200 0.024 0.000 2.351 1099 E HA 0.154 4.505 4.350 0.002 0.000 0.266 1099 E C -0.977 175.639 176.600 0.027 0.000 1.031 1099 E CA -0.014 56.406 56.400 0.032 0.000 0.911 1099 E CB 1.099 30.820 29.700 0.036 0.000 0.986 1099 E HN 0.288 nan 8.360 nan 0.000 0.446 1100 V N 4.176 124.107 119.914 0.028 0.000 2.487 1100 V HA 0.133 4.254 4.120 0.002 0.000 0.298 1100 V C -0.030 176.080 176.094 0.025 0.000 1.028 1100 V CA -0.884 61.429 62.300 0.021 0.000 0.860 1100 V CB 1.954 33.785 31.823 0.014 0.000 0.991 1100 V HN 0.391 nan 8.190 nan 0.000 0.427 1101 V N 6.679 126.607 119.914 0.022 0.000 2.356 1101 V HA 0.275 4.396 4.120 0.002 0.000 0.258 1101 V C 0.513 176.614 176.094 0.012 0.000 1.065 1101 V CA -0.256 62.057 62.300 0.023 0.000 0.935 1101 V CB 0.783 32.620 31.823 0.023 0.000 1.061 1101 V HN 0.788 nan 8.190 nan 0.000 0.484 1102 I N 1.953 122.527 120.570 0.005 0.000 2.815 1102 I HA 0.159 4.330 4.170 0.002 0.000 0.291 1102 I C 0.558 176.673 176.117 -0.003 0.000 1.209 1102 I CA 0.413 61.711 61.300 -0.003 0.000 1.431 1102 I CB 0.534 38.526 38.000 -0.014 0.000 1.351 1102 I HN 0.598 nan 8.210 nan 0.000 0.585 1103 E N 3.801 123.999 120.200 -0.003 0.000 2.603 1103 E HA 0.243 4.594 4.350 0.002 0.000 0.211 1103 E C -0.668 175.930 176.600 -0.004 0.000 0.995 1103 E CA -0.103 56.297 56.400 -0.001 0.000 0.990 1103 E CB 0.672 30.373 29.700 0.002 0.000 1.036 1103 E HN 0.671 nan 8.360 nan 0.000 0.475 1104 Q N 0.657 120.452 119.800 -0.007 0.000 2.340 1104 Q HA 0.152 4.493 4.340 0.002 0.000 0.276 1104 Q C -1.503 174.488 176.000 -0.014 0.000 1.048 1104 Q CA -0.886 54.912 55.803 -0.009 0.000 0.832 1104 Q CB 2.061 30.795 28.738 -0.007 0.000 1.373 1104 Q HN 0.038 nan 8.270 nan 0.000 0.409 1105 D N 1.601 121.992 120.400 -0.015 0.000 2.667 1105 D HA -0.051 4.591 4.640 0.002 0.000 0.226 1105 D C -0.610 175.678 176.300 -0.020 0.000 1.137 1105 D CA 0.978 54.965 54.000 -0.021 0.000 0.855 1105 D CB 0.511 41.301 40.800 -0.016 0.000 1.194 1105 D HN 0.272 nan 8.370 nan 0.000 0.492 1106 L N 1.507 122.714 121.223 -0.026 0.000 2.334 1106 L HA 0.297 4.638 4.340 0.002 0.000 0.272 1106 L C 0.345 177.213 176.870 -0.004 0.000 1.020 1106 L CA -0.933 53.899 54.840 -0.013 0.000 0.812 1106 L CB 1.541 43.592 42.059 -0.012 0.000 1.264 1106 L HN 0.239 nan 8.230 nan 0.000 0.439 1107 E N 3.063 123.273 120.200 0.017 0.000 2.398 1107 E HA 0.191 4.543 4.350 0.002 0.000 0.263 1107 E C -2.350 174.281 176.600 0.051 0.000 1.046 1107 E CA -1.166 55.249 56.400 0.025 0.000 0.908 1107 E CB 0.708 30.425 29.700 0.030 0.000 0.963 1107 E HN 0.198 nan 8.360 nan 0.000 0.431 1108 P HA 0.176 nan 4.420 nan 0.000 0.275 1108 P C -1.150 176.167 177.300 0.027 0.000 1.227 1108 P CA 0.024 63.083 63.100 -0.067 0.000 0.781 1108 P CB 0.313 31.981 31.700 -0.053 0.000 0.906 1109 F N -1.353 118.560 119.950 -0.060 0.000 2.613 1109 F HA 0.623 5.151 4.527 0.002 0.000 0.314 1109 F C -0.133 175.656 175.800 -0.017 0.000 1.075 1109 F CA -1.440 56.533 58.000 -0.045 0.000 0.945 1109 F CB 1.111 40.070 39.000 -0.069 0.000 1.310 1109 F HN 0.162 nan 8.300 nan 0.000 0.467 1110 E N 0.852 121.191 120.200 0.232 0.000 2.345 1110 E HA 0.692 5.044 4.350 0.002 0.000 0.259 1110 E C -0.788 175.961 176.600 0.248 0.000 1.117 1110 E CA -0.734 55.759 56.400 0.155 0.000 0.913 1110 E CB 1.444 31.221 29.700 0.129 0.000 1.057 1110 E HN 0.914 nan 8.360 nan 0.000 0.432 1111 A N 0.841 123.779 122.820 0.196 0.000 2.597 1111 A HA 0.410 4.732 4.320 0.002 0.000 0.292 1111 A C -0.641 177.057 177.584 0.190 0.000 1.057 1111 A CA -0.713 51.465 52.037 0.235 0.000 0.674 1111 A CB 1.074 20.239 19.000 0.275 0.000 1.278 1111 A HN 0.572 nan 8.150 nan 0.000 0.416 1112 S N 0.412 116.203 115.700 0.151 0.000 2.614 1112 S HA 0.295 4.766 4.470 0.002 0.000 0.265 1112 S C 1.075 175.711 174.600 0.060 0.000 1.303 1112 S CA 0.525 58.791 58.200 0.110 0.000 1.000 1112 S CB 1.051 64.290 63.200 0.065 0.000 0.935 1112 S HN 1.009 nan 8.310 nan 0.000 0.551 1113 K N 0.930 121.355 120.400 0.041 0.000 2.063 1113 K HA -0.172 4.150 4.320 0.002 0.000 0.208 1113 K C 1.986 178.430 176.600 -0.260 0.000 1.048 1113 K CA 1.807 57.966 56.287 -0.214 0.000 0.928 1113 K CB -0.301 32.170 32.500 -0.048 0.000 0.713 1113 K HN 0.782 nan 8.250 nan 0.000 0.442 1114 E N 0.512 120.643 120.200 -0.115 0.000 2.023 1114 E HA -0.262 4.089 4.350 0.002 0.000 0.196 1114 E C 2.280 178.811 176.600 -0.116 0.000 1.003 1114 E CA 1.729 58.063 56.400 -0.109 0.000 0.809 1114 E CB -0.121 29.538 29.700 -0.068 0.000 0.755 1114 E HN 0.442 nan 8.360 nan 0.000 0.449 1115 Q N 0.129 119.889 119.800 -0.068 0.000 2.077 1115 Q HA -0.228 4.113 4.340 0.002 0.000 0.206 1115 Q C 2.236 178.255 176.000 0.030 0.000 0.989 1115 Q CA 1.508 57.275 55.803 -0.061 0.000 0.853 1115 Q CB -0.297 28.491 28.738 0.082 0.000 0.907 1115 Q HN 0.256 nan 8.270 nan 0.000 0.418 1116 A N 1.597 124.458 122.820 0.068 0.000 1.859 1116 A HA -0.297 4.024 4.320 0.002 0.000 0.217 1116 A C 1.905 179.486 177.584 -0.006 0.000 1.198 1116 A CA 1.946 54.023 52.037 0.067 0.000 0.629 1116 A CB -0.697 18.177 19.000 -0.210 0.000 0.830 1116 A HN 0.413 nan 8.150 nan 0.000 0.446 1117 E N -0.311 119.797 120.200 -0.154 0.000 2.049 1117 E HA -0.268 4.083 4.350 0.002 0.000 0.198 1117 E C 1.990 178.543 176.600 -0.077 0.000 1.007 1117 E CA 1.579 57.902 56.400 -0.129 0.000 0.809 1117 E CB -0.396 29.212 29.700 -0.154 0.000 0.749 1117 E HN 0.780 nan 8.360 nan 0.000 0.450 1118 E N 0.335 120.460 120.200 -0.124 0.000 2.049 1118 E HA -0.204 4.147 4.350 0.002 0.000 0.198 1118 E C 1.965 178.486 176.600 -0.132 0.000 1.007 1118 E CA 1.357 57.648 56.400 -0.181 0.000 0.809 1118 E CB -0.333 29.185 29.700 -0.304 0.000 0.749 1118 E HN 0.238 nan 8.360 nan 0.000 0.450 1119 F N 0.971 120.919 119.950 -0.002 0.000 2.126 1119 F HA -0.230 4.298 4.527 0.002 0.000 0.299 1119 F C 2.518 178.370 175.800 0.087 0.000 1.096 1119 F CA 1.150 59.196 58.000 0.078 0.000 1.255 1119 F CB -0.067 38.987 39.000 0.090 0.000 0.997 1119 F HN -0.081 nan 8.300 nan 0.000 0.479 1120 K N 0.959 121.481 120.400 0.205 0.000 2.097 1120 K HA -0.159 4.162 4.320 0.002 0.000 0.205 1120 K C 2.051 178.681 176.600 0.051 0.000 1.050 1120 K CA 1.195 57.540 56.287 0.096 0.000 0.938 1120 K CB -0.317 32.187 32.500 0.007 0.000 0.718 1120 K HN 0.035 nan 8.250 nan 0.000 0.442 1121 R N 0.028 120.534 120.500 0.009 0.000 2.120 1121 R HA -0.164 4.178 4.340 0.002 0.000 0.234 1121 R C 1.820 178.093 176.300 -0.044 0.000 1.123 1121 R CA 1.899 57.982 56.100 -0.029 0.000 0.975 1121 R CB -0.112 30.154 30.300 -0.056 0.000 0.866 1121 R HN 0.280 nan 8.270 nan 0.000 0.446 1122 E N -0.961 119.197 120.200 -0.069 0.000 2.140 1122 E HA -0.098 4.253 4.350 0.002 0.000 0.191 1122 E C 1.409 177.872 176.600 -0.229 0.000 0.973 1122 E CA 1.240 57.528 56.400 -0.186 0.000 0.829 1122 E CB 0.135 29.655 29.700 -0.299 0.000 0.781 1122 E HN 0.457 nan 8.360 nan 0.000 0.466 1123 H N -1.056 118.040 119.070 0.044 0.000 2.476 1123 H HA 0.256 4.813 4.556 0.002 0.000 0.292 1123 H C 1.596 176.931 175.328 0.012 0.000 1.019 1123 H CA 0.823 56.891 56.048 0.034 0.000 1.330 1123 H CB 0.290 30.080 29.762 0.046 0.000 1.451 1123 H HN 0.303 nan 8.280 nan 0.000 0.535 1124 G N 2.433 111.305 108.800 0.121 0.000 3.024 1124 G HA2 -0.446 3.516 3.960 0.002 0.000 0.339 1124 G HA3 -0.446 3.516 3.960 0.002 0.000 0.339 1124 G C 1.084 176.007 174.900 0.038 0.000 1.200 1124 G CA 1.013 46.144 45.100 0.052 0.000 0.968 1124 G HN 0.396 nan 8.290 nan 0.000 0.593 1125 D N 0.888 121.310 120.400 0.037 0.000 2.182 1125 D HA -0.020 4.621 4.640 0.002 0.000 0.201 1125 D C 2.241 178.553 176.300 0.019 0.000 0.986 1125 D CA 1.534 55.548 54.000 0.024 0.000 0.847 1125 D CB -0.109 40.706 40.800 0.025 0.000 0.942 1125 D HN 0.376 nan 8.370 nan 0.000 0.467 1126 K N -0.450 119.974 120.400 0.041 0.000 2.387 1126 K HA 0.210 4.531 4.320 0.002 0.000 0.198 1126 K C -0.519 176.053 176.600 -0.046 0.000 1.022 1126 K CA -0.065 56.228 56.287 0.010 0.000 1.128 1126 K CB 1.041 33.563 32.500 0.037 0.000 0.853 1126 K HN -0.109 nan 8.250 nan 0.000 0.523 1127 V N 0.369 120.265 119.914 -0.030 0.000 2.971 1127 V HA 0.340 4.461 4.120 0.002 0.000 0.309 1127 V C -0.990 175.030 176.094 -0.122 0.000 1.130 1127 V CA -1.064 61.181 62.300 -0.091 0.000 0.964 1127 V CB 2.555 34.344 31.823 -0.057 0.000 1.029 1127 V HN 0.035 nan 8.190 nan 0.000 0.427 1128 E N 4.058 124.142 120.200 -0.193 0.000 2.199 1128 E HA 0.654 5.005 4.350 0.002 0.000 0.265 1128 E C -1.137 175.195 176.600 -0.447 0.000 0.882 1128 E CA -0.515 55.684 56.400 -0.335 0.000 0.759 1128 E CB 2.537 32.088 29.700 -0.248 0.000 1.148 1128 E HN 0.690 nan 8.360 nan 0.000 0.412 1129 I N -0.585 119.647 120.570 -0.563 0.000 2.509 1129 I HA 0.661 4.832 4.170 0.002 0.000 0.293 1129 I C -1.121 174.676 176.117 -0.533 0.000 1.020 1129 I CA -0.928 60.142 61.300 -0.383 0.000 1.088 1129 I CB 1.074 39.010 38.000 -0.107 0.000 1.267 1129 I HN 0.275 nan 8.210 nan 0.000 0.430 1130 F N 1.922 121.949 119.950 0.129 0.000 2.588 1130 F HA 0.454 4.982 4.527 0.002 0.000 0.310 1130 F C 0.333 175.955 175.800 -0.296 0.000 1.082 1130 F CA -0.760 57.239 58.000 -0.002 0.000 0.929 1130 F CB 1.733 40.700 39.000 -0.055 0.000 1.254 1130 F HN 0.534 nan 8.300 nan 0.000 0.455 1131 E N 1.702 121.682 120.200 -0.366 0.000 2.404 1131 E HA 0.233 4.584 4.350 0.002 0.000 0.261 1131 E C -0.645 175.753 176.600 -0.336 0.000 1.074 1131 E CA -0.002 55.924 56.400 -0.790 0.000 0.917 1131 E CB 0.863 30.248 29.700 -0.525 0.000 0.965 1131 E HN 0.434 nan 8.360 nan 0.000 0.433 1132 I N 5.303 125.693 120.570 -0.300 0.000 2.297 1132 I HA 0.075 4.246 4.170 0.002 0.000 0.291 1132 I C -1.637 174.406 176.117 -0.123 0.000 1.033 1132 I CA -1.951 59.264 61.300 -0.142 0.000 1.253 1132 I CB 1.104 39.055 38.000 -0.081 0.000 1.396 1132 I HN 0.314 nan 8.210 nan 0.000 0.476 1133 P HA -0.179 nan 4.420 nan 0.000 0.217 1133 P C 0.740 178.009 177.300 -0.052 0.000 1.148 1133 P CA 1.474 64.529 63.100 -0.075 0.000 0.828 1133 P CB 0.308 31.971 31.700 -0.061 0.000 0.783 1134 E N -0.994 119.180 120.200 -0.044 0.000 2.024 1134 E HA -0.063 4.289 4.350 0.002 0.000 0.190 1134 E C 1.841 178.430 176.600 -0.018 0.000 0.974 1134 E CA 1.623 58.007 56.400 -0.027 0.000 0.810 1134 E CB -1.081 28.605 29.700 -0.023 0.000 0.775 1134 E HN 0.250 nan 8.360 nan 0.000 0.453 1135 T N -2.303 112.241 114.554 -0.017 0.000 3.129 1135 T HA 0.268 4.619 4.350 0.002 0.000 0.251 1135 T C 1.608 176.313 174.700 0.008 0.000 1.117 1135 T CA 0.318 62.418 62.100 -0.000 0.000 1.034 1135 T CB 0.363 69.236 68.868 0.008 0.000 0.968 1135 T HN 0.406 nan 8.240 nan 0.000 0.526 1136 G N 0.817 109.610 108.800 -0.010 0.000 2.184 1136 G HA2 -0.265 3.697 3.960 0.002 0.000 0.264 1136 G HA3 -0.265 3.697 3.960 0.002 0.000 0.264 1136 G C 0.242 175.173 174.900 0.052 0.000 0.975 1136 G CA 0.281 45.387 45.100 0.009 0.000 0.642 1136 G HN 0.590 nan 8.290 nan 0.000 0.536 1137 Q N -0.977 118.846 119.800 0.039 0.000 2.370 1137 Q HA 0.695 5.036 4.340 0.002 0.000 0.186 1137 Q C 0.121 176.176 176.000 0.093 0.000 1.093 1137 Q CA 0.028 55.905 55.803 0.123 0.000 1.142 1137 Q CB 0.332 29.124 28.738 0.089 0.000 1.175 1137 Q HN 0.497 nan 8.270 nan 0.000 0.625 1138 Y N -1.424 118.893 120.300 0.028 0.000 2.705 1138 Y HA 0.422 4.973 4.550 0.001 0.000 0.332 1138 Y C -0.198 175.687 175.900 -0.025 0.000 1.157 1138 Y CA -0.757 57.351 58.100 0.013 0.000 1.091 1138 Y CB 2.253 40.717 38.460 0.005 0.000 1.301 1138 Y HN 0.546 nan 8.280 nan 0.000 0.488 1139 T N -0.839 113.780 114.554 0.108 0.000 2.881 1139 T HA 0.735 5.086 4.350 0.002 0.000 0.290 1139 T C -1.717 172.857 174.700 -0.211 0.000 1.000 1139 T CA -0.701 61.365 62.100 -0.058 0.000 0.978 1139 T CB 0.895 69.765 68.868 0.003 0.000 0.997 1139 T HN 0.361 nan 8.240 nan 0.000 0.443 1140 V N 3.540 123.121 119.914 -0.555 0.000 2.448 1140 V HA 0.682 4.803 4.120 0.002 0.000 0.295 1140 V C 0.083 175.763 176.094 -0.690 0.000 1.025 1140 V CA -0.933 60.917 62.300 -0.750 0.000 0.859 1140 V CB 1.525 32.589 31.823 -1.265 0.000 0.988 1140 V HN 0.999 nan 8.190 nan 0.000 0.431 1141 R N 3.978 124.243 120.500 -0.392 0.000 2.473 1141 R HA 0.597 4.938 4.340 0.002 0.000 0.303 1141 R C -1.714 174.465 176.300 -0.203 0.000 1.002 1141 R CA -0.791 55.165 56.100 -0.239 0.000 0.884 1141 R CB 1.250 31.476 30.300 -0.124 0.000 1.173 1141 R HN 0.630 nan 8.270 nan 0.000 0.464 1142 L N 4.853 125.968 121.223 -0.180 0.000 2.315 1142 L HA 0.384 4.725 4.340 0.002 0.000 0.283 1142 L C 0.883 177.684 176.870 -0.115 0.000 1.089 1142 L CA 0.127 54.856 54.840 -0.184 0.000 0.833 1142 L CB 0.488 42.418 42.059 -0.214 0.000 1.170 1142 L HN 0.381 nan 8.230 nan 0.000 0.442 1143 R N 1.927 122.370 120.500 -0.096 0.000 2.637 1143 R HA 0.210 4.551 4.340 0.002 0.000 0.269 1143 R C 0.276 176.549 176.300 -0.045 0.000 1.089 1143 R CA -0.945 55.123 56.100 -0.054 0.000 1.177 1143 R CB 0.603 30.882 30.300 -0.035 0.000 1.091 1143 R HN 0.513 nan 8.270 nan 0.000 0.540 1144 K N 0.326 120.711 120.400 -0.025 0.000 2.511 1144 K HA -0.105 4.216 4.320 0.002 0.000 0.280 1144 K C 0.615 177.210 176.600 -0.009 0.000 1.008 1144 K CA 1.305 57.583 56.287 -0.015 0.000 1.050 1144 K CB 0.072 32.568 32.500 -0.007 0.000 0.889 1144 K HN 0.776 nan 8.250 nan 0.000 0.484 1145 G N 2.066 110.864 108.800 -0.003 0.000 2.307 1145 G HA2 -0.239 3.722 3.960 0.002 0.000 0.210 1145 G HA3 -0.239 3.722 3.960 0.002 0.000 0.210 1145 G C 0.185 175.097 174.900 0.020 0.000 1.005 1145 G CA -0.056 45.051 45.100 0.011 0.000 0.634 1145 G HN 1.011 nan 8.290 nan 0.000 0.496 1146 A N 0.660 123.477 122.820 -0.006 0.000 2.555 1146 A HA 0.525 4.846 4.320 0.002 0.000 0.233 1146 A C 0.684 178.285 177.584 0.028 0.000 1.060 1146 A CA 1.717 53.742 52.037 -0.022 0.000 0.759 1146 A CB 0.062 18.964 19.000 -0.164 0.000 0.995 1146 A HN 1.080 nan 8.150 nan 0.000 0.506 1147 T N 2.744 117.365 114.554 0.113 0.000 2.779 1147 T HA 0.585 4.936 4.350 0.002 0.000 0.280 1147 T C -0.195 174.584 174.700 0.130 0.000 0.987 1147 T CA -0.260 61.910 62.100 0.117 0.000 0.966 1147 T CB 0.657 69.603 68.868 0.130 0.000 0.933 1147 T HN 0.465 nan 8.240 nan 0.000 0.442 1148 L N 2.717 123.984 121.223 0.073 0.000 2.303 1148 L HA 0.638 4.979 4.340 0.002 0.000 0.266 1148 L C -0.789 176.113 176.870 0.053 0.000 1.011 1148 L CA -1.303 53.573 54.840 0.061 0.000 0.818 1148 L CB 1.903 43.976 42.059 0.023 0.000 1.326 1148 L HN 0.410 nan 8.230 nan 0.000 0.435 1149 L N 3.059 124.309 121.223 0.045 0.000 2.319 1149 L HA 0.523 4.865 4.340 0.002 0.000 0.281 1149 L C -0.750 176.130 176.870 0.016 0.000 1.005 1149 L CA -0.371 54.490 54.840 0.035 0.000 0.828 1149 L CB 1.793 43.879 42.059 0.045 0.000 1.227 1149 L HN 0.426 nan 8.230 nan 0.000 0.415 1150 I N 4.843 125.420 120.570 0.012 0.000 2.377 1150 I HA 0.376 4.547 4.170 0.002 0.000 0.293 1150 I C -2.192 173.925 176.117 0.001 0.000 0.987 1150 I CA -2.125 59.177 61.300 0.002 0.000 1.185 1150 I CB 1.967 39.968 38.000 0.001 0.000 1.341 1150 I HN 0.270 nan 8.210 nan 0.000 0.455 1151 P HA 0.198 nan 4.420 nan 0.000 0.271 1151 P C -1.286 176.010 177.300 -0.006 0.000 1.218 1151 P CA -0.312 62.785 63.100 -0.005 0.000 0.780 1151 P CB 0.559 32.255 31.700 -0.007 0.000 0.901 1152 K N 0.628 121.023 120.400 -0.008 0.000 2.469 1152 K HA 0.925 5.246 4.320 0.002 0.000 0.268 1152 K C -1.578 175.018 176.600 -0.008 0.000 1.027 1152 K CA -1.287 54.996 56.287 -0.006 0.000 0.893 1152 K CB 1.890 34.388 32.500 -0.003 0.000 1.460 1152 K HN 0.293 nan 8.250 nan 0.000 0.449 1153 A N 1.234 124.053 122.820 -0.002 0.000 2.435 1153 A HA 0.722 5.043 4.320 0.002 0.000 0.304 1153 A C -1.281 176.312 177.584 0.015 0.000 1.064 1153 A CA -0.946 51.093 52.037 0.002 0.000 0.727 1153 A CB 1.243 20.244 19.000 0.002 0.000 1.284 1153 A HN 0.587 nan 8.150 nan 0.000 0.415 1154 L N 0.648 121.888 121.223 0.029 0.000 2.333 1154 L HA 0.471 4.813 4.340 0.002 0.000 0.269 1154 L C -0.139 176.784 176.870 0.089 0.000 1.010 1154 L CA -0.582 54.296 54.840 0.064 0.000 0.818 1154 L CB 2.193 44.307 42.059 0.092 0.000 1.306 1154 L HN 0.827 nan 8.230 nan 0.000 0.430 1155 Q N 1.736 121.596 119.800 0.101 0.000 2.421 1155 Q HA 0.293 4.635 4.340 0.002 0.000 0.242 1155 Q C -1.070 175.053 176.000 0.205 0.000 1.024 1155 Q CA -0.454 55.413 55.803 0.107 0.000 0.891 1155 Q CB 1.187 29.953 28.738 0.047 0.000 1.222 1155 Q HN 0.261 nan 8.270 nan 0.000 0.483 1156 F N 2.147 122.118 119.950 0.035 0.000 2.371 1156 F HA 0.145 4.673 4.527 0.002 0.000 0.329 1156 F C 0.820 176.635 175.800 0.024 0.000 1.107 1156 F CA -0.581 57.455 58.000 0.060 0.000 1.137 1156 F CB 1.121 40.206 39.000 0.142 0.000 1.214 1156 F HN 0.530 nan 8.300 nan 0.000 0.536 1157 D N 1.874 121.961 120.400 -0.522 0.000 2.149 1157 D HA -0.046 4.596 4.640 0.002 0.000 0.206 1157 D C 0.556 176.597 176.300 -0.432 0.000 0.967 1157 D CA 0.922 54.681 54.000 -0.400 0.000 0.848 1157 D CB -0.075 40.516 40.800 -0.349 0.000 0.998 1157 D HN 0.313 nan 8.370 nan 0.000 0.474 1158 R N 1.813 121.850 120.500 -0.771 0.000 2.488 1158 R HA 0.120 4.461 4.340 0.002 0.000 0.306 1158 R C 0.603 176.831 176.300 -0.120 0.000 1.271 1158 R CA 0.051 55.929 56.100 -0.371 0.000 1.022 1158 R CB -0.415 29.692 30.300 -0.321 0.000 1.054 1158 R HN 0.204 nan 8.270 nan 0.000 0.500 1159 L N 1.062 122.261 121.223 -0.040 0.000 2.554 1159 L HA 0.090 4.432 4.340 0.002 0.000 0.225 1159 L C 0.521 177.421 176.870 0.050 0.000 1.104 1159 L CA 0.326 55.178 54.840 0.020 0.000 0.866 1159 L CB 0.198 42.263 42.059 0.011 0.000 1.047 1159 L HN 0.115 nan 8.230 nan 0.000 0.468 1160 V N -0.935 119.002 119.914 0.039 0.000 2.513 1160 V HA 0.917 5.038 4.120 0.002 0.000 0.299 1160 V C -0.066 175.976 176.094 -0.086 0.000 1.035 1160 V CA -0.866 61.435 62.300 0.002 0.000 0.889 1160 V CB 1.175 33.002 31.823 0.007 0.000 0.988 1160 V HN 0.049 nan 8.190 nan 0.000 0.440 1161 A N 2.440 125.165 122.820 -0.158 0.000 2.589 1161 A HA 0.811 5.132 4.320 0.002 0.000 0.296 1161 A C -0.114 177.344 177.584 -0.211 0.000 1.062 1161 A CA -0.130 51.731 52.037 -0.294 0.000 0.686 1161 A CB 1.533 20.040 19.000 -0.822 0.000 1.282 1161 A HN 1.439 nan 8.150 nan 0.000 0.404 1162 G N 0.819 109.537 108.800 -0.137 0.000 2.365 1162 G HA2 0.511 4.472 3.960 0.002 0.000 0.293 1162 G HA3 0.511 4.472 3.960 0.002 0.000 0.293 1162 G C -0.370 174.494 174.900 -0.059 0.000 1.128 1162 G CA -0.083 44.977 45.100 -0.068 0.000 0.971 1162 G HN 0.723 nan 8.290 nan 0.000 0.422 1163 Q N 1.821 121.576 119.800 -0.076 0.000 2.375 1163 Q HA 0.414 4.755 4.340 0.002 0.000 0.271 1163 Q C -0.486 175.461 176.000 -0.088 0.000 1.074 1163 Q CA -1.130 54.667 55.803 -0.011 0.000 0.808 1163 Q CB 2.480 31.275 28.738 0.094 0.000 1.327 1163 Q HN 0.435 nan 8.270 nan 0.000 0.441 1164 I N 3.238 123.738 120.570 -0.117 0.000 2.996 1164 I HA -0.094 4.078 4.170 0.002 0.000 0.311 1164 I C -2.068 173.992 176.117 -0.095 0.000 1.219 1164 I CA -0.703 60.481 61.300 -0.194 0.000 1.452 1164 I CB -0.300 37.505 38.000 -0.325 0.000 1.319 1164 I HN 0.431 nan 8.210 nan 0.000 0.564 1165 P HA -0.054 nan 4.420 nan 0.000 0.264 1165 P C -0.527 176.813 177.300 0.066 0.000 1.179 1165 P CA 0.189 63.283 63.100 -0.010 0.000 0.763 1165 P CB 0.114 31.834 31.700 0.033 0.000 0.806 1166 T N 3.282 117.883 114.554 0.079 0.000 2.825 1166 T HA 0.351 4.702 4.350 0.002 0.000 0.270 1166 T C 1.284 175.999 174.700 0.026 0.000 0.919 1166 T CA 1.170 63.310 62.100 0.067 0.000 1.159 1166 T CB -0.901 68.012 68.868 0.074 0.000 0.889 1166 T HN 0.750 nan 8.240 nan 0.000 0.565 1167 G N 3.006 111.823 108.800 0.027 0.000 2.672 1167 G HA2 -0.151 3.810 3.960 0.002 0.000 0.197 1167 G HA3 -0.151 3.810 3.960 0.002 0.000 0.197 1167 G C 0.002 174.884 174.900 -0.029 0.000 0.995 1167 G CA -0.959 44.109 45.100 -0.053 0.000 0.754 1167 G HN 0.647 nan 8.290 nan 0.000 0.505 1168 W N 2.438 123.684 121.300 -0.090 0.000 2.295 1168 W HA 0.500 5.162 4.660 0.002 0.000 0.335 1168 W C -0.397 176.098 176.519 -0.041 0.000 1.351 1168 W CA 1.245 58.558 57.345 -0.054 0.000 1.273 1168 W CB 0.727 30.213 29.460 0.043 0.000 1.214 1168 W HN 0.110 nan 8.180 nan 0.000 0.563 1169 D N 3.544 123.474 120.400 -0.782 0.000 2.990 1169 D HA 0.340 4.981 4.640 0.002 0.000 0.227 1169 D C 0.614 176.326 176.300 -0.980 0.000 1.249 1169 D CA -0.005 53.577 54.000 -0.698 0.000 0.891 1169 D CB 1.868 42.428 40.800 -0.399 0.000 1.647 1169 D HN 0.404 nan 8.370 nan 0.000 0.530 1170 A N 3.562 125.909 122.820 -0.788 0.000 2.076 1170 A HA -0.173 4.148 4.320 0.002 0.000 0.220 1170 A C 1.928 179.323 177.584 -0.315 0.000 1.160 1170 A CA 1.270 53.026 52.037 -0.468 0.000 0.653 1170 A CB -0.260 18.592 19.000 -0.248 0.000 0.801 1170 A HN 0.634 nan 8.150 nan 0.000 0.455 1171 R N -0.894 119.405 120.500 -0.335 0.000 2.115 1171 R HA -0.060 4.282 4.340 0.002 0.000 0.230 1171 R C 2.405 178.547 176.300 -0.262 0.000 1.111 1171 R CA 1.319 57.266 56.100 -0.255 0.000 0.976 1171 R CB -0.198 29.964 30.300 -0.230 0.000 0.870 1171 R HN 0.526 nan 8.270 nan 0.000 0.445 1172 R N -0.670 119.574 120.500 -0.426 0.000 2.073 1172 R HA -0.137 4.204 4.340 0.002 0.000 0.234 1172 R C 1.849 177.979 176.300 -0.283 0.000 1.134 1172 R CA 1.580 57.366 56.100 -0.523 0.000 0.952 1172 R CB -0.299 29.385 30.300 -1.028 0.000 0.850 1172 R HN 0.318 nan 8.270 nan 0.000 0.433 1173 Y N -0.645 119.587 120.300 -0.114 0.000 2.483 1173 Y HA -0.080 4.471 4.550 0.002 0.000 0.291 1173 Y C 1.691 177.645 175.900 0.090 0.000 1.143 1173 Y CA 0.896 59.055 58.100 0.099 0.000 1.289 1173 Y CB 0.251 38.777 38.460 0.109 0.000 0.983 1173 Y HN 0.402 nan 8.280 nan 0.000 0.556 1174 G N -0.795 108.069 108.800 0.107 0.000 2.175 1174 G HA2 -0.233 3.728 3.960 0.002 0.000 0.182 1174 G HA3 -0.233 3.728 3.960 0.002 0.000 0.182 1174 G C -0.153 174.773 174.900 0.043 0.000 1.003 1174 G CA -0.161 45.000 45.100 0.101 0.000 0.666 1174 G HN 0.064 nan 8.290 nan 0.000 0.506 1175 V N 2.034 121.842 119.914 -0.176 0.000 2.694 1175 V HA 0.276 4.397 4.120 0.002 0.000 0.306 1175 V C -1.170 174.807 176.094 -0.196 0.000 1.054 1175 V CA -0.485 61.560 62.300 -0.425 0.000 1.161 1175 V CB 0.698 32.172 31.823 -0.580 0.000 0.916 1175 V HN 0.192 nan 8.190 nan 0.000 0.490 1176 P HA 0.083 nan 4.420 nan 0.000 0.268 1176 P C 0.656 177.894 177.300 -0.103 0.000 1.205 1176 P CA -0.058 63.004 63.100 -0.063 0.000 0.771 1176 P CB 0.718 32.410 31.700 -0.014 0.000 0.858 1177 E N 3.403 123.557 120.200 -0.077 0.000 2.033 1177 E HA -0.275 4.077 4.350 0.002 0.000 0.199 1177 E C 1.279 177.825 176.600 -0.090 0.000 1.011 1177 E CA 2.230 58.579 56.400 -0.085 0.000 0.815 1177 E CB -0.699 28.965 29.700 -0.060 0.000 0.755 1177 E HN 0.534 nan 8.360 nan 0.000 0.451 1178 D N 0.571 120.930 120.400 -0.068 0.000 2.116 1178 D HA -0.229 4.412 4.640 0.002 0.000 0.193 1178 D C 2.056 178.287 176.300 -0.117 0.000 0.998 1178 D CA 1.331 55.291 54.000 -0.066 0.000 0.836 1178 D CB -0.533 40.248 40.800 -0.030 0.000 0.951 1178 D HN 0.286 nan 8.370 nan 0.000 0.449 1179 I N 1.035 121.512 120.570 -0.156 0.000 2.361 1179 I HA -0.196 3.975 4.170 0.002 0.000 0.251 1179 I C 2.580 178.516 176.117 -0.301 0.000 1.133 1179 I CA 0.577 61.706 61.300 -0.284 0.000 1.413 1179 I CB -0.505 37.316 38.000 -0.298 0.000 1.073 1179 I HN 0.059 nan 8.210 nan 0.000 0.424 1180 I N 0.576 121.010 120.570 -0.225 0.000 2.208 1180 I HA -0.267 3.905 4.170 0.002 0.000 0.245 1180 I C 2.448 178.462 176.117 -0.171 0.000 1.097 1180 I CA 1.456 62.633 61.300 -0.204 0.000 1.363 1180 I CB -1.036 36.864 38.000 -0.167 0.000 1.051 1180 I HN 0.371 nan 8.210 nan 0.000 0.413 1181 Q N -0.033 119.684 119.800 -0.139 0.000 2.311 1181 Q HA -0.176 4.165 4.340 0.002 0.000 0.203 1181 Q C 2.039 177.982 176.000 -0.095 0.000 0.954 1181 Q CA 0.819 56.562 55.803 -0.099 0.000 0.885 1181 Q CB -0.028 28.668 28.738 -0.071 0.000 0.963 1181 Q HN 0.550 nan 8.270 nan 0.000 0.471 1182 Q N 0.264 119.982 119.800 -0.136 0.000 2.376 1182 Q HA 0.043 4.384 4.340 0.002 0.000 0.206 1182 Q C 0.163 176.088 176.000 -0.126 0.000 0.921 1182 Q CA 0.354 56.094 55.803 -0.106 0.000 0.911 1182 Q CB 0.746 29.421 28.738 -0.106 0.000 1.032 1182 Q HN 0.019 nan 8.270 nan 0.000 0.510 1183 V N 0.582 120.357 119.914 -0.232 0.000 3.019 1183 V HA 0.310 4.431 4.120 0.002 0.000 0.317 1183 V C -0.171 175.830 176.094 -0.156 0.000 1.094 1183 V CA -1.198 60.961 62.300 -0.235 0.000 1.000 1183 V CB 1.561 33.072 31.823 -0.522 0.000 1.060 1183 V HN 0.119 nan 8.190 nan 0.000 0.443 1184 D N 1.975 122.316 120.400 -0.099 0.000 2.424 1184 D HA 0.136 4.778 4.640 0.002 0.000 0.244 1184 D C -1.639 174.553 176.300 -0.180 0.000 1.134 1184 D CA -1.312 52.635 54.000 -0.088 0.000 0.881 1184 D CB 2.043 42.828 40.800 -0.025 0.000 1.191 1184 D HN 0.196 nan 8.370 nan 0.000 0.445 1185 P HA -0.207 nan 4.420 nan 0.000 0.217 1185 P C 1.707 178.617 177.300 -0.650 0.000 1.158 1185 P CA 0.676 63.546 63.100 -0.384 0.000 0.887 1185 P CB 0.210 31.743 31.700 -0.279 0.000 0.792 1186 V N -0.602 119.076 119.914 -0.393 0.000 2.278 1186 V HA -0.334 3.787 4.120 0.002 0.000 0.251 1186 V C 2.333 178.211 176.094 -0.360 0.000 1.062 1186 V CA 2.752 64.890 62.300 -0.271 0.000 1.038 1186 V CB -1.607 30.180 31.823 -0.060 0.000 0.646 1186 V HN 0.234 nan 8.190 nan 0.000 0.447 1187 T N -0.099 114.268 114.554 -0.312 0.000 2.759 1187 T HA -0.155 4.196 4.350 0.002 0.000 0.269 1187 T C 1.799 176.379 174.700 -0.199 0.000 1.042 1187 T CA 1.532 63.482 62.100 -0.250 0.000 1.140 1187 T CB -0.243 68.510 68.868 -0.191 0.000 0.864 1187 T HN 0.319 nan 8.240 nan 0.000 0.455 1188 L N -0.350 120.723 121.223 -0.250 0.000 2.017 1188 L HA -0.123 4.218 4.340 0.002 0.000 0.208 1188 L C 2.347 179.278 176.870 0.102 0.000 1.073 1188 L CA 1.778 56.539 54.840 -0.132 0.000 0.745 1188 L CB -0.717 41.252 42.059 -0.150 0.000 0.894 1188 L HN 0.444 nan 8.230 nan 0.000 0.432 1189 Y N -1.161 119.199 120.300 0.100 0.000 2.224 1189 Y HA -0.226 4.326 4.550 0.002 0.000 0.289 1189 Y C 2.598 178.537 175.900 0.064 0.000 1.146 1189 Y CA 0.459 58.590 58.100 0.052 0.000 1.182 1189 Y CB -0.371 38.066 38.460 -0.038 0.000 0.983 1189 Y HN -0.067 nan 8.280 nan 0.000 0.524 1190 V N 0.156 120.143 119.914 0.121 0.000 2.379 1190 V HA -0.247 3.874 4.120 0.002 0.000 0.245 1190 V C 2.215 178.404 176.094 0.159 0.000 1.044 1190 V CA 1.309 63.668 62.300 0.099 0.000 1.036 1190 V CB -0.505 31.273 31.823 -0.075 0.000 0.664 1190 V HN 0.393 nan 8.190 nan 0.000 0.453 1191 L N -0.614 120.693 121.223 0.141 0.000 1.994 1191 L HA -0.174 4.167 4.340 0.002 0.000 0.208 1191 L C 2.525 179.598 176.870 0.338 0.000 1.071 1191 L CA 1.423 56.415 54.840 0.253 0.000 0.745 1191 L CB -0.597 41.513 42.059 0.086 0.000 0.892 1191 L HN 0.176 nan 8.230 nan 0.000 0.431 1192 V N -0.707 119.338 119.914 0.218 0.000 2.255 1192 V HA -0.358 3.763 4.120 0.002 0.000 0.247 1192 V C 2.725 178.912 176.094 0.154 0.000 1.051 1192 V CA 2.074 64.479 62.300 0.175 0.000 1.018 1192 V CB -0.449 31.461 31.823 0.145 0.000 0.641 1192 V HN 0.554 nan 8.190 nan 0.000 0.445 1193 S N -0.330 115.476 115.700 0.177 0.000 2.378 1193 S HA -0.239 4.233 4.470 0.002 0.000 0.221 1193 S C 1.999 176.703 174.600 0.174 0.000 1.037 1193 S CA 2.373 60.671 58.200 0.164 0.000 1.069 1193 S CB -0.528 62.786 63.200 0.189 0.000 1.006 1193 S HN 0.280 nan 8.310 nan 0.000 0.423 1194 V N 2.210 122.242 119.914 0.196 0.000 2.546 1194 V HA -0.212 3.909 4.120 0.002 0.000 0.254 1194 V C 2.783 178.983 176.094 0.177 0.000 1.076 1194 V CA 1.935 64.346 62.300 0.185 0.000 1.087 1194 V CB -1.380 30.559 31.823 0.194 0.000 0.674 1194 V HN 0.676 nan 8.190 nan 0.000 0.470 1195 A N -1.086 121.858 122.820 0.207 0.000 1.929 1195 A HA -0.169 4.152 4.320 0.002 0.000 0.216 1195 A C 2.201 179.894 177.584 0.182 0.000 1.176 1195 A CA 1.483 53.622 52.037 0.170 0.000 0.628 1195 A CB -0.339 18.823 19.000 0.271 0.000 0.816 1195 A HN 0.576 nan 8.150 nan 0.000 0.444 1196 E N -0.566 119.744 120.200 0.184 0.000 2.285 1196 E HA 0.064 4.415 4.350 0.002 0.000 0.194 1196 E C 2.055 178.776 176.600 0.202 0.000 0.997 1196 E CA 0.542 57.069 56.400 0.211 0.000 0.845 1196 E CB -0.082 29.732 29.700 0.190 0.000 0.782 1196 E HN 0.599 nan 8.360 nan 0.000 0.491 1197 A N 0.662 123.580 122.820 0.163 0.000 2.016 1197 A HA -0.050 4.271 4.320 0.002 0.000 0.217 1197 A C 2.008 179.681 177.584 0.149 0.000 1.162 1197 A CA 0.528 52.645 52.037 0.134 0.000 0.662 1197 A CB -0.211 18.859 19.000 0.116 0.000 0.812 1197 A HN 0.155 nan 8.150 nan 0.000 0.450 1198 L N -0.994 120.329 121.223 0.166 0.000 2.156 1198 L HA -0.050 4.291 4.340 0.002 0.000 0.208 1198 L C 2.497 179.466 176.870 0.164 0.000 1.095 1198 L CA 0.877 55.816 54.840 0.167 0.000 0.770 1198 L CB -0.370 41.783 42.059 0.156 0.000 0.914 1198 L HN 0.473 nan 8.230 nan 0.000 0.439 1199 L N -0.069 121.280 121.223 0.210 0.000 2.072 1199 L HA -0.164 4.177 4.340 0.002 0.000 0.205 1199 L C 2.609 179.653 176.870 0.290 0.000 1.079 1199 L CA 1.351 56.336 54.840 0.242 0.000 0.752 1199 L CB -0.067 42.170 42.059 0.297 0.000 0.906 1199 L HN 0.312 nan 8.230 nan 0.000 0.436 1200 S N -2.533 113.371 115.700 0.339 0.000 2.641 1200 S HA -0.095 4.377 4.470 0.002 0.000 0.239 1200 S C 1.342 176.099 174.600 0.261 0.000 0.972 1200 S CA 0.824 59.267 58.200 0.406 0.000 0.954 1200 S CB -0.066 63.278 63.200 0.239 0.000 0.767 1200 S HN 0.376 nan 8.310 nan 0.000 0.539 1201 S N -0.711 115.088 115.700 0.164 0.000 3.009 1201 S HA 0.496 4.967 4.470 0.002 0.000 0.254 1201 S C 1.111 175.712 174.600 0.002 0.000 1.004 1201 S CA 0.315 58.545 58.200 0.049 0.000 1.119 1201 S CB -0.367 62.895 63.200 0.104 0.000 1.075 1201 S HN 1.176 nan 8.310 nan 0.000 0.618 1202 G N 1.792 110.653 108.800 0.101 0.000 2.189 1202 G HA2 -0.213 3.748 3.960 0.002 0.000 0.267 1202 G HA3 -0.213 3.748 3.960 0.002 0.000 0.267 1202 G C 0.045 174.951 174.900 0.011 0.000 0.975 1202 G CA 0.406 45.585 45.100 0.132 0.000 0.644 1202 G HN 0.532 nan 8.290 nan 0.000 0.537 1203 I N 1.944 122.494 120.570 -0.034 0.000 2.337 1203 I HA 0.241 4.412 4.170 0.002 0.000 0.291 1203 I C 1.478 177.547 176.117 -0.080 0.000 1.046 1203 I CA 0.464 61.681 61.300 -0.139 0.000 1.324 1203 I CB 0.622 38.491 38.000 -0.218 0.000 1.409 1203 I HN 0.021 nan 8.210 nan 0.000 0.494 1204 T N 3.444 117.898 114.554 -0.167 0.000 2.904 1204 T HA -0.031 4.320 4.350 0.002 0.000 0.243 1204 T C 0.549 175.092 174.700 -0.262 0.000 1.024 1204 T CA 0.740 62.662 62.100 -0.297 0.000 1.158 1204 T CB 0.090 68.630 68.868 -0.547 0.000 0.867 1204 T HN 0.544 nan 8.240 nan 0.000 0.429 1205 D N 1.430 121.685 120.400 -0.241 0.000 2.274 1205 D HA 0.246 4.888 4.640 0.002 0.000 0.239 1205 D C -2.046 174.165 176.300 -0.149 0.000 1.104 1205 D CA -2.538 51.345 54.000 -0.195 0.000 0.840 1205 D CB 1.891 42.601 40.800 -0.150 0.000 1.100 1205 D HN -0.014 nan 8.370 nan 0.000 0.477 1206 P HA -0.086 nan 4.420 nan 0.000 0.226 1206 P C 0.856 178.235 177.300 0.132 0.000 1.153 1206 P CA 0.570 63.691 63.100 0.036 0.000 0.777 1206 P CB 0.058 31.819 31.700 0.101 0.000 0.794 1207 Y N 0.541 120.864 120.300 0.039 0.000 2.483 1207 Y HA -0.148 4.403 4.550 0.002 0.000 0.291 1207 Y C 2.321 178.187 175.900 -0.056 0.000 1.143 1207 Y CA 0.174 58.339 58.100 0.109 0.000 1.289 1207 Y CB -1.249 37.276 38.460 0.108 0.000 0.983 1207 Y HN 0.178 nan 8.280 nan 0.000 0.556 1208 E N -0.205 119.993 120.200 -0.004 0.000 2.160 1208 E HA -0.232 4.120 4.350 0.002 0.000 0.195 1208 E C 1.710 178.244 176.600 -0.111 0.000 0.991 1208 E CA 1.101 57.437 56.400 -0.107 0.000 0.810 1208 E CB -0.446 29.146 29.700 -0.181 0.000 0.742 1208 E HN 0.460 nan 8.360 nan 0.000 0.466 1209 F N -0.556 119.311 119.950 -0.139 0.000 2.250 1209 F HA -0.201 4.327 4.527 0.002 0.000 0.301 1209 F C 1.097 176.779 175.800 -0.196 0.000 1.077 1209 F CA 0.688 58.570 58.000 -0.195 0.000 1.348 1209 F CB -0.028 38.698 39.000 -0.456 0.000 1.040 1209 F HN 0.143 nan 8.300 nan 0.000 0.509 1210 Y N -0.087 120.360 120.300 0.245 0.000 2.496 1210 Y HA 0.105 4.656 4.550 0.002 0.000 0.313 1210 Y C 1.477 177.369 175.900 -0.013 0.000 1.184 1210 Y CA -0.549 57.623 58.100 0.120 0.000 1.275 1210 Y CB -0.986 37.484 38.460 0.017 0.000 1.103 1210 Y HN 0.000 nan 8.280 nan 0.000 0.513 1211 K N -0.780 119.610 120.400 -0.017 0.000 2.063 1211 K HA -0.016 4.306 4.320 0.002 0.000 0.204 1211 K C 0.944 177.426 176.600 -0.196 0.000 1.039 1211 K CA 1.156 57.293 56.287 -0.249 0.000 0.957 1211 K CB -0.185 31.934 32.500 -0.636 0.000 0.764 1211 K HN 0.268 nan 8.250 nan 0.000 0.447 1212 Y N 0.118 120.484 120.300 0.111 0.000 2.519 1212 Y HA 0.099 4.650 4.550 0.002 0.000 0.287 1212 Y C 0.628 176.618 175.900 0.151 0.000 1.128 1212 Y CA -0.138 58.032 58.100 0.116 0.000 1.282 1212 Y CB 0.495 39.017 38.460 0.103 0.000 1.027 1212 Y HN -0.226 nan 8.280 nan 0.000 0.551 1213 V N -1.000 119.110 119.914 0.326 0.000 2.971 1213 V HA 0.195 4.316 4.120 0.002 0.000 0.309 1213 V C -1.024 175.300 176.094 0.383 0.000 1.130 1213 V CA -1.453 61.032 62.300 0.308 0.000 0.964 1213 V CB 2.095 34.080 31.823 0.271 0.000 1.029 1213 V HN 0.105 nan 8.190 nan 0.000 0.427 1214 H N 2.191 121.391 119.070 0.216 0.000 2.690 1214 H HA 0.337 4.894 4.556 0.002 0.000 0.365 1214 H C 0.970 176.423 175.328 0.209 0.000 1.142 1214 H CA 0.248 56.403 56.048 0.178 0.000 1.417 1214 H CB 0.872 30.665 29.762 0.052 0.000 1.446 1214 H HN 0.548 nan 8.280 nan 0.000 0.599 1215 L N 1.775 122.585 121.223 -0.688 0.000 2.263 1215 L HA -0.188 4.154 4.340 0.002 0.000 0.216 1215 L C 1.643 178.315 176.870 -0.329 0.000 1.111 1215 L CA 1.751 56.262 54.840 -0.549 0.000 0.773 1215 L CB -0.484 41.031 42.059 -0.908 0.000 0.906 1215 L HN 0.643 nan 8.230 nan 0.000 0.439 1216 S N -2.277 113.220 115.700 -0.339 0.000 2.622 1216 S HA 0.118 4.589 4.470 0.002 0.000 0.236 1216 S C 0.879 175.494 174.600 0.025 0.000 0.956 1216 S CA -0.312 57.837 58.200 -0.086 0.000 0.971 1216 S CB 0.188 63.403 63.200 0.024 0.000 0.782 1216 S HN 0.435 nan 8.310 nan 0.000 0.468 1217 E N 0.204 120.434 120.200 0.050 0.000 2.641 1217 E HA 0.187 4.538 4.350 0.002 0.000 0.224 1217 E C -0.896 175.699 176.600 -0.009 0.000 0.951 1217 E CA -0.029 56.396 56.400 0.043 0.000 1.102 1217 E CB 1.382 31.130 29.700 0.080 0.000 1.091 1217 E HN 0.340 nan 8.360 nan 0.000 0.507 1218 V N 1.893 121.803 119.914 -0.006 0.000 2.299 1218 V HA 0.371 4.493 4.120 0.002 0.000 0.255 1218 V C 0.635 176.697 176.094 -0.053 0.000 1.100 1218 V CA -0.509 61.725 62.300 -0.109 0.000 0.938 1218 V CB 0.474 32.225 31.823 -0.121 0.000 1.139 1218 V HN 0.129 nan 8.190 nan 0.000 0.490 1219 G N 3.022 111.788 108.800 -0.058 0.000 2.477 1219 G HA2 0.411 4.373 3.960 0.002 0.000 0.304 1219 G HA3 0.411 4.373 3.960 0.002 0.000 0.304 1219 G C -0.521 174.377 174.900 -0.004 0.000 1.175 1219 G CA -0.637 44.452 45.100 -0.017 0.000 0.907 1219 G HN 0.655 nan 8.290 nan 0.000 0.509 1220 N N -0.365 118.350 118.700 0.025 0.000 2.549 1220 N HA 0.276 5.017 4.740 0.002 0.000 0.281 1220 N C -0.904 174.643 175.510 0.062 0.000 1.084 1220 N CA -0.743 52.338 53.050 0.051 0.000 0.862 1220 N CB 1.202 39.730 38.487 0.069 0.000 1.333 1220 N HN 0.319 nan 8.380 nan 0.000 0.523 1221 C N 5.076 124.417 119.300 0.068 0.000 2.624 1221 C HA 0.409 4.870 4.460 0.002 0.000 0.263 1221 C C 0.410 175.450 174.990 0.084 0.000 1.587 1221 C CA -0.598 58.460 59.018 0.067 0.000 1.718 1221 C CB -1.870 25.902 27.740 0.052 0.000 3.050 1221 C HN 0.626 nan 8.230 nan 0.000 0.517 1222 I N 1.615 122.261 120.570 0.127 0.000 2.441 1222 I HA 0.504 4.675 4.170 0.002 0.000 0.287 1222 I C 0.991 177.188 176.117 0.133 0.000 1.049 1222 I CA 0.647 62.047 61.300 0.168 0.000 1.381 1222 I CB 0.806 38.976 38.000 0.284 0.000 1.409 1222 I HN 0.469 nan 8.210 nan 0.000 0.523 1223 G N 3.556 112.346 108.800 -0.016 0.000 3.140 1223 G HA2 0.808 4.770 3.960 0.002 0.000 0.271 1223 G HA3 0.808 4.770 3.960 0.002 0.000 0.271 1223 G C -1.036 173.505 174.900 -0.600 0.000 1.370 1223 G CA -0.308 44.689 45.100 -0.172 0.000 1.014 1223 G HN 0.700 nan 8.290 nan 0.000 0.541 1224 S N -3.091 112.311 115.700 -0.498 0.000 2.636 1224 S HA 0.583 5.055 4.470 0.002 0.000 0.266 1224 S C 0.813 175.271 174.600 -0.238 0.000 1.147 1224 S CA 0.519 58.369 58.200 -0.584 0.000 0.815 1224 S CB 0.955 63.511 63.200 -1.073 0.000 1.119 1224 S HN 1.552 nan 8.310 nan 0.000 0.470 1225 G N -0.169 108.538 108.800 -0.154 0.000 2.408 1225 G HA2 0.284 4.245 3.960 0.002 0.000 0.213 1225 G HA3 0.284 4.245 3.960 0.002 0.000 0.213 1225 G C 1.008 175.878 174.900 -0.051 0.000 1.177 1225 G CA 1.269 46.330 45.100 -0.066 0.000 0.802 1225 G HN 1.508 nan 8.290 nan 0.000 0.533 1226 V N -2.889 117.006 119.914 -0.031 0.000 3.177 1226 V HA 0.587 4.708 4.120 0.002 0.000 0.219 1226 V C 1.343 177.464 176.094 0.045 0.000 1.344 1226 V CA 0.304 62.592 62.300 -0.020 0.000 1.324 1226 V CB -0.932 30.860 31.823 -0.053 0.000 1.165 1226 V HN 1.154 nan 8.190 nan 0.000 0.510 1227 G N 0.717 109.591 108.800 0.123 0.000 3.106 1227 G HA2 0.337 4.298 3.960 0.002 0.000 0.352 1227 G HA3 0.337 4.298 3.960 0.002 0.000 0.352 1227 G C 1.001 176.043 174.900 0.236 0.000 0.563 1227 G CA 0.410 45.697 45.100 0.311 0.000 0.945 1227 G HN 2.293 nan 8.290 nan 0.000 0.470 1228 G N 1.147 110.057 108.800 0.183 0.000 2.138 1228 G HA2 -0.038 3.923 3.960 0.002 0.000 0.193 1228 G HA3 -0.038 3.923 3.960 0.002 0.000 0.193 1228 G C 1.222 176.152 174.900 0.050 0.000 0.998 1228 G CA 0.965 46.127 45.100 0.104 0.000 0.668 1228 G HN 1.883 nan 8.290 nan 0.000 0.516 1229 T N 0.127 114.712 114.554 0.053 0.000 2.869 1229 T HA -0.092 4.259 4.350 0.002 0.000 0.270 1229 T C 2.354 177.049 174.700 -0.009 0.000 1.082 1229 T CA 2.020 64.121 62.100 0.002 0.000 1.123 1229 T CB -0.063 68.813 68.868 0.013 0.000 0.856 1229 T HN 0.472 nan 8.240 nan 0.000 0.499 1230 S N 0.432 116.143 115.700 0.019 0.000 2.388 1230 S HA 0.190 4.662 4.470 0.002 0.000 0.223 1230 S C 2.417 177.027 174.600 0.016 0.000 1.034 1230 S CA 0.722 58.932 58.200 0.016 0.000 0.963 1230 S CB -0.387 62.828 63.200 0.026 0.000 0.827 1230 S HN 0.541 nan 8.310 nan 0.000 0.481 1231 A N 1.459 124.294 122.820 0.025 0.000 1.968 1231 A HA 0.141 4.462 4.320 0.002 0.000 0.217 1231 A C 2.106 179.716 177.584 0.043 0.000 1.169 1231 A CA 0.822 52.881 52.037 0.037 0.000 0.638 1231 A CB -0.737 18.294 19.000 0.052 0.000 0.812 1231 A HN 0.543 nan 8.150 nan 0.000 0.446 1232 L N -0.460 120.773 121.223 0.017 0.000 2.127 1232 L HA -0.216 4.125 4.340 0.002 0.000 0.211 1232 L C 2.804 179.698 176.870 0.039 0.000 1.089 1232 L CA 1.999 56.837 54.840 -0.003 0.000 0.757 1232 L CB -0.348 41.651 42.059 -0.100 0.000 0.899 1232 L HN 0.581 nan 8.230 nan 0.000 0.434 1233 R N -0.203 120.305 120.500 0.013 0.000 2.062 1233 R HA -0.096 4.245 4.340 0.002 0.000 0.226 1233 R C 2.085 178.426 176.300 0.067 0.000 1.125 1233 R CA 1.326 57.439 56.100 0.021 0.000 0.966 1233 R CB -0.589 29.699 30.300 -0.019 0.000 0.861 1233 R HN 0.337 nan 8.270 nan 0.000 0.433 1234 G N 1.143 109.975 108.800 0.054 0.000 2.479 1234 G HA2 -0.289 3.672 3.960 0.002 0.000 0.220 1234 G HA3 -0.289 3.672 3.960 0.002 0.000 0.220 1234 G C 1.378 176.314 174.900 0.060 0.000 1.115 1234 G CA 0.830 45.959 45.100 0.050 0.000 0.757 1234 G HN 0.379 nan 8.290 nan 0.000 0.560 1235 M N -1.356 118.304 119.600 0.099 0.000 2.191 1235 M HA 0.174 4.656 4.480 0.002 0.000 0.262 1235 M C 1.904 178.198 176.300 -0.010 0.000 1.083 1235 M CA 1.044 56.380 55.300 0.059 0.000 1.154 1235 M CB 0.284 32.968 32.600 0.141 0.000 1.344 1235 M HN 0.215 nan 8.290 nan 0.000 0.431 1236 Y N -0.224 120.053 120.300 -0.039 0.000 2.500 1236 Y HA 0.122 4.674 4.550 0.002 0.000 0.270 1236 Y C 2.177 178.047 175.900 -0.049 0.000 1.134 1236 Y CA 0.659 58.724 58.100 -0.059 0.000 1.293 1236 Y CB 0.117 38.524 38.460 -0.087 0.000 1.063 1236 Y HN 0.275 nan 8.280 nan 0.000 0.534 1237 K N -0.938 119.533 120.400 0.119 0.000 2.757 1237 K HA 0.038 4.359 4.320 0.002 0.000 0.201 1237 K C 0.901 177.566 176.600 0.109 0.000 1.495 1237 K CA 0.487 56.835 56.287 0.102 0.000 1.090 1237 K CB -0.025 32.506 32.500 0.051 0.000 1.796 1237 K HN -0.194 nan 8.250 nan 0.000 0.523 1238 D N 1.235 121.676 120.400 0.068 0.000 2.311 1238 D HA -0.130 4.512 4.640 0.002 0.000 0.212 1238 D C 1.767 178.091 176.300 0.039 0.000 0.972 1238 D CA 0.955 54.982 54.000 0.046 0.000 0.887 1238 D CB 0.168 40.986 40.800 0.031 0.000 0.915 1238 D HN 0.264 nan 8.370 nan 0.000 0.497 1239 R N -1.014 119.517 120.500 0.052 0.000 2.156 1239 R HA -0.057 4.285 4.340 0.002 0.000 0.207 1239 R C 2.037 178.363 176.300 0.044 0.000 1.040 1239 R CA 0.226 56.343 56.100 0.029 0.000 1.013 1239 R CB -0.332 29.975 30.300 0.011 0.000 0.931 1239 R HN 0.132 nan 8.270 nan 0.000 0.465 1240 Y N 0.062 120.334 120.300 -0.046 0.000 2.574 1240 Y HA 0.014 4.565 4.550 0.002 0.000 0.294 1240 Y C 1.033 176.912 175.900 -0.036 0.000 1.142 1240 Y CA 0.812 58.884 58.100 -0.048 0.000 1.314 1240 Y CB 0.292 38.725 38.460 -0.046 0.000 0.991 1240 Y HN 0.138 nan 8.280 nan 0.000 0.555 1241 L N 0.426 121.628 121.223 -0.034 0.000 2.607 1241 L HA 0.151 4.492 4.340 0.002 0.000 0.228 1241 L C 0.426 177.238 176.870 -0.096 0.000 1.123 1241 L CA 0.762 55.547 54.840 -0.091 0.000 0.890 1241 L CB -0.126 41.935 42.059 0.005 0.000 1.103 1241 L HN 0.150 nan 8.230 nan 0.000 0.468 1242 D N 0.087 120.435 120.400 -0.087 0.000 2.870 1242 D HA -0.230 4.412 4.640 0.002 0.000 0.228 1242 D C 0.290 176.565 176.300 -0.042 0.000 1.147 1242 D CA 0.728 54.684 54.000 -0.072 0.000 0.757 1242 D CB -0.503 40.238 40.800 -0.099 0.000 1.091 1242 D HN 0.299 nan 8.370 nan 0.000 0.429 1243 K N 0.079 120.465 120.400 -0.024 0.000 2.126 1243 K HA 0.412 4.734 4.320 0.002 0.000 0.257 1243 K C -2.297 174.298 176.600 -0.009 0.000 1.007 1243 K CA -1.417 54.863 56.287 -0.012 0.000 0.928 1243 K CB 0.424 32.923 32.500 -0.002 0.000 1.013 1243 K HN -0.005 nan 8.250 nan 0.000 0.473 1244 P HA 0.085 nan 4.420 nan 0.000 0.273 1244 P C -1.097 176.204 177.300 0.001 0.000 1.319 1244 P CA -0.118 62.979 63.100 -0.004 0.000 0.885 1244 P CB 0.445 32.143 31.700 -0.004 0.000 1.015 1245 V N 3.848 123.764 119.914 0.003 0.000 2.815 1245 V HA 0.270 4.391 4.120 0.002 0.000 0.314 1245 V C 0.585 176.686 176.094 0.012 0.000 1.064 1245 V CA -0.932 61.374 62.300 0.010 0.000 0.952 1245 V CB 1.831 33.662 31.823 0.013 0.000 1.020 1245 V HN 0.408 nan 8.190 nan 0.000 0.439 1246 Q N 1.337 121.148 119.800 0.019 0.000 2.614 1246 Q HA 0.147 4.488 4.340 0.002 0.000 0.244 1246 Q C 0.536 176.553 176.000 0.027 0.000 1.097 1246 Q CA -0.003 55.815 55.803 0.025 0.000 0.986 1246 Q CB 0.863 29.622 28.738 0.035 0.000 1.308 1246 Q HN 0.511 nan 8.270 nan 0.000 0.546 1247 K N 0.411 120.829 120.400 0.031 0.000 2.305 1247 K HA -0.086 4.236 4.320 0.002 0.000 0.199 1247 K C 0.149 176.776 176.600 0.045 0.000 1.047 1247 K CA 1.035 57.340 56.287 0.030 0.000 0.976 1247 K CB 0.322 32.838 32.500 0.026 0.000 0.765 1247 K HN 0.596 nan 8.250 nan 0.000 0.474 1248 D N 0.033 120.470 120.400 0.062 0.000 2.501 1248 D HA -0.021 4.620 4.640 0.002 0.000 0.226 1248 D C 1.046 177.410 176.300 0.106 0.000 1.198 1248 D CA -0.212 53.840 54.000 0.087 0.000 0.830 1248 D CB -0.312 40.548 40.800 0.100 0.000 1.014 1248 D HN 0.130 nan 8.370 nan 0.000 0.496 1249 I N -2.263 118.357 120.570 0.083 0.000 2.850 1249 I HA -0.096 4.075 4.170 0.002 0.000 0.266 1249 I C 1.777 177.953 176.117 0.098 0.000 1.257 1249 I CA 0.496 61.848 61.300 0.085 0.000 1.465 1249 I CB -0.592 37.443 38.000 0.059 0.000 1.091 1249 I HN 0.037 nan 8.210 nan 0.000 0.467 1250 L N 0.863 122.150 121.223 0.106 0.000 2.017 1250 L HA -0.185 4.156 4.340 0.002 0.000 0.208 1250 L C 2.559 179.587 176.870 0.262 0.000 1.073 1250 L CA 1.809 56.725 54.840 0.127 0.000 0.745 1250 L CB -1.053 41.094 42.059 0.146 0.000 0.894 1250 L HN 0.371 nan 8.230 nan 0.000 0.432 1251 Q N -0.420 119.550 119.800 0.283 0.000 2.118 1251 Q HA -0.237 4.104 4.340 0.002 0.000 0.211 1251 Q C 1.308 177.540 176.000 0.385 0.000 0.998 1251 Q CA 2.043 58.044 55.803 0.329 0.000 0.872 1251 Q CB -0.193 28.677 28.738 0.220 0.000 0.925 1251 Q HN 0.583 nan 8.270 nan 0.000 0.414 1252 E N -0.470 119.895 120.200 0.274 0.000 2.437 1252 E HA 0.004 4.355 4.350 0.002 0.000 0.189 1252 E C 1.269 177.972 176.600 0.172 0.000 1.054 1252 E CA 0.412 56.961 56.400 0.249 0.000 0.874 1252 E CB 0.528 30.344 29.700 0.193 0.000 1.011 1252 E HN 0.306 nan 8.360 nan 0.000 0.474 1253 S N -0.617 115.144 115.700 0.103 0.000 2.511 1253 S HA 0.134 4.606 4.470 0.002 0.000 0.214 1253 S C 0.532 175.079 174.600 -0.088 0.000 0.997 1253 S CA -0.497 57.679 58.200 -0.040 0.000 0.908 1253 S CB -0.282 62.827 63.200 -0.152 0.000 0.803 1253 S HN -0.026 nan 8.310 nan 0.000 0.504 1254 F N 1.594 121.609 119.950 0.108 0.000 2.399 1254 F HA 0.348 4.876 4.527 0.002 0.000 0.342 1254 F C 1.585 177.472 175.800 0.144 0.000 1.106 1254 F CA -0.672 57.390 58.000 0.103 0.000 1.196 1254 F CB 0.911 39.960 39.000 0.082 0.000 1.163 1254 F HN -0.177 nan 8.300 nan 0.000 0.547 1255 V N 2.027 122.130 119.914 0.315 0.000 2.469 1255 V HA -0.303 3.818 4.120 0.002 0.000 0.251 1255 V C 1.974 178.271 176.094 0.338 0.000 1.064 1255 V CA 2.093 64.570 62.300 0.295 0.000 1.066 1255 V CB -0.651 31.267 31.823 0.159 0.000 0.667 1255 V HN 0.878 nan 8.190 nan 0.000 0.461 1256 N N -0.812 118.050 118.700 0.271 0.000 2.322 1256 N HA -0.049 4.692 4.740 0.002 0.000 0.194 1256 N C 1.194 176.801 175.510 0.161 0.000 1.126 1256 N CA 0.861 54.027 53.050 0.195 0.000 0.845 1256 N CB 0.258 38.809 38.487 0.107 0.000 0.976 1256 N HN 0.406 nan 8.380 nan 0.000 0.475 1257 T N 0.973 115.658 114.554 0.219 0.000 2.942 1257 T HA 0.052 4.403 4.350 0.002 0.000 0.265 1257 T C 1.799 176.645 174.700 0.243 0.000 1.062 1257 T CA 0.687 62.884 62.100 0.162 0.000 1.139 1257 T CB 0.023 69.046 68.868 0.258 0.000 0.883 1257 T HN 0.043 nan 8.240 nan 0.000 0.468 1258 M N 2.047 121.814 119.600 0.278 0.000 2.084 1258 M HA -0.005 4.476 4.480 0.002 0.000 0.259 1258 M C 2.748 179.191 176.300 0.238 0.000 1.072 1258 M CA 1.876 57.303 55.300 0.211 0.000 1.107 1258 M CB -1.268 31.304 32.600 -0.047 0.000 1.299 1258 M HN 0.280 nan 8.290 nan 0.000 0.413 1259 A N -0.044 122.922 122.820 0.242 0.000 1.915 1259 A HA -0.222 4.099 4.320 0.002 0.000 0.220 1259 A C 2.427 180.097 177.584 0.144 0.000 1.198 1259 A CA 2.933 55.089 52.037 0.198 0.000 0.647 1259 A CB -1.528 17.577 19.000 0.175 0.000 0.825 1259 A HN 0.575 nan 8.150 nan 0.000 0.456 1260 A N -1.747 121.120 122.820 0.078 0.000 1.883 1260 A HA -0.203 4.118 4.320 0.002 0.000 0.217 1260 A C 2.021 179.601 177.584 -0.006 0.000 1.186 1260 A CA 1.505 53.521 52.037 -0.034 0.000 0.624 1260 A CB -1.063 17.827 19.000 -0.183 0.000 0.822 1260 A HN 0.777 nan 8.150 nan 0.000 0.444 1261 W N -0.272 121.078 121.300 0.083 0.000 2.350 1261 W HA -0.147 4.514 4.660 0.002 0.000 0.289 1261 W C 2.216 178.806 176.519 0.118 0.000 1.215 1261 W CA 1.142 58.540 57.345 0.088 0.000 1.236 1261 W CB -0.293 29.206 29.460 0.065 0.000 1.130 1261 W HN 0.159 nan 8.180 nan 0.000 0.541 1262 V N 0.031 120.145 119.914 0.334 0.000 2.407 1262 V HA -0.335 3.786 4.120 0.002 0.000 0.248 1262 V C 1.677 177.901 176.094 0.218 0.000 1.055 1262 V CA 2.293 64.753 62.300 0.267 0.000 1.049 1262 V CB -0.952 31.000 31.823 0.215 0.000 0.662 1262 V HN 0.260 nan 8.190 nan 0.000 0.455 1263 N N -0.762 118.044 118.700 0.177 0.000 2.416 1263 N HA 0.014 4.755 4.740 0.002 0.000 0.177 1263 N C 1.609 177.212 175.510 0.156 0.000 1.036 1263 N CA 0.639 53.779 53.050 0.150 0.000 0.901 1263 N CB -0.032 38.519 38.487 0.107 0.000 0.976 1263 N HN 0.416 nan 8.380 nan 0.000 0.444 1264 M N -0.641 119.058 119.600 0.164 0.000 2.556 1264 M HA 0.150 4.631 4.480 0.002 0.000 0.245 1264 M C 0.721 177.162 176.300 0.235 0.000 1.128 1264 M CA 0.540 55.937 55.300 0.162 0.000 1.069 1264 M CB 0.531 33.178 32.600 0.077 0.000 1.469 1264 M HN 0.152 nan 8.290 nan 0.000 0.494 1265 L N -1.814 119.566 121.223 0.262 0.000 2.766 1265 L HA 0.223 4.565 4.340 0.002 0.000 0.241 1265 L C 1.495 178.438 176.870 0.122 0.000 1.080 1265 L CA 0.060 55.053 54.840 0.256 0.000 0.909 1265 L CB 0.339 42.638 42.059 0.400 0.000 1.277 1265 L HN 0.223 nan 8.230 nan 0.000 0.510 1266 L N -0.263 121.021 121.223 0.101 0.000 3.260 1266 L HA 0.219 4.560 4.340 0.002 0.000 0.171 1266 L C 0.430 177.334 176.870 0.057 0.000 1.315 1266 L CA -0.107 54.729 54.840 -0.007 0.000 0.886 1266 L CB 0.093 42.143 42.059 -0.015 0.000 1.431 1266 L HN 0.027 nan 8.230 nan 0.000 0.583 1267 L N 0.454 121.770 121.223 0.155 0.000 2.352 1267 L HA 0.406 4.747 4.340 0.002 0.000 0.272 1267 L C 0.194 177.266 176.870 0.337 0.000 1.109 1267 L CA -0.553 54.455 54.840 0.279 0.000 0.952 1267 L CB 0.389 42.578 42.059 0.217 0.000 1.314 1267 L HN 0.140 nan 8.230 nan 0.000 0.427 1268 S N 1.653 117.604 115.700 0.419 0.000 2.457 1268 S HA 0.443 4.914 4.470 0.002 0.000 0.294 1268 S C 0.343 175.090 174.600 0.244 0.000 1.201 1268 S CA -0.055 58.329 58.200 0.307 0.000 1.112 1268 S CB 0.107 63.482 63.200 0.291 0.000 1.018 1268 S HN 0.871 nan 8.310 nan 0.000 0.511 1269 S N 1.886 117.686 115.700 0.167 0.000 2.546 1269 S HA 0.522 4.993 4.470 0.002 0.000 0.274 1269 S C -0.166 174.421 174.600 -0.023 0.000 1.121 1269 S CA -0.857 57.390 58.200 0.077 0.000 0.887 1269 S CB 1.448 64.764 63.200 0.194 0.000 1.094 1269 S HN 0.501 nan 8.310 nan 0.000 0.474 1270 T N 2.388 116.838 114.554 -0.174 0.000 3.327 1270 T HA 0.419 4.770 4.350 0.002 0.000 0.241 1270 T C 0.804 175.448 174.700 -0.092 0.000 0.907 1270 T CA -0.065 61.929 62.100 -0.178 0.000 0.931 1270 T CB -0.666 67.949 68.868 -0.421 0.000 1.112 1270 T HN 0.886 nan 8.240 nan 0.000 0.589 1271 G N 2.249 111.029 108.800 -0.032 0.000 2.528 1271 G HA2 0.546 4.507 3.960 0.002 0.000 0.289 1271 G HA3 0.546 4.507 3.960 0.002 0.000 0.289 1271 G C -2.632 172.267 174.900 -0.000 0.000 1.192 1271 G CA -1.554 43.540 45.100 -0.010 0.000 0.921 1271 G HN 0.128 nan 8.290 nan 0.000 0.512 1272 P HA 0.290 nan 4.420 nan 0.000 0.269 1272 P C -0.300 177.009 177.300 0.015 0.000 1.215 1272 P CA 0.024 63.127 63.100 0.006 0.000 0.780 1272 P CB 0.754 32.456 31.700 0.003 0.000 0.898 1273 I N -1.880 118.701 120.570 0.018 0.000 2.512 1273 I HA 0.566 4.738 4.170 0.002 0.000 0.287 1273 I C -1.067 175.066 176.117 0.027 0.000 1.069 1273 I CA -0.884 60.433 61.300 0.028 0.000 1.056 1273 I CB 2.352 40.373 38.000 0.034 0.000 1.229 1273 I HN 0.057 nan 8.210 nan 0.000 0.429 1274 K N 5.033 125.452 120.400 0.032 0.000 2.604 1274 K HA 0.416 4.737 4.320 0.002 0.000 0.247 1274 K C -0.677 175.947 176.600 0.039 0.000 0.956 1274 K CA -0.542 55.763 56.287 0.030 0.000 0.896 1274 K CB 2.119 34.633 32.500 0.023 0.000 1.131 1274 K HN 0.794 nan 8.250 nan 0.000 0.440 1275 T N 0.581 115.162 114.554 0.045 0.000 2.771 1275 T HA 0.596 4.947 4.350 0.002 0.000 0.281 1275 T C -2.323 172.396 174.700 0.032 0.000 0.982 1275 T CA -1.892 60.238 62.100 0.051 0.000 0.978 1275 T CB 1.102 70.020 68.868 0.082 0.000 0.930 1275 T HN 0.146 nan 8.240 nan 0.000 0.447 1276 P HA 0.642 nan 4.420 nan 0.000 0.285 1276 P C -1.181 176.104 177.300 -0.024 0.000 1.280 1276 P CA -0.990 62.108 63.100 -0.003 0.000 0.862 1276 P CB 1.441 33.135 31.700 -0.010 0.000 1.153 1277 V N 0.992 120.896 119.914 -0.016 0.000 2.383 1277 V HA 0.417 4.538 4.120 0.002 0.000 0.264 1277 V C 0.908 176.995 176.094 -0.011 0.000 1.001 1277 V CA -0.275 62.011 62.300 -0.024 0.000 0.828 1277 V CB 0.852 32.669 31.823 -0.009 0.000 1.069 1277 V HN 0.859 nan 8.190 nan 0.000 0.451 1278 G N 2.294 111.082 108.800 -0.020 0.000 3.702 1278 G HA2 0.547 4.508 3.960 0.002 0.000 0.288 1278 G HA3 0.547 4.508 3.960 0.002 0.000 0.288 1278 G C 0.868 175.782 174.900 0.023 0.000 1.193 1278 G CA 0.747 45.845 45.100 -0.003 0.000 0.952 1278 G HN 1.143 nan 8.290 nan 0.000 0.544 1279 A N -0.537 122.302 122.820 0.032 0.000 5.578 1279 A HA -0.356 3.965 4.320 0.002 0.000 0.312 1279 A C 2.244 179.883 177.584 0.092 0.000 1.861 1279 A CA 1.408 53.491 52.037 0.076 0.000 0.719 1279 A CB -1.620 17.484 19.000 0.173 0.000 1.323 1279 A HN 0.899 nan 8.150 nan 0.000 0.387 1280 C N -0.620 118.798 119.300 0.196 0.000 2.403 1280 C HA 0.153 4.615 4.460 0.002 0.000 0.279 1280 C C 2.749 177.808 174.990 0.115 0.000 1.269 1280 C CA 1.722 60.886 59.018 0.242 0.000 1.774 1280 C CB -1.823 26.175 27.740 0.429 0.000 1.993 1280 C HN 1.577 nan 8.230 nan 0.000 0.496 1281 A N -0.324 122.508 122.820 0.020 0.000 2.462 1281 A HA 0.207 4.528 4.320 0.002 0.000 0.261 1281 A C 1.706 179.252 177.584 -0.062 0.000 1.323 1281 A CA 0.508 52.498 52.037 -0.077 0.000 0.913 1281 A CB -0.532 18.372 19.000 -0.161 0.000 1.028 1281 A HN 0.503 nan 8.150 nan 0.000 0.511 1282 T N 0.606 115.134 114.554 -0.042 0.000 2.652 1282 T HA -0.192 4.160 4.350 0.002 0.000 0.267 1282 T C 2.350 177.013 174.700 -0.062 0.000 1.039 1282 T CA 1.943 64.007 62.100 -0.059 0.000 1.153 1282 T CB -0.323 68.491 68.868 -0.090 0.000 0.863 1282 T HN 0.679 nan 8.240 nan 0.000 0.428 1283 A N 0.753 123.534 122.820 -0.065 0.000 1.958 1283 A HA -0.130 4.191 4.320 0.002 0.000 0.221 1283 A C 2.576 180.143 177.584 -0.029 0.000 1.178 1283 A CA 1.826 53.836 52.037 -0.045 0.000 0.642 1283 A CB -1.081 17.891 19.000 -0.047 0.000 0.816 1283 A HN 0.389 nan 8.150 nan 0.000 0.453 1284 V N -0.235 119.651 119.914 -0.047 0.000 2.283 1284 V HA -0.242 3.879 4.120 0.002 0.000 0.243 1284 V C 2.498 178.562 176.094 -0.050 0.000 1.039 1284 V CA 2.111 64.379 62.300 -0.054 0.000 1.016 1284 V CB -0.768 31.000 31.823 -0.092 0.000 0.650 1284 V HN 0.827 nan 8.190 nan 0.000 0.449 1285 E N 0.183 120.349 120.200 -0.055 0.000 2.187 1285 E HA -0.309 4.042 4.350 0.002 0.000 0.199 1285 E C 2.302 178.895 176.600 -0.012 0.000 1.004 1285 E CA 1.733 58.111 56.400 -0.038 0.000 0.813 1285 E CB -0.228 29.450 29.700 -0.037 0.000 0.736 1285 E HN 0.538 nan 8.360 nan 0.000 0.468 1286 S N -0.290 115.404 115.700 -0.010 0.000 2.368 1286 S HA -0.147 4.324 4.470 0.002 0.000 0.224 1286 S C 1.950 176.569 174.600 0.032 0.000 1.029 1286 S CA 1.006 59.213 58.200 0.012 0.000 0.988 1286 S CB -0.318 62.888 63.200 0.010 0.000 0.838 1286 S HN 0.394 nan 8.310 nan 0.000 0.462 1287 L N 2.411 123.647 121.223 0.023 0.000 2.012 1287 L HA -0.099 4.242 4.340 0.002 0.000 0.210 1287 L C 2.208 179.116 176.870 0.064 0.000 1.073 1287 L CA 2.572 57.434 54.840 0.036 0.000 0.748 1287 L CB -0.979 41.081 42.059 0.003 0.000 0.891 1287 L HN 0.409 nan 8.230 nan 0.000 0.431 1288 D N -0.682 119.737 120.400 0.033 0.000 2.095 1288 D HA -0.200 4.442 4.640 0.002 0.000 0.192 1288 D C 2.104 178.487 176.300 0.138 0.000 0.990 1288 D CA 2.339 56.384 54.000 0.075 0.000 0.836 1288 D CB -0.252 40.561 40.800 0.022 0.000 0.979 1288 D HN 0.209 nan 8.370 nan 0.000 0.447 1289 V N 1.200 121.159 119.914 0.076 0.000 2.250 1289 V HA -0.296 3.826 4.120 0.002 0.000 0.253 1289 V C 2.692 178.828 176.094 0.071 0.000 1.065 1289 V CA 2.461 64.798 62.300 0.062 0.000 1.039 1289 V CB -1.286 30.560 31.823 0.038 0.000 0.647 1289 V HN 0.457 nan 8.190 nan 0.000 0.446 1290 G N -1.881 106.967 108.800 0.080 0.000 2.459 1290 G HA2 -0.356 3.605 3.960 0.002 0.000 0.217 1290 G HA3 -0.356 3.605 3.960 0.002 0.000 0.217 1290 G C 1.454 176.413 174.900 0.099 0.000 1.183 1290 G CA 1.243 46.389 45.100 0.076 0.000 0.776 1290 G HN 0.570 nan 8.290 nan 0.000 0.552 1291 Y N 2.118 122.424 120.300 0.009 0.000 2.014 1291 Y HA -0.268 4.284 4.550 0.002 0.000 0.272 1291 Y C 2.543 178.447 175.900 0.008 0.000 1.164 1291 Y CA 2.470 60.578 58.100 0.013 0.000 1.114 1291 Y CB -0.478 37.991 38.460 0.015 0.000 0.961 1291 Y HN 0.228 nan 8.280 nan 0.000 0.489 1292 D N -0.730 119.657 120.400 -0.021 0.000 2.104 1292 D HA -0.180 4.461 4.640 0.002 0.000 0.194 1292 D C 2.210 178.436 176.300 -0.123 0.000 0.994 1292 D CA 2.223 56.145 54.000 -0.130 0.000 0.830 1292 D CB -0.775 40.031 40.800 0.011 0.000 0.959 1292 D HN 0.429 nan 8.370 nan 0.000 0.452 1293 T N 0.855 115.378 114.554 -0.052 0.000 2.737 1293 T HA -0.119 4.232 4.350 0.002 0.000 0.269 1293 T C 2.136 176.798 174.700 -0.063 0.000 1.040 1293 T CA 0.641 62.715 62.100 -0.042 0.000 1.142 1293 T CB -0.177 68.685 68.868 -0.011 0.000 0.861 1293 T HN 0.187 nan 8.240 nan 0.000 0.456 1294 I N 0.431 120.953 120.570 -0.081 0.000 2.353 1294 I HA -0.001 4.170 4.170 0.002 0.000 0.248 1294 I C 1.853 177.897 176.117 -0.121 0.000 1.119 1294 I CA 0.950 62.202 61.300 -0.080 0.000 1.417 1294 I CB -0.165 37.802 38.000 -0.055 0.000 1.078 1294 I HN 0.235 nan 8.210 nan 0.000 0.421 1295 M N 0.345 119.817 119.600 -0.213 0.000 2.654 1295 M HA -0.001 4.481 4.480 0.002 0.000 0.217 1295 M C 0.545 176.750 176.300 -0.158 0.000 1.183 1295 M CA 0.792 55.957 55.300 -0.225 0.000 0.991 1295 M CB 0.006 32.373 32.600 -0.387 0.000 1.749 1295 M HN 0.280 nan 8.290 nan 0.000 0.475 1296 Q N -0.674 119.058 119.800 -0.113 0.000 2.057 1296 Q HA 0.203 4.544 4.340 0.002 0.000 0.216 1296 Q C 0.962 176.926 176.000 -0.061 0.000 0.788 1296 Q CA 0.235 55.986 55.803 -0.085 0.000 1.053 1296 Q CB 1.511 30.203 28.738 -0.076 0.000 1.210 1296 Q HN 0.708 nan 8.270 nan 0.000 0.455 1297 G N 1.794 110.561 108.800 -0.055 0.000 2.189 1297 G HA2 -0.327 3.634 3.960 0.002 0.000 0.267 1297 G HA3 -0.327 3.634 3.960 0.002 0.000 0.267 1297 G C 1.130 176.017 174.900 -0.022 0.000 0.975 1297 G CA 0.797 45.876 45.100 -0.035 0.000 0.644 1297 G HN 0.194 nan 8.290 nan 0.000 0.537 1298 K N 0.003 120.387 120.400 -0.027 0.000 2.148 1298 K HA 0.361 4.682 4.320 0.002 0.000 0.204 1298 K C 1.218 177.814 176.600 -0.007 0.000 1.050 1298 K CA 1.570 57.848 56.287 -0.016 0.000 0.942 1298 K CB -0.055 32.433 32.500 -0.020 0.000 0.724 1298 K HN 1.393 nan 8.250 nan 0.000 0.446 1299 A N -0.099 122.715 122.820 -0.011 0.000 2.586 1299 A HA 0.531 4.852 4.320 0.002 0.000 0.291 1299 A C 0.008 177.587 177.584 -0.008 0.000 1.062 1299 A CA -0.714 51.320 52.037 -0.005 0.000 0.666 1299 A CB 0.976 19.967 19.000 -0.015 0.000 1.281 1299 A HN 0.019 nan 8.150 nan 0.000 0.421 1300 R N -0.364 120.135 120.500 -0.003 0.000 2.140 1300 R HA 0.320 4.662 4.340 0.002 0.000 0.200 1300 R C 0.538 176.830 176.300 -0.014 0.000 1.069 1300 R CA 0.747 56.850 56.100 0.006 0.000 1.088 1300 R CB 0.233 30.556 30.300 0.039 0.000 1.012 1300 R HN 0.481 nan 8.270 nan 0.000 0.500 1301 V N 0.152 120.022 119.914 -0.073 0.000 2.973 1301 V HA 0.455 4.576 4.120 0.002 0.000 0.314 1301 V C -0.913 175.089 176.094 -0.154 0.000 1.066 1301 V CA -0.375 61.834 62.300 -0.153 0.000 1.021 1301 V CB 1.819 33.373 31.823 -0.449 0.000 1.076 1301 V HN 0.444 nan 8.190 nan 0.000 0.462 1302 C N 5.619 124.843 119.300 -0.125 0.000 3.234 1302 C HA 0.353 4.815 4.460 0.002 0.000 0.439 1302 C C -1.140 173.841 174.990 -0.015 0.000 0.946 1302 C CA -1.056 57.924 59.018 -0.063 0.000 1.193 1302 C CB -0.138 27.591 27.740 -0.018 0.000 1.579 1302 C HN 0.936 nan 8.230 nan 0.000 0.614 1303 L N 5.448 126.673 121.223 0.003 0.000 2.349 1303 L HA 0.751 5.092 4.340 0.002 0.000 0.275 1303 L C -0.037 176.875 176.870 0.070 0.000 1.115 1303 L CA -0.176 54.695 54.840 0.052 0.000 0.820 1303 L CB 1.389 43.493 42.059 0.076 0.000 1.135 1303 L HN 0.503 nan 8.230 nan 0.000 0.445 1304 V N 1.834 121.797 119.914 0.081 0.000 2.971 1304 V HA 0.950 5.071 4.120 0.002 0.000 0.309 1304 V C 0.133 176.283 176.094 0.094 0.000 1.130 1304 V CA -0.146 62.202 62.300 0.081 0.000 0.964 1304 V CB 2.015 33.879 31.823 0.068 0.000 1.029 1304 V HN 1.004 nan 8.190 nan 0.000 0.427 1305 G N 2.107 110.963 108.800 0.092 0.000 2.323 1305 G HA2 0.624 4.585 3.960 0.002 0.000 0.291 1305 G HA3 0.624 4.585 3.960 0.002 0.000 0.291 1305 G C -0.672 174.270 174.900 0.071 0.000 1.278 1305 G CA 0.199 45.358 45.100 0.099 0.000 0.860 1305 G HN 1.303 nan 8.290 nan 0.000 0.504 1306 G N -1.391 107.452 108.800 0.070 0.000 2.690 1306 G HA2 1.001 4.962 3.960 0.002 0.000 0.291 1306 G HA3 1.001 4.962 3.960 0.002 0.000 0.291 1306 G C -1.202 173.747 174.900 0.081 0.000 1.403 1306 G CA -0.101 44.976 45.100 -0.038 0.000 0.864 1306 G HN 1.784 nan 8.290 nan 0.000 0.480 1307 F N -1.071 118.900 119.950 0.036 0.000 2.678 1307 F HA 0.840 5.368 4.527 0.002 0.000 0.308 1307 F C -1.804 174.034 175.800 0.063 0.000 1.118 1307 F CA -1.116 56.921 58.000 0.061 0.000 0.959 1307 F CB 2.411 41.491 39.000 0.133 0.000 1.305 1307 F HN 0.478 nan 8.300 nan 0.000 0.443 1308 D N 0.730 121.342 120.400 0.353 0.000 2.706 1308 D HA 0.288 4.930 4.640 0.002 0.000 0.227 1308 D C -2.043 174.438 176.300 0.302 0.000 1.233 1308 D CA -0.187 53.985 54.000 0.285 0.000 0.768 1308 D CB 2.612 43.479 40.800 0.113 0.000 1.490 1308 D HN 0.704 nan 8.370 nan 0.000 0.458 1309 D N -0.146 120.439 120.400 0.308 0.000 2.442 1309 D HA 0.517 5.159 4.640 0.002 0.000 0.254 1309 D C -1.130 175.381 176.300 0.352 0.000 1.069 1309 D CA -0.460 53.756 54.000 0.360 0.000 1.017 1309 D CB 1.069 42.076 40.800 0.345 0.000 1.172 1309 D HN 0.150 nan 8.370 nan 0.000 0.561 1310 F N 1.274 121.390 119.950 0.276 0.000 2.420 1310 F HA 0.449 4.977 4.527 0.002 0.000 0.342 1310 F C -0.478 175.419 175.800 0.163 0.000 1.113 1310 F CA -0.135 57.993 58.000 0.213 0.000 1.059 1310 F CB 0.835 39.972 39.000 0.229 0.000 1.128 1310 F HN 0.145 nan 8.300 nan 0.000 0.475 1311 Q N 4.070 123.397 119.800 -0.787 0.000 2.462 1311 Q HA 0.106 4.447 4.340 0.002 0.000 0.285 1311 Q C 0.438 175.858 176.000 -0.966 0.000 1.035 1311 Q CA -0.683 54.701 55.803 -0.698 0.000 0.799 1311 Q CB 2.382 30.952 28.738 -0.281 0.000 1.452 1311 Q HN 0.885 nan 8.270 nan 0.000 0.404 1312 E N 1.138 120.789 120.200 -0.914 0.000 2.058 1312 E HA -0.245 4.106 4.350 0.002 0.000 0.194 1312 E C 0.838 177.108 176.600 -0.549 0.000 0.997 1312 E CA 1.861 57.607 56.400 -1.090 0.000 0.801 1312 E CB 0.368 29.497 29.700 -0.952 0.000 0.746 1312 E HN 0.523 nan 8.360 nan 0.000 0.450 1313 E N -0.099 119.864 120.200 -0.395 0.000 2.152 1313 E HA -0.096 4.255 4.350 0.002 0.000 0.192 1313 E C 2.091 178.561 176.600 -0.217 0.000 0.983 1313 E CA 0.935 57.173 56.400 -0.270 0.000 0.818 1313 E CB -0.410 29.149 29.700 -0.236 0.000 0.758 1313 E HN 0.405 nan 8.360 nan 0.000 0.467 1314 G N 1.720 110.365 108.800 -0.259 0.000 2.505 1314 G HA2 -0.307 3.654 3.960 0.002 0.000 0.214 1314 G HA3 -0.307 3.654 3.960 0.002 0.000 0.214 1314 G C 1.705 176.571 174.900 -0.057 0.000 1.237 1314 G CA 1.225 46.202 45.100 -0.206 0.000 0.802 1314 G HN 0.373 nan 8.290 nan 0.000 0.549 1315 S N -0.598 115.079 115.700 -0.039 0.000 2.392 1315 S HA -0.259 4.212 4.470 0.002 0.000 0.232 1315 S C 2.111 176.940 174.600 0.383 0.000 1.041 1315 S CA 1.994 60.347 58.200 0.255 0.000 1.026 1315 S CB -0.494 62.844 63.200 0.230 0.000 0.845 1315 S HN 0.485 nan 8.310 nan 0.000 0.465 1316 Y N 1.209 121.568 120.300 0.098 0.000 2.293 1316 Y HA 0.002 4.553 4.550 0.002 0.000 0.291 1316 Y C 2.349 178.267 175.900 0.030 0.000 1.137 1316 Y CA 1.871 59.969 58.100 -0.004 0.000 1.202 1316 Y CB -0.163 38.059 38.460 -0.397 0.000 0.990 1316 Y HN 0.279 nan 8.280 nan 0.000 0.537 1317 E N -0.203 120.046 120.200 0.081 0.000 2.076 1317 E HA -0.109 4.242 4.350 0.002 0.000 0.190 1317 E C 1.865 178.419 176.600 -0.076 0.000 0.979 1317 E CA 1.330 57.700 56.400 -0.051 0.000 0.807 1317 E CB -0.642 28.933 29.700 -0.208 0.000 0.761 1317 E HN 0.519 nan 8.360 nan 0.000 0.454 1318 F N 0.524 120.484 119.950 0.015 0.000 2.126 1318 F HA -0.219 4.309 4.527 0.002 0.000 0.299 1318 F C 2.280 178.071 175.800 -0.014 0.000 1.096 1318 F CA 0.999 59.006 58.000 0.012 0.000 1.255 1318 F CB -0.367 38.638 39.000 0.009 0.000 0.997 1318 F HN 0.108 nan 8.300 nan 0.000 0.479 1319 A N 0.115 123.043 122.820 0.180 0.000 2.024 1319 A HA -0.247 4.075 4.320 0.002 0.000 0.220 1319 A C 1.750 179.341 177.584 0.013 0.000 1.164 1319 A CA 2.156 54.231 52.037 0.063 0.000 0.643 1319 A CB -0.896 18.171 19.000 0.112 0.000 0.806 1319 A HN 0.442 nan 8.150 nan 0.000 0.451 1320 N N -0.776 117.918 118.700 -0.011 0.000 2.396 1320 N HA 0.023 4.764 4.740 0.002 0.000 0.180 1320 N C 1.607 177.135 175.510 0.031 0.000 1.028 1320 N CA 1.273 54.313 53.050 -0.018 0.000 0.893 1320 N CB -0.180 38.289 38.487 -0.030 0.000 0.967 1320 N HN 0.545 nan 8.380 nan 0.000 0.440 1321 M N -2.021 117.626 119.600 0.077 0.000 2.435 1321 M HA 0.235 4.716 4.480 0.002 0.000 0.265 1321 M C 1.002 177.370 176.300 0.113 0.000 1.104 1321 M CA 0.770 56.144 55.300 0.123 0.000 1.140 1321 M CB 0.426 33.157 32.600 0.220 0.000 1.372 1321 M HN 0.213 nan 8.290 nan 0.000 0.456 1322 G N 0.121 108.973 108.800 0.087 0.000 2.148 1322 G HA2 -0.166 3.795 3.960 0.002 0.000 0.203 1322 G HA3 -0.166 3.795 3.960 0.002 0.000 0.203 1322 G C 0.791 175.709 174.900 0.031 0.000 0.993 1322 G CA 0.304 45.427 45.100 0.039 0.000 0.661 1322 G HN 0.484 nan 8.290 nan 0.000 0.518 1323 A N 0.137 123.002 122.820 0.075 0.000 1.832 1323 A HA 0.380 4.701 4.320 0.002 0.000 0.214 1323 A C 1.953 179.231 177.584 -0.510 0.000 1.204 1323 A CA 2.356 54.402 52.037 0.015 0.000 0.606 1323 A CB -1.064 18.141 19.000 0.342 0.000 0.849 1323 A HN 1.542 nan 8.150 nan 0.000 0.445 1324 T N 0.259 114.415 114.554 -0.664 0.000 2.734 1324 T HA 0.385 4.736 4.350 0.002 0.000 0.314 1324 T C 0.355 174.829 174.700 -0.377 0.000 1.057 1324 T CA 0.092 61.746 62.100 -0.742 0.000 1.047 1324 T CB 0.466 69.070 68.868 -0.439 0.000 0.991 1324 T HN 0.705 nan 8.240 nan 0.000 0.540 1325 S N 0.670 116.193 115.700 -0.295 0.000 2.451 1325 S HA 0.308 4.780 4.470 0.002 0.000 0.301 1325 S C -0.141 174.362 174.600 -0.162 0.000 1.116 1325 S CA -1.099 56.993 58.200 -0.180 0.000 1.093 1325 S CB 0.762 63.882 63.200 -0.133 0.000 1.017 1325 S HN 0.678 nan 8.310 nan 0.000 0.482 1326 N N 2.330 120.948 118.700 -0.137 0.000 2.400 1326 N HA 0.170 4.911 4.740 0.002 0.000 0.278 1326 N C 1.294 176.749 175.510 -0.091 0.000 1.247 1326 N CA 0.214 53.186 53.050 -0.129 0.000 0.970 1326 N CB 0.597 39.021 38.487 -0.105 0.000 1.312 1326 N HN 0.795 nan 8.380 nan 0.000 0.488 1327 A N 4.898 127.674 122.820 -0.074 0.000 1.903 1327 A HA -0.230 4.091 4.320 0.002 0.000 0.219 1327 A C 2.126 179.834 177.584 0.207 0.000 1.191 1327 A CA 1.605 53.666 52.037 0.039 0.000 0.638 1327 A CB -0.358 18.726 19.000 0.139 0.000 0.823 1327 A HN 0.726 nan 8.150 nan 0.000 0.451 1328 K N -0.673 119.797 120.400 0.116 0.000 2.063 1328 K HA -0.164 4.157 4.320 0.002 0.000 0.208 1328 K C 2.084 178.722 176.600 0.063 0.000 1.048 1328 K CA 1.747 58.092 56.287 0.097 0.000 0.928 1328 K CB -0.163 32.333 32.500 -0.008 0.000 0.713 1328 K HN 0.652 nan 8.250 nan 0.000 0.442 1329 E N 0.122 120.321 120.200 -0.002 0.000 2.106 1329 E HA -0.176 4.175 4.350 0.002 0.000 0.192 1329 E C 1.827 178.401 176.600 -0.044 0.000 0.984 1329 E CA 0.936 57.317 56.400 -0.033 0.000 0.806 1329 E CB 0.146 29.813 29.700 -0.054 0.000 0.750 1329 E HN 0.320 nan 8.360 nan 0.000 0.458 1330 E N -0.281 119.883 120.200 -0.061 0.000 2.158 1330 E HA -0.078 4.273 4.350 0.002 0.000 0.191 1330 E C 1.605 178.109 176.600 -0.161 0.000 0.982 1330 E CA 0.290 56.612 56.400 -0.131 0.000 0.823 1330 E CB 0.021 29.608 29.700 -0.189 0.000 0.766 1330 E HN 0.230 nan 8.360 nan 0.000 0.468 1331 F N 0.630 120.526 119.950 -0.091 0.000 2.451 1331 F HA -0.097 4.431 4.527 0.002 0.000 0.299 1331 F C 2.106 177.833 175.800 -0.120 0.000 1.101 1331 F CA 0.776 58.719 58.000 -0.094 0.000 1.436 1331 F CB 0.178 39.125 39.000 -0.088 0.000 1.074 1331 F HN 0.003 nan 8.300 nan 0.000 0.553 1332 A N -0.538 122.301 122.820 0.032 0.000 2.275 1332 A HA 0.122 4.443 4.320 0.002 0.000 0.212 1332 A C 1.811 179.317 177.584 -0.131 0.000 1.201 1332 A CA 0.009 52.011 52.037 -0.058 0.000 0.843 1332 A CB -0.249 18.715 19.000 -0.061 0.000 0.873 1332 A HN 0.256 nan 8.150 nan 0.000 0.492 1333 R N -1.225 119.196 120.500 -0.132 0.000 2.432 1333 R HA 0.250 4.591 4.340 0.002 0.000 0.260 1333 R C 1.145 177.322 176.300 -0.205 0.000 0.935 1333 R CA 0.538 56.537 56.100 -0.169 0.000 1.080 1333 R CB 0.350 30.574 30.300 -0.126 0.000 1.155 1333 R HN 0.584 nan 8.270 nan 0.000 0.531 1334 G N 1.717 110.394 108.800 -0.206 0.000 2.176 1334 G HA2 -0.254 3.707 3.960 0.002 0.000 0.253 1334 G HA3 -0.254 3.707 3.960 0.002 0.000 0.253 1334 G C 0.118 174.973 174.900 -0.076 0.000 0.979 1334 G CA -0.294 44.668 45.100 -0.230 0.000 0.641 1334 G HN 0.094 nan 8.290 nan 0.000 0.530 1335 R N 1.305 121.732 120.500 -0.121 0.000 2.590 1335 R HA 0.377 4.718 4.340 0.002 0.000 0.274 1335 R C 0.601 176.748 176.300 -0.255 0.000 1.061 1335 R CA 0.160 56.170 56.100 -0.150 0.000 1.081 1335 R CB 0.360 30.538 30.300 -0.204 0.000 0.984 1335 R HN 0.632 nan 8.270 nan 0.000 0.448 1336 E N 3.259 123.361 120.200 -0.162 0.000 2.250 1336 E HA 0.304 4.655 4.350 0.002 0.000 0.269 1336 E C -2.234 174.236 176.600 -0.217 0.000 1.018 1336 E CA -2.040 54.266 56.400 -0.156 0.000 0.873 1336 E CB 0.798 30.488 29.700 -0.016 0.000 1.134 1336 E HN 0.209 nan 8.360 nan 0.000 0.403 1337 P HA -0.056 nan 4.420 nan 0.000 0.262 1337 P C 0.584 177.860 177.300 -0.040 0.000 1.182 1337 P CA 1.039 64.071 63.100 -0.114 0.000 0.761 1337 P CB 0.328 32.037 31.700 0.016 0.000 0.795 1338 G N 2.773 111.557 108.800 -0.027 0.000 2.205 1338 G HA2 -0.294 3.667 3.960 0.002 0.000 0.261 1338 G HA3 -0.294 3.667 3.960 0.002 0.000 0.261 1338 G C 0.363 175.312 174.900 0.082 0.000 0.980 1338 G CA 0.049 45.178 45.100 0.049 0.000 0.632 1338 G HN 0.569 nan 8.290 nan 0.000 0.533 1339 E N -0.154 120.062 120.200 0.027 0.000 2.815 1339 E HA 0.479 4.830 4.350 0.002 0.000 0.211 1339 E C 1.565 178.152 176.600 -0.022 0.000 1.004 1339 E CA -0.229 56.190 56.400 0.031 0.000 1.173 1339 E CB 0.160 29.877 29.700 0.029 0.000 1.163 1339 E HN 0.580 nan 8.360 nan 0.000 0.449 1340 M N -0.844 118.734 119.600 -0.036 0.000 2.313 1340 M HA 0.220 4.702 4.480 0.002 0.000 0.273 1340 M C 0.739 177.025 176.300 -0.023 0.000 1.049 1340 M CA 0.073 55.329 55.300 -0.073 0.000 1.004 1340 M CB 0.980 33.498 32.600 -0.137 0.000 1.461 1340 M HN -0.104 nan 8.290 nan 0.000 0.514 1341 S N 2.271 117.989 115.700 0.030 0.000 2.475 1341 S HA 0.463 4.934 4.470 0.002 0.000 0.249 1341 S C -0.526 174.120 174.600 0.076 0.000 1.298 1341 S CA -0.675 57.566 58.200 0.070 0.000 1.125 1341 S CB 0.090 63.363 63.200 0.121 0.000 1.054 1341 S HN 0.371 nan 8.310 nan 0.000 0.484 1342 R N 4.002 124.510 120.500 0.013 0.000 2.312 1342 R HA 0.346 4.688 4.340 0.002 0.000 0.310 1342 R C -2.390 173.849 176.300 -0.101 0.000 1.064 1342 R CA -1.900 54.176 56.100 -0.040 0.000 0.983 1342 R CB 0.885 31.145 30.300 -0.066 0.000 1.139 1342 R HN 0.246 nan 8.270 nan 0.000 0.536 1343 P HA -0.123 nan 4.420 nan 0.000 0.222 1343 P C 0.519 177.542 177.300 -0.462 0.000 1.147 1343 P CA 1.153 64.108 63.100 -0.242 0.000 0.790 1343 P CB 0.456 32.019 31.700 -0.229 0.000 0.780 1344 T N -6.946 107.290 114.554 -0.530 0.000 3.041 1344 T HA 0.166 4.517 4.350 0.002 0.000 0.276 1344 T C 0.768 175.233 174.700 -0.392 0.000 0.948 1344 T CA -0.252 61.493 62.100 -0.592 0.000 0.885 1344 T CB -0.580 67.726 68.868 -0.937 0.000 1.175 1344 T HN -0.089 nan 8.240 nan 0.000 0.529 1345 S N 1.728 117.265 115.700 -0.272 0.000 2.549 1345 S HA 0.046 4.517 4.470 0.002 0.000 0.278 1345 S C 1.579 176.097 174.600 -0.136 0.000 1.344 1345 S CA 0.367 58.466 58.200 -0.169 0.000 1.025 1345 S CB 0.297 63.433 63.200 -0.106 0.000 0.851 1345 S HN 0.435 nan 8.310 nan 0.000 0.530 1346 T N 2.508 117.012 114.554 -0.083 0.000 2.915 1346 T HA -0.054 4.297 4.350 0.002 0.000 0.269 1346 T C 1.646 176.317 174.700 -0.049 0.000 1.071 1346 T CA 1.688 63.755 62.100 -0.057 0.000 1.132 1346 T CB -0.422 68.436 68.868 -0.018 0.000 0.878 1346 T HN 0.800 nan 8.240 nan 0.000 0.479 1347 T N 1.849 116.376 114.554 -0.045 0.000 3.100 1347 T HA 0.078 4.430 4.350 0.002 0.000 0.253 1347 T C 0.824 175.493 174.700 -0.051 0.000 1.118 1347 T CA -0.368 61.708 62.100 -0.040 0.000 1.058 1347 T CB -0.259 68.592 68.868 -0.029 0.000 0.953 1347 T HN 0.559 nan 8.240 nan 0.000 0.515 1348 R N 3.127 123.588 120.500 -0.064 0.000 2.504 1348 R HA 0.059 4.401 4.340 0.002 0.000 0.291 1348 R C 0.382 176.654 176.300 -0.047 0.000 0.974 1348 R CA 0.508 56.572 56.100 -0.061 0.000 1.077 1348 R CB -0.030 30.221 30.300 -0.082 0.000 0.926 1348 R HN 0.255 nan 8.270 nan 0.000 0.407 1349 N N 1.435 120.111 118.700 -0.040 0.000 2.129 1349 N HA 0.164 4.905 4.740 0.002 0.000 0.222 1349 N C -0.108 175.380 175.510 -0.037 0.000 1.303 1349 N CA 0.267 53.293 53.050 -0.040 0.000 0.897 1349 N CB 1.405 39.862 38.487 -0.051 0.000 1.093 1349 N HN 0.774 nan 8.380 nan 0.000 0.501 1350 G N -0.022 108.762 108.800 -0.028 0.000 2.355 1350 G HA2 0.375 4.337 3.960 0.002 0.000 0.296 1350 G HA3 0.375 4.337 3.960 0.002 0.000 0.296 1350 G C -1.310 173.587 174.900 -0.006 0.000 1.507 1350 G CA -0.808 44.267 45.100 -0.041 0.000 0.823 1350 G HN 0.225 nan 8.290 nan 0.000 0.569 1351 F N -0.219 119.719 119.950 -0.020 0.000 2.291 1351 F HA 0.929 5.457 4.527 0.002 0.000 0.305 1351 F C 0.112 175.895 175.800 -0.028 0.000 1.171 1351 F CA -1.748 56.245 58.000 -0.011 0.000 1.090 1351 F CB 1.046 40.062 39.000 0.028 0.000 1.436 1351 F HN 0.479 nan 8.300 nan 0.000 0.509 1352 M N 2.188 122.074 119.600 0.476 0.000 2.114 1352 M HA 0.321 4.802 4.480 0.002 0.000 0.332 1352 M C -0.756 175.759 176.300 0.359 0.000 1.014 1352 M CA -0.817 54.635 55.300 0.254 0.000 0.956 1352 M CB 0.611 33.316 32.600 0.175 0.000 1.551 1352 M HN 0.596 nan 8.290 nan 0.000 0.427 1353 E N 1.893 122.197 120.200 0.173 0.000 2.413 1353 E HA 0.293 4.644 4.350 0.002 0.000 0.263 1353 E C -0.974 175.685 176.600 0.099 0.000 1.015 1353 E CA 0.282 56.799 56.400 0.195 0.000 0.916 1353 E CB 0.878 30.730 29.700 0.253 0.000 0.947 1353 E HN 0.696 nan 8.360 nan 0.000 0.440 1354 S N 1.104 116.892 115.700 0.146 0.000 2.567 1354 S HA 0.331 4.803 4.470 0.002 0.000 0.270 1354 S C -1.621 173.086 174.600 0.178 0.000 1.152 1354 S CA -0.773 57.504 58.200 0.127 0.000 0.835 1354 S CB 1.151 64.467 63.200 0.193 0.000 1.115 1354 S HN 0.478 nan 8.310 nan 0.000 0.459 1355 Q N 1.306 121.217 119.800 0.186 0.000 2.458 1355 Q HA 0.896 5.237 4.340 0.002 0.000 0.282 1355 Q C 0.057 176.126 176.000 0.115 0.000 1.106 1355 Q CA -0.735 55.178 55.803 0.183 0.000 0.814 1355 Q CB 1.753 30.644 28.738 0.254 0.000 1.425 1355 Q HN 1.332 nan 8.270 nan 0.000 0.437 1356 G N -0.613 108.202 108.800 0.024 0.000 2.343 1356 G HA2 0.226 4.187 3.960 0.002 0.000 0.465 1356 G HA3 0.226 4.187 3.960 0.002 0.000 0.465 1356 G C -0.743 174.264 174.900 0.179 0.000 1.282 1356 G CA -0.489 44.608 45.100 -0.004 0.000 0.996 1356 G HN 1.569 nan 8.290 nan 0.000 0.521 1357 C N -1.341 118.137 119.300 0.298 0.000 3.318 1357 C HA 1.123 5.585 4.460 0.002 0.000 0.329 1357 C C 0.378 175.660 174.990 0.486 0.000 1.449 1357 C CA 0.231 59.444 59.018 0.325 0.000 1.397 1357 C CB 1.423 29.387 27.740 0.373 0.000 1.810 1357 C HN 2.758 nan 8.230 nan 0.000 0.449 1358 G N 0.437 109.445 108.800 0.347 0.000 2.760 1358 G HA2 0.633 4.594 3.960 0.002 0.000 0.296 1358 G HA3 0.633 4.594 3.960 0.002 0.000 0.296 1358 G C -1.765 173.274 174.900 0.231 0.000 1.427 1358 G CA -0.254 45.066 45.100 0.367 0.000 1.109 1358 G HN 1.194 nan 8.290 nan 0.000 0.553 1359 V N 1.924 121.953 119.914 0.191 0.000 3.001 1359 V HA 0.803 4.924 4.120 0.002 0.000 0.314 1359 V C -0.823 175.329 176.094 0.097 0.000 1.099 1359 V CA -0.842 61.547 62.300 0.147 0.000 0.989 1359 V CB 2.159 34.078 31.823 0.159 0.000 1.040 1359 V HN 0.926 nan 8.190 nan 0.000 0.434 1360 Q N 1.669 121.516 119.800 0.079 0.000 2.281 1360 Q HA 0.565 4.907 4.340 0.002 0.000 0.263 1360 Q C -1.329 174.707 176.000 0.059 0.000 0.989 1360 Q CA -0.584 55.244 55.803 0.041 0.000 0.852 1360 Q CB 2.115 30.867 28.738 0.024 0.000 1.337 1360 Q HN 0.618 nan 8.270 nan 0.000 0.418 1361 V N 4.357 124.310 119.914 0.064 0.000 2.546 1361 V HA 0.649 4.770 4.120 0.002 0.000 0.284 1361 V C -0.173 175.968 176.094 0.079 0.000 1.050 1361 V CA -0.371 61.978 62.300 0.081 0.000 0.981 1361 V CB 0.564 32.461 31.823 0.123 0.000 0.990 1361 V HN 0.779 nan 8.190 nan 0.000 0.474 1362 I N 4.421 125.031 120.570 0.067 0.000 2.646 1362 I HA 0.735 4.907 4.170 0.002 0.000 0.299 1362 I C -0.563 175.591 176.117 0.061 0.000 1.036 1362 I CA -0.943 60.400 61.300 0.073 0.000 1.074 1362 I CB 2.254 40.303 38.000 0.081 0.000 1.258 1362 I HN 0.646 nan 8.210 nan 0.000 0.430 1363 M N 2.303 121.946 119.600 0.073 0.000 2.664 1363 M HA 0.387 4.869 4.480 0.002 0.000 0.279 1363 M C -0.531 175.805 176.300 0.061 0.000 1.275 1363 M CA -0.659 54.679 55.300 0.065 0.000 0.829 1363 M CB 2.940 35.594 32.600 0.090 0.000 1.727 1363 M HN 0.623 nan 8.290 nan 0.000 0.459 1364 T N 1.256 115.840 114.554 0.050 0.000 2.901 1364 T HA 0.182 4.534 4.350 0.002 0.000 0.301 1364 T C 1.146 175.876 174.700 0.051 0.000 1.012 1364 T CA 0.279 62.407 62.100 0.047 0.000 1.135 1364 T CB 1.213 70.104 68.868 0.038 0.000 0.936 1364 T HN 0.737 nan 8.240 nan 0.000 0.539 1365 A N 3.291 126.147 122.820 0.059 0.000 1.927 1365 A HA -0.229 4.092 4.320 0.002 0.000 0.220 1365 A C 2.242 179.843 177.584 0.027 0.000 1.185 1365 A CA 1.772 53.835 52.037 0.043 0.000 0.639 1365 A CB -0.646 18.400 19.000 0.077 0.000 0.820 1365 A HN 0.919 nan 8.150 nan 0.000 0.451 1366 Q N -1.000 118.822 119.800 0.037 0.000 1.927 1366 Q HA -0.180 4.161 4.340 0.002 0.000 0.210 1366 Q C 2.177 178.192 176.000 0.024 0.000 1.001 1366 Q CA 1.515 57.338 55.803 0.033 0.000 0.862 1366 Q CB -0.457 28.304 28.738 0.038 0.000 0.934 1366 Q HN 0.637 nan 8.270 nan 0.000 0.420 1367 L N 0.528 121.770 121.223 0.031 0.000 2.103 1367 L HA -0.283 4.058 4.340 0.002 0.000 0.215 1367 L C 2.208 179.067 176.870 -0.017 0.000 1.080 1367 L CA 1.973 56.823 54.840 0.017 0.000 0.764 1367 L CB -0.926 41.169 42.059 0.059 0.000 0.890 1367 L HN 0.306 nan 8.230 nan 0.000 0.435 1368 A N 0.162 122.994 122.820 0.020 0.000 1.841 1368 A HA -0.242 4.079 4.320 0.002 0.000 0.216 1368 A C 2.178 179.799 177.584 0.063 0.000 1.199 1368 A CA 1.983 54.044 52.037 0.040 0.000 0.621 1368 A CB -0.855 18.172 19.000 0.044 0.000 0.835 1368 A HN 0.503 nan 8.150 nan 0.000 0.445 1369 L N -0.832 120.403 121.223 0.020 0.000 2.093 1369 L HA -0.162 4.179 4.340 0.002 0.000 0.208 1369 L C 2.633 179.569 176.870 0.110 0.000 1.085 1369 L CA 1.663 56.526 54.840 0.039 0.000 0.755 1369 L CB -0.514 41.486 42.059 -0.098 0.000 0.904 1369 L HN 0.649 nan 8.230 nan 0.000 0.435 1370 E N 0.532 120.741 120.200 0.015 0.000 2.077 1370 E HA -0.237 4.115 4.350 0.002 0.000 0.193 1370 E C 2.316 178.815 176.600 -0.169 0.000 0.989 1370 E CA 1.258 57.644 56.400 -0.023 0.000 0.800 1370 E CB -0.014 29.676 29.700 -0.018 0.000 0.746 1370 E HN 0.440 nan 8.360 nan 0.000 0.452 1371 M N -0.588 118.800 119.600 -0.353 0.000 2.156 1371 M HA 0.041 4.522 4.480 0.002 0.000 0.264 1371 M C 1.073 177.262 176.300 -0.185 0.000 1.067 1371 M CA 1.165 56.100 55.300 -0.608 0.000 1.131 1371 M CB 0.206 32.454 32.600 -0.587 0.000 1.368 1371 M HN 0.324 nan 8.290 nan 0.000 0.416 1372 G N 1.856 110.659 108.800 0.005 0.000 2.545 1372 G HA2 -0.086 3.875 3.960 0.002 0.000 0.279 1372 G HA3 -0.086 3.875 3.960 0.002 0.000 0.279 1372 G C -0.402 174.488 174.900 -0.016 0.000 1.131 1372 G CA -0.038 45.095 45.100 0.054 0.000 1.100 1372 G HN 0.470 nan 8.290 nan 0.000 0.525 1373 V N -1.974 117.992 119.914 0.086 0.000 2.919 1373 V HA 0.939 5.060 4.120 0.002 0.000 0.316 1373 V C -1.818 174.290 176.094 0.023 0.000 1.077 1373 V CA -3.025 59.267 62.300 -0.013 0.000 0.977 1373 V CB 1.971 33.789 31.823 -0.009 0.000 1.039 1373 V HN 0.173 nan 8.190 nan 0.000 0.441 1374 P HA 0.351 nan 4.420 nan 0.000 0.269 1374 P C -0.742 176.557 177.300 -0.000 0.000 1.217 1374 P CA 0.231 63.193 63.100 -0.230 0.000 0.783 1374 P CB 0.297 31.593 31.700 -0.674 0.000 0.898 1375 I N 1.629 122.221 120.570 0.037 0.000 2.476 1375 I HA 0.203 4.374 4.170 0.002 0.000 0.281 1375 I C 0.247 176.349 176.117 -0.025 0.000 1.040 1375 I CA -0.390 60.955 61.300 0.074 0.000 1.094 1375 I CB 1.436 39.497 38.000 0.101 0.000 1.219 1375 I HN 0.374 nan 8.210 nan 0.000 0.450 1376 Y N 4.414 124.711 120.300 -0.005 0.000 2.475 1376 Y HA 0.279 4.830 4.550 0.002 0.000 0.289 1376 Y C 1.517 177.378 175.900 -0.065 0.000 1.121 1376 Y CA 0.652 58.730 58.100 -0.038 0.000 1.257 1376 Y CB 0.565 38.998 38.460 -0.044 0.000 1.026 1376 Y HN 0.650 nan 8.280 nan 0.000 0.555 1377 G N -0.736 108.109 108.800 0.074 0.000 2.328 1377 G HA2 0.375 4.336 3.960 0.002 0.000 0.295 1377 G HA3 0.375 4.336 3.960 0.002 0.000 0.295 1377 G C -1.938 172.924 174.900 -0.063 0.000 1.413 1377 G CA -1.007 44.092 45.100 -0.001 0.000 0.817 1377 G HN -0.104 nan 8.290 nan 0.000 0.546 1378 I N 0.893 121.364 120.570 -0.165 0.000 2.362 1378 I HA 0.301 4.472 4.170 0.002 0.000 0.289 1378 I C 0.227 176.236 176.117 -0.180 0.000 0.994 1378 I CA -1.000 60.167 61.300 -0.221 0.000 1.158 1378 I CB 2.021 39.717 38.000 -0.507 0.000 1.315 1378 I HN 0.178 nan 8.210 nan 0.000 0.451 1379 V N 7.084 126.955 119.914 -0.073 0.000 2.377 1379 V HA 0.005 4.126 4.120 0.002 0.000 0.254 1379 V C 1.306 177.333 176.094 -0.112 0.000 1.060 1379 V CA 0.436 62.672 62.300 -0.107 0.000 1.068 1379 V CB 0.218 32.015 31.823 -0.043 0.000 1.113 1379 V HN 1.008 nan 8.190 nan 0.000 0.484 1380 A N 5.384 128.086 122.820 -0.196 0.000 1.855 1380 A HA 0.126 4.447 4.320 0.002 0.000 0.215 1380 A C 0.957 178.499 177.584 -0.071 0.000 1.191 1380 A CA 1.357 53.341 52.037 -0.089 0.000 0.613 1380 A CB 0.104 18.991 19.000 -0.189 0.000 0.829 1380 A HN 0.698 nan 8.150 nan 0.000 0.442 1381 M N -0.831 118.618 119.600 -0.251 0.000 2.534 1381 M HA 0.474 4.955 4.480 0.002 0.000 0.280 1381 M C -1.854 174.219 176.300 -0.380 0.000 1.217 1381 M CA -0.073 55.065 55.300 -0.271 0.000 0.893 1381 M CB 2.050 34.547 32.600 -0.172 0.000 1.730 1381 M HN 0.373 nan 8.290 nan 0.000 0.483 1382 T N 0.097 114.416 114.554 -0.392 0.000 2.883 1382 T HA 0.915 5.267 4.350 0.002 0.000 0.301 1382 T C -0.991 173.630 174.700 -0.132 0.000 1.158 1382 T CA -0.259 61.674 62.100 -0.278 0.000 1.007 1382 T CB 1.766 70.438 68.868 -0.327 0.000 1.186 1382 T HN 1.141 nan 8.240 nan 0.000 0.499 1383 S N -0.003 115.634 115.700 -0.106 0.000 2.586 1383 S HA 0.717 5.189 4.470 0.002 0.000 0.277 1383 S C -0.747 173.801 174.600 -0.086 0.000 1.131 1383 S CA -0.821 57.342 58.200 -0.061 0.000 0.848 1383 S CB 1.140 64.313 63.200 -0.045 0.000 1.091 1383 S HN 1.464 nan 8.310 nan 0.000 0.453 1384 T N -1.006 113.511 114.554 -0.062 0.000 2.912 1384 T HA 0.951 5.302 4.350 0.002 0.000 0.288 1384 T C -0.311 174.351 174.700 -0.064 0.000 1.030 1384 T CA -0.632 61.422 62.100 -0.077 0.000 1.020 1384 T CB 1.534 70.370 68.868 -0.053 0.000 1.056 1384 T HN 2.010 nan 8.240 nan 0.000 0.480 1385 A N 1.585 124.361 122.820 -0.074 0.000 2.532 1385 A HA 0.677 4.998 4.320 0.002 0.000 0.296 1385 A C -0.092 177.472 177.584 -0.033 0.000 1.058 1385 A CA -0.944 51.062 52.037 -0.050 0.000 0.729 1385 A CB 1.099 20.064 19.000 -0.057 0.000 1.285 1385 A HN 0.868 nan 8.150 nan 0.000 0.396 1386 T N 1.481 116.028 114.554 -0.012 0.000 2.881 1386 T HA 0.575 4.927 4.350 0.002 0.000 0.278 1386 T C -0.235 174.472 174.700 0.013 0.000 0.982 1386 T CA -0.366 61.737 62.100 0.005 0.000 0.989 1386 T CB 0.702 69.574 68.868 0.007 0.000 1.058 1386 T HN 0.668 nan 8.240 nan 0.000 0.529 1387 D N -0.136 120.278 120.400 0.022 0.000 2.589 1387 D HA 0.337 4.978 4.640 0.002 0.000 0.268 1387 D C 0.461 176.770 176.300 0.014 0.000 1.182 1387 D CA -0.730 53.284 54.000 0.023 0.000 1.087 1387 D CB 0.529 41.350 40.800 0.034 0.000 1.186 1387 D HN 0.554 nan 8.370 nan 0.000 0.620 1388 K N -0.137 120.270 120.400 0.012 0.000 2.273 1388 K HA 0.334 4.655 4.320 0.002 0.000 0.240 1388 K C 0.301 176.906 176.600 0.009 0.000 1.056 1388 K CA -0.595 55.696 56.287 0.007 0.000 0.910 1388 K CB 0.324 32.827 32.500 0.004 0.000 1.196 1388 K HN 0.292 nan 8.250 nan 0.000 0.509 1389 I N 0.404 120.978 120.570 0.007 0.000 2.813 1389 I HA 0.121 4.292 4.170 0.002 0.000 0.287 1389 I C 0.733 176.856 176.117 0.009 0.000 1.196 1389 I CA 1.003 62.308 61.300 0.008 0.000 1.421 1389 I CB 0.604 38.608 38.000 0.007 0.000 1.365 1389 I HN 0.918 nan 8.210 nan 0.000 0.591 1390 G N 4.945 113.751 108.800 0.011 0.000 2.488 1390 G HA2 0.401 4.362 3.960 0.002 0.000 0.301 1390 G HA3 0.401 4.362 3.960 0.002 0.000 0.301 1390 G C -0.399 174.509 174.900 0.014 0.000 1.339 1390 G CA -0.601 44.505 45.100 0.011 0.000 0.803 1390 G HN 0.410 nan 8.290 nan 0.000 0.482 1391 R N -0.516 119.993 120.500 0.015 0.000 2.531 1391 R HA 0.279 4.620 4.340 0.002 0.000 0.316 1391 R C 0.708 177.022 176.300 0.023 0.000 0.955 1391 R CA -0.128 55.983 56.100 0.019 0.000 1.120 1391 R CB 0.878 31.188 30.300 0.016 0.000 1.361 1391 R HN 0.400 nan 8.270 nan 0.000 0.534 1392 S N 1.185 116.897 115.700 0.020 0.000 2.399 1392 S HA 0.191 4.662 4.470 0.002 0.000 0.301 1392 S C 1.416 176.031 174.600 0.026 0.000 1.093 1392 S CA -0.372 57.842 58.200 0.022 0.000 1.077 1392 S CB 0.876 64.081 63.200 0.009 0.000 0.980 1392 S HN -0.056 nan 8.310 nan 0.000 0.494 1393 V N 7.512 127.457 119.914 0.051 0.000 2.515 1393 V HA -0.020 4.101 4.120 0.002 0.000 0.250 1393 V C -1.050 175.078 176.094 0.056 0.000 1.058 1393 V CA 1.405 63.752 62.300 0.078 0.000 1.064 1393 V CB -1.092 30.807 31.823 0.127 0.000 0.675 1393 V HN 0.682 nan 8.190 nan 0.000 0.461 1394 P HA 0.199 nan 4.420 nan 0.000 0.238 1394 P C 0.435 177.571 177.300 -0.273 0.000 1.183 1394 P CA 0.502 63.415 63.100 -0.313 0.000 0.813 1394 P CB 0.047 31.527 31.700 -0.367 0.000 0.944 1395 A N 2.257 125.005 122.820 -0.121 0.000 2.550 1395 A HA 0.172 4.493 4.320 0.002 0.000 0.263 1395 A C -1.931 175.603 177.584 -0.084 0.000 1.065 1395 A CA -0.395 51.589 52.037 -0.089 0.000 0.786 1395 A CB -1.310 17.666 19.000 -0.042 0.000 0.985 1395 A HN 0.130 nan 8.150 nan 0.000 0.518 1396 P HA 0.423 nan 4.420 nan 0.000 0.271 1396 P C 0.534 177.786 177.300 -0.080 0.000 1.216 1396 P CA 0.320 63.354 63.100 -0.110 0.000 0.771 1396 P CB 1.320 32.874 31.700 -0.243 0.000 0.864 1397 G N 1.307 110.112 108.800 0.008 0.000 3.015 1397 G HA2 0.352 4.313 3.960 0.002 0.000 0.281 1397 G HA3 0.352 4.313 3.960 0.002 0.000 0.281 1397 G C -1.034 173.936 174.900 0.117 0.000 1.386 1397 G CA -0.618 44.502 45.100 0.033 0.000 0.959 1397 G HN 0.392 nan 8.290 nan 0.000 0.522 1398 Q N 0.246 120.098 119.800 0.086 0.000 2.735 1398 Q HA 0.260 4.601 4.340 0.002 0.000 0.380 1398 Q C 1.478 177.525 176.000 0.079 0.000 1.060 1398 Q CA -0.138 55.729 55.803 0.106 0.000 1.025 1398 Q CB 0.942 29.710 28.738 0.050 0.000 1.350 1398 Q HN 0.645 nan 8.270 nan 0.000 0.424 1399 G N -0.127 108.730 108.800 0.096 0.000 2.394 1399 G HA2 -0.168 3.793 3.960 0.002 0.000 0.215 1399 G HA3 -0.168 3.793 3.960 0.002 0.000 0.215 1399 G C 1.273 176.173 174.900 0.000 0.000 1.165 1399 G CA 0.378 45.498 45.100 0.033 0.000 0.784 1399 G HN 0.359 nan 8.290 nan 0.000 0.535 1400 V N 1.388 121.298 119.914 -0.006 0.000 3.026 1400 V HA -0.041 4.081 4.120 0.002 0.000 0.265 1400 V C 2.550 178.616 176.094 -0.046 0.000 1.121 1400 V CA 0.623 62.876 62.300 -0.079 0.000 1.142 1400 V CB -0.500 31.207 31.823 -0.193 0.000 0.730 1400 V HN 0.331 nan 8.190 nan 0.000 0.503 1401 L N 1.580 122.797 121.223 -0.010 0.000 2.127 1401 L HA -0.162 4.179 4.340 0.002 0.000 0.211 1401 L C 2.549 179.390 176.870 -0.048 0.000 1.089 1401 L CA 2.327 57.151 54.840 -0.028 0.000 0.757 1401 L CB -0.537 41.506 42.059 -0.027 0.000 0.899 1401 L HN 0.677 nan 8.230 nan 0.000 0.434 1402 T N -4.901 109.627 114.554 -0.043 0.000 3.215 1402 T HA -0.071 4.280 4.350 0.002 0.000 0.254 1402 T C 1.440 176.117 174.700 -0.037 0.000 1.149 1402 T CA 0.761 62.836 62.100 -0.041 0.000 1.042 1402 T CB -0.695 68.155 68.868 -0.031 0.000 0.966 1402 T HN 0.493 nan 8.240 nan 0.000 0.534 1403 T N -2.053 112.470 114.554 -0.052 0.000 3.148 1403 T HA 0.497 4.848 4.350 0.002 0.000 0.253 1403 T C 1.396 176.056 174.700 -0.067 0.000 1.134 1403 T CA 0.173 62.235 62.100 -0.063 0.000 1.051 1403 T CB -0.145 68.668 68.868 -0.091 0.000 0.959 1403 T HN 0.456 nan 8.240 nan 0.000 0.525 1404 A N 1.842 124.637 122.820 -0.043 0.000 2.589 1404 A HA 0.385 4.706 4.320 0.002 0.000 0.283 1404 A C 0.850 178.464 177.584 0.049 0.000 1.187 1404 A CA -0.875 51.157 52.037 -0.009 0.000 0.957 1404 A CB -0.144 18.856 19.000 0.000 0.000 1.175 1404 A HN 0.644 nan 8.150 nan 0.000 0.532 1405 R N 0.943 121.450 120.500 0.011 0.000 2.370 1405 R HA 0.434 4.775 4.340 0.002 0.000 0.309 1405 R C -0.460 175.881 176.300 0.069 0.000 1.059 1405 R CA 0.201 56.316 56.100 0.025 0.000 0.981 1405 R CB 0.308 30.608 30.300 0.000 0.000 0.972 1405 R HN 0.361 nan 8.270 nan 0.000 0.437 1406 E N 2.982 123.266 120.200 0.139 0.000 2.451 1406 E HA 0.133 4.484 4.350 0.002 0.000 0.295 1406 E C -1.761 174.922 176.600 0.138 0.000 0.966 1406 E CA -0.778 55.688 56.400 0.109 0.000 0.808 1406 E CB 1.799 31.534 29.700 0.058 0.000 1.242 1406 E HN 0.670 nan 8.360 nan 0.000 0.412 1407 K N 3.264 123.711 120.400 0.078 0.000 2.484 1407 K HA 0.278 4.600 4.320 0.002 0.000 0.226 1407 K C -0.985 175.635 176.600 0.034 0.000 1.031 1407 K CA -0.422 55.902 56.287 0.062 0.000 1.026 1407 K CB 0.854 33.387 32.500 0.055 0.000 1.412 1407 K HN 0.540 nan 8.250 nan 0.000 0.492 1408 S N 0.960 116.665 115.700 0.008 0.000 2.565 1408 S HA 0.385 4.856 4.470 0.002 0.000 0.274 1408 S C 0.949 175.549 174.600 -0.001 0.000 1.309 1408 S CA -0.842 57.360 58.200 0.003 0.000 1.043 1408 S CB 1.693 64.882 63.200 -0.018 0.000 0.939 1408 S HN 0.562 nan 8.310 nan 0.000 0.504 1409 G N 1.714 110.524 108.800 0.017 0.000 2.913 1409 G HA2 0.034 3.996 3.960 0.002 0.000 0.145 1409 G HA3 0.034 3.996 3.960 0.002 0.000 0.145 1409 G C 0.788 175.665 174.900 -0.038 0.000 1.801 1409 G CA -0.224 44.885 45.100 0.015 0.000 1.033 1409 G HN 0.776 nan 8.290 nan 0.000 0.495 1410 N N -0.889 117.774 118.700 -0.061 0.000 2.415 1410 N HA 0.111 4.852 4.740 0.002 0.000 0.174 1410 N C -0.493 174.723 175.510 -0.490 0.000 1.048 1410 N CA 0.386 53.256 53.050 -0.299 0.000 0.895 1410 N CB 0.637 38.878 38.487 -0.410 0.000 1.036 1410 N HN 0.202 nan 8.380 nan 0.000 0.449 1411 F N 1.623 121.564 119.950 -0.014 0.000 2.482 1411 F HA 0.433 4.961 4.527 0.002 0.000 0.331 1411 F C -2.039 173.747 175.800 -0.023 0.000 1.115 1411 F CA -2.294 55.695 58.000 -0.019 0.000 0.955 1411 F CB 1.032 40.018 39.000 -0.023 0.000 1.136 1411 F HN -0.240 nan 8.300 nan 0.000 0.452 1412 P HA 0.022 nan 4.420 nan 0.000 0.266 1412 P C -0.277 177.056 177.300 0.054 0.000 1.195 1412 P CA -0.164 62.978 63.100 0.071 0.000 0.768 1412 P CB 0.680 32.412 31.700 0.053 0.000 0.838 1413 S N 3.849 119.571 115.700 0.036 0.000 2.552 1413 S HA 0.044 4.515 4.470 0.002 0.000 0.289 1413 S C -1.237 173.317 174.600 -0.076 0.000 1.304 1413 S CA -0.867 57.331 58.200 -0.002 0.000 1.063 1413 S CB -0.161 63.070 63.200 0.052 0.000 0.848 1413 S HN 0.245 nan 8.310 nan 0.000 0.499 1414 P HA -0.132 nan 4.420 nan 0.000 0.217 1414 P C 1.245 178.335 177.300 -0.351 0.000 1.151 1414 P CA 1.275 64.071 63.100 -0.507 0.000 0.849 1414 P CB -0.035 30.928 31.700 -1.228 0.000 0.787 1415 L N -1.929 119.192 121.223 -0.171 0.000 2.265 1415 L HA -0.145 4.196 4.340 0.002 0.000 0.215 1415 L C 2.226 179.080 176.870 -0.028 0.000 1.117 1415 L CA 0.979 55.828 54.840 0.015 0.000 0.782 1415 L CB -0.907 41.273 42.059 0.202 0.000 0.914 1415 L HN -0.027 nan 8.230 nan 0.000 0.441 1416 L N -1.097 120.164 121.223 0.064 0.000 2.291 1416 L HA -0.070 4.271 4.340 0.002 0.000 0.214 1416 L C 0.940 177.834 176.870 0.040 0.000 1.120 1416 L CA 0.373 55.272 54.840 0.099 0.000 0.799 1416 L CB -0.372 41.745 42.059 0.097 0.000 0.925 1416 L HN 0.174 nan 8.230 nan 0.000 0.446 1417 D N 0.777 121.184 120.400 0.012 0.000 2.325 1417 D HA 0.017 4.659 4.640 0.002 0.000 0.251 1417 D C 1.058 177.367 176.300 0.015 0.000 1.196 1417 D CA 0.070 54.084 54.000 0.023 0.000 0.866 1417 D CB 1.380 42.197 40.800 0.028 0.000 1.101 1417 D HN 0.102 nan 8.370 nan 0.000 0.476 1418 I N 4.093 124.662 120.570 -0.002 0.000 2.454 1418 I HA -0.261 3.911 4.170 0.002 0.000 0.254 1418 I C 1.660 177.753 176.117 -0.039 0.000 1.156 1418 I CA 1.043 62.322 61.300 -0.035 0.000 1.433 1418 I CB 0.273 38.264 38.000 -0.015 0.000 1.082 1418 I HN 0.318 nan 8.210 nan 0.000 0.432 1419 K N -0.068 120.326 120.400 -0.009 0.000 2.057 1419 K HA -0.241 4.080 4.320 0.002 0.000 0.206 1419 K C 2.099 178.677 176.600 -0.036 0.000 1.050 1419 K CA 1.826 58.099 56.287 -0.024 0.000 0.935 1419 K CB -0.567 31.931 32.500 -0.004 0.000 0.715 1419 K HN 0.366 nan 8.250 nan 0.000 0.439 1420 Y N 2.314 122.549 120.300 -0.109 0.000 2.165 1420 Y HA -0.258 4.293 4.550 0.002 0.000 0.286 1420 Y C 2.088 177.862 175.900 -0.210 0.000 1.155 1420 Y CA 1.558 59.580 58.100 -0.129 0.000 1.164 1420 Y CB 0.048 38.453 38.460 -0.092 0.000 0.978 1420 Y HN -0.070 nan 8.280 nan 0.000 0.513 1421 R N -0.309 120.095 120.500 -0.160 0.000 2.092 1421 R HA -0.123 4.219 4.340 0.002 0.000 0.231 1421 R C 2.432 178.484 176.300 -0.413 0.000 1.119 1421 R CA 0.969 56.864 56.100 -0.342 0.000 0.970 1421 R CB -0.295 29.891 30.300 -0.190 0.000 0.864 1421 R HN 0.257 nan 8.270 nan 0.000 0.440 1422 R N 1.092 121.440 120.500 -0.253 0.000 2.097 1422 R HA -0.143 4.198 4.340 0.002 0.000 0.236 1422 R C 2.224 178.363 176.300 -0.269 0.000 1.135 1422 R CA 1.629 57.605 56.100 -0.208 0.000 0.934 1422 R CB -0.393 29.830 30.300 -0.128 0.000 0.846 1422 R HN 0.257 nan 8.270 nan 0.000 0.431 1423 R N 0.243 120.564 120.500 -0.298 0.000 2.113 1423 R HA -0.176 4.166 4.340 0.002 0.000 0.231 1423 R C 2.342 178.395 176.300 -0.412 0.000 1.129 1423 R CA 1.804 57.719 56.100 -0.308 0.000 0.915 1423 R CB -0.396 29.713 30.300 -0.318 0.000 0.837 1423 R HN 0.313 nan 8.270 nan 0.000 0.430 1424 Q N 0.557 119.959 119.800 -0.664 0.000 2.152 1424 Q HA -0.213 4.129 4.340 0.002 0.000 0.206 1424 Q C 2.201 177.747 176.000 -0.758 0.000 0.985 1424 Q CA 1.276 56.578 55.803 -0.834 0.000 0.863 1424 Q CB -0.466 27.417 28.738 -1.425 0.000 0.904 1424 Q HN 0.270 nan 8.270 nan 0.000 0.422 1425 L N 1.172 121.977 121.223 -0.697 0.000 1.948 1425 L HA -0.166 4.176 4.340 0.002 0.000 0.212 1425 L C 1.961 178.720 176.870 -0.185 0.000 1.074 1425 L CA 1.986 56.619 54.840 -0.345 0.000 0.753 1425 L CB -0.518 41.410 42.059 -0.218 0.000 0.888 1425 L HN 0.058 nan 8.230 nan 0.000 0.432 1426 E N -0.495 119.604 120.200 -0.169 0.000 2.409 1426 E HA -0.164 4.187 4.350 0.002 0.000 0.198 1426 E C 2.014 178.554 176.600 -0.100 0.000 1.024 1426 E CA 0.339 56.676 56.400 -0.104 0.000 0.861 1426 E CB -0.140 29.509 29.700 -0.087 0.000 0.788 1426 E HN 0.405 nan 8.360 nan 0.000 0.521 1427 L N 0.790 121.923 121.223 -0.149 0.000 1.976 1427 L HA -0.158 4.183 4.340 0.002 0.000 0.209 1427 L C 1.925 178.752 176.870 -0.071 0.000 1.071 1427 L CA 1.804 56.572 54.840 -0.120 0.000 0.746 1427 L CB -0.392 41.563 42.059 -0.174 0.000 0.890 1427 L HN 0.126 nan 8.230 nan 0.000 0.432 1428 R N -0.175 120.284 120.500 -0.069 0.000 2.237 1428 R HA -0.070 4.272 4.340 0.002 0.000 0.219 1428 R C 2.132 178.425 176.300 -0.012 0.000 1.080 1428 R CA 0.488 56.578 56.100 -0.015 0.000 0.995 1428 R CB -0.226 30.098 30.300 0.039 0.000 0.875 1428 R HN 0.497 nan 8.270 nan 0.000 0.462 1429 R N -0.047 120.439 120.500 -0.023 0.000 2.090 1429 R HA -0.041 4.300 4.340 0.002 0.000 0.228 1429 R C 2.122 178.429 176.300 0.011 0.000 1.110 1429 R CA 0.733 56.829 56.100 -0.007 0.000 0.973 1429 R CB 0.030 30.321 30.300 -0.015 0.000 0.869 1429 R HN 0.185 nan 8.270 nan 0.000 0.440 1430 Q N 0.883 120.684 119.800 0.002 0.000 1.990 1430 Q HA -0.176 4.166 4.340 0.002 0.000 0.200 1430 Q C 2.017 178.040 176.000 0.039 0.000 0.980 1430 Q CA 1.386 57.200 55.803 0.017 0.000 0.832 1430 Q CB -0.224 28.514 28.738 0.001 0.000 0.897 1430 Q HN 0.367 nan 8.270 nan 0.000 0.427 1431 Q N -0.024 119.792 119.800 0.027 0.000 2.268 1431 Q HA -0.165 4.177 4.340 0.002 0.000 0.210 1431 Q C 1.992 178.040 176.000 0.080 0.000 0.988 1431 Q CA 0.945 56.775 55.803 0.046 0.000 0.883 1431 Q CB -0.033 28.718 28.738 0.022 0.000 0.911 1431 Q HN 0.366 nan 8.270 nan 0.000 0.430 1432 I N -0.373 120.234 120.570 0.061 0.000 2.339 1432 I HA -0.208 3.963 4.170 0.002 0.000 0.245 1432 I C 2.338 178.565 176.117 0.183 0.000 1.096 1432 I CA 0.744 62.092 61.300 0.079 0.000 1.408 1432 I CB -0.143 37.862 38.000 0.008 0.000 1.092 1432 I HN 0.146 nan 8.210 nan 0.000 0.423 1433 K N 0.885 121.366 120.400 0.134 0.000 2.152 1433 K HA -0.252 4.069 4.320 0.002 0.000 0.206 1433 K C 2.112 178.815 176.600 0.172 0.000 1.048 1433 K CA 1.686 58.062 56.287 0.149 0.000 0.933 1433 K CB 0.032 32.589 32.500 0.095 0.000 0.721 1433 K HN 0.491 nan 8.250 nan 0.000 0.447 1434 Q N -1.088 118.809 119.800 0.161 0.000 2.187 1434 Q HA -0.176 4.166 4.340 0.002 0.000 0.199 1434 Q C 1.988 178.093 176.000 0.176 0.000 0.957 1434 Q CA 1.003 56.889 55.803 0.139 0.000 0.857 1434 Q CB -0.639 28.162 28.738 0.104 0.000 0.929 1434 Q HN 0.467 nan 8.270 nan 0.000 0.453 1435 W N 2.481 123.800 121.300 0.032 0.000 2.358 1435 W HA -0.153 4.508 4.660 0.002 0.000 0.303 1435 W C 2.206 178.748 176.519 0.038 0.000 1.208 1435 W CA 1.925 59.285 57.345 0.024 0.000 1.274 1435 W CB 0.052 29.516 29.460 0.006 0.000 1.138 1435 W HN 0.094 nan 8.180 nan 0.000 0.515 1436 K N 0.135 120.789 120.400 0.423 0.000 2.127 1436 K HA -0.290 4.032 4.320 0.002 0.000 0.208 1436 K C 1.750 178.390 176.600 0.067 0.000 1.047 1436 K CA 2.168 58.609 56.287 0.256 0.000 0.927 1436 K CB -0.161 32.553 32.500 0.356 0.000 0.716 1436 K HN 0.088 nan 8.250 nan 0.000 0.450 1437 E N -0.042 120.231 120.200 0.122 0.000 2.042 1437 E HA -0.066 4.285 4.350 0.002 0.000 0.189 1437 E C 1.911 178.523 176.600 0.019 0.000 0.974 1437 E CA 0.986 57.478 56.400 0.153 0.000 0.806 1437 E CB -0.400 29.356 29.700 0.094 0.000 0.769 1437 E HN 0.213 nan 8.360 nan 0.000 0.451 1438 S N 0.244 115.899 115.700 -0.076 0.000 2.407 1438 S HA -0.287 4.185 4.470 0.002 0.000 0.235 1438 S C 1.912 176.377 174.600 -0.224 0.000 1.036 1438 S CA 1.898 60.023 58.200 -0.125 0.000 1.013 1438 S CB -0.149 62.971 63.200 -0.134 0.000 0.820 1438 S HN 0.203 nan 8.310 nan 0.000 0.476 1439 E N -0.665 119.240 120.200 -0.492 0.000 2.112 1439 E HA -0.001 4.351 4.350 0.002 0.000 0.190 1439 E C 1.598 178.043 176.600 -0.258 0.000 0.979 1439 E CA 1.000 57.057 56.400 -0.573 0.000 0.814 1439 E CB -0.444 28.540 29.700 -1.194 0.000 0.762 1439 E HN 0.685 nan 8.360 nan 0.000 0.460 1440 Y N 0.159 120.349 120.300 -0.183 0.000 2.165 1440 Y HA -0.166 4.386 4.550 0.002 0.000 0.286 1440 Y C 2.105 177.984 175.900 -0.036 0.000 1.155 1440 Y CA 1.450 59.506 58.100 -0.075 0.000 1.164 1440 Y CB -0.498 37.929 38.460 -0.054 0.000 0.978 1440 Y HN 0.127 nan 8.280 nan 0.000 0.513 1441 L N -1.208 120.092 121.223 0.128 0.000 1.955 1441 L HA -0.305 4.036 4.340 0.002 0.000 0.213 1441 L C 2.288 179.195 176.870 0.062 0.000 1.072 1441 L CA 1.888 56.770 54.840 0.070 0.000 0.755 1441 L CB -0.918 41.166 42.059 0.042 0.000 0.888 1441 L HN 0.293 nan 8.230 nan 0.000 0.432 1442 Y N -0.592 119.668 120.300 -0.067 0.000 2.181 1442 Y HA -0.322 4.229 4.550 0.002 0.000 0.284 1442 Y C 2.250 178.118 175.900 -0.053 0.000 1.179 1442 Y CA 1.803 59.859 58.100 -0.074 0.000 1.179 1442 Y CB -0.060 38.331 38.460 -0.115 0.000 0.973 1442 Y HN 0.187 nan 8.280 nan 0.000 0.519 1443 L N -0.640 120.665 121.223 0.136 0.000 2.109 1443 L HA -0.198 4.144 4.340 0.002 0.000 0.207 1443 L C 2.414 179.308 176.870 0.041 0.000 1.086 1443 L CA 1.293 56.192 54.840 0.098 0.000 0.760 1443 L CB -0.518 41.593 42.059 0.087 0.000 0.910 1443 L HN 0.235 nan 8.230 nan 0.000 0.437 1444 Q N 0.677 120.499 119.800 0.035 0.000 2.061 1444 Q HA -0.241 4.100 4.340 0.002 0.000 0.204 1444 Q C 1.934 177.901 176.000 -0.055 0.000 0.984 1444 Q CA 1.975 57.781 55.803 0.006 0.000 0.846 1444 Q CB -0.009 28.736 28.738 0.012 0.000 0.902 1444 Q HN 0.470 nan 8.270 nan 0.000 0.421 1445 E N -0.077 120.059 120.200 -0.106 0.000 2.007 1445 E HA -0.231 4.120 4.350 0.002 0.000 0.194 1445 E C 1.938 178.424 176.600 -0.189 0.000 0.999 1445 E CA 1.169 57.470 56.400 -0.164 0.000 0.811 1445 E CB -0.339 29.214 29.700 -0.245 0.000 0.762 1445 E HN 0.483 nan 8.360 nan 0.000 0.450 1446 E N 1.072 121.128 120.200 -0.240 0.000 2.273 1446 E HA -0.201 4.151 4.350 0.002 0.000 0.198 1446 E C 1.988 178.480 176.600 -0.180 0.000 1.002 1446 E CA 0.694 56.972 56.400 -0.204 0.000 0.828 1446 E CB 0.145 29.758 29.700 -0.145 0.000 0.747 1446 E HN 0.052 nan 8.360 nan 0.000 0.491 1447 V N 1.001 120.832 119.914 -0.137 0.000 2.223 1447 V HA -0.251 3.870 4.120 0.002 0.000 0.244 1447 V C 2.325 178.305 176.094 -0.190 0.000 1.045 1447 V CA 2.077 64.281 62.300 -0.161 0.000 1.000 1447 V CB -0.657 31.127 31.823 -0.064 0.000 0.635 1447 V HN 0.454 nan 8.190 nan 0.000 0.445 1448 A N -0.764 121.975 122.820 -0.136 0.000 2.206 1448 A HA 0.273 4.594 4.320 0.002 0.000 0.211 1448 A C 2.144 179.645 177.584 -0.138 0.000 1.158 1448 A CA 1.188 53.151 52.037 -0.124 0.000 0.761 1448 A CB -0.434 18.514 19.000 -0.086 0.000 0.801 1448 A HN 0.558 nan 8.150 nan 0.000 0.473 1449 A N -0.184 122.539 122.820 -0.162 0.000 2.119 1449 A HA 0.188 4.510 4.320 0.002 0.000 0.216 1449 A C 1.603 179.080 177.584 -0.178 0.000 1.152 1449 A CA 1.076 53.019 52.037 -0.158 0.000 0.708 1449 A CB -0.362 18.537 19.000 -0.169 0.000 0.805 1449 A HN 0.510 nan 8.150 nan 0.000 0.460 1450 I N -1.913 118.511 120.570 -0.244 0.000 4.018 1450 I HA 0.082 4.253 4.170 0.002 0.000 0.337 1450 I C 1.615 177.558 176.117 -0.290 0.000 1.327 1450 I CA 0.109 61.228 61.300 -0.301 0.000 1.100 1450 I CB 0.222 37.939 38.000 -0.471 0.000 1.025 1450 I HN 0.080 nan 8.210 nan 0.000 0.396 1451 K N 1.226 121.493 120.400 -0.221 0.000 2.167 1451 K HA -0.034 4.288 4.320 0.002 0.000 0.203 1451 K C 2.282 178.821 176.600 -0.101 0.000 1.052 1451 K CA 1.539 57.737 56.287 -0.147 0.000 0.956 1451 K CB 0.009 32.440 32.500 -0.114 0.000 0.735 1451 K HN 0.343 nan 8.250 nan 0.000 0.451 1452 S N 0.714 116.353 115.700 -0.102 0.000 2.461 1452 S HA -0.085 4.386 4.470 0.002 0.000 0.228 1452 S C 1.752 176.311 174.600 -0.068 0.000 1.005 1452 S CA 0.530 58.685 58.200 -0.075 0.000 0.942 1452 S CB 0.002 63.158 63.200 -0.072 0.000 0.776 1452 S HN 0.264 nan 8.310 nan 0.000 0.514 1453 Q N 0.263 120.011 119.800 -0.086 0.000 2.396 1453 Q HA 0.248 4.590 4.340 0.002 0.000 0.209 1453 Q C 0.787 176.754 176.000 -0.056 0.000 0.906 1453 Q CA -0.156 55.605 55.803 -0.070 0.000 0.927 1453 Q CB 0.172 28.860 28.738 -0.083 0.000 1.069 1453 Q HN 0.397 nan 8.270 nan 0.000 0.523 1454 R N 2.600 123.062 120.500 -0.064 0.000 2.421 1454 R HA 0.048 4.389 4.340 0.002 0.000 0.305 1454 R C -0.434 175.864 176.300 -0.004 0.000 1.039 1454 R CA 0.025 56.110 56.100 -0.025 0.000 1.003 1454 R CB 0.447 30.738 30.300 -0.015 0.000 0.959 1454 R HN 0.125 nan 8.270 nan 0.000 0.427 1455 S N 2.948 118.653 115.700 0.010 0.000 2.624 1455 S HA 0.036 4.507 4.470 0.002 0.000 0.263 1455 S C 0.685 175.297 174.600 0.020 0.000 1.287 1455 S CA -0.677 57.529 58.200 0.011 0.000 0.990 1455 S CB 1.039 64.246 63.200 0.011 0.000 0.950 1455 S HN 0.665 nan 8.310 nan 0.000 0.561 1456 E N 0.447 120.656 120.200 0.014 0.000 2.371 1456 E HA -0.037 4.314 4.350 0.002 0.000 0.194 1456 E C 1.142 177.752 176.600 0.016 0.000 1.012 1456 E CA 0.841 57.251 56.400 0.015 0.000 0.860 1456 E CB -0.607 29.098 29.700 0.009 0.000 0.811 1456 E HN 0.888 nan 8.360 nan 0.000 0.502 1457 E N 0.884 121.094 120.200 0.016 0.000 2.371 1457 E HA 0.023 4.374 4.350 0.002 0.000 0.194 1457 E C -0.082 176.530 176.600 0.020 0.000 1.012 1457 E CA 0.247 56.656 56.400 0.014 0.000 0.860 1457 E CB -0.035 29.672 29.700 0.011 0.000 0.811 1457 E HN 0.092 nan 8.360 nan 0.000 0.502 1458 D N 1.711 122.131 120.400 0.034 0.000 2.372 1458 D HA 0.179 4.820 4.640 0.002 0.000 0.243 1458 D C 0.468 176.795 176.300 0.045 0.000 1.121 1458 D CA 0.161 54.193 54.000 0.053 0.000 0.898 1458 D CB 0.846 41.702 40.800 0.093 0.000 1.202 1458 D HN 0.177 nan 8.370 nan 0.000 0.428 1459 G N 1.655 110.464 108.800 0.014 0.000 2.353 1459 G HA2 0.200 4.161 3.960 0.002 0.000 0.239 1459 G HA3 0.200 4.161 3.960 0.002 0.000 0.239 1459 G C -2.187 172.704 174.900 -0.016 0.000 1.295 1459 G CA -0.798 44.276 45.100 -0.043 0.000 0.884 1459 G HN 0.264 nan 8.290 nan 0.000 0.537 1460 P HA 0.015 nan 4.420 nan 0.000 0.258 1460 P C -0.429 176.870 177.300 -0.001 0.000 1.187 1460 P CA 0.183 63.303 63.100 0.032 0.000 0.767 1460 P CB 0.151 31.857 31.700 0.010 0.000 0.770 1461 F N 3.057 122.996 119.950 -0.018 0.000 2.434 1461 F HA 0.049 4.578 4.527 0.002 0.000 0.358 1461 F C 0.955 176.759 175.800 0.005 0.000 1.136 1461 F CA 0.090 58.081 58.000 -0.016 0.000 1.157 1461 F CB 0.093 39.042 39.000 -0.085 0.000 1.167 1461 F HN 0.215 nan 8.300 nan 0.000 0.539 1462 D N 4.145 124.609 120.400 0.106 0.000 2.376 1462 D HA -0.095 4.546 4.640 0.002 0.000 0.278 1462 D C 1.417 177.826 176.300 0.182 0.000 1.384 1462 D CA 0.466 54.532 54.000 0.110 0.000 1.033 1462 D CB 0.358 41.198 40.800 0.066 0.000 1.102 1462 D HN 0.674 nan 8.370 nan 0.000 0.530 1463 E N 1.376 121.665 120.200 0.148 0.000 2.118 1463 E HA -0.188 4.164 4.350 0.002 0.000 0.195 1463 E C 1.076 177.767 176.600 0.151 0.000 0.992 1463 E CA 1.161 57.647 56.400 0.143 0.000 0.804 1463 E CB 0.385 30.133 29.700 0.079 0.000 0.741 1463 E HN 0.318 nan 8.360 nan 0.000 0.458 1464 T N 0.526 115.147 114.554 0.112 0.000 2.737 1464 T HA -0.125 4.226 4.350 0.002 0.000 0.265 1464 T C 1.821 176.585 174.700 0.106 0.000 1.038 1464 T CA 1.236 63.393 62.100 0.095 0.000 1.144 1464 T CB -0.327 68.580 68.868 0.066 0.000 0.866 1464 T HN 0.331 nan 8.240 nan 0.000 0.434 1465 A N 0.860 123.747 122.820 0.112 0.000 1.828 1465 A HA -0.120 4.202 4.320 0.002 0.000 0.215 1465 A C 2.100 179.769 177.584 0.141 0.000 1.203 1465 A CA 1.783 53.882 52.037 0.103 0.000 0.614 1465 A CB -1.385 17.666 19.000 0.085 0.000 0.844 1465 A HN 0.570 nan 8.150 nan 0.000 0.445 1466 Y N 0.051 120.409 120.300 0.096 0.000 2.151 1466 Y HA -0.186 4.366 4.550 0.002 0.000 0.284 1466 Y C 2.061 178.013 175.900 0.086 0.000 1.166 1466 Y CA 1.991 60.165 58.100 0.123 0.000 1.163 1466 Y CB -0.135 38.462 38.460 0.228 0.000 0.974 1466 Y HN 0.230 nan 8.280 nan 0.000 0.511 1467 L N -0.143 121.265 121.223 0.308 0.000 2.313 1467 L HA -0.116 4.225 4.340 0.002 0.000 0.214 1467 L C 2.640 179.577 176.870 0.112 0.000 1.119 1467 L CA 0.940 55.908 54.840 0.212 0.000 0.809 1467 L CB -0.379 41.794 42.059 0.189 0.000 0.933 1467 L HN 0.239 nan 8.230 nan 0.000 0.449 1468 R N 0.680 121.234 120.500 0.090 0.000 2.070 1468 R HA -0.193 4.148 4.340 0.002 0.000 0.227 1468 R C 1.946 178.268 176.300 0.036 0.000 1.147 1468 R CA 1.799 57.938 56.100 0.065 0.000 0.924 1468 R CB -0.290 30.045 30.300 0.057 0.000 0.827 1468 R HN 0.284 nan 8.270 nan 0.000 0.431 1469 E N -0.302 119.897 120.200 -0.002 0.000 2.130 1469 E HA -0.212 4.140 4.350 0.002 0.000 0.196 1469 E C 2.212 178.791 176.600 -0.034 0.000 0.998 1469 E CA 1.010 57.395 56.400 -0.026 0.000 0.806 1469 E CB 0.020 29.676 29.700 -0.074 0.000 0.738 1469 E HN 0.243 nan 8.360 nan 0.000 0.459 1470 R N -0.076 120.364 120.500 -0.099 0.000 2.090 1470 R HA -0.057 4.284 4.340 0.002 0.000 0.228 1470 R C 2.609 178.893 176.300 -0.026 0.000 1.110 1470 R CA 1.693 57.720 56.100 -0.120 0.000 0.973 1470 R CB -1.098 29.105 30.300 -0.162 0.000 0.869 1470 R HN 0.377 nan 8.270 nan 0.000 0.440 1471 T N -1.269 113.303 114.554 0.031 0.000 2.770 1471 T HA -0.059 4.292 4.350 0.002 0.000 0.263 1471 T C 1.658 176.402 174.700 0.072 0.000 1.039 1471 T CA 0.970 63.106 62.100 0.061 0.000 1.142 1471 T CB -0.217 68.767 68.868 0.192 0.000 0.868 1471 T HN 0.263 nan 8.240 nan 0.000 0.435 1472 E N 0.539 120.790 120.200 0.085 0.000 2.130 1472 E HA -0.272 4.080 4.350 0.002 0.000 0.196 1472 E C 2.258 178.907 176.600 0.082 0.000 0.998 1472 E CA 1.472 57.919 56.400 0.079 0.000 0.806 1472 E CB -0.370 29.366 29.700 0.060 0.000 0.738 1472 E HN 0.624 nan 8.360 nan 0.000 0.459 1473 H N 1.279 120.339 119.070 -0.017 0.000 2.321 1473 H HA -0.075 4.483 4.556 0.002 0.000 0.300 1473 H C 1.999 177.329 175.328 0.005 0.000 1.087 1473 H CA 1.414 57.454 56.048 -0.014 0.000 1.319 1473 H CB -0.155 29.586 29.762 -0.035 0.000 1.379 1473 H HN 0.157 nan 8.280 nan 0.000 0.501 1474 I N 0.829 121.563 120.570 0.274 0.000 2.335 1474 I HA -0.221 3.951 4.170 0.002 0.000 0.251 1474 I C 2.532 178.720 176.117 0.119 0.000 1.129 1474 I CA 0.979 62.375 61.300 0.160 0.000 1.402 1474 I CB -0.205 37.625 38.000 -0.284 0.000 1.069 1474 I HN 0.228 nan 8.210 nan 0.000 0.424 1475 E N 1.153 121.396 120.200 0.072 0.000 2.007 1475 E HA -0.186 4.166 4.350 0.002 0.000 0.194 1475 E C 2.243 178.869 176.600 0.043 0.000 0.999 1475 E CA 1.232 57.684 56.400 0.088 0.000 0.811 1475 E CB -0.363 29.392 29.700 0.091 0.000 0.762 1475 E HN 0.429 nan 8.360 nan 0.000 0.450 1476 R N 0.567 121.059 120.500 -0.013 0.000 2.122 1476 R HA -0.226 4.116 4.340 0.002 0.000 0.236 1476 R C 2.395 178.636 176.300 -0.098 0.000 1.129 1476 R CA 1.923 57.981 56.100 -0.070 0.000 0.925 1476 R CB -0.466 29.754 30.300 -0.133 0.000 0.850 1476 R HN 0.096 nan 8.270 nan 0.000 0.431 1477 E N 0.408 120.510 120.200 -0.162 0.000 2.171 1477 E HA -0.206 4.145 4.350 0.002 0.000 0.197 1477 E C 1.665 178.190 176.600 -0.126 0.000 0.997 1477 E CA 1.714 58.020 56.400 -0.156 0.000 0.810 1477 E CB -0.154 29.499 29.700 -0.078 0.000 0.738 1477 E HN 0.415 nan 8.360 nan 0.000 0.467 1478 A N 0.409 123.231 122.820 0.004 0.000 1.840 1478 A HA -0.118 4.203 4.320 0.002 0.000 0.214 1478 A C 2.247 179.808 177.584 -0.037 0.000 1.198 1478 A CA 1.550 53.592 52.037 0.008 0.000 0.608 1478 A CB -0.513 18.596 19.000 0.181 0.000 0.839 1478 A HN 0.208 nan 8.150 nan 0.000 0.443 1479 R N -0.918 119.577 120.500 -0.008 0.000 2.096 1479 R HA -0.178 4.163 4.340 0.002 0.000 0.240 1479 R C 2.567 178.839 176.300 -0.046 0.000 1.139 1479 R CA 1.874 57.965 56.100 -0.015 0.000 0.952 1479 R CB -0.330 29.968 30.300 -0.004 0.000 0.854 1479 R HN 0.530 nan 8.270 nan 0.000 0.436 1480 R N 0.411 120.866 120.500 -0.075 0.000 2.080 1480 R HA -0.232 4.110 4.340 0.002 0.000 0.236 1480 R C 2.294 178.530 176.300 -0.108 0.000 1.137 1480 R CA 1.987 58.032 56.100 -0.092 0.000 0.943 1480 R CB -0.185 30.044 30.300 -0.118 0.000 0.846 1480 R HN 0.098 nan 8.270 nan 0.000 0.431 1481 Q N 0.544 120.251 119.800 -0.155 0.000 2.197 1481 Q HA -0.177 4.164 4.340 0.002 0.000 0.207 1481 Q C 1.701 177.630 176.000 -0.117 0.000 0.984 1481 Q CA 1.678 57.370 55.803 -0.185 0.000 0.869 1481 Q CB -0.012 28.535 28.738 -0.319 0.000 0.906 1481 Q HN 0.345 nan 8.270 nan 0.000 0.426 1482 E N -0.867 119.285 120.200 -0.080 0.000 2.001 1482 E HA -0.205 4.147 4.350 0.002 0.000 0.195 1482 E C 1.833 178.416 176.600 -0.028 0.000 1.002 1482 E CA 1.053 57.429 56.400 -0.039 0.000 0.819 1482 E CB -0.306 29.384 29.700 -0.017 0.000 0.769 1482 E HN 0.425 nan 8.360 nan 0.000 0.454 1483 A N 1.311 124.114 122.820 -0.029 0.000 1.958 1483 A HA -0.286 4.035 4.320 0.002 0.000 0.221 1483 A C 1.925 179.487 177.584 -0.036 0.000 1.178 1483 A CA 2.055 54.077 52.037 -0.024 0.000 0.642 1483 A CB -0.638 18.346 19.000 -0.026 0.000 0.816 1483 A HN 0.315 nan 8.150 nan 0.000 0.453 1484 E N -0.785 119.381 120.200 -0.057 0.000 2.106 1484 E HA -0.044 4.307 4.350 0.002 0.000 0.192 1484 E C 2.278 178.837 176.600 -0.068 0.000 0.984 1484 E CA 0.848 57.204 56.400 -0.074 0.000 0.806 1484 E CB -0.230 29.412 29.700 -0.097 0.000 0.750 1484 E HN 0.648 nan 8.360 nan 0.000 0.458 1485 A N 0.831 123.629 122.820 -0.036 0.000 2.014 1485 A HA -0.186 4.135 4.320 0.002 0.000 0.218 1485 A C 2.011 179.655 177.584 0.099 0.000 1.163 1485 A CA 0.989 53.043 52.037 0.029 0.000 0.652 1485 A CB -0.264 18.782 19.000 0.076 0.000 0.808 1485 A HN 0.166 nan 8.150 nan 0.000 0.449 1486 Q N -0.866 118.964 119.800 0.050 0.000 2.167 1486 Q HA -0.125 4.217 4.340 0.002 0.000 0.202 1486 Q C 1.909 177.931 176.000 0.036 0.000 0.970 1486 Q CA 1.757 57.593 55.803 0.055 0.000 0.855 1486 Q CB -0.130 28.619 28.738 0.018 0.000 0.911 1486 Q HN 0.596 nan 8.270 nan 0.000 0.438 1487 T N -0.070 114.477 114.554 -0.012 0.000 2.770 1487 T HA -0.103 4.249 4.350 0.002 0.000 0.263 1487 T C 1.704 176.365 174.700 -0.066 0.000 1.039 1487 T CA 1.461 63.535 62.100 -0.044 0.000 1.142 1487 T CB -0.144 68.677 68.868 -0.079 0.000 0.868 1487 T HN 0.464 nan 8.240 nan 0.000 0.435 1488 S N -0.215 115.396 115.700 -0.149 0.000 2.607 1488 S HA 0.177 4.648 4.470 0.002 0.000 0.224 1488 S C 1.111 175.448 174.600 -0.438 0.000 0.969 1488 S CA 0.227 58.238 58.200 -0.316 0.000 0.927 1488 S CB -0.498 62.425 63.200 -0.462 0.000 0.772 1488 S HN 0.524 nan 8.310 nan 0.000 0.533 1489 F N -0.059 119.920 119.950 0.049 0.000 2.817 1489 F HA 0.427 4.955 4.527 0.002 0.000 0.333 1489 F C 1.974 177.759 175.800 -0.025 0.000 1.085 1489 F CA -0.219 57.780 58.000 -0.001 0.000 1.170 1489 F CB 0.993 39.948 39.000 -0.074 0.000 1.066 1489 F HN 0.386 nan 8.300 nan 0.000 0.564 1490 G N -0.773 108.164 108.800 0.227 0.000 2.597 1490 G HA2 0.048 4.009 3.960 0.002 0.000 0.196 1490 G HA3 0.048 4.009 3.960 0.002 0.000 0.196 1490 G C 1.009 176.054 174.900 0.241 0.000 1.176 1490 G CA 0.108 45.302 45.100 0.157 0.000 0.747 1490 G HN 0.070 nan 8.290 nan 0.000 0.821 1491 N N 0.622 119.429 118.700 0.178 0.000 2.517 1491 N HA 0.033 4.774 4.740 0.002 0.000 0.202 1491 N C 0.704 176.203 175.510 -0.019 0.000 1.042 1491 N CA 0.520 53.627 53.050 0.095 0.000 0.952 1491 N CB 0.470 38.961 38.487 0.008 0.000 1.211 1491 N HN 0.171 nan 8.380 nan 0.000 0.458 1492 E N 1.021 121.113 120.200 -0.179 0.000 2.585 1492 E HA 0.064 4.415 4.350 0.002 0.000 0.206 1492 E C 0.158 176.437 176.600 -0.534 0.000 1.007 1492 E CA -0.264 55.798 56.400 -0.564 0.000 1.028 1492 E CB -0.085 29.366 29.700 -0.415 0.000 1.087 1492 E HN 0.402 nan 8.360 nan 0.000 0.455 1493 F N -0.494 119.311 119.950 -0.242 0.000 2.722 1493 F HA 0.002 4.530 4.527 0.002 0.000 0.298 1493 F C 1.199 177.012 175.800 0.021 0.000 1.175 1493 F CA -0.165 57.780 58.000 -0.092 0.000 1.462 1493 F CB -0.350 38.695 39.000 0.075 0.000 1.111 1493 F HN 0.139 nan 8.300 nan 0.000 0.592 1494 W N 1.096 122.104 121.300 -0.487 0.000 2.862 1494 W HA 0.383 5.044 4.660 0.002 0.000 0.376 1494 W C 0.280 176.692 176.519 -0.178 0.000 1.028 1494 W CA -0.815 56.325 57.345 -0.342 0.000 1.757 1494 W CB -1.048 28.105 29.460 -0.512 0.000 1.128 1494 W HN -0.024 nan 8.180 nan 0.000 0.566 1495 R N 3.386 123.610 120.500 -0.460 0.000 2.483 1495 R HA -0.027 4.314 4.340 0.002 0.000 0.329 1495 R C 0.950 177.186 176.300 -0.107 0.000 0.961 1495 R CA 0.501 56.396 56.100 -0.342 0.000 1.041 1495 R CB 0.055 30.130 30.300 -0.376 0.000 0.930 1495 R HN 0.199 nan 8.270 nan 0.000 0.413 1496 R N 1.823 122.311 120.500 -0.021 0.000 3.770 1496 R HA -0.193 4.148 4.340 0.002 0.000 0.305 1496 R C -0.840 175.481 176.300 0.035 0.000 1.184 1496 R CA 1.224 57.331 56.100 0.011 0.000 0.823 1496 R CB -1.130 29.158 30.300 -0.020 0.000 1.285 1496 R HN 0.729 nan 8.270 nan 0.000 0.499 1497 D N 0.319 120.763 120.400 0.074 0.000 2.352 1497 D HA 0.076 4.718 4.640 0.002 0.000 0.245 1497 D C 0.974 177.324 176.300 0.083 0.000 1.224 1497 D CA 0.353 54.406 54.000 0.087 0.000 0.879 1497 D CB 1.230 42.110 40.800 0.132 0.000 1.057 1497 D HN 0.114 nan 8.370 nan 0.000 0.491 1498 S N 3.878 119.615 115.700 0.061 0.000 2.465 1498 S HA -0.134 4.337 4.470 0.002 0.000 0.241 1498 S C 1.208 175.842 174.600 0.057 0.000 1.000 1498 S CA 0.952 59.184 58.200 0.053 0.000 0.964 1498 S CB 0.076 63.301 63.200 0.041 0.000 0.763 1498 S HN 0.527 nan 8.310 nan 0.000 0.512 1499 R N -0.002 120.537 120.500 0.065 0.000 2.509 1499 R HA 0.461 4.802 4.340 0.002 0.000 0.300 1499 R C -0.559 175.779 176.300 0.064 0.000 0.985 1499 R CA 0.028 56.164 56.100 0.060 0.000 1.092 1499 R CB 0.422 30.759 30.300 0.060 0.000 1.237 1499 R HN 0.368 nan 8.270 nan 0.000 0.546 1500 I N 1.210 121.823 120.570 0.072 0.000 2.529 1500 I HA 0.271 4.443 4.170 0.002 0.000 0.284 1500 I C -0.418 175.710 176.117 0.019 0.000 1.088 1500 I CA -0.913 60.420 61.300 0.056 0.000 1.062 1500 I CB 1.913 39.982 38.000 0.114 0.000 1.218 1500 I HN 0.020 nan 8.210 nan 0.000 0.442 1501 A N 7.752 130.555 122.820 -0.029 0.000 2.462 1501 A HA 0.368 4.690 4.320 0.002 0.000 0.243 1501 A C -1.740 175.724 177.584 -0.200 0.000 1.076 1501 A CA -0.853 51.146 52.037 -0.062 0.000 0.773 1501 A CB -0.081 18.889 19.000 -0.050 0.000 1.010 1501 A HN 0.537 nan 8.150 nan 0.000 0.493 1502 P HA -0.154 nan 4.420 nan 0.000 0.219 1502 P C 1.425 178.327 177.300 -0.665 0.000 1.146 1502 P CA 0.881 63.665 63.100 -0.527 0.000 0.808 1502 P CB 0.073 31.676 31.700 -0.161 0.000 0.779 1503 L N -1.250 119.753 121.223 -0.367 0.000 1.976 1503 L HA -0.191 4.150 4.340 0.002 0.000 0.209 1503 L C 2.784 179.461 176.870 -0.323 0.000 1.071 1503 L CA 1.570 56.228 54.840 -0.304 0.000 0.746 1503 L CB -0.504 41.443 42.059 -0.186 0.000 0.890 1503 L HN -0.144 nan 8.230 nan 0.000 0.432 1504 R N -0.012 120.328 120.500 -0.267 0.000 2.115 1504 R HA -0.188 4.154 4.340 0.002 0.000 0.239 1504 R C 2.067 178.166 176.300 -0.335 0.000 1.133 1504 R CA 1.671 57.644 56.100 -0.213 0.000 0.935 1504 R CB -1.452 28.768 30.300 -0.135 0.000 0.853 1504 R HN 0.524 nan 8.270 nan 0.000 0.433 1505 G N 0.391 108.788 108.800 -0.671 0.000 2.679 1505 G HA2 -0.325 3.636 3.960 0.002 0.000 0.217 1505 G HA3 -0.325 3.636 3.960 0.002 0.000 0.217 1505 G C 1.530 175.859 174.900 -0.952 0.000 1.267 1505 G CA 1.795 46.127 45.100 -1.280 0.000 0.799 1505 G HN 0.506 nan 8.290 nan 0.000 0.606 1506 A N -0.114 122.102 122.820 -1.007 0.000 2.024 1506 A HA 0.109 4.430 4.320 0.002 0.000 0.220 1506 A C 2.490 180.088 177.584 0.024 0.000 1.164 1506 A CA 1.441 53.335 52.037 -0.238 0.000 0.643 1506 A CB -0.312 18.590 19.000 -0.162 0.000 0.806 1506 A HN 0.396 nan 8.150 nan 0.000 0.451 1507 L N -1.260 119.906 121.223 -0.095 0.000 2.072 1507 L HA -0.113 4.228 4.340 0.002 0.000 0.205 1507 L C 3.075 180.018 176.870 0.122 0.000 1.079 1507 L CA 0.945 55.794 54.840 0.015 0.000 0.752 1507 L CB -0.464 41.557 42.059 -0.063 0.000 0.906 1507 L HN 0.426 nan 8.230 nan 0.000 0.436 1508 A N 0.004 122.881 122.820 0.095 0.000 1.969 1508 A HA -0.213 4.108 4.320 0.002 0.000 0.218 1508 A C 2.353 180.091 177.584 0.256 0.000 1.169 1508 A CA 1.985 54.136 52.037 0.191 0.000 0.635 1508 A CB -0.961 18.189 19.000 0.250 0.000 0.810 1508 A HN 0.524 nan 8.150 nan 0.000 0.445 1509 T N -4.759 109.969 114.554 0.290 0.000 2.946 1509 T HA -0.194 4.157 4.350 0.002 0.000 0.271 1509 T C 1.086 175.640 174.700 -0.242 0.000 1.104 1509 T CA 1.369 63.565 62.100 0.161 0.000 1.114 1509 T CB -0.507 68.441 68.868 0.133 0.000 0.867 1509 T HN 0.648 nan 8.240 nan 0.000 0.513 1510 W N 0.690 122.091 121.300 0.167 0.000 2.870 1510 W HA 0.579 5.241 4.660 0.002 0.000 0.358 1510 W C 1.311 177.966 176.519 0.227 0.000 1.043 1510 W CA -0.325 57.127 57.345 0.180 0.000 1.692 1510 W CB 0.343 29.862 29.460 0.097 0.000 1.100 1510 W HN 0.388 nan 8.180 nan 0.000 0.557 1511 G N 1.677 110.655 108.800 0.297 0.000 2.325 1511 G HA2 -0.197 3.765 3.960 0.002 0.000 0.248 1511 G HA3 -0.197 3.765 3.960 0.002 0.000 0.248 1511 G C -0.822 174.217 174.900 0.232 0.000 1.108 1511 G CA -0.483 44.758 45.100 0.235 0.000 0.881 1511 G HN 0.160 nan 8.290 nan 0.000 0.494 1512 L N -0.139 121.190 121.223 0.178 0.000 2.434 1512 L HA 0.816 5.157 4.340 0.002 0.000 0.260 1512 L C 0.690 177.610 176.870 0.082 0.000 0.983 1512 L CA -0.646 54.270 54.840 0.125 0.000 0.820 1512 L CB 2.410 44.507 42.059 0.063 0.000 1.361 1512 L HN 0.375 nan 8.230 nan 0.000 0.410 1513 T N -2.775 111.822 114.554 0.072 0.000 2.889 1513 T HA 0.511 4.863 4.350 0.002 0.000 0.278 1513 T C 1.172 175.888 174.700 0.026 0.000 0.995 1513 T CA -0.741 61.387 62.100 0.047 0.000 0.966 1513 T CB 0.960 69.865 68.868 0.062 0.000 1.237 1513 T HN 0.451 nan 8.240 nan 0.000 0.591 1514 I N -0.211 120.366 120.570 0.011 0.000 2.567 1514 I HA -0.065 4.106 4.170 0.002 0.000 0.257 1514 I C 1.513 177.643 176.117 0.023 0.000 1.184 1514 I CA 0.984 62.284 61.300 -0.001 0.000 1.451 1514 I CB -0.726 37.267 38.000 -0.011 0.000 1.089 1514 I HN 0.444 nan 8.210 nan 0.000 0.441 1515 D N 1.158 121.588 120.400 0.050 0.000 2.350 1515 D HA -0.116 4.526 4.640 0.002 0.000 0.216 1515 D C 1.446 177.795 176.300 0.082 0.000 0.968 1515 D CA 0.934 54.972 54.000 0.064 0.000 0.894 1515 D CB -0.184 40.697 40.800 0.135 0.000 0.909 1515 D HN 0.466 nan 8.370 nan 0.000 0.520 1516 D N -0.147 120.298 120.400 0.074 0.000 2.350 1516 D HA -0.028 4.613 4.640 0.002 0.000 0.213 1516 D C 0.568 176.901 176.300 0.056 0.000 1.031 1516 D CA -0.194 53.855 54.000 0.082 0.000 0.861 1516 D CB 0.618 41.461 40.800 0.072 0.000 0.926 1516 D HN 0.105 nan 8.370 nan 0.000 0.520 1517 L N 1.839 123.082 121.223 0.034 0.000 2.454 1517 L HA 0.219 4.560 4.340 0.002 0.000 0.284 1517 L C 1.379 178.294 176.870 0.075 0.000 1.139 1517 L CA 0.095 54.954 54.840 0.031 0.000 0.911 1517 L CB 0.611 42.672 42.059 0.004 0.000 1.262 1517 L HN -0.104 nan 8.230 nan 0.000 0.453 1518 G N 3.808 112.673 108.800 0.110 0.000 2.447 1518 G HA2 0.062 4.023 3.960 0.002 0.000 0.211 1518 G HA3 0.062 4.023 3.960 0.002 0.000 0.211 1518 G C 0.218 175.199 174.900 0.135 0.000 1.184 1518 G CA 0.054 45.236 45.100 0.137 0.000 0.813 1518 G HN 0.347 nan 8.290 nan 0.000 0.540 1519 V N 1.186 121.190 119.914 0.149 0.000 2.398 1519 V HA 0.696 4.817 4.120 0.002 0.000 0.286 1519 V C -0.244 175.950 176.094 0.167 0.000 1.026 1519 V CA -0.728 61.654 62.300 0.138 0.000 0.868 1519 V CB 1.337 33.229 31.823 0.115 0.000 0.982 1519 V HN 0.461 nan 8.190 nan 0.000 0.443 1520 A N 3.807 126.726 122.820 0.164 0.000 2.258 1520 A HA 0.679 5.000 4.320 0.002 0.000 0.316 1520 A C 0.019 177.737 177.584 0.222 0.000 1.279 1520 A CA -0.309 51.842 52.037 0.190 0.000 0.876 1520 A CB 1.152 20.310 19.000 0.264 0.000 1.170 1520 A HN 0.689 nan 8.150 nan 0.000 0.520 1521 S N 2.167 117.948 115.700 0.135 0.000 2.452 1521 S HA 0.629 5.100 4.470 0.002 0.000 0.284 1521 S C -0.894 173.768 174.600 0.103 0.000 1.171 1521 S CA -0.217 58.047 58.200 0.106 0.000 1.064 1521 S CB -0.373 62.860 63.200 0.056 0.000 0.967 1521 S HN 0.380 nan 8.310 nan 0.000 0.484 1522 F N 3.776 123.643 119.950 -0.138 0.000 2.421 1522 F HA 0.358 4.886 4.527 0.002 0.000 0.337 1522 F C 1.406 177.315 175.800 0.182 0.000 1.105 1522 F CA -0.764 57.251 58.000 0.025 0.000 1.049 1522 F CB 0.981 39.946 39.000 -0.058 0.000 1.139 1522 F HN 0.754 nan 8.300 nan 0.000 0.479 1523 H N 3.235 122.451 119.070 0.244 0.000 2.265 1523 H HA -0.102 4.455 4.556 0.002 0.000 0.293 1523 H C 1.444 176.926 175.328 0.256 0.000 1.089 1523 H CA 1.462 57.623 56.048 0.189 0.000 1.244 1523 H CB -0.610 29.293 29.762 0.234 0.000 1.355 1523 H HN 0.779 nan 8.280 nan 0.000 0.485 1524 G N 0.055 109.100 108.800 0.408 0.000 2.172 1524 G HA2 -0.257 3.704 3.960 0.002 0.000 0.244 1524 G HA3 -0.257 3.704 3.960 0.002 0.000 0.244 1524 G C 0.704 175.643 174.900 0.064 0.000 0.743 1524 G CA 0.881 46.194 45.100 0.354 0.000 1.146 1524 G HN 0.822 nan 8.290 nan 0.000 0.327 1525 T N -0.947 113.576 114.554 -0.051 0.000 3.163 1525 T HA 0.464 4.816 4.350 0.002 0.000 0.252 1525 T C 1.434 176.174 174.700 0.067 0.000 1.056 1525 T CA 0.964 63.014 62.100 -0.084 0.000 0.947 1525 T CB 0.470 69.258 68.868 -0.132 0.000 1.016 1525 T HN 2.019 nan 8.240 nan 0.000 0.554 1526 S N 0.682 116.399 115.700 0.027 0.000 3.261 1526 S HA -0.218 4.254 4.470 0.002 0.000 0.287 1526 S C 0.601 175.221 174.600 0.033 0.000 1.281 1526 S CA 1.231 59.441 58.200 0.016 0.000 1.053 1526 S CB -2.196 61.036 63.200 0.055 0.000 1.251 1526 S HN 1.211 nan 8.310 nan 0.000 0.659 1527 T N -1.529 113.060 114.554 0.059 0.000 2.824 1527 T HA 0.671 5.022 4.350 0.002 0.000 0.277 1527 T C 1.541 176.242 174.700 0.003 0.000 0.975 1527 T CA -0.153 61.983 62.100 0.059 0.000 0.966 1527 T CB 1.267 70.202 68.868 0.112 0.000 1.054 1527 T HN 0.368 nan 8.240 nan 0.000 0.533 1528 V N 1.374 121.287 119.914 -0.002 0.000 2.255 1528 V HA 0.072 4.194 4.120 0.002 0.000 0.243 1528 V C 3.163 179.239 176.094 -0.030 0.000 1.038 1528 V CA 1.827 64.113 62.300 -0.024 0.000 1.008 1528 V CB -1.739 30.073 31.823 -0.019 0.000 0.645 1528 V HN 1.036 nan 8.190 nan 0.000 0.449 1529 A N 0.529 123.336 122.820 -0.022 0.000 1.930 1529 A HA -0.163 4.158 4.320 0.002 0.000 0.215 1529 A C 2.077 179.630 177.584 -0.051 0.000 1.176 1529 A CA 1.668 53.685 52.037 -0.033 0.000 0.632 1529 A CB -0.902 18.077 19.000 -0.035 0.000 0.819 1529 A HN 0.638 nan 8.150 nan 0.000 0.445 1530 N N 0.319 118.989 118.700 -0.049 0.000 2.149 1530 N HA -0.195 4.547 4.740 0.002 0.000 0.188 1530 N C 1.061 176.552 175.510 -0.031 0.000 1.019 1530 N CA 1.992 54.996 53.050 -0.076 0.000 0.857 1530 N CB -0.139 38.348 38.487 0.001 0.000 0.997 1530 N HN 0.436 nan 8.380 nan 0.000 0.426 1531 D N -0.149 120.251 120.400 -0.000 0.000 2.162 1531 D HA -0.120 4.521 4.640 0.002 0.000 0.203 1531 D C 1.579 177.878 176.300 -0.002 0.000 0.967 1531 D CA 0.676 54.692 54.000 0.028 0.000 0.840 1531 D CB -0.233 40.514 40.800 -0.089 0.000 0.972 1531 D HN 0.440 nan 8.370 nan 0.000 0.482 1532 K N 0.806 121.180 120.400 -0.043 0.000 2.211 1532 K HA -0.150 4.171 4.320 0.002 0.000 0.203 1532 K C 1.728 178.395 176.600 0.111 0.000 1.050 1532 K CA 0.970 57.242 56.287 -0.024 0.000 0.945 1532 K CB 0.149 32.647 32.500 -0.004 0.000 0.732 1532 K HN -0.095 nan 8.250 nan 0.000 0.451 1533 N N 0.706 119.435 118.700 0.049 0.000 2.278 1533 N HA -0.092 4.649 4.740 0.002 0.000 0.181 1533 N C 1.508 177.055 175.510 0.062 0.000 1.023 1533 N CA 0.996 54.061 53.050 0.026 0.000 0.862 1533 N CB 0.149 38.556 38.487 -0.132 0.000 1.003 1533 N HN 0.178 nan 8.380 nan 0.000 0.431 1534 E N -0.006 120.207 120.200 0.022 0.000 2.049 1534 E HA -0.184 4.167 4.350 0.002 0.000 0.198 1534 E C 1.822 178.697 176.600 0.458 0.000 1.007 1534 E CA 1.462 57.975 56.400 0.189 0.000 0.809 1534 E CB -0.146 29.773 29.700 0.365 0.000 0.749 1534 E HN 0.350 nan 8.360 nan 0.000 0.450 1535 S N 0.887 116.982 115.700 0.659 0.000 2.359 1535 S HA -0.219 4.252 4.470 0.002 0.000 0.223 1535 S C 1.637 176.698 174.600 0.768 0.000 1.039 1535 S CA 1.473 60.149 58.200 0.793 0.000 1.042 1535 S CB -0.441 62.926 63.200 0.277 0.000 0.915 1535 S HN 0.324 nan 8.310 nan 0.000 0.439 1536 D N 1.189 122.053 120.400 0.773 0.000 2.103 1536 D HA -0.118 4.524 4.640 0.002 0.000 0.190 1536 D C 1.986 178.391 176.300 0.174 0.000 0.997 1536 D CA 1.337 55.579 54.000 0.404 0.000 0.833 1536 D CB -0.507 40.460 40.800 0.279 0.000 0.961 1536 D HN 0.209 nan 8.370 nan 0.000 0.447 1537 V N 1.258 121.279 119.914 0.178 0.000 2.231 1537 V HA -0.251 3.870 4.120 0.002 0.000 0.248 1537 V C 2.812 178.952 176.094 0.078 0.000 1.054 1537 V CA 1.608 63.978 62.300 0.117 0.000 1.015 1537 V CB -0.470 31.468 31.823 0.190 0.000 0.638 1537 V HN 0.297 nan 8.190 nan 0.000 0.444 1538 I N -0.993 119.642 120.570 0.109 0.000 2.335 1538 I HA -0.323 3.849 4.170 0.002 0.000 0.251 1538 I C 2.554 178.711 176.117 0.066 0.000 1.129 1538 I CA 1.463 62.799 61.300 0.059 0.000 1.402 1538 I CB -0.209 37.814 38.000 0.038 0.000 1.069 1538 I HN 0.490 nan 8.210 nan 0.000 0.424 1539 C N 0.438 119.805 119.300 0.112 0.000 2.548 1539 C HA -0.181 4.280 4.460 0.002 0.000 0.284 1539 C C 2.809 177.688 174.990 -0.184 0.000 1.252 1539 C CA 0.997 60.009 59.018 -0.010 0.000 1.725 1539 C CB -0.968 26.769 27.740 -0.006 0.000 2.098 1539 C HN 0.479 nan 8.230 nan 0.000 0.471 1540 Q N -0.142 119.572 119.800 -0.144 0.000 2.118 1540 Q HA -0.333 4.008 4.340 0.002 0.000 0.211 1540 Q C 2.207 178.135 176.000 -0.121 0.000 0.998 1540 Q CA 2.229 57.945 55.803 -0.145 0.000 0.872 1540 Q CB -0.415 28.263 28.738 -0.100 0.000 0.925 1540 Q HN 0.748 nan 8.270 nan 0.000 0.414 1541 Q N 0.263 120.011 119.800 -0.087 0.000 1.985 1541 Q HA -0.191 4.151 4.340 0.002 0.000 0.207 1541 Q C 2.331 178.272 176.000 -0.099 0.000 0.996 1541 Q CA 1.420 57.184 55.803 -0.064 0.000 0.851 1541 Q CB -0.309 28.395 28.738 -0.058 0.000 0.921 1541 Q HN 0.411 nan 8.270 nan 0.000 0.418 1542 L N 0.797 121.926 121.223 -0.156 0.000 2.013 1542 L HA -0.278 4.064 4.340 0.002 0.000 0.212 1542 L C 2.692 179.366 176.870 -0.326 0.000 1.073 1542 L CA 1.657 56.376 54.840 -0.201 0.000 0.753 1542 L CB -0.632 41.314 42.059 -0.189 0.000 0.890 1542 L HN 0.308 nan 8.230 nan 0.000 0.432 1543 K N 0.085 120.149 120.400 -0.559 0.000 1.978 1543 K HA -0.298 4.024 4.320 0.002 0.000 0.214 1543 K C 2.095 178.604 176.600 -0.152 0.000 1.049 1543 K CA 2.112 58.115 56.287 -0.473 0.000 0.939 1543 K CB -0.371 31.857 32.500 -0.454 0.000 0.721 1543 K HN 0.296 nan 8.250 nan 0.000 0.441 1544 H N 0.089 119.054 119.070 -0.176 0.000 2.567 1544 H HA 0.056 4.613 4.556 0.002 0.000 0.276 1544 H C 1.374 176.654 175.328 -0.080 0.000 1.016 1544 H CA 0.727 56.712 56.048 -0.105 0.000 1.186 1544 H CB 0.083 29.789 29.762 -0.092 0.000 1.351 1544 H HN 0.224 nan 8.280 nan 0.000 0.605 1545 L N -1.618 119.532 121.223 -0.122 0.000 2.513 1545 L HA 0.250 4.591 4.340 0.002 0.000 0.222 1545 L C 1.499 178.303 176.870 -0.111 0.000 1.096 1545 L CA 0.706 55.466 54.840 -0.132 0.000 0.857 1545 L CB 0.466 42.480 42.059 -0.075 0.000 1.026 1545 L HN 0.598 nan 8.230 nan 0.000 0.469 1546 G N 0.736 109.485 108.800 -0.084 0.000 2.175 1546 G HA2 -0.242 3.720 3.960 0.002 0.000 0.182 1546 G HA3 -0.242 3.720 3.960 0.002 0.000 0.182 1546 G C 0.300 175.223 174.900 0.037 0.000 1.003 1546 G CA -0.249 44.833 45.100 -0.031 0.000 0.666 1546 G HN 0.232 nan 8.290 nan 0.000 0.506 1547 R N 1.779 122.309 120.500 0.052 0.000 2.504 1547 R HA 0.248 4.589 4.340 0.002 0.000 0.302 1547 R C 0.626 177.032 176.300 0.177 0.000 0.893 1547 R CA 1.079 57.255 56.100 0.127 0.000 1.138 1547 R CB -0.347 30.074 30.300 0.201 0.000 0.880 1547 R HN 0.141 nan 8.270 nan 0.000 0.415 1548 T N 6.297 120.902 114.554 0.085 0.000 2.822 1548 T HA -0.054 4.298 4.350 0.002 0.000 0.288 1548 T C 0.241 174.911 174.700 -0.049 0.000 0.991 1548 T CA 0.190 62.333 62.100 0.073 0.000 1.176 1548 T CB 0.135 69.112 68.868 0.181 0.000 0.951 1548 T HN 0.436 nan 8.240 nan 0.000 0.526 1549 K N 2.204 122.591 120.400 -0.022 0.000 2.447 1549 K HA 0.288 4.610 4.320 0.002 0.000 0.281 1549 K C 1.326 177.824 176.600 -0.170 0.000 1.031 1549 K CA 0.853 57.033 56.287 -0.178 0.000 1.019 1549 K CB -0.129 32.321 32.500 -0.082 0.000 0.918 1549 K HN 0.850 nan 8.250 nan 0.000 0.476 1550 G N 2.915 111.545 108.800 -0.284 0.000 2.238 1550 G HA2 -0.255 3.706 3.960 0.002 0.000 0.217 1550 G HA3 -0.255 3.706 3.960 0.002 0.000 0.217 1550 G C -0.166 174.623 174.900 -0.185 0.000 0.996 1550 G CA -0.007 45.033 45.100 -0.100 0.000 0.632 1550 G HN 0.663 nan 8.290 nan 0.000 0.503 1551 N N 1.631 119.967 118.700 -0.607 0.000 2.521 1551 N HA 0.652 5.393 4.740 0.002 0.000 0.236 1551 N C 0.375 175.695 175.510 -0.317 0.000 1.067 1551 N CA 0.787 53.283 53.050 -0.923 0.000 0.939 1551 N CB 0.483 37.900 38.487 -1.783 0.000 1.201 1551 N HN 0.792 nan 8.380 nan 0.000 0.511 1552 A N 2.255 125.090 122.820 0.025 0.000 2.264 1552 A HA 0.611 4.932 4.320 0.002 0.000 0.304 1552 A C -0.212 177.427 177.584 0.092 0.000 1.100 1552 A CA -0.651 51.406 52.037 0.033 0.000 0.839 1552 A CB 0.615 19.556 19.000 -0.098 0.000 1.121 1552 A HN 0.537 nan 8.150 nan 0.000 0.496 1553 V N -0.464 119.487 119.914 0.063 0.000 2.435 1553 V HA 0.518 4.639 4.120 0.002 0.000 0.290 1553 V C -0.016 176.094 176.094 0.027 0.000 1.030 1553 V CA -0.826 61.522 62.300 0.081 0.000 0.881 1553 V CB 0.898 32.788 31.823 0.113 0.000 0.983 1553 V HN 0.703 nan 8.190 nan 0.000 0.445 1554 L N 4.474 125.730 121.223 0.055 0.000 2.418 1554 L HA 0.426 4.767 4.340 0.002 0.000 0.274 1554 L C 1.022 177.879 176.870 -0.022 0.000 1.135 1554 L CA 0.485 55.331 54.840 0.009 0.000 0.870 1554 L CB 0.731 42.817 42.059 0.045 0.000 1.154 1554 L HN 1.007 nan 8.230 nan 0.000 0.462 1555 G N 5.357 114.080 108.800 -0.129 0.000 2.319 1555 G HA2 0.482 4.443 3.960 0.002 0.000 0.308 1555 G HA3 0.482 4.443 3.960 0.002 0.000 0.308 1555 G C -0.384 174.297 174.900 -0.366 0.000 1.117 1555 G CA -0.492 44.433 45.100 -0.293 0.000 0.903 1555 G HN 0.301 nan 8.290 nan 0.000 0.436 1556 I N 2.162 122.516 120.570 -0.359 0.000 2.392 1556 I HA 0.445 4.616 4.170 0.002 0.000 0.295 1556 I C -0.746 175.080 176.117 -0.485 0.000 0.985 1556 I CA -1.683 59.473 61.300 -0.240 0.000 1.221 1556 I CB 1.189 39.171 38.000 -0.031 0.000 1.366 1556 I HN 0.342 nan 8.210 nan 0.000 0.467 1557 F N 4.447 124.521 119.950 0.207 0.000 2.686 1557 F HA 0.308 4.836 4.527 0.002 0.000 0.365 1557 F C 1.302 177.235 175.800 0.222 0.000 1.196 1557 F CA -0.469 57.657 58.000 0.212 0.000 1.198 1557 F CB 0.636 39.740 39.000 0.172 0.000 1.454 1557 F HN 0.488 nan 8.300 nan 0.000 0.539 1558 Q N 1.224 121.165 119.800 0.235 0.000 2.500 1558 Q HA -0.104 4.237 4.340 0.002 0.000 0.213 1558 Q C 1.581 177.599 176.000 0.029 0.000 0.974 1558 Q CA 0.966 56.819 55.803 0.084 0.000 0.918 1558 Q CB 0.294 29.090 28.738 0.096 0.000 0.980 1558 Q HN 0.333 nan 8.270 nan 0.000 0.505 1559 K N -0.170 120.313 120.400 0.139 0.000 2.288 1559 K HA -0.142 4.180 4.320 0.002 0.000 0.201 1559 K C 1.733 178.406 176.600 0.123 0.000 1.048 1559 K CA 0.833 57.189 56.287 0.116 0.000 0.956 1559 K CB -0.389 32.162 32.500 0.086 0.000 0.746 1559 K HN 0.494 nan 8.250 nan 0.000 0.461 1560 Y N -0.445 119.934 120.300 0.132 0.000 2.207 1560 Y HA -0.095 4.456 4.550 0.002 0.000 0.287 1560 Y C 1.881 177.858 175.900 0.129 0.000 1.156 1560 Y CA 0.983 59.142 58.100 0.099 0.000 1.182 1560 Y CB -0.608 37.892 38.460 0.066 0.000 0.979 1560 Y HN -0.071 nan 8.280 nan 0.000 0.521 1561 L N 0.157 121.041 121.223 -0.566 0.000 2.221 1561 L HA -0.022 4.319 4.340 0.002 0.000 0.202 1561 L C 2.138 179.099 176.870 0.152 0.000 1.074 1561 L CA 1.723 56.353 54.840 -0.351 0.000 0.795 1561 L CB -0.252 41.345 42.059 -0.771 0.000 0.960 1561 L HN 0.560 nan 8.230 nan 0.000 0.458 1562 T N -3.894 110.731 114.554 0.119 0.000 3.023 1562 T HA 0.353 4.705 4.350 0.002 0.000 0.253 1562 T C 1.025 175.908 174.700 0.306 0.000 1.038 1562 T CA 0.377 62.644 62.100 0.278 0.000 0.962 1562 T CB 0.494 69.545 68.868 0.305 0.000 1.018 1562 T HN 0.486 nan 8.240 nan 0.000 0.521 1563 G N 1.525 110.459 108.800 0.223 0.000 2.645 1563 G HA2 -0.194 3.767 3.960 0.002 0.000 0.239 1563 G HA3 -0.194 3.767 3.960 0.002 0.000 0.239 1563 G C -0.666 174.381 174.900 0.245 0.000 1.331 1563 G CA -0.028 45.203 45.100 0.218 0.000 0.890 1563 G HN 0.907 nan 8.290 nan 0.000 0.572 1564 H N 1.565 120.685 119.070 0.082 0.000 2.786 1564 H HA 0.562 5.119 4.556 0.002 0.000 0.284 1564 H C -2.417 172.848 175.328 -0.106 0.000 1.104 1564 H CA -2.475 53.530 56.048 -0.072 0.000 1.339 1564 H CB 1.259 30.867 29.762 -0.256 0.000 1.427 1564 H HN 0.242 nan 8.280 nan 0.000 0.497 1565 P HA 0.067 nan 4.420 nan 0.000 0.264 1565 P C 0.620 177.935 177.300 0.024 0.000 1.537 1565 P CA -0.079 62.968 63.100 -0.089 0.000 1.189 1565 P CB 0.117 31.421 31.700 -0.659 0.000 1.687 1566 K N 1.755 122.116 120.400 -0.064 0.000 2.413 1566 K HA -0.313 4.008 4.320 0.002 0.000 0.205 1566 K C 1.917 178.553 176.600 0.061 0.000 0.830 1566 K CA 2.470 58.670 56.287 -0.145 0.000 0.991 1566 K CB -1.499 31.020 32.500 0.031 0.000 1.171 1566 K HN 0.518 nan 8.250 nan 0.000 0.553 1567 G N -0.969 107.837 108.800 0.011 0.000 2.724 1567 G HA2 0.231 4.193 3.960 0.002 0.000 0.205 1567 G HA3 0.231 4.193 3.960 0.002 0.000 0.205 1567 G C 0.836 175.676 174.900 -0.099 0.000 1.112 1567 G CA 0.313 45.395 45.100 -0.029 0.000 0.793 1567 G HN 0.407 nan 8.290 nan 0.000 0.526 1568 A N 0.935 123.647 122.820 -0.179 0.000 2.840 1568 A HA 0.730 5.051 4.320 0.002 0.000 0.269 1568 A C 1.923 179.228 177.584 -0.464 0.000 1.439 1568 A CA 0.885 52.750 52.037 -0.286 0.000 1.083 1568 A CB -0.505 18.313 19.000 -0.303 0.000 1.019 1568 A HN 0.471 nan 8.150 nan 0.000 0.607 1569 A N 0.367 123.030 122.820 -0.261 0.000 1.825 1569 A HA 0.179 4.501 4.320 0.002 0.000 0.214 1569 A C 2.318 179.833 177.584 -0.116 0.000 1.206 1569 A CA 1.602 53.497 52.037 -0.235 0.000 0.609 1569 A CB -1.352 17.579 19.000 -0.116 0.000 0.851 1569 A HN 0.868 nan 8.150 nan 0.000 0.445 1570 G N -0.461 108.313 108.800 -0.044 0.000 2.475 1570 G HA2 -0.062 3.899 3.960 0.002 0.000 0.220 1570 G HA3 -0.062 3.899 3.960 0.002 0.000 0.220 1570 G C 1.677 176.601 174.900 0.039 0.000 1.125 1570 G CA 1.701 46.805 45.100 0.007 0.000 0.755 1570 G HN 0.873 nan 8.290 nan 0.000 0.565 1571 A N 0.085 122.913 122.820 0.013 0.000 1.940 1571 A HA -0.058 4.264 4.320 0.002 0.000 0.219 1571 A C 2.181 179.917 177.584 0.252 0.000 1.176 1571 A CA 1.663 53.758 52.037 0.097 0.000 0.631 1571 A CB -0.543 18.507 19.000 0.083 0.000 0.814 1571 A HN 0.466 nan 8.150 nan 0.000 0.446 1572 W N -0.438 120.876 121.300 0.023 0.000 2.409 1572 W HA 0.022 4.683 4.660 0.002 0.000 0.299 1572 W C 2.436 178.955 176.519 0.000 0.000 1.203 1572 W CA 0.830 58.184 57.345 0.017 0.000 1.298 1572 W CB -1.138 28.339 29.460 0.028 0.000 1.127 1572 W HN 0.294 nan 8.180 nan 0.000 0.528 1573 M N -0.465 119.274 119.600 0.231 0.000 2.117 1573 M HA -0.185 4.296 4.480 0.002 0.000 0.262 1573 M C 2.164 178.485 176.300 0.034 0.000 1.065 1573 M CA 1.398 56.770 55.300 0.120 0.000 1.114 1573 M CB -1.032 31.631 32.600 0.105 0.000 1.361 1573 M HN -0.108 nan 8.290 nan 0.000 0.408 1574 L N 0.976 122.228 121.223 0.049 0.000 2.083 1574 L HA -0.196 4.146 4.340 0.002 0.000 0.209 1574 L C 1.872 178.697 176.870 -0.074 0.000 1.083 1574 L CA 1.764 56.609 54.840 0.009 0.000 0.752 1574 L CB -0.567 41.532 42.059 0.066 0.000 0.899 1574 L HN 0.264 nan 8.230 nan 0.000 0.433 1575 N N -0.311 118.373 118.700 -0.027 0.000 2.188 1575 N HA -0.087 4.654 4.740 0.002 0.000 0.184 1575 N C 1.810 177.234 175.510 -0.144 0.000 1.018 1575 N CA 1.200 54.198 53.050 -0.087 0.000 0.858 1575 N CB -0.906 37.562 38.487 -0.032 0.000 0.989 1575 N HN 0.433 nan 8.380 nan 0.000 0.426 1576 G N 0.602 109.359 108.800 -0.073 0.000 2.459 1576 G HA2 -0.273 3.689 3.960 0.002 0.000 0.217 1576 G HA3 -0.273 3.689 3.960 0.002 0.000 0.217 1576 G C 1.747 176.529 174.900 -0.197 0.000 1.183 1576 G CA 1.200 46.276 45.100 -0.040 0.000 0.776 1576 G HN 0.384 nan 8.290 nan 0.000 0.552 1577 C N 0.570 119.647 119.300 -0.372 0.000 2.442 1577 C HA 0.052 4.513 4.460 0.002 0.000 0.279 1577 C C 2.864 177.490 174.990 -0.606 0.000 1.237 1577 C CA 0.571 59.153 59.018 -0.727 0.000 1.722 1577 C CB -1.272 25.408 27.740 -1.767 0.000 2.056 1577 C HN 0.419 nan 8.230 nan 0.000 0.469 1578 L N 0.483 121.427 121.223 -0.466 0.000 2.197 1578 L HA -0.278 4.064 4.340 0.002 0.000 0.215 1578 L C 2.603 179.343 176.870 -0.217 0.000 1.095 1578 L CA 1.619 56.335 54.840 -0.206 0.000 0.764 1578 L CB -0.886 41.123 42.059 -0.085 0.000 0.897 1578 L HN 0.559 nan 8.230 nan 0.000 0.436 1579 Q N -0.800 118.757 119.800 -0.405 0.000 2.123 1579 Q HA -0.091 4.251 4.340 0.002 0.000 0.196 1579 Q C 2.399 178.014 176.000 -0.643 0.000 0.958 1579 Q CA 0.823 56.196 55.803 -0.717 0.000 0.841 1579 Q CB 0.157 28.092 28.738 -1.340 0.000 0.915 1579 Q HN 0.273 nan 8.270 nan 0.000 0.455 1580 V N 1.016 120.686 119.914 -0.408 0.000 2.343 1580 V HA -0.273 3.848 4.120 0.002 0.000 0.247 1580 V C 2.172 178.238 176.094 -0.047 0.000 1.051 1580 V CA 1.461 63.708 62.300 -0.089 0.000 1.036 1580 V CB -0.484 31.338 31.823 -0.001 0.000 0.654 1580 V HN 0.418 nan 8.190 nan 0.000 0.451 1581 L N 0.223 121.387 121.223 -0.097 0.000 2.043 1581 L HA -0.249 4.093 4.340 0.002 0.000 0.212 1581 L C 2.118 178.953 176.870 -0.058 0.000 1.075 1581 L CA 1.978 56.795 54.840 -0.039 0.000 0.752 1581 L CB -0.554 41.450 42.059 -0.092 0.000 0.891 1581 L HN 0.479 nan 8.230 nan 0.000 0.432 1582 N N -1.125 117.515 118.700 -0.099 0.000 2.276 1582 N HA -0.044 4.697 4.740 0.002 0.000 0.212 1582 N C 0.957 176.485 175.510 0.030 0.000 1.127 1582 N CA 0.916 53.936 53.050 -0.050 0.000 0.834 1582 N CB 0.409 38.840 38.487 -0.093 0.000 1.014 1582 N HN 0.435 nan 8.380 nan 0.000 0.491 1583 T N -5.935 108.662 114.554 0.071 0.000 3.074 1583 T HA 0.221 4.572 4.350 0.002 0.000 0.258 1583 T C 1.205 176.010 174.700 0.175 0.000 0.891 1583 T CA 0.774 62.968 62.100 0.155 0.000 0.867 1583 T CB 0.280 69.296 68.868 0.247 0.000 1.261 1583 T HN 0.018 nan 8.240 nan 0.000 0.537 1584 G N 2.159 111.054 108.800 0.159 0.000 2.184 1584 G HA2 -0.203 3.758 3.960 0.002 0.000 0.264 1584 G HA3 -0.203 3.758 3.960 0.002 0.000 0.264 1584 G C 0.043 174.994 174.900 0.085 0.000 0.975 1584 G CA 0.280 45.467 45.100 0.144 0.000 0.642 1584 G HN 0.750 nan 8.290 nan 0.000 0.536 1585 I N 1.528 122.181 120.570 0.140 0.000 2.291 1585 I HA 0.333 4.504 4.170 0.002 0.000 0.292 1585 I C 0.426 176.619 176.117 0.126 0.000 1.064 1585 I CA -0.756 60.595 61.300 0.085 0.000 1.269 1585 I CB 1.426 39.504 38.000 0.129 0.000 1.418 1585 I HN -0.145 nan 8.210 nan 0.000 0.485 1586 V N 9.053 128.975 119.914 0.013 0.000 2.353 1586 V HA 0.214 4.335 4.120 0.002 0.000 0.264 1586 V C -2.122 173.962 176.094 -0.016 0.000 1.049 1586 V CA -1.692 60.627 62.300 0.031 0.000 0.896 1586 V CB 0.605 32.429 31.823 0.002 0.000 1.025 1586 V HN 0.561 nan 8.190 nan 0.000 0.475 1587 P HA 0.230 nan 4.420 nan 0.000 0.276 1587 P C 0.568 177.869 177.300 0.002 0.000 1.243 1587 P CA 0.288 63.345 63.100 -0.071 0.000 0.768 1587 P CB 0.846 32.488 31.700 -0.097 0.000 0.856 1588 G N 2.535 111.311 108.800 -0.039 0.000 2.611 1588 G HA2 0.138 4.100 3.960 0.002 0.000 0.273 1588 G HA3 0.138 4.100 3.960 0.002 0.000 0.273 1588 G C -0.312 174.577 174.900 -0.018 0.000 1.305 1588 G CA -0.228 44.858 45.100 -0.023 0.000 1.010 1588 G HN 0.557 nan 8.290 nan 0.000 0.509 1589 N N -1.203 117.421 118.700 -0.125 0.000 2.626 1589 N HA 0.163 4.904 4.740 0.002 0.000 0.249 1589 N C 1.223 176.346 175.510 -0.646 0.000 1.021 1589 N CA -0.666 52.122 53.050 -0.436 0.000 0.886 1589 N CB 1.035 39.519 38.487 -0.006 0.000 1.149 1589 N HN 0.462 nan 8.380 nan 0.000 0.517 1590 R N 2.277 122.173 120.500 -1.007 0.000 2.115 1590 R HA -0.000 4.341 4.340 0.002 0.000 0.230 1590 R C 0.427 176.492 176.300 -0.392 0.000 1.111 1590 R CA 1.171 56.951 56.100 -0.534 0.000 0.976 1590 R CB -0.181 29.896 30.300 -0.371 0.000 0.870 1590 R HN 0.601 nan 8.270 nan 0.000 0.445 1591 N N 0.862 119.297 118.700 -0.443 0.000 2.370 1591 N HA 0.063 4.804 4.740 0.002 0.000 0.198 1591 N C 0.132 175.541 175.510 -0.169 0.000 1.156 1591 N CA -0.215 52.715 53.050 -0.198 0.000 0.839 1591 N CB 0.502 38.953 38.487 -0.060 0.000 0.989 1591 N HN 0.154 nan 8.380 nan 0.000 0.468 1592 A N 0.875 123.579 122.820 -0.194 0.000 2.711 1592 A HA -0.041 4.280 4.320 0.002 0.000 0.242 1592 A C 0.969 178.531 177.584 -0.035 0.000 1.607 1592 A CA -0.073 51.902 52.037 -0.104 0.000 1.370 1592 A CB -0.406 18.587 19.000 -0.012 0.000 0.934 1592 A HN 0.159 nan 8.150 nan 0.000 0.628 1593 D N 0.966 121.312 120.400 -0.090 0.000 3.134 1593 D HA -0.271 4.370 4.640 0.002 0.000 0.482 1593 D C 0.590 176.864 176.300 -0.044 0.000 1.049 1593 D CA 2.467 56.413 54.000 -0.091 0.000 1.379 1593 D CB -0.040 40.762 40.800 0.003 0.000 0.865 1593 D HN 0.740 nan 8.370 nan 0.000 0.499 1594 N N -1.433 117.301 118.700 0.056 0.000 2.812 1594 N HA 0.196 4.937 4.740 0.002 0.000 0.262 1594 N C -1.732 173.747 175.510 -0.053 0.000 1.241 1594 N CA -0.366 52.755 53.050 0.119 0.000 0.854 1594 N CB 1.185 39.786 38.487 0.191 0.000 1.506 1594 N HN -0.100 nan 8.380 nan 0.000 0.576 1595 V N 1.957 121.726 119.914 -0.241 0.000 2.673 1595 V HA 0.026 4.147 4.120 0.002 0.000 0.303 1595 V C 0.786 176.783 176.094 -0.162 0.000 1.046 1595 V CA 0.033 62.127 62.300 -0.343 0.000 1.126 1595 V CB 0.430 31.889 31.823 -0.606 0.000 0.934 1595 V HN 0.692 nan 8.190 nan 0.000 0.487 1596 D N 4.411 124.723 120.400 -0.148 0.000 2.533 1596 D HA -0.038 4.603 4.640 0.002 0.000 0.236 1596 D C 1.247 177.594 176.300 0.078 0.000 1.137 1596 D CA 0.130 54.100 54.000 -0.051 0.000 0.867 1596 D CB 0.757 41.486 40.800 -0.117 0.000 1.170 1596 D HN 0.426 nan 8.370 nan 0.000 0.474 1597 K N 2.766 123.238 120.400 0.119 0.000 2.286 1597 K HA -0.096 4.226 4.320 0.002 0.000 0.203 1597 K C 1.779 178.375 176.600 -0.006 0.000 1.045 1597 K CA 0.581 56.944 56.287 0.128 0.000 0.935 1597 K CB -0.145 32.407 32.500 0.085 0.000 0.737 1597 K HN 0.362 nan 8.250 nan 0.000 0.460 1598 V N 1.278 121.183 119.914 -0.014 0.000 2.490 1598 V HA -0.211 3.910 4.120 0.002 0.000 0.250 1598 V C 2.174 178.237 176.094 -0.052 0.000 1.061 1598 V CA 1.242 63.531 62.300 -0.018 0.000 1.064 1598 V CB -0.447 31.363 31.823 -0.021 0.000 0.670 1598 V HN 0.284 nan 8.190 nan 0.000 0.461 1599 M N -0.318 119.194 119.600 -0.147 0.000 2.630 1599 M HA -0.065 4.416 4.480 0.002 0.000 0.254 1599 M C 2.016 178.289 176.300 -0.045 0.000 1.092 1599 M CA 1.009 56.156 55.300 -0.255 0.000 1.087 1599 M CB -1.057 31.401 32.600 -0.235 0.000 1.453 1599 M HN 0.554 nan 8.290 nan 0.000 0.509 1600 E N 1.131 121.127 120.200 -0.341 0.000 2.106 1600 E HA -0.200 4.151 4.350 0.002 0.000 0.192 1600 E C 1.696 178.174 176.600 -0.203 0.000 0.984 1600 E CA 0.997 56.919 56.400 -0.797 0.000 0.806 1600 E CB 0.074 29.024 29.700 -1.250 0.000 0.750 1600 E HN 0.582 nan 8.360 nan 0.000 0.458 1601 Q N -0.428 119.417 119.800 0.075 0.000 2.325 1601 Q HA -0.158 4.183 4.340 0.002 0.000 0.211 1601 Q C 0.079 176.183 176.000 0.173 0.000 0.988 1601 Q CA 0.825 56.710 55.803 0.138 0.000 0.887 1601 Q CB -0.269 28.568 28.738 0.166 0.000 0.915 1601 Q HN 0.340 nan 8.270 nan 0.000 0.440 1602 F N 1.642 121.593 119.950 0.001 0.000 2.425 1602 F HA 0.107 4.636 4.527 0.002 0.000 0.354 1602 F C 0.752 176.598 175.800 0.077 0.000 1.162 1602 F CA -1.089 56.967 58.000 0.092 0.000 1.250 1602 F CB 0.454 39.548 39.000 0.157 0.000 1.579 1602 F HN -0.054 nan 8.300 nan 0.000 0.589 1603 D N 1.177 121.694 120.400 0.194 0.000 2.133 1603 D HA -0.282 4.359 4.640 0.002 0.000 0.192 1603 D C 1.601 177.888 176.300 -0.022 0.000 1.001 1603 D CA 2.066 56.079 54.000 0.022 0.000 0.844 1603 D CB -0.259 40.468 40.800 -0.122 0.000 0.944 1603 D HN 0.541 nan 8.370 nan 0.000 0.447 1604 Y N 0.327 120.632 120.300 0.009 0.000 2.583 1604 Y HA 0.163 4.715 4.550 0.002 0.000 0.293 1604 Y C 1.156 177.040 175.900 -0.027 0.000 1.157 1604 Y CA -0.222 57.871 58.100 -0.012 0.000 1.315 1604 Y CB 0.171 38.632 38.460 0.001 0.000 1.021 1604 Y HN -0.133 nan 8.280 nan 0.000 0.536 1605 I N 0.063 120.683 120.570 0.083 0.000 2.441 1605 I HA 0.410 4.582 4.170 0.002 0.000 0.295 1605 I C -0.901 174.969 176.117 -0.411 0.000 0.994 1605 I CA -1.000 60.218 61.300 -0.137 0.000 1.144 1605 I CB 2.195 40.113 38.000 -0.136 0.000 1.314 1605 I HN -0.355 nan 8.210 nan 0.000 0.445 1606 V N 6.568 126.179 119.914 -0.506 0.000 2.709 1606 V HA 0.434 4.555 4.120 0.002 0.000 0.308 1606 V C -1.446 174.347 176.094 -0.502 0.000 1.062 1606 V CA -0.440 61.554 62.300 -0.509 0.000 0.901 1606 V CB 2.196 33.785 31.823 -0.390 0.000 1.003 1606 V HN 0.481 nan 8.190 nan 0.000 0.425 1607 Y N 6.264 126.522 120.300 -0.070 0.000 2.593 1607 Y HA 0.492 5.043 4.550 0.002 0.000 0.331 1607 Y C -2.265 173.647 175.900 0.021 0.000 0.986 1607 Y CA -3.078 55.017 58.100 -0.008 0.000 1.262 1607 Y CB 0.895 39.309 38.460 -0.077 0.000 1.098 1607 Y HN 0.465 nan 8.280 nan 0.000 0.506 1608 P HA 0.089 nan 4.420 nan 0.000 0.276 1608 P C 0.348 177.736 177.300 0.148 0.000 1.235 1608 P CA -0.132 63.053 63.100 0.141 0.000 0.772 1608 P CB 1.131 32.872 31.700 0.069 0.000 0.871 1609 S N 2.854 118.638 115.700 0.140 0.000 2.601 1609 S HA 0.308 4.780 4.470 0.002 0.000 0.244 1609 S C 0.259 174.771 174.600 -0.146 0.000 1.001 1609 S CA -0.559 57.633 58.200 -0.014 0.000 0.984 1609 S CB -0.385 62.769 63.200 -0.077 0.000 0.842 1609 S HN 0.565 nan 8.310 nan 0.000 0.474 1610 R N -1.131 119.307 120.500 -0.102 0.000 2.687 1610 R HA 0.522 4.864 4.340 0.002 0.000 0.265 1610 R C -1.500 174.730 176.300 -0.117 0.000 1.048 1610 R CA -0.593 55.424 56.100 -0.139 0.000 0.884 1610 R CB 0.218 30.421 30.300 -0.162 0.000 1.258 1610 R HN -0.043 nan 8.270 nan 0.000 0.469 1611 S N 1.847 117.454 115.700 -0.156 0.000 2.549 1611 S HA 0.259 4.731 4.470 0.002 0.000 0.286 1611 S C 0.174 174.672 174.600 -0.170 0.000 1.314 1611 S CA -0.133 57.963 58.200 -0.174 0.000 1.062 1611 S CB 0.074 63.117 63.200 -0.261 0.000 0.865 1611 S HN 0.339 nan 8.310 nan 0.000 0.498 1612 I N 3.329 123.805 120.570 -0.156 0.000 2.362 1612 I HA 0.292 4.463 4.170 0.002 0.000 0.289 1612 I C -0.158 175.807 176.117 -0.253 0.000 0.994 1612 I CA -0.924 60.265 61.300 -0.185 0.000 1.158 1612 I CB 1.526 39.434 38.000 -0.154 0.000 1.315 1612 I HN 0.325 nan 8.210 nan 0.000 0.451 1613 K N 6.149 126.365 120.400 -0.306 0.000 2.262 1613 K HA 0.360 4.682 4.320 0.002 0.000 0.282 1613 K C -0.174 176.186 176.600 -0.400 0.000 1.066 1613 K CA -0.238 55.844 56.287 -0.341 0.000 0.901 1613 K CB 0.665 32.892 32.500 -0.456 0.000 1.089 1613 K HN 0.722 nan 8.250 nan 0.000 0.476 1614 T N -0.003 114.368 114.554 -0.305 0.000 2.919 1614 T HA 0.293 4.644 4.350 0.002 0.000 0.282 1614 T C 0.605 175.521 174.700 0.360 0.000 1.020 1614 T CA -0.317 61.548 62.100 -0.390 0.000 0.994 1614 T CB 0.871 69.416 68.868 -0.539 0.000 1.180 1614 T HN 0.522 nan 8.240 nan 0.000 0.566 1615 D N -0.657 120.112 120.400 0.615 0.000 2.269 1615 D HA 0.315 4.956 4.640 0.002 0.000 0.208 1615 D C 1.099 177.613 176.300 0.357 0.000 0.963 1615 D CA 0.803 55.106 54.000 0.505 0.000 0.864 1615 D CB -0.570 40.532 40.800 0.504 0.000 0.936 1615 D HN 1.155 nan 8.370 nan 0.000 0.505 1616 G N -0.868 108.120 108.800 0.313 0.000 2.345 1616 G HA2 0.327 4.288 3.960 0.002 0.000 0.310 1616 G HA3 0.327 4.288 3.960 0.002 0.000 0.310 1616 G C -1.685 173.368 174.900 0.254 0.000 1.476 1616 G CA -0.830 44.428 45.100 0.264 0.000 0.978 1616 G HN 0.099 nan 8.290 nan 0.000 0.656 1617 I N 0.220 120.950 120.570 0.266 0.000 2.569 1617 I HA 0.411 4.582 4.170 0.002 0.000 0.296 1617 I C 0.736 177.022 176.117 0.283 0.000 1.028 1617 I CA -0.971 60.477 61.300 0.246 0.000 1.082 1617 I CB 2.329 40.452 38.000 0.205 0.000 1.264 1617 I HN 0.666 nan 8.210 nan 0.000 0.429 1618 K N 3.002 123.528 120.400 0.209 0.000 2.161 1618 K HA 0.417 4.738 4.320 0.002 0.000 0.205 1618 K C 0.423 177.034 176.600 0.019 0.000 1.035 1618 K CA 0.531 56.900 56.287 0.137 0.000 0.970 1618 K CB 0.369 32.922 32.500 0.089 0.000 0.866 1618 K HN 0.714 nan 8.250 nan 0.000 0.461 1619 A N 0.909 123.739 122.820 0.017 0.000 2.515 1619 A HA 0.668 4.989 4.320 0.002 0.000 0.296 1619 A C -1.364 176.258 177.584 0.063 0.000 1.094 1619 A CA -0.772 51.228 52.037 -0.061 0.000 0.718 1619 A CB 0.914 19.805 19.000 -0.182 0.000 1.307 1619 A HN 0.230 nan 8.150 nan 0.000 0.408 1620 F N -0.478 119.440 119.950 -0.053 0.000 2.613 1620 F HA 0.846 5.374 4.527 0.002 0.000 0.314 1620 F C -0.287 175.478 175.800 -0.060 0.000 1.075 1620 F CA -0.907 57.072 58.000 -0.035 0.000 0.945 1620 F CB 1.854 40.842 39.000 -0.021 0.000 1.310 1620 F HN 0.515 nan 8.300 nan 0.000 0.467 1621 S N 2.334 118.139 115.700 0.175 0.000 2.669 1621 S HA 0.511 4.982 4.470 0.002 0.000 0.315 1621 S C -1.579 173.100 174.600 0.132 0.000 1.106 1621 S CA -0.583 57.636 58.200 0.032 0.000 1.107 1621 S CB 0.847 64.014 63.200 -0.054 0.000 0.990 1621 S HN 1.073 nan 8.310 nan 0.000 0.471 1622 V N 6.927 126.955 119.914 0.191 0.000 2.353 1622 V HA 0.692 4.814 4.120 0.002 0.000 0.264 1622 V C 0.197 176.271 176.094 -0.033 0.000 1.049 1622 V CA 0.321 62.689 62.300 0.114 0.000 0.896 1622 V CB 0.499 32.439 31.823 0.194 0.000 1.025 1622 V HN 0.995 nan 8.190 nan 0.000 0.475 1623 T N 3.514 118.005 114.554 -0.106 0.000 2.932 1623 T HA 0.879 5.230 4.350 0.002 0.000 0.289 1623 T C -0.301 174.300 174.700 -0.164 0.000 1.039 1623 T CA 0.047 62.027 62.100 -0.199 0.000 1.024 1623 T CB 1.893 70.605 68.868 -0.260 0.000 1.090 1623 T HN 1.348 nan 8.240 nan 0.000 0.496 1624 S N 0.883 116.374 115.700 -0.348 0.000 2.587 1624 S HA 0.790 5.261 4.470 0.002 0.000 0.269 1624 S C -1.805 172.365 174.600 -0.717 0.000 1.154 1624 S CA -0.967 57.001 58.200 -0.387 0.000 0.824 1624 S CB 0.907 63.936 63.200 -0.286 0.000 1.118 1624 S HN 0.650 nan 8.310 nan 0.000 0.462 1625 F N -0.185 119.317 119.950 -0.747 0.000 2.654 1625 F HA 0.984 5.512 4.527 0.002 0.000 0.334 1625 F C 0.953 176.552 175.800 -0.335 0.000 1.078 1625 F CA 0.016 57.780 58.000 -0.393 0.000 0.986 1625 F CB 2.084 40.961 39.000 -0.206 0.000 1.362 1625 F HN 1.157 nan 8.300 nan 0.000 0.498 1626 G N -0.486 108.372 108.800 0.097 0.000 2.645 1626 G HA2 0.540 4.502 3.960 0.002 0.000 0.292 1626 G HA3 0.540 4.502 3.960 0.002 0.000 0.292 1626 G C -2.029 172.978 174.900 0.178 0.000 1.415 1626 G CA -0.764 44.441 45.100 0.173 0.000 0.785 1626 G HN 0.243 nan 8.290 nan 0.000 0.483 1627 F N 0.630 120.642 119.950 0.104 0.000 2.450 1627 F HA 0.454 4.983 4.527 0.002 0.000 0.339 1627 F C 1.459 177.299 175.800 0.068 0.000 1.146 1627 F CA 1.296 59.356 58.000 0.100 0.000 1.267 1627 F CB 1.219 40.287 39.000 0.113 0.000 1.178 1627 F HN 1.160 nan 8.300 nan 0.000 0.585 1628 G N 2.171 111.091 108.800 0.199 0.000 2.289 1628 G HA2 -0.311 3.651 3.960 0.002 0.000 0.280 1628 G HA3 -0.311 3.651 3.960 0.002 0.000 0.280 1628 G C 0.200 175.148 174.900 0.080 0.000 1.089 1628 G CA 0.176 45.352 45.100 0.127 0.000 0.939 1628 G HN 0.814 nan 8.290 nan 0.000 0.499 1629 Q N -2.291 117.545 119.800 0.060 0.000 2.435 1629 Q HA -0.246 4.095 4.340 0.002 0.000 0.286 1629 Q C 0.659 176.687 176.000 0.047 0.000 1.229 1629 Q CA 1.660 57.495 55.803 0.052 0.000 0.884 1629 Q CB -0.557 28.204 28.738 0.039 0.000 1.245 1629 Q HN 0.678 nan 8.270 nan 0.000 0.488 1630 K N 0.650 121.080 120.400 0.051 0.000 2.267 1630 K HA 0.463 4.784 4.320 0.002 0.000 0.282 1630 K C -0.058 176.515 176.600 -0.045 0.000 1.078 1630 K CA 0.228 56.521 56.287 0.010 0.000 0.903 1630 K CB 1.047 33.564 32.500 0.028 0.000 1.111 1630 K HN 0.275 nan 8.250 nan 0.000 0.475 1631 G N 1.778 110.507 108.800 -0.119 0.000 2.609 1631 G HA2 0.724 4.685 3.960 0.002 0.000 0.308 1631 G HA3 0.724 4.685 3.960 0.002 0.000 0.308 1631 G C -1.476 173.222 174.900 -0.336 0.000 1.369 1631 G CA -0.625 44.276 45.100 -0.332 0.000 0.958 1631 G HN 0.641 nan 8.290 nan 0.000 0.499 1632 A N 2.166 124.727 122.820 -0.432 0.000 2.422 1632 A HA 0.854 5.175 4.320 0.002 0.000 0.302 1632 A C -0.733 176.657 177.584 -0.324 0.000 1.041 1632 A CA -0.659 51.200 52.037 -0.297 0.000 0.708 1632 A CB 2.179 21.057 19.000 -0.203 0.000 1.257 1632 A HN 0.727 nan 8.150 nan 0.000 0.414 1633 Q N 1.013 120.664 119.800 -0.247 0.000 2.372 1633 Q HA 0.740 5.082 4.340 0.002 0.000 0.273 1633 Q C -1.217 174.673 176.000 -0.183 0.000 1.078 1633 Q CA -0.694 54.975 55.803 -0.223 0.000 0.806 1633 Q CB 2.268 30.871 28.738 -0.225 0.000 1.332 1633 Q HN 1.345 nan 8.270 nan 0.000 0.435 1634 A N 3.990 126.712 122.820 -0.163 0.000 2.435 1634 A HA 0.742 5.063 4.320 0.002 0.000 0.304 1634 A C -1.310 176.130 177.584 -0.239 0.000 1.064 1634 A CA -0.647 51.279 52.037 -0.185 0.000 0.727 1634 A CB 1.290 20.210 19.000 -0.133 0.000 1.284 1634 A HN 0.639 nan 8.150 nan 0.000 0.415 1635 I N 1.721 122.090 120.570 -0.335 0.000 2.465 1635 I HA 0.558 4.730 4.170 0.002 0.000 0.291 1635 I C 0.547 176.266 176.117 -0.662 0.000 1.014 1635 I CA -0.213 60.798 61.300 -0.483 0.000 1.093 1635 I CB 1.189 38.977 38.000 -0.353 0.000 1.267 1635 I HN 0.768 nan 8.210 nan 0.000 0.431 1636 G N 4.906 112.952 108.800 -1.256 0.000 2.448 1636 G HA2 0.650 4.611 3.960 0.002 0.000 0.324 1636 G HA3 0.650 4.611 3.960 0.002 0.000 0.324 1636 G C -1.333 173.131 174.900 -0.727 0.000 1.203 1636 G CA -0.418 44.007 45.100 -1.126 0.000 0.954 1636 G HN 0.320 nan 8.290 nan 0.000 0.480 1637 V N 2.329 121.985 119.914 -0.431 0.000 2.656 1637 V HA 0.300 4.421 4.120 0.002 0.000 0.307 1637 V C -0.161 175.795 176.094 -0.229 0.000 1.051 1637 V CA -1.051 61.017 62.300 -0.387 0.000 0.893 1637 V CB 1.671 33.124 31.823 -0.617 0.000 0.999 1637 V HN 0.879 nan 8.190 nan 0.000 0.426 1638 H N 6.651 125.617 119.070 -0.172 0.000 3.064 1638 H HA 0.042 4.599 4.556 0.002 0.000 0.329 1638 H C -1.799 173.534 175.328 0.009 0.000 1.020 1638 H CA -0.859 55.200 56.048 0.018 0.000 1.402 1638 H CB 1.717 31.578 29.762 0.165 0.000 1.379 1638 H HN 0.341 nan 8.280 nan 0.000 0.594 1639 P HA -0.228 nan 4.420 nan 0.000 0.217 1639 P C 1.440 178.856 177.300 0.193 0.000 1.151 1639 P CA 2.701 65.856 63.100 0.092 0.000 0.849 1639 P CB 0.080 31.906 31.700 0.211 0.000 0.787 1640 K N -0.940 119.830 120.400 0.618 0.000 2.034 1640 K HA -0.258 4.064 4.320 0.002 0.000 0.214 1640 K C 1.803 178.540 176.600 0.229 0.000 1.051 1640 K CA 1.970 58.495 56.287 0.397 0.000 0.931 1640 K CB -1.677 30.837 32.500 0.023 0.000 0.715 1640 K HN 0.099 nan 8.250 nan 0.000 0.446 1641 Y N 1.033 121.377 120.300 0.074 0.000 2.315 1641 Y HA -0.150 4.401 4.550 0.002 0.000 0.288 1641 Y C 2.328 178.376 175.900 0.247 0.000 1.154 1641 Y CA 1.133 59.320 58.100 0.144 0.000 1.229 1641 Y CB -0.499 38.033 38.460 0.121 0.000 0.980 1641 Y HN 0.149 nan 8.280 nan 0.000 0.540 1642 L N -1.274 119.992 121.223 0.072 0.000 2.044 1642 L HA -0.131 4.210 4.340 0.002 0.000 0.205 1642 L C 1.843 178.804 176.870 0.151 0.000 1.075 1642 L CA 1.605 56.522 54.840 0.127 0.000 0.747 1642 L CB -0.754 41.108 42.059 -0.328 0.000 0.903 1642 L HN 0.031 nan 8.230 nan 0.000 0.435 1643 F N 0.560 120.650 119.950 0.233 0.000 2.307 1643 F HA -0.051 4.477 4.527 0.002 0.000 0.301 1643 F C 2.371 178.292 175.800 0.202 0.000 1.076 1643 F CA 0.702 58.828 58.000 0.212 0.000 1.383 1643 F CB -1.387 37.715 39.000 0.170 0.000 1.055 1643 F HN 0.210 nan 8.300 nan 0.000 0.526 1644 A N -1.002 122.008 122.820 0.318 0.000 2.265 1644 A HA 0.075 4.396 4.320 0.002 0.000 0.213 1644 A C 1.790 179.506 177.584 0.220 0.000 1.255 1644 A CA 1.023 53.188 52.037 0.213 0.000 0.862 1644 A CB -1.014 18.029 19.000 0.073 0.000 0.852 1644 A HN 0.275 nan 8.150 nan 0.000 0.484 1645 T N -0.190 114.517 114.554 0.255 0.000 3.014 1645 T HA 0.301 4.653 4.350 0.002 0.000 0.250 1645 T C 0.799 175.605 174.700 0.178 0.000 1.060 1645 T CA 0.176 62.387 62.100 0.185 0.000 1.040 1645 T CB -0.142 68.829 68.868 0.173 0.000 0.971 1645 T HN 0.381 nan 8.240 nan 0.000 0.497 1646 L N 0.322 121.686 121.223 0.235 0.000 2.874 1646 L HA 0.601 4.942 4.340 0.002 0.000 0.229 1646 L C -0.371 176.612 176.870 0.188 0.000 1.200 1646 L CA -1.284 53.670 54.840 0.191 0.000 0.976 1646 L CB 0.359 42.541 42.059 0.206 0.000 1.887 1646 L HN -0.062 nan 8.230 nan 0.000 0.543 1647 D N -0.925 119.524 120.400 0.080 0.000 2.269 1647 D HA 0.152 4.793 4.640 0.002 0.000 0.244 1647 D C 0.306 176.398 176.300 -0.348 0.000 0.992 1647 D CA -0.608 53.394 54.000 0.005 0.000 0.894 1647 D CB 2.211 43.014 40.800 0.005 0.000 1.248 1647 D HN 0.400 nan 8.370 nan 0.000 0.468 1648 K N 1.023 120.970 120.400 -0.756 0.000 2.228 1648 K HA -0.247 4.074 4.320 0.002 0.000 0.205 1648 K C 1.538 177.824 176.600 -0.523 0.000 1.045 1648 K CA 1.450 56.937 56.287 -1.334 0.000 0.931 1648 K CB -0.026 31.773 32.500 -1.169 0.000 0.727 1648 K HN 0.459 nan 8.250 nan 0.000 0.458 1649 A N 1.416 124.079 122.820 -0.263 0.000 1.842 1649 A HA -0.296 4.025 4.320 0.002 0.000 0.217 1649 A C 2.088 179.613 177.584 -0.098 0.000 1.206 1649 A CA 2.086 54.046 52.037 -0.128 0.000 0.630 1649 A CB -0.838 18.127 19.000 -0.057 0.000 0.839 1649 A HN 0.567 nan 8.150 nan 0.000 0.447 1650 Q N -2.123 117.643 119.800 -0.056 0.000 1.993 1650 Q HA -0.204 4.137 4.340 0.002 0.000 0.202 1650 Q C 2.144 178.160 176.000 0.026 0.000 0.984 1650 Q CA 1.768 57.575 55.803 0.007 0.000 0.837 1650 Q CB -0.539 28.227 28.738 0.048 0.000 0.902 1650 Q HN 0.770 nan 8.270 nan 0.000 0.423 1651 Y N 1.847 122.075 120.300 -0.120 0.000 2.139 1651 Y HA -0.306 4.245 4.550 0.002 0.000 0.282 1651 Y C 2.040 177.899 175.900 -0.069 0.000 1.179 1651 Y CA 2.082 60.130 58.100 -0.086 0.000 1.161 1651 Y CB -0.035 38.302 38.460 -0.205 0.000 0.970 1651 Y HN 0.130 nan 8.280 nan 0.000 0.511 1652 E N -0.717 119.393 120.200 -0.150 0.000 2.427 1652 E HA -0.010 4.341 4.350 0.002 0.000 0.196 1652 E C 1.969 178.476 176.600 -0.155 0.000 1.028 1652 E CA 0.524 56.809 56.400 -0.192 0.000 0.864 1652 E CB -0.113 29.503 29.700 -0.140 0.000 0.813 1652 E HN 0.587 nan 8.360 nan 0.000 0.514 1653 A N -0.064 122.698 122.820 -0.097 0.000 1.984 1653 A HA -0.097 4.224 4.320 0.002 0.000 0.214 1653 A C 1.833 179.393 177.584 -0.039 0.000 1.173 1653 A CA 0.531 52.535 52.037 -0.054 0.000 0.673 1653 A CB -0.477 18.514 19.000 -0.015 0.000 0.830 1653 A HN 0.507 nan 8.150 nan 0.000 0.453 1654 Y N -0.018 120.183 120.300 -0.166 0.000 2.200 1654 Y HA -0.215 4.337 4.550 0.002 0.000 0.290 1654 Y C 2.283 178.045 175.900 -0.230 0.000 1.137 1654 Y CA 1.565 59.568 58.100 -0.161 0.000 1.163 1654 Y CB -0.784 37.598 38.460 -0.130 0.000 0.988 1654 Y HN 0.298 nan 8.280 nan 0.000 0.518 1655 C N -0.092 118.934 119.300 -0.456 0.000 2.409 1655 C HA -0.139 4.323 4.460 0.002 0.000 0.284 1655 C C 2.630 177.407 174.990 -0.354 0.000 1.354 1655 C CA 1.187 59.881 59.018 -0.541 0.000 1.787 1655 C CB -1.316 26.126 27.740 -0.496 0.000 1.900 1655 C HN 0.571 nan 8.230 nan 0.000 0.520 1656 V N 0.316 120.077 119.914 -0.256 0.000 2.599 1656 V HA -0.102 4.019 4.120 0.002 0.000 0.245 1656 V C 2.335 178.335 176.094 -0.156 0.000 1.046 1656 V CA 1.371 63.571 62.300 -0.166 0.000 1.065 1656 V CB -0.511 31.246 31.823 -0.109 0.000 0.703 1656 V HN 0.518 nan 8.190 nan 0.000 0.464 1657 K N 0.336 120.628 120.400 -0.180 0.000 2.026 1657 K HA -0.138 4.184 4.320 0.002 0.000 0.208 1657 K C 2.163 178.666 176.600 -0.162 0.000 1.048 1657 K CA 1.470 57.673 56.287 -0.140 0.000 0.929 1657 K CB -0.553 31.878 32.500 -0.115 0.000 0.713 1657 K HN 0.292 nan 8.250 nan 0.000 0.439 1658 V N 1.967 121.691 119.914 -0.315 0.000 2.252 1658 V HA -0.315 3.807 4.120 0.002 0.000 0.249 1658 V C 2.194 178.282 176.094 -0.010 0.000 1.056 1658 V CA 1.920 64.084 62.300 -0.227 0.000 1.022 1658 V CB -0.491 31.066 31.823 -0.443 0.000 0.641 1658 V HN 0.388 nan 8.190 nan 0.000 0.445 1659 Q N -0.856 118.898 119.800 -0.076 0.000 2.369 1659 Q HA -0.005 4.336 4.340 0.002 0.000 0.206 1659 Q C 2.241 178.207 176.000 -0.057 0.000 0.963 1659 Q CA 1.168 56.939 55.803 -0.054 0.000 0.894 1659 Q CB -0.283 28.404 28.738 -0.084 0.000 0.965 1659 Q HN 0.709 nan 8.270 nan 0.000 0.475 1660 A N 1.062 123.854 122.820 -0.047 0.000 1.897 1660 A HA -0.141 4.181 4.320 0.002 0.000 0.215 1660 A C 1.963 179.543 177.584 -0.006 0.000 1.181 1660 A CA 0.903 52.919 52.037 -0.034 0.000 0.620 1660 A CB -0.223 18.758 19.000 -0.032 0.000 0.821 1660 A HN 0.157 nan 8.150 nan 0.000 0.443 1661 R N -0.843 119.682 120.500 0.041 0.000 2.080 1661 R HA -0.171 4.171 4.340 0.002 0.000 0.236 1661 R C 2.458 178.818 176.300 0.100 0.000 1.137 1661 R CA 1.523 57.690 56.100 0.112 0.000 0.943 1661 R CB -0.391 30.029 30.300 0.200 0.000 0.846 1661 R HN 0.622 nan 8.270 nan 0.000 0.431 1662 Q N 1.243 121.060 119.800 0.028 0.000 2.308 1662 Q HA -0.202 4.140 4.340 0.002 0.000 0.209 1662 Q C 1.242 177.074 176.000 -0.280 0.000 0.985 1662 Q CA 1.699 57.149 55.803 -0.589 0.000 0.881 1662 Q CB 0.105 28.375 28.738 -0.781 0.000 0.917 1662 Q HN 0.289 nan 8.270 nan 0.000 0.443 1663 K N -0.622 119.707 120.400 -0.118 0.000 2.284 1663 K HA 0.012 4.334 4.320 0.002 0.000 0.198 1663 K C 2.083 178.708 176.600 0.041 0.000 1.048 1663 K CA 0.471 56.729 56.287 -0.048 0.000 0.987 1663 K CB 0.296 32.751 32.500 -0.074 0.000 0.800 1663 K HN 0.035 nan 8.250 nan 0.000 0.486 1664 K N 0.641 121.052 120.400 0.018 0.000 2.062 1664 K HA -0.020 4.301 4.320 0.002 0.000 0.205 1664 K C 2.134 178.767 176.600 0.055 0.000 1.051 1664 K CA 1.187 57.491 56.287 0.029 0.000 0.941 1664 K CB -0.067 32.428 32.500 -0.008 0.000 0.719 1664 K HN 0.073 nan 8.250 nan 0.000 0.440 1665 A N 0.750 123.582 122.820 0.020 0.000 1.908 1665 A HA -0.227 4.094 4.320 0.002 0.000 0.218 1665 A C 2.093 179.613 177.584 -0.106 0.000 1.181 1665 A CA 1.482 53.494 52.037 -0.042 0.000 0.627 1665 A CB -0.868 18.077 19.000 -0.091 0.000 0.818 1665 A HN 0.467 nan 8.150 nan 0.000 0.445 1666 Y N 0.438 120.633 120.300 -0.175 0.000 2.165 1666 Y HA -0.260 4.291 4.550 0.002 0.000 0.286 1666 Y C 2.537 178.531 175.900 0.158 0.000 1.155 1666 Y CA 2.364 60.459 58.100 -0.009 0.000 1.164 1666 Y CB -0.290 38.165 38.460 -0.008 0.000 0.978 1666 Y HN 0.329 nan 8.280 nan 0.000 0.513 1667 R N -0.728 119.908 120.500 0.227 0.000 2.073 1667 R HA -0.208 4.134 4.340 0.002 0.000 0.234 1667 R C 2.157 178.554 176.300 0.161 0.000 1.134 1667 R CA 1.827 58.026 56.100 0.164 0.000 0.952 1667 R CB -0.836 29.564 30.300 0.165 0.000 0.850 1667 R HN 0.419 nan 8.270 nan 0.000 0.433 1668 F N 0.856 120.803 119.950 -0.006 0.000 2.075 1668 F HA -0.193 4.336 4.527 0.002 0.000 0.297 1668 F C 1.937 177.730 175.800 -0.012 0.000 1.113 1668 F CA 1.367 59.358 58.000 -0.014 0.000 1.218 1668 F CB -1.082 37.906 39.000 -0.019 0.000 0.984 1668 F HN 0.061 nan 8.300 nan 0.000 0.472 1669 F N 0.502 120.344 119.950 -0.180 0.000 2.091 1669 F HA -0.310 4.219 4.527 0.002 0.000 0.299 1669 F C 2.835 178.431 175.800 -0.341 0.000 1.103 1669 F CA 2.464 60.290 58.000 -0.290 0.000 1.228 1669 F CB -0.761 38.140 39.000 -0.165 0.000 0.984 1669 F HN 0.084 nan 8.300 nan 0.000 0.477 1670 H N -0.744 118.225 119.070 -0.168 0.000 2.395 1670 H HA -0.119 4.438 4.556 0.002 0.000 0.299 1670 H C 1.996 177.147 175.328 -0.295 0.000 1.070 1670 H CA 1.487 57.365 56.048 -0.283 0.000 1.356 1670 H CB -0.637 28.959 29.762 -0.277 0.000 1.401 1670 H HN 0.341 nan 8.280 nan 0.000 0.524 1671 N N 0.874 119.514 118.700 -0.100 0.000 2.104 1671 N HA -0.111 4.630 4.740 0.002 0.000 0.190 1671 N C 2.186 177.579 175.510 -0.195 0.000 1.024 1671 N CA 1.658 54.649 53.050 -0.099 0.000 0.853 1671 N CB -0.510 37.980 38.487 0.005 0.000 1.008 1671 N HN 0.272 nan 8.380 nan 0.000 0.424 1672 G N 0.300 108.880 108.800 -0.367 0.000 2.408 1672 G HA2 -0.073 3.888 3.960 0.002 0.000 0.215 1672 G HA3 -0.073 3.888 3.960 0.002 0.000 0.215 1672 G C 1.564 176.242 174.900 -0.369 0.000 1.156 1672 G CA 0.279 45.131 45.100 -0.412 0.000 0.793 1672 G HN 0.307 nan 8.290 nan 0.000 0.535 1673 L N 0.058 120.903 121.223 -0.630 0.000 2.042 1673 L HA -0.043 4.299 4.340 0.002 0.000 0.210 1673 L C 2.848 179.609 176.870 -0.183 0.000 1.076 1673 L CA 1.084 55.470 54.840 -0.758 0.000 0.749 1673 L CB -0.278 41.131 42.059 -1.083 0.000 0.893 1673 L HN 0.252 nan 8.230 nan 0.000 0.432 1674 I N -0.284 120.200 120.570 -0.143 0.000 2.233 1674 I HA -0.251 3.920 4.170 0.002 0.000 0.243 1674 I C 1.488 177.641 176.117 0.060 0.000 1.093 1674 I CA 1.156 62.451 61.300 -0.009 0.000 1.380 1674 I CB -0.153 37.778 38.000 -0.116 0.000 1.067 1674 I HN 0.282 nan 8.210 nan 0.000 0.413 1675 N N 0.842 119.542 118.700 -0.001 0.000 2.280 1675 N HA 0.024 4.765 4.740 0.002 0.000 0.192 1675 N C -0.382 175.150 175.510 0.037 0.000 1.109 1675 N CA 0.174 53.234 53.050 0.016 0.000 0.855 1675 N CB -0.086 38.396 38.487 -0.008 0.000 0.974 1675 N HN 0.162 nan 8.380 nan 0.000 0.482 1676 N N 0.265 119.009 118.700 0.074 0.000 2.756 1676 N HA -0.181 4.561 4.740 0.002 0.000 0.248 1676 N C -0.606 174.945 175.510 0.068 0.000 1.062 1676 N CA 0.621 53.730 53.050 0.098 0.000 0.696 1676 N CB -1.113 37.400 38.487 0.044 0.000 0.946 1676 N HN 0.361 nan 8.380 nan 0.000 0.548 1677 K N 0.517 120.929 120.400 0.020 0.000 3.278 1677 K HA 0.329 4.650 4.320 0.002 0.000 0.200 1677 K C 1.275 177.831 176.600 -0.073 0.000 1.107 1677 K CA -0.286 56.018 56.287 0.029 0.000 0.923 1677 K CB 0.510 33.031 32.500 0.035 0.000 0.787 1677 K HN 0.081 nan 8.250 nan 0.000 0.481 1678 L N 0.274 121.494 121.223 -0.005 0.000 2.376 1678 L HA 0.094 4.435 4.340 0.002 0.000 0.219 1678 L C 0.232 177.201 176.870 0.165 0.000 1.133 1678 L CA 0.993 55.808 54.840 -0.041 0.000 0.816 1678 L CB -0.051 42.111 42.059 0.172 0.000 0.933 1678 L HN 0.272 nan 8.230 nan 0.000 0.449 1679 F N 0.329 120.341 119.950 0.104 0.000 2.427 1679 F HA 0.440 4.968 4.527 0.002 0.000 0.348 1679 F C -0.536 175.332 175.800 0.113 0.000 1.125 1679 F CA -0.652 57.423 58.000 0.125 0.000 0.989 1679 F CB 1.468 40.541 39.000 0.122 0.000 1.165 1679 F HN -0.451 nan 8.300 nan 0.000 0.442 1680 V N 6.324 126.202 119.914 -0.061 0.000 2.357 1680 V HA 0.588 4.709 4.120 0.002 0.000 0.284 1680 V C 0.032 176.061 176.094 -0.108 0.000 1.018 1680 V CA -0.770 61.551 62.300 0.035 0.000 0.841 1680 V CB 1.258 33.117 31.823 0.059 0.000 0.991 1680 V HN 0.907 nan 8.190 nan 0.000 0.437 1681 A N 6.193 129.103 122.820 0.151 0.000 2.409 1681 A HA 0.489 4.810 4.320 0.002 0.000 0.267 1681 A C 0.261 177.884 177.584 0.065 0.000 1.127 1681 A CA -0.317 51.829 52.037 0.181 0.000 0.795 1681 A CB 0.166 19.355 19.000 0.315 0.000 1.061 1681 A HN 0.620 nan 8.150 nan 0.000 0.502 1682 K N 2.081 122.492 120.400 0.019 0.000 2.276 1682 K HA 0.154 4.476 4.320 0.002 0.000 0.283 1682 K C -0.180 176.466 176.600 0.077 0.000 1.044 1682 K CA -0.206 56.084 56.287 0.005 0.000 0.944 1682 K CB 1.254 33.715 32.500 -0.065 0.000 1.012 1682 K HN 0.727 nan 8.250 nan 0.000 0.472 1683 D N 1.345 121.791 120.400 0.076 0.000 2.429 1683 D HA 0.004 4.645 4.640 0.002 0.000 0.242 1683 D C 0.150 176.498 176.300 0.080 0.000 1.076 1683 D CA 0.912 54.961 54.000 0.081 0.000 0.955 1683 D CB 0.291 41.131 40.800 0.068 0.000 1.076 1683 D HN 0.156 nan 8.370 nan 0.000 0.448 1684 K N 1.191 121.636 120.400 0.075 0.000 2.185 1684 K HA 0.549 4.870 4.320 0.002 0.000 0.271 1684 K C -0.087 176.559 176.600 0.076 0.000 1.013 1684 K CA -0.373 55.944 56.287 0.050 0.000 0.943 1684 K CB 1.448 33.965 32.500 0.030 0.000 0.998 1684 K HN 0.058 nan 8.250 nan 0.000 0.468 1685 A N 3.742 126.540 122.820 -0.037 0.000 2.310 1685 A HA 0.276 4.597 4.320 0.002 0.000 0.260 1685 A C -1.504 175.932 177.584 -0.245 0.000 1.112 1685 A CA -0.798 51.161 52.037 -0.130 0.000 0.804 1685 A CB -0.423 18.311 19.000 -0.444 0.000 1.081 1685 A HN 0.466 nan 8.150 nan 0.000 0.499 1686 P HA -0.015 nan 4.420 nan 0.000 0.217 1686 P C -0.343 176.946 177.300 -0.019 0.000 1.151 1686 P CA 1.223 64.094 63.100 -0.382 0.000 0.828 1686 P CB -0.170 31.193 31.700 -0.562 0.000 0.788 1687 Y N -0.881 119.530 120.300 0.185 0.000 2.323 1687 Y HA 0.495 5.046 4.550 0.002 0.000 0.331 1687 Y C 0.496 176.453 175.900 0.095 0.000 1.092 1687 Y CA -1.762 56.455 58.100 0.195 0.000 1.150 1687 Y CB 0.147 38.706 38.460 0.164 0.000 1.200 1687 Y HN -0.181 nan 8.280 nan 0.000 0.472 1688 E N 2.156 122.458 120.200 0.171 0.000 2.438 1688 E HA -0.089 4.262 4.350 0.002 0.000 0.261 1688 E C 0.047 176.729 176.600 0.137 0.000 1.103 1688 E CA -0.025 56.431 56.400 0.094 0.000 0.959 1688 E CB 0.554 30.302 29.700 0.081 0.000 0.958 1688 E HN 0.718 nan 8.360 nan 0.000 0.447 1689 D N 1.474 121.921 120.400 0.077 0.000 2.144 1689 D HA -0.171 4.471 4.640 0.002 0.000 0.199 1689 D C 1.991 178.333 176.300 0.069 0.000 0.984 1689 D CA 1.207 55.256 54.000 0.081 0.000 0.834 1689 D CB -0.100 40.720 40.800 0.032 0.000 0.955 1689 D HN 0.481 nan 8.370 nan 0.000 0.465 1690 R N 1.028 121.557 120.500 0.049 0.000 2.159 1690 R HA -0.082 4.259 4.340 0.002 0.000 0.237 1690 R C 2.068 178.379 176.300 0.018 0.000 1.131 1690 R CA 1.202 57.316 56.100 0.024 0.000 0.982 1690 R CB -0.599 29.713 30.300 0.021 0.000 0.868 1690 R HN 0.224 nan 8.270 nan 0.000 0.453 1691 I N 0.755 121.356 120.570 0.051 0.000 3.030 1691 I HA -0.070 4.102 4.170 0.002 0.000 0.270 1691 I C 2.656 178.745 176.117 -0.047 0.000 1.211 1691 I CA 0.406 61.718 61.300 0.020 0.000 1.479 1691 I CB -0.443 37.596 38.000 0.064 0.000 1.105 1691 I HN 0.276 nan 8.210 nan 0.000 0.447 1692 Q N 1.658 121.444 119.800 -0.023 0.000 2.047 1692 Q HA -0.293 4.049 4.340 0.002 0.000 0.211 1692 Q C 2.272 178.068 176.000 -0.339 0.000 1.005 1692 Q CA 2.899 58.569 55.803 -0.221 0.000 0.866 1692 Q CB -0.083 28.555 28.738 -0.166 0.000 0.938 1692 Q HN 0.446 nan 8.270 nan 0.000 0.414 1693 S N 0.178 115.714 115.700 -0.273 0.000 2.370 1693 S HA -0.170 4.301 4.470 0.002 0.000 0.226 1693 S C 1.740 176.282 174.600 -0.098 0.000 1.033 1693 S CA 1.592 59.660 58.200 -0.219 0.000 1.011 1693 S CB -0.149 62.960 63.200 -0.151 0.000 0.852 1693 S HN 0.350 nan 8.310 nan 0.000 0.457 1694 K N 0.566 120.910 120.400 -0.093 0.000 2.025 1694 K HA -0.040 4.281 4.320 0.002 0.000 0.207 1694 K C 2.087 178.635 176.600 -0.088 0.000 1.049 1694 K CA 1.362 57.606 56.287 -0.071 0.000 0.933 1694 K CB -0.462 32.001 32.500 -0.063 0.000 0.714 1694 K HN 0.199 nan 8.250 nan 0.000 0.438 1695 V N 1.035 120.849 119.914 -0.166 0.000 2.332 1695 V HA -0.244 3.878 4.120 0.002 0.000 0.248 1695 V C 1.987 177.991 176.094 -0.151 0.000 1.055 1695 V CA 1.760 63.871 62.300 -0.314 0.000 1.038 1695 V CB -0.675 30.715 31.823 -0.721 0.000 0.651 1695 V HN 0.223 nan 8.190 nan 0.000 0.450 1696 F N -0.795 118.953 119.950 -0.337 0.000 2.333 1696 F HA -0.054 4.475 4.527 0.002 0.000 0.300 1696 F C 1.924 177.690 175.800 -0.057 0.000 1.083 1696 F CA 1.035 58.918 58.000 -0.195 0.000 1.395 1696 F CB 0.028 38.909 39.000 -0.197 0.000 1.056 1696 F HN 0.118 nan 8.300 nan 0.000 0.529 1697 L N -1.572 119.694 121.223 0.071 0.000 2.642 1697 L HA 0.096 4.437 4.340 0.002 0.000 0.233 1697 L C 0.428 177.255 176.870 -0.073 0.000 1.077 1697 L CA -0.093 54.749 54.840 0.003 0.000 0.879 1697 L CB -0.014 42.044 42.059 -0.001 0.000 1.151 1697 L HN -0.138 nan 8.230 nan 0.000 0.495 1698 N N 1.695 120.339 118.700 -0.092 0.000 2.482 1698 N HA 0.122 4.863 4.740 0.002 0.000 0.242 1698 N C -2.093 173.249 175.510 -0.281 0.000 1.100 1698 N CA -1.976 50.993 53.050 -0.134 0.000 0.946 1698 N CB 1.143 39.577 38.487 -0.089 0.000 1.227 1698 N HN -0.110 nan 8.380 nan 0.000 0.508 1699 P HA 0.024 nan 4.420 nan 0.000 0.251 1699 P C 0.101 177.163 177.300 -0.396 0.000 1.251 1699 P CA 0.877 63.597 63.100 -0.632 0.000 0.763 1699 P CB 0.272 31.770 31.700 -0.336 0.000 1.067 1700 Q N -1.904 117.774 119.800 -0.203 0.000 2.126 1700 Q HA 0.096 4.437 4.340 0.002 0.000 0.233 1700 Q C 0.135 176.162 176.000 0.045 0.000 0.788 1700 Q CA -0.025 55.751 55.803 -0.044 0.000 0.968 1700 Q CB 0.555 29.276 28.738 -0.029 0.000 1.163 1700 Q HN 0.175 nan 8.270 nan 0.000 0.471 1701 S N 1.297 117.015 115.700 0.031 0.000 2.544 1701 S HA 0.249 4.721 4.470 0.002 0.000 0.290 1701 S C -0.085 174.686 174.600 0.286 0.000 1.276 1701 S CA -0.101 58.153 58.200 0.090 0.000 1.075 1701 S CB 0.621 63.780 63.200 -0.068 0.000 0.849 1701 S HN 0.158 nan 8.310 nan 0.000 0.494 1702 R N 1.630 122.354 120.500 0.374 0.000 2.740 1702 R HA 0.516 4.858 4.340 0.002 0.000 0.273 1702 R C -1.230 175.233 176.300 0.273 0.000 0.998 1702 R CA -1.004 55.361 56.100 0.442 0.000 0.900 1702 R CB 1.853 32.290 30.300 0.228 0.000 1.223 1702 R HN 0.521 nan 8.270 nan 0.000 0.466 1703 V N 2.097 121.946 119.914 -0.109 0.000 2.637 1703 V HA 0.105 4.226 4.120 0.002 0.000 0.296 1703 V C 0.523 176.522 176.094 -0.158 0.000 1.046 1703 V CA 0.388 62.440 62.300 -0.413 0.000 1.066 1703 V CB 1.305 32.737 31.823 -0.651 0.000 0.968 1703 V HN 0.915 nan 8.190 nan 0.000 0.483 1704 T N 2.903 117.390 114.554 -0.112 0.000 2.925 1704 T HA 0.517 4.868 4.350 0.002 0.000 0.285 1704 T C -0.325 174.333 174.700 -0.070 0.000 1.021 1704 T CA -0.780 61.280 62.100 -0.067 0.000 1.042 1704 T CB 1.552 70.407 68.868 -0.022 0.000 1.037 1704 T HN 0.548 nan 8.240 nan 0.000 0.481 1705 Q N 1.176 120.942 119.800 -0.057 0.000 2.349 1705 Q HA 0.218 4.559 4.340 0.002 0.000 0.287 1705 Q C -0.172 175.811 176.000 -0.027 0.000 1.044 1705 Q CA 0.796 56.574 55.803 -0.043 0.000 0.918 1705 Q CB 0.344 29.060 28.738 -0.038 0.000 1.242 1705 Q HN 0.752 nan 8.270 nan 0.000 0.405 1706 E N 0.558 120.747 120.200 -0.020 0.000 2.316 1706 E HA 0.247 4.598 4.350 0.002 0.000 0.258 1706 E C 0.407 177.004 176.600 -0.005 0.000 0.952 1706 E CA 0.039 56.433 56.400 -0.009 0.000 0.818 1706 E CB 1.452 31.150 29.700 -0.004 0.000 1.260 1706 E HN 0.791 nan 8.360 nan 0.000 0.416 1707 S N 0.214 115.914 115.700 0.000 0.000 2.500 1707 S HA -0.164 4.307 4.470 0.002 0.000 0.239 1707 S C 0.884 175.485 174.600 0.002 0.000 0.989 1707 S CA 1.185 59.386 58.200 0.001 0.000 0.951 1707 S CB -0.454 62.749 63.200 0.004 0.000 0.759 1707 S HN 0.476 nan 8.310 nan 0.000 0.523 1708 N N 0.115 118.817 118.700 0.003 0.000 2.200 1708 N HA 0.369 5.111 4.740 0.002 0.000 0.224 1708 N C 1.027 176.538 175.510 0.001 0.000 1.179 1708 N CA 0.223 53.276 53.050 0.004 0.000 0.877 1708 N CB -0.018 38.474 38.487 0.010 0.000 1.072 1708 N HN 0.366 nan 8.380 nan 0.000 0.519 1709 G N -0.239 108.558 108.800 -0.005 0.000 2.205 1709 G HA2 -0.329 3.632 3.960 0.002 0.000 0.261 1709 G HA3 -0.329 3.632 3.960 0.002 0.000 0.261 1709 G C -0.262 174.633 174.900 -0.007 0.000 0.980 1709 G CA 0.188 45.280 45.100 -0.012 0.000 0.632 1709 G HN 0.466 nan 8.290 nan 0.000 0.533 1710 E N 0.147 120.352 120.200 0.007 0.000 2.354 1710 E HA 0.469 4.820 4.350 0.002 0.000 0.269 1710 E C 0.528 177.140 176.600 0.020 0.000 1.036 1710 E CA -0.407 56.011 56.400 0.030 0.000 0.876 1710 E CB 0.653 30.378 29.700 0.041 0.000 1.009 1710 E HN 0.365 nan 8.360 nan 0.000 0.416 1711 L N 3.963 125.215 121.223 0.048 0.000 2.276 1711 L HA 0.370 4.712 4.340 0.002 0.000 0.286 1711 L C 0.131 176.936 176.870 -0.109 0.000 1.061 1711 L CA -0.109 54.717 54.840 -0.023 0.000 0.807 1711 L CB 0.381 42.446 42.059 0.011 0.000 1.177 1711 L HN 0.275 nan 8.230 nan 0.000 0.429 1712 K N 3.381 123.690 120.400 -0.151 0.000 2.501 1712 K HA 0.439 4.761 4.320 0.002 0.000 0.252 1712 K C -1.218 175.286 176.600 -0.159 0.000 0.934 1712 K CA -0.851 55.337 56.287 -0.165 0.000 0.797 1712 K CB 2.372 34.851 32.500 -0.035 0.000 1.270 1712 K HN 0.116 nan 8.250 nan 0.000 0.431 1713 F N 2.988 122.938 119.950 -0.001 0.000 2.602 1713 F HA 0.076 4.605 4.527 0.002 0.000 0.385 1713 F C -1.540 174.277 175.800 0.029 0.000 1.063 1713 F CA -1.047 56.967 58.000 0.022 0.000 1.233 1713 F CB -0.407 38.621 39.000 0.047 0.000 1.067 1713 F HN 0.282 nan 8.300 nan 0.000 0.564 1714 P HA 0.104 nan 4.420 nan 0.000 0.271 1714 P C -0.537 176.833 177.300 0.117 0.000 1.233 1714 P CA -0.201 62.969 63.100 0.116 0.000 0.795 1714 P CB 0.480 32.234 31.700 0.089 0.000 0.936 1715 A N 0.000 122.867 122.820 0.079 0.000 2.254 1715 A HA 0.000 4.321 4.320 0.002 0.000 0.244 1715 A CA 0.000 52.075 52.037 0.063 0.000 0.836 1715 A CB 0.000 19.030 19.000 0.050 0.000 0.831 1715 A HN 0.000 nan 8.150 nan 0.000 0.486