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_E 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 KDVIRALAXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXKVE TIPFLHLRKK DEFGNWEYSK KLTGIYLDGL EAAARSGLTF DATA SEQUENCE QGKHALMTGA GAGSIGAEVL QGLLSGGAKV IVTTSRFSRQ VTEYYQGIYA DATA SEQUENCE RCGARGSQLV VVPFNQGSKQ DVEALVNYIY DTKNGLGWDL DYVVPFAAIP DATA SEQUENCE ENGREIDSID SKSELAHRIM LTNLLRLLGA IKTQKKERGY ETRPAQVILP DATA SEQUENCE LSPNHGTFGN DGLYSESKLA LETLFNRWYS ESWGNYLTIC GAVIGWTRGT DATA SEQUENCE GLMSANNLVA EGVEKLGVRT FSQQEMAFNL LGLMAPAIVN LCQSDPVFAD DATA SEQUENCE LNGGLQFIPD LKGLMTKLRK EIMETSAIRQ AVIKETAIEN KVVNGEDHEA DATA SEQUENCE LYRRVITEPR ANLKYPFPEL PDWDKDIKPL NDQLRGMVNL DKVVVVTGLA DATA SEQUENCE EIGPWGNART RWEMEAYGKF SLEGCVEMAW MMGLIKNHNG PLKGKPYSGW DATA SEQUENCE VDAKTGEPVD DKDVKAKYEK YILEHSGIRL IEPELFGGYD PNRKQLLQEV DATA SEQUENCE VIEQDLEPFE ASKEQAEEFK REHGDKVEIF EIPETGQYTV RLRKGATLLI DATA SEQUENCE PKALQFDRLV AGQIPTGWDA RRYGVPEDII QQVDPVTLYV LVSVAEALLS DATA SEQUENCE SGITDPYEFY KYVHLSEVGN CIGSGVGGTS ALRGMYKDRY LDKPVQKDIL DATA SEQUENCE QESFVNTMAA WVNMLLLSST GPIKTPVGAC ATAVESLDVG YDTIMQGKAR DATA SEQUENCE VCLVGGFDDF QEEGSYEFAN MGATSNAKEE FARGREPGEM SRPTSTTRNG DATA SEQUENCE FMESQGCGVQ VIMTAQLALE MGVPIYGIVA MTSTATDKIG RSVPAPGQGV DATA SEQUENCE LTTAREKSGN FPSPLLDIKY RRRQLELRRQ QIKQWKESEY LYLQEEVAAI DATA SEQUENCE KSQRSEEDGP FDETAYLRER TEHIEREARR QEAEAQTSFG NEFWRRDSRI DATA SEQUENCE APLRGALATW GLTIDDLGVA SFHGTSTVAN DKNESDVICQ QLKHLGRTKG DATA SEQUENCE NAVLGIFQKY LTGHPKGAAG AWMLNGCLQV LNTGIVPGNR NADNVDKVME DATA SEQUENCE QFDYIVYPSR SIKTDGIKAF SVTSFGFGQK GAQAIGVHPK YLFATLDKAQ DATA SEQUENCE YEAYCVKVQA RQKKAYRFFH NGLINNKLFV AKDKAPYEDR IQSKVFLNPQ DATA SEQUENCE SRVTQESNGE LKFPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 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 0.849 121.353 120.500 0.007 0.000 2.298 2 R HA 0.242 4.583 4.340 0.001 0.000 0.310 2 R C -1.698 174.607 176.300 0.007 0.000 1.068 2 R CA -1.347 54.757 56.100 0.006 0.000 0.957 2 R CB 0.468 30.771 30.300 0.005 0.000 1.003 2 R HN -0.095 nan 8.270 nan 0.000 0.454 3 P HA -0.190 nan 4.420 nan 0.000 0.215 3 P C 0.641 177.945 177.300 0.007 0.000 1.157 3 P CA 1.127 64.231 63.100 0.008 0.000 0.868 3 P CB 0.283 31.987 31.700 0.006 0.000 0.788 4 E N -0.446 119.755 120.200 0.002 0.000 2.130 4 E HA -0.123 4.227 4.350 0.001 0.000 0.196 4 E C 2.094 178.692 176.600 -0.003 0.000 0.998 4 E CA 1.037 57.435 56.400 -0.004 0.000 0.806 4 E CB -1.173 28.522 29.700 -0.008 0.000 0.738 4 E HN 0.142 nan 8.360 nan 0.000 0.459 5 V N 1.450 121.365 119.914 0.003 0.000 2.302 5 V HA -0.190 3.930 4.120 0.001 0.000 0.243 5 V C 2.230 178.335 176.094 0.018 0.000 1.036 5 V CA 1.571 63.875 62.300 0.008 0.000 1.020 5 V CB -0.457 31.371 31.823 0.009 0.000 0.657 5 V HN 0.209 nan 8.190 nan 0.000 0.453 6 E N -0.364 119.848 120.200 0.019 0.000 2.130 6 E HA -0.305 4.045 4.350 0.001 0.000 0.196 6 E C 2.294 178.918 176.600 0.041 0.000 0.998 6 E CA 1.508 57.925 56.400 0.028 0.000 0.806 6 E CB -0.106 29.607 29.700 0.023 0.000 0.738 6 E HN 0.625 nan 8.360 nan 0.000 0.459 7 Q N 0.482 120.303 119.800 0.035 0.000 1.942 7 Q HA -0.192 4.148 4.340 0.001 0.000 0.203 7 Q C 2.117 178.163 176.000 0.076 0.000 0.987 7 Q CA 1.380 57.213 55.803 0.049 0.000 0.844 7 Q CB -0.105 28.645 28.738 0.020 0.000 0.911 7 Q HN 0.347 nan 8.270 nan 0.000 0.423 8 E N 0.316 120.531 120.200 0.026 0.000 2.219 8 E HA -0.217 4.134 4.350 0.001 0.000 0.198 8 E C 1.976 178.645 176.600 0.116 0.000 0.998 8 E CA 0.668 57.079 56.400 0.019 0.000 0.818 8 E CB -0.044 29.637 29.700 -0.033 0.000 0.741 8 E HN 0.156 nan 8.360 nan 0.000 0.477 9 L N 0.908 122.185 121.223 0.090 0.000 1.982 9 L HA -0.092 4.249 4.340 0.001 0.000 0.206 9 L C 2.471 179.406 176.870 0.108 0.000 1.078 9 L CA 1.925 56.818 54.840 0.088 0.000 0.749 9 L CB -1.061 41.031 42.059 0.054 0.000 0.894 9 L HN 0.035 nan 8.230 nan 0.000 0.436 10 A N -1.639 121.237 122.820 0.093 0.000 1.997 10 A HA -0.333 3.988 4.320 0.001 0.000 0.221 10 A C 2.283 179.926 177.584 0.099 0.000 1.172 10 A CA 2.105 54.189 52.037 0.079 0.000 0.645 10 A CB -1.183 17.857 19.000 0.065 0.000 0.813 10 A HN 0.565 nan 8.150 nan 0.000 0.454 11 Y N 1.417 121.729 120.300 0.020 0.000 2.036 11 Y HA -0.270 4.280 4.550 0.001 0.000 0.273 11 Y C 2.733 178.651 175.900 0.029 0.000 1.135 11 Y CA 2.870 60.983 58.100 0.022 0.000 1.106 11 Y CB -0.725 37.747 38.460 0.020 0.000 0.976 11 Y HN 0.334 nan 8.280 nan 0.000 0.483 12 T N 1.242 115.939 114.554 0.238 0.000 2.915 12 T HA -0.154 4.196 4.350 0.001 0.000 0.269 12 T C 1.744 176.461 174.700 0.029 0.000 1.071 12 T CA 1.112 63.283 62.100 0.119 0.000 1.132 12 T CB -0.578 68.418 68.868 0.212 0.000 0.878 12 T HN 0.298 nan 8.240 nan 0.000 0.479 13 L N 1.258 122.505 121.223 0.040 0.000 2.017 13 L HA 0.035 4.375 4.340 0.001 0.000 0.208 13 L C 2.154 179.023 176.870 -0.002 0.000 1.073 13 L CA 1.477 56.331 54.840 0.023 0.000 0.745 13 L CB -1.065 41.010 42.059 0.027 0.000 0.894 13 L HN 0.168 nan 8.230 nan 0.000 0.432 14 L N -0.871 120.331 121.223 -0.036 0.000 1.976 14 L HA -0.178 4.162 4.340 0.001 0.000 0.209 14 L C 2.598 179.414 176.870 -0.090 0.000 1.071 14 L CA 2.033 56.835 54.840 -0.064 0.000 0.746 14 L CB -0.925 41.078 42.059 -0.093 0.000 0.890 14 L HN 0.197 nan 8.230 nan 0.000 0.432 15 V N 0.357 120.159 119.914 -0.187 0.000 2.324 15 V HA -0.276 3.845 4.120 0.001 0.000 0.250 15 V C 2.665 178.745 176.094 -0.024 0.000 1.060 15 V CA 1.808 64.003 62.300 -0.175 0.000 1.042 15 V CB -0.579 31.070 31.823 -0.290 0.000 0.650 15 V HN 0.457 nan 8.190 nan 0.000 0.450 16 E N -0.187 120.036 120.200 0.038 0.000 2.046 16 E HA -0.102 4.248 4.350 0.001 0.000 0.190 16 E C 2.271 178.994 176.600 0.206 0.000 0.982 16 E CA 0.841 57.346 56.400 0.174 0.000 0.800 16 E CB -0.400 29.398 29.700 0.163 0.000 0.756 16 E HN 0.495 nan 8.360 nan 0.000 0.449 17 L N 0.792 122.073 121.223 0.098 0.000 2.013 17 L HA -0.241 4.099 4.340 0.001 0.000 0.212 17 L C 2.590 179.510 176.870 0.083 0.000 1.073 17 L CA 1.185 56.073 54.840 0.080 0.000 0.753 17 L CB -0.410 41.667 42.059 0.031 0.000 0.890 17 L HN 0.126 nan 8.230 nan 0.000 0.432 18 L N -1.208 120.038 121.223 0.038 0.000 1.994 18 L HA -0.210 4.131 4.340 0.001 0.000 0.208 18 L C 2.883 179.771 176.870 0.029 0.000 1.071 18 L CA 1.211 56.051 54.840 0.001 0.000 0.745 18 L CB -0.990 41.049 42.059 -0.033 0.000 0.892 18 L HN 0.279 nan 8.230 nan 0.000 0.431 19 A N -0.166 122.696 122.820 0.069 0.000 1.884 19 A HA -0.282 4.038 4.320 0.001 0.000 0.219 19 A C 1.968 179.621 177.584 0.116 0.000 1.197 19 A CA 2.005 54.086 52.037 0.073 0.000 0.637 19 A CB -1.114 17.870 19.000 -0.026 0.000 0.827 19 A HN 0.464 nan 8.150 nan 0.000 0.450 20 Y N -0.428 119.947 120.300 0.124 0.000 2.529 20 Y HA -0.010 4.540 4.550 0.001 0.000 0.290 20 Y C 2.417 178.390 175.900 0.122 0.000 1.177 20 Y CA 0.840 59.020 58.100 0.132 0.000 1.305 20 Y CB -0.100 38.403 38.460 0.073 0.000 1.047 20 Y HN 0.481 nan 8.280 nan 0.000 0.522 21 Q N -0.053 119.849 119.800 0.170 0.000 2.181 21 Q HA -0.222 4.118 4.340 0.001 0.000 0.205 21 Q C 1.494 177.520 176.000 0.043 0.000 0.980 21 Q CA 1.628 57.464 55.803 0.054 0.000 0.862 21 Q CB -0.291 28.410 28.738 -0.062 0.000 0.905 21 Q HN 0.476 nan 8.270 nan 0.000 0.429 22 F N 0.444 120.407 119.950 0.021 0.000 2.045 22 F HA -0.284 4.244 4.527 0.001 0.000 0.297 22 F C 2.169 177.985 175.800 0.025 0.000 1.114 22 F CA 1.786 59.790 58.000 0.006 0.000 1.207 22 F CB -0.451 38.536 39.000 -0.022 0.000 0.964 22 F HN 0.177 nan 8.300 nan 0.000 0.486 23 A N -1.207 121.783 122.820 0.283 0.000 2.460 23 A HA 0.298 4.619 4.320 0.001 0.000 0.258 23 A C 0.429 178.103 177.584 0.150 0.000 1.300 23 A CA -0.030 52.120 52.037 0.188 0.000 0.913 23 A CB -0.254 18.849 19.000 0.171 0.000 1.031 23 A HN 0.064 nan 8.150 nan 0.000 0.512 24 M N 0.721 120.403 119.600 0.137 0.000 2.383 24 M HA 0.407 4.887 4.480 0.001 0.000 0.325 24 M C -2.785 173.559 176.300 0.074 0.000 1.092 24 M CA -2.590 52.769 55.300 0.098 0.000 0.961 24 M CB 0.780 33.438 32.600 0.096 0.000 1.672 24 M HN -0.117 nan 8.290 nan 0.000 0.438 25 P HA 0.112 nan 4.420 nan 0.000 0.268 25 P C -0.660 176.676 177.300 0.059 0.000 1.208 25 P CA -0.369 62.763 63.100 0.054 0.000 0.777 25 P CB 0.365 32.094 31.700 0.048 0.000 0.875 26 V N 3.587 123.538 119.914 0.063 0.000 2.339 26 V HA 0.164 4.285 4.120 0.001 0.000 0.261 26 V C 1.209 177.378 176.094 0.125 0.000 1.058 26 V CA -0.456 61.897 62.300 0.088 0.000 0.897 26 V CB -0.168 31.697 31.823 0.070 0.000 1.052 26 V HN 0.494 nan 8.190 nan 0.000 0.480 27 R N 4.564 125.134 120.500 0.117 0.000 4.164 27 R HA 0.041 4.381 4.340 0.001 0.000 0.195 27 R C 0.942 177.325 176.300 0.139 0.000 1.712 27 R CA -0.406 55.756 56.100 0.103 0.000 1.457 27 R CB -0.017 30.314 30.300 0.051 0.000 1.387 27 R HN 0.902 nan 8.270 nan 0.000 0.785 28 W N 2.895 124.190 121.300 -0.008 0.000 2.595 28 W HA -0.109 4.551 4.660 0.001 0.000 0.257 28 W C 0.803 177.313 176.519 -0.015 0.000 1.267 28 W CA 0.226 57.563 57.345 -0.014 0.000 1.300 28 W CB 0.236 29.686 29.460 -0.017 0.000 1.120 28 W HN 0.351 nan 8.180 nan 0.000 0.618 29 I N 1.597 122.169 120.570 0.003 0.000 2.090 29 I HA -0.310 3.861 4.170 0.001 0.000 0.236 29 I C 2.122 178.138 176.117 -0.169 0.000 1.064 29 I CA 1.962 63.213 61.300 -0.081 0.000 1.324 29 I CB -1.299 36.702 38.000 0.001 0.000 1.044 29 I HN 0.044 nan 8.210 nan 0.000 0.399 30 E N -0.047 120.089 120.200 -0.107 0.000 2.204 30 E HA -0.168 4.182 4.350 0.001 0.000 0.195 30 E C 1.929 178.424 176.600 -0.175 0.000 0.990 30 E CA 1.631 57.968 56.400 -0.105 0.000 0.821 30 E CB -0.321 29.345 29.700 -0.055 0.000 0.750 30 E HN 0.492 nan 8.360 nan 0.000 0.477 31 T N 1.279 115.676 114.554 -0.262 0.000 2.777 31 T HA -0.157 4.193 4.350 0.001 0.000 0.266 31 T C 1.867 176.245 174.700 -0.536 0.000 1.040 31 T CA 0.999 62.877 62.100 -0.370 0.000 1.141 31 T CB -0.144 68.472 68.868 -0.419 0.000 0.868 31 T HN 0.170 nan 8.240 nan 0.000 0.444 32 Q N 0.551 119.904 119.800 -0.745 0.000 2.170 32 Q HA -0.152 4.188 4.340 0.001 0.000 0.203 32 Q C 1.780 177.559 176.000 -0.368 0.000 0.976 32 Q CA 1.449 56.860 55.803 -0.653 0.000 0.858 32 Q CB -0.169 28.189 28.738 -0.634 0.000 0.907 32 Q HN 0.519 nan 8.270 nan 0.000 0.433 33 D N -0.630 119.619 120.400 -0.251 0.000 2.234 33 D HA -0.082 4.558 4.640 0.001 0.000 0.205 33 D C 1.736 177.983 176.300 -0.088 0.000 0.962 33 D CA 0.487 54.428 54.000 -0.098 0.000 0.855 33 D CB 0.183 40.970 40.800 -0.021 0.000 0.951 33 D HN -0.007 nan 8.370 nan 0.000 0.500 34 V N 0.788 120.625 119.914 -0.127 0.000 2.626 34 V HA -0.152 3.969 4.120 0.001 0.000 0.252 34 V C 2.156 178.194 176.094 -0.094 0.000 1.067 34 V CA 1.043 63.285 62.300 -0.095 0.000 1.081 34 V CB -0.260 31.506 31.823 -0.096 0.000 0.686 34 V HN 0.277 nan 8.190 nan 0.000 0.468 35 I N -0.896 119.591 120.570 -0.139 0.000 2.400 35 I HA -0.127 4.043 4.170 0.001 0.000 0.248 35 I C 2.144 178.201 176.117 -0.100 0.000 1.109 35 I CA 1.350 62.578 61.300 -0.119 0.000 1.425 35 I CB -0.108 37.797 38.000 -0.159 0.000 1.094 35 I HN 0.254 nan 8.210 nan 0.000 0.425 36 L N 0.168 121.308 121.223 -0.139 0.000 2.168 36 L HA 0.020 4.361 4.340 0.001 0.000 0.203 36 L C 2.604 179.483 176.870 0.014 0.000 1.078 36 L CA 1.010 55.773 54.840 -0.129 0.000 0.780 36 L CB -0.406 41.375 42.059 -0.462 0.000 0.939 36 L HN 0.171 nan 8.230 nan 0.000 0.451 37 A N -0.568 122.264 122.820 0.019 0.000 1.909 37 A HA -0.087 4.234 4.320 0.001 0.000 0.209 37 A C 2.152 179.709 177.584 -0.045 0.000 1.247 37 A CA 0.617 52.593 52.037 -0.101 0.000 0.660 37 A CB -0.203 18.702 19.000 -0.159 0.000 0.910 37 A HN 0.283 nan 8.150 nan 0.000 0.465 38 E N 0.181 120.365 120.200 -0.028 0.000 2.028 38 E HA -0.091 4.259 4.350 0.001 0.000 0.190 38 E C 1.241 177.845 176.600 0.008 0.000 0.984 38 E CA 1.069 57.464 56.400 -0.009 0.000 0.800 38 E CB -0.007 29.680 29.700 -0.021 0.000 0.758 38 E HN 0.487 nan 8.360 nan 0.000 0.448 39 K N 0.187 120.586 120.400 -0.002 0.000 2.372 39 K HA 0.183 4.503 4.320 0.001 0.000 0.200 39 K C -0.264 176.349 176.600 0.022 0.000 1.022 39 K CA -0.225 56.066 56.287 0.008 0.000 1.125 39 K CB 0.415 32.913 32.500 -0.005 0.000 0.855 39 K HN 0.035 nan 8.250 nan 0.000 0.524 40 R N 2.380 122.900 120.500 0.033 0.000 2.828 40 R HA -0.136 4.204 4.340 0.001 0.000 0.233 40 R C -0.290 176.039 176.300 0.047 0.000 0.821 40 R CA 0.881 57.020 56.100 0.064 0.000 0.563 40 R CB -1.979 28.392 30.300 0.120 0.000 1.117 40 R HN 0.358 nan 8.270 nan 0.000 0.508 41 T N -2.624 111.941 114.554 0.018 0.000 2.870 41 T HA 0.141 4.491 4.350 0.001 0.000 0.300 41 T C 1.080 175.793 174.700 0.021 0.000 0.989 41 T CA -0.601 61.507 62.100 0.015 0.000 1.139 41 T CB 1.372 70.239 68.868 -0.003 0.000 0.920 41 T HN 0.392 nan 8.240 nan 0.000 0.537 42 E N 1.659 121.876 120.200 0.029 0.000 2.442 42 E HA 0.078 4.428 4.350 0.001 0.000 0.195 42 E C 0.955 177.568 176.600 0.022 0.000 1.030 42 E CA 0.081 56.500 56.400 0.031 0.000 0.869 42 E CB 0.358 30.080 29.700 0.038 0.000 0.857 42 E HN 0.523 nan 8.360 nan 0.000 0.505 43 R N 1.635 122.145 120.500 0.017 0.000 2.607 43 R HA 0.277 4.618 4.340 0.001 0.000 0.278 43 R C -1.066 175.239 176.300 0.009 0.000 1.637 43 R CA -0.245 55.863 56.100 0.012 0.000 1.325 43 R CB 0.495 30.806 30.300 0.018 0.000 1.211 43 R HN 0.019 nan 8.270 nan 0.000 0.565 44 I N 4.226 124.798 120.570 0.004 0.000 2.452 44 I HA 0.155 4.326 4.170 0.001 0.000 0.287 44 I C 0.005 176.135 176.117 0.022 0.000 1.079 44 I CA -0.411 60.896 61.300 0.011 0.000 1.387 44 I CB 1.337 39.339 38.000 0.002 0.000 1.404 44 I HN 0.127 nan 8.210 nan 0.000 0.522 45 V N 6.506 126.442 119.914 0.038 0.000 2.495 45 V HA 0.317 4.438 4.120 0.001 0.000 0.298 45 V C 0.032 176.172 176.094 0.077 0.000 1.031 45 V CA -0.677 61.652 62.300 0.049 0.000 0.871 45 V CB 1.976 33.828 31.823 0.047 0.000 0.988 45 V HN 0.720 nan 8.190 nan 0.000 0.432 46 E N 3.948 124.198 120.200 0.083 0.000 2.202 46 E HA 0.646 4.996 4.350 0.001 0.000 0.272 46 E C -1.456 175.217 176.600 0.121 0.000 0.951 46 E CA -0.666 55.789 56.400 0.091 0.000 0.813 46 E CB 1.736 31.479 29.700 0.071 0.000 1.151 46 E HN 0.597 nan 8.360 nan 0.000 0.398 47 I N 3.404 124.028 120.570 0.089 0.000 2.468 47 I HA 0.556 4.726 4.170 0.001 0.000 0.285 47 I C 0.106 176.215 176.117 -0.013 0.000 1.039 47 I CA -0.424 60.921 61.300 0.076 0.000 1.074 47 I CB 1.532 39.568 38.000 0.060 0.000 1.228 47 I HN 0.730 nan 8.210 nan 0.000 0.436 48 G N 6.542 115.322 108.800 -0.033 0.000 2.325 48 G HA2 0.316 4.276 3.960 0.001 0.000 0.295 48 G HA3 0.316 4.276 3.960 0.001 0.000 0.295 48 G C -2.896 171.974 174.900 -0.050 0.000 1.274 48 G CA -0.293 44.767 45.100 -0.066 0.000 0.857 48 G HN 0.292 nan 8.290 nan 0.000 0.499 49 P HA 0.310 nan 4.420 nan 0.000 0.245 49 P C 0.309 177.603 177.300 -0.010 0.000 1.203 49 P CA 0.439 63.521 63.100 -0.030 0.000 0.792 49 P CB 0.805 32.480 31.700 -0.041 0.000 0.997 50 S N -0.083 115.610 115.700 -0.013 0.000 2.618 50 S HA 0.248 4.718 4.470 0.001 0.000 0.277 50 S C -0.931 173.666 174.600 -0.005 0.000 1.138 50 S CA -0.646 57.548 58.200 -0.009 0.000 0.844 50 S CB 1.298 64.485 63.200 -0.022 0.000 1.127 50 S HN 0.102 nan 8.310 nan 0.000 0.474 51 D N 0.855 121.254 120.400 -0.002 0.000 3.134 51 D HA 0.050 4.690 4.640 0.001 0.000 0.248 51 D C 1.270 177.564 176.300 -0.009 0.000 1.273 51 D CA -0.170 53.831 54.000 0.002 0.000 0.904 51 D CB -0.501 40.303 40.800 0.007 0.000 1.089 51 D HN 0.539 nan 8.370 nan 0.000 0.478 52 T N -1.754 112.783 114.554 -0.028 0.000 2.770 52 T HA -0.089 4.261 4.350 0.001 0.000 0.263 52 T C 2.072 176.743 174.700 -0.047 0.000 1.039 52 T CA 0.316 62.389 62.100 -0.046 0.000 1.142 52 T CB -0.402 68.420 68.868 -0.076 0.000 0.868 52 T HN 0.233 nan 8.240 nan 0.000 0.435 53 L N 0.992 122.182 121.223 -0.055 0.000 2.376 53 L HA 0.189 4.529 4.340 0.001 0.000 0.219 53 L C 2.892 179.811 176.870 0.081 0.000 1.133 53 L CA 0.772 55.609 54.840 -0.005 0.000 0.816 53 L CB -0.678 41.373 42.059 -0.014 0.000 0.933 53 L HN 0.503 nan 8.230 nan 0.000 0.449 54 G N -0.333 108.493 108.800 0.043 0.000 2.404 54 G HA2 -0.140 3.820 3.960 0.001 0.000 0.213 54 G HA3 -0.140 3.820 3.960 0.001 0.000 0.213 54 G C 1.509 176.429 174.900 0.033 0.000 1.189 54 G CA 0.577 45.702 45.100 0.041 0.000 0.796 54 G HN 0.430 nan 8.290 nan 0.000 0.532 55 G N 0.094 108.907 108.800 0.022 0.000 2.776 55 G HA2 0.039 4.000 3.960 0.001 0.000 0.209 55 G HA3 0.039 4.000 3.960 0.001 0.000 0.209 55 G C 1.547 176.465 174.900 0.029 0.000 1.145 55 G CA 0.740 45.851 45.100 0.019 0.000 0.791 55 G HN 0.421 nan 8.290 nan 0.000 0.530 56 M N 0.270 119.899 119.600 0.049 0.000 2.325 56 M HA 0.338 4.819 4.480 0.001 0.000 0.265 56 M C 2.588 178.946 176.300 0.097 0.000 1.094 56 M CA 1.287 56.638 55.300 0.085 0.000 1.161 56 M CB 0.241 32.911 32.600 0.118 0.000 1.358 56 M HN 0.176 nan 8.290 nan 0.000 0.446 57 A N 0.010 122.886 122.820 0.092 0.000 2.067 57 A HA -0.019 4.301 4.320 0.001 0.000 0.217 57 A C 1.993 179.560 177.584 -0.028 0.000 1.156 57 A CA 0.883 52.934 52.037 0.024 0.000 0.683 57 A CB -0.448 18.570 19.000 0.031 0.000 0.808 57 A HN 0.507 nan 8.150 nan 0.000 0.455 58 R N -0.610 119.890 120.500 -0.000 0.000 2.090 58 R HA 0.026 4.367 4.340 0.001 0.000 0.228 58 R C 2.288 178.587 176.300 -0.001 0.000 1.110 58 R CA 1.188 57.285 56.100 -0.005 0.000 0.973 58 R CB -0.182 30.122 30.300 0.007 0.000 0.869 58 R HN 0.405 nan 8.270 nan 0.000 0.440 59 R N -0.157 120.349 120.500 0.010 0.000 2.115 59 R HA -0.052 4.288 4.340 0.001 0.000 0.226 59 R C 1.900 178.211 176.300 0.018 0.000 1.100 59 R CA 1.696 57.808 56.100 0.020 0.000 0.980 59 R CB -0.088 30.229 30.300 0.029 0.000 0.875 59 R HN 0.338 nan 8.270 nan 0.000 0.445 60 T N -1.027 113.520 114.554 -0.011 0.000 3.085 60 T HA 0.066 4.416 4.350 0.001 0.000 0.263 60 T C 1.773 176.439 174.700 -0.058 0.000 1.127 60 T CA 0.439 62.517 62.100 -0.035 0.000 1.103 60 T CB 0.035 68.836 68.868 -0.112 0.000 0.921 60 T HN 0.123 nan 8.240 nan 0.000 0.510 61 L N -0.094 121.093 121.223 -0.060 0.000 2.446 61 L HA 0.134 4.474 4.340 0.001 0.000 0.219 61 L C 2.690 179.611 176.870 0.085 0.000 1.116 61 L CA 0.761 55.599 54.840 -0.004 0.000 0.844 61 L CB -0.246 41.795 42.059 -0.030 0.000 0.970 61 L HN 0.324 nan 8.230 nan 0.000 0.457 62 Q N -0.851 118.986 119.800 0.062 0.000 2.226 62 Q HA -0.069 4.272 4.340 0.001 0.000 0.199 62 Q C 2.429 178.474 176.000 0.074 0.000 0.945 62 Q CA 1.333 57.174 55.803 0.063 0.000 0.861 62 Q CB 0.129 28.892 28.738 0.042 0.000 0.953 62 Q HN 0.441 nan 8.270 nan 0.000 0.490 63 S N 0.544 116.289 115.700 0.076 0.000 2.377 63 S HA -0.018 4.453 4.470 0.001 0.000 0.223 63 S C 1.812 176.466 174.600 0.090 0.000 1.030 63 S CA 0.774 59.017 58.200 0.071 0.000 0.970 63 S CB 0.076 63.312 63.200 0.060 0.000 0.830 63 S HN 0.117 nan 8.310 nan 0.000 0.473 64 K N -0.759 119.734 120.400 0.155 0.000 2.273 64 K HA 0.240 4.560 4.320 0.001 0.000 0.206 64 K C 1.011 177.693 176.600 0.136 0.000 1.072 64 K CA 0.404 56.783 56.287 0.153 0.000 0.953 64 K CB -0.067 32.571 32.500 0.230 0.000 1.043 64 K HN 0.320 nan 8.250 nan 0.000 0.477 65 Y N 1.869 122.174 120.300 0.008 0.000 2.477 65 Y HA 0.009 4.559 4.550 0.001 0.000 0.303 65 Y C 1.801 177.746 175.900 0.076 0.000 1.202 65 Y CA 0.123 58.243 58.100 0.034 0.000 1.282 65 Y CB -0.210 38.246 38.460 -0.006 0.000 1.071 65 Y HN 0.150 nan 8.280 nan 0.000 0.510 66 E N 1.305 121.605 120.200 0.165 0.000 2.033 66 E HA -0.242 4.108 4.350 0.001 0.000 0.199 66 E C 2.289 178.948 176.600 0.098 0.000 1.011 66 E CA 1.953 58.421 56.400 0.113 0.000 0.815 66 E CB -0.287 29.458 29.700 0.075 0.000 0.755 66 E HN 0.317 nan 8.360 nan 0.000 0.451 67 A N -0.832 122.034 122.820 0.076 0.000 1.897 67 A HA -0.107 4.213 4.320 0.001 0.000 0.215 67 A C 2.314 179.933 177.584 0.058 0.000 1.181 67 A CA 1.357 53.423 52.037 0.049 0.000 0.620 67 A CB -1.052 17.962 19.000 0.024 0.000 0.821 67 A HN 0.499 nan 8.150 nan 0.000 0.443 68 Y N 1.117 121.392 120.300 -0.042 0.000 2.128 68 Y HA -0.289 4.261 4.550 0.001 0.000 0.284 68 Y C 1.901 177.805 175.900 0.007 0.000 1.154 68 Y CA 2.272 60.339 58.100 -0.054 0.000 1.149 68 Y CB -0.111 38.253 38.460 -0.160 0.000 0.976 68 Y HN 0.369 nan 8.280 nan 0.000 0.505 69 D N -0.183 120.390 120.400 0.289 0.000 2.117 69 D HA -0.135 4.505 4.640 0.001 0.000 0.198 69 D C 2.238 178.583 176.300 0.075 0.000 0.982 69 D CA 1.430 55.556 54.000 0.209 0.000 0.828 69 D CB -0.563 40.362 40.800 0.208 0.000 0.967 69 D HN 0.457 nan 8.370 nan 0.000 0.464 70 A N 0.610 123.462 122.820 0.054 0.000 1.930 70 A HA 0.028 4.349 4.320 0.001 0.000 0.217 70 A C 2.193 179.765 177.584 -0.019 0.000 1.175 70 A CA 2.010 54.058 52.037 0.019 0.000 0.627 70 A CB -0.598 18.415 19.000 0.022 0.000 0.815 70 A HN 0.236 nan 8.150 nan 0.000 0.443 71 A N -1.029 121.757 122.820 -0.057 0.000 1.843 71 A HA 0.004 4.324 4.320 0.001 0.000 0.213 71 A C 2.210 179.717 177.584 -0.130 0.000 1.202 71 A CA 1.949 53.927 52.037 -0.100 0.000 0.607 71 A CB -1.240 17.677 19.000 -0.139 0.000 0.847 71 A HN 0.384 nan 8.150 nan 0.000 0.445 72 T N -0.145 114.282 114.554 -0.212 0.000 2.977 72 T HA -0.007 4.343 4.350 0.001 0.000 0.271 72 T C 0.990 175.644 174.700 -0.077 0.000 1.105 72 T CA 1.424 63.401 62.100 -0.205 0.000 1.116 72 T CB -0.287 68.375 68.868 -0.343 0.000 0.878 72 T HN 0.908 nan 8.240 nan 0.000 0.509 73 S N -0.144 115.532 115.700 -0.039 0.000 3.586 73 S HA -0.161 4.309 4.470 0.001 0.000 0.309 73 S C 0.199 174.812 174.600 0.022 0.000 1.195 73 S CA 0.111 58.308 58.200 -0.005 0.000 0.895 73 S CB -2.129 61.064 63.200 -0.011 0.000 0.983 73 S HN 0.358 nan 8.310 nan 0.000 0.563 74 V N 2.884 122.826 119.914 0.048 0.000 2.479 74 V HA 0.194 4.314 4.120 0.001 0.000 0.281 74 V C 0.891 177.028 176.094 0.072 0.000 1.031 74 V CA 0.360 62.710 62.300 0.083 0.000 1.038 74 V CB 0.979 32.899 31.823 0.162 0.000 0.981 74 V HN 0.544 nan 8.190 nan 0.000 0.478 75 Q N 5.736 125.569 119.800 0.055 0.000 2.279 75 Q HA 0.524 4.864 4.340 0.001 0.000 0.256 75 Q C -0.396 175.631 176.000 0.045 0.000 0.937 75 Q CA -0.244 55.587 55.803 0.045 0.000 0.933 75 Q CB 1.421 30.181 28.738 0.036 0.000 1.189 75 Q HN 0.608 nan 8.270 nan 0.000 0.417 76 R N 2.007 122.530 120.500 0.038 0.000 2.561 76 R HA 0.315 4.656 4.340 0.001 0.000 0.297 76 R C -0.970 175.340 176.300 0.016 0.000 0.969 76 R CA -0.579 55.537 56.100 0.027 0.000 0.879 76 R CB 2.058 32.373 30.300 0.025 0.000 1.178 76 R HN 0.538 nan 8.270 nan 0.000 0.445 77 Q N 4.131 123.937 119.800 0.009 0.000 2.337 77 Q HA 0.339 4.679 4.340 0.001 0.000 0.264 77 Q C -1.252 174.746 176.000 -0.003 0.000 1.007 77 Q CA -0.402 55.403 55.803 0.002 0.000 0.727 77 Q CB 1.278 30.017 28.738 0.002 0.000 1.256 77 Q HN 0.614 nan 8.270 nan 0.000 0.467 78 I N 5.527 126.094 120.570 -0.004 0.000 2.297 78 I HA 0.279 4.450 4.170 0.001 0.000 0.291 78 I C -0.608 175.507 176.117 -0.003 0.000 1.033 78 I CA -0.431 60.868 61.300 -0.001 0.000 1.253 78 I CB 0.766 38.767 38.000 0.002 0.000 1.396 78 I HN 0.465 nan 8.210 nan 0.000 0.476 79 L N 6.834 128.055 121.223 -0.002 0.000 2.319 79 L HA 0.414 4.755 4.340 0.001 0.000 0.281 79 L C -0.129 176.746 176.870 0.009 0.000 1.005 79 L CA -0.541 54.292 54.840 -0.013 0.000 0.828 79 L CB 1.788 43.824 42.059 -0.037 0.000 1.227 79 L HN 0.639 nan 8.230 nan 0.000 0.415 80 C N 2.060 121.366 119.300 0.009 0.000 2.520 80 C HA 0.166 4.626 4.460 0.001 0.000 0.376 80 C C 1.673 176.692 174.990 0.047 0.000 1.268 80 C CA -0.277 58.766 59.018 0.041 0.000 2.414 80 C CB 0.652 28.411 27.740 0.032 0.000 2.521 80 C HN 0.864 nan 8.230 nan 0.000 0.618 81 Y N 2.008 122.299 120.300 -0.015 0.000 2.133 81 Y HA -0.078 4.472 4.550 0.001 0.000 0.287 81 Y C 2.402 178.273 175.900 -0.048 0.000 1.134 81 Y CA 2.653 60.740 58.100 -0.021 0.000 1.133 81 Y CB -0.455 38.000 38.460 -0.008 0.000 0.987 81 Y HN 0.859 nan 8.280 nan 0.000 0.502 82 C N 0.921 120.337 119.300 0.192 0.000 2.491 82 C HA -0.167 4.293 4.460 0.001 0.000 0.283 82 C C 2.524 177.508 174.990 -0.009 0.000 1.238 82 C CA 1.317 60.393 59.018 0.097 0.000 1.735 82 C CB -1.259 26.526 27.740 0.075 0.000 2.080 82 C HN 0.490 nan 8.230 nan 0.000 0.463 83 K N 1.169 121.564 120.400 -0.009 0.000 1.978 83 K HA -0.125 4.195 4.320 0.001 0.000 0.214 83 K C 0.658 177.222 176.600 -0.060 0.000 1.049 83 K CA 1.484 57.754 56.287 -0.029 0.000 0.939 83 K CB -0.495 31.995 32.500 -0.016 0.000 0.721 83 K HN 0.567 nan 8.250 nan 0.000 0.441 84 D N 0.970 121.329 120.400 -0.069 0.000 3.038 84 D HA 0.121 4.761 4.640 0.001 0.000 0.243 84 D C 0.825 177.029 176.300 -0.159 0.000 1.245 84 D CA 0.051 53.995 54.000 -0.092 0.000 0.871 84 D CB 0.572 41.331 40.800 -0.069 0.000 1.089 84 D HN 0.208 nan 8.370 nan 0.000 0.464 85 A N 1.279 123.980 122.820 -0.198 0.000 1.865 85 A HA -0.225 4.095 4.320 0.001 0.000 0.217 85 A C 2.102 179.485 177.584 -0.334 0.000 1.191 85 A CA 1.160 52.994 52.037 -0.338 0.000 0.623 85 A CB -0.072 18.747 19.000 -0.302 0.000 0.826 85 A HN 0.162 nan 8.150 nan 0.000 0.444 86 K N -0.357 119.917 120.400 -0.211 0.000 2.228 86 K HA -0.062 4.259 4.320 0.001 0.000 0.202 86 K C 1.691 178.227 176.600 -0.106 0.000 1.051 86 K CA 1.177 57.375 56.287 -0.148 0.000 0.960 86 K CB -0.088 32.358 32.500 -0.091 0.000 0.743 86 K HN 0.642 nan 8.250 nan 0.000 0.458 87 E N 0.776 120.897 120.200 -0.131 0.000 2.274 87 E HA -0.086 4.264 4.350 0.001 0.000 0.194 87 E C 1.800 178.234 176.600 -0.277 0.000 0.996 87 E CA 0.477 56.779 56.400 -0.164 0.000 0.840 87 E CB 0.072 29.696 29.700 -0.127 0.000 0.772 87 E HN 0.194 nan 8.360 nan 0.000 0.491 88 I N 0.273 120.731 120.570 -0.187 0.000 2.233 88 I HA -0.210 3.961 4.170 0.001 0.000 0.243 88 I C 1.557 177.637 176.117 -0.061 0.000 1.093 88 I CA 1.394 62.614 61.300 -0.134 0.000 1.380 88 I CB -0.731 37.258 38.000 -0.019 0.000 1.067 88 I HN 0.132 nan 8.210 nan 0.000 0.413 89 Y N -0.082 120.085 120.300 -0.221 0.000 2.462 89 Y HA 0.068 4.619 4.550 0.001 0.000 0.293 89 Y C 0.011 175.933 175.900 0.036 0.000 1.195 89 Y CA -1.206 56.847 58.100 -0.078 0.000 1.276 89 Y CB -1.221 37.204 38.460 -0.059 0.000 1.082 89 Y HN 0.095 nan 8.280 nan 0.000 0.514 90 Y N -0.303 120.059 120.300 0.103 0.000 3.108 90 Y HA -0.289 4.262 4.550 0.001 0.000 0.208 90 Y C -0.061 175.870 175.900 0.051 0.000 1.245 90 Y CA 0.424 58.555 58.100 0.052 0.000 1.171 90 Y CB -1.491 36.985 38.460 0.026 0.000 1.331 90 Y HN 0.161 nan 8.280 nan 0.000 0.534 91 D N 0.442 120.928 120.400 0.144 0.000 2.441 91 D HA 0.640 5.280 4.640 0.001 0.000 0.231 91 D C -0.705 175.629 176.300 0.057 0.000 1.073 91 D CA -0.272 53.786 54.000 0.097 0.000 0.850 91 D CB 0.723 41.569 40.800 0.076 0.000 1.062 91 D HN -0.011 nan 8.370 nan 0.000 0.524 92 V N 2.254 122.203 119.914 0.059 0.000 3.102 92 V HA 0.555 4.675 4.120 0.001 0.000 0.312 92 V C 0.017 176.130 176.094 0.031 0.000 1.135 92 V CA -1.068 61.255 62.300 0.038 0.000 1.022 92 V CB 2.038 33.888 31.823 0.044 0.000 1.056 92 V HN 0.356 nan 8.190 nan 0.000 0.436 93 E N 1.437 121.649 120.200 0.020 0.000 2.248 93 E HA 0.658 5.008 4.350 0.001 0.000 0.272 93 E C -2.120 174.489 176.600 0.016 0.000 1.008 93 E CA -1.183 55.227 56.400 0.016 0.000 0.856 93 E CB 0.571 30.277 29.700 0.011 0.000 1.120 93 E HN 0.640 nan 8.360 nan 0.000 0.397 326 D N 2.799 123.201 120.400 0.004 0.000 2.352 326 D HA 0.160 4.800 4.640 0.001 0.000 0.232 326 D C 1.546 177.848 176.300 0.003 0.000 1.055 326 D CA 0.948 54.951 54.000 0.006 0.000 0.891 326 D CB 0.526 41.330 40.800 0.007 0.000 0.897 326 D HN 0.398 nan 8.370 nan 0.000 0.529 327 A N 0.457 123.277 122.820 0.000 0.000 1.898 327 A HA -0.031 4.289 4.320 0.001 0.000 0.214 327 A C 2.072 179.653 177.584 -0.005 0.000 1.183 327 A CA 0.388 52.423 52.037 -0.003 0.000 0.622 327 A CB -0.438 18.559 19.000 -0.004 0.000 0.824 327 A HN 0.193 nan 8.150 nan 0.000 0.444 328 L N 0.493 121.714 121.223 -0.004 0.000 2.622 328 L HA -0.035 4.305 4.340 0.001 0.000 0.233 328 L C 1.675 178.544 176.870 -0.003 0.000 1.156 328 L CA 1.342 56.179 54.840 -0.005 0.000 0.866 328 L CB -0.082 41.975 42.059 -0.003 0.000 0.980 328 L HN 0.677 nan 8.230 nan 0.000 0.448 329 T N -7.931 106.624 114.554 0.002 0.000 3.046 329 T HA 0.071 4.422 4.350 0.001 0.000 0.270 329 T C 1.464 176.171 174.700 0.011 0.000 0.920 329 T CA -0.445 61.662 62.100 0.011 0.000 0.874 329 T CB 0.090 68.973 68.868 0.026 0.000 1.214 329 T HN -0.038 nan 8.240 nan 0.000 0.536 330 K N 1.257 121.659 120.400 0.004 0.000 2.362 330 K HA -0.031 4.289 4.320 0.001 0.000 0.200 330 K C 1.620 178.213 176.600 -0.013 0.000 1.046 330 K CA 1.052 57.341 56.287 0.002 0.000 0.952 330 K CB -0.045 32.455 32.500 -0.000 0.000 0.753 330 K HN 0.202 nan 8.250 nan 0.000 0.466 331 D N 0.727 121.112 120.400 -0.025 0.000 2.084 331 D HA -0.136 4.505 4.640 0.001 0.000 0.196 331 D C 1.919 178.165 176.300 -0.090 0.000 0.985 331 D CA 1.040 55.009 54.000 -0.051 0.000 0.826 331 D CB 0.189 40.958 40.800 -0.051 0.000 0.978 331 D HN 0.084 nan 8.370 nan 0.000 0.456 332 Q N 0.549 120.298 119.800 -0.084 0.000 1.967 332 Q HA -0.211 4.129 4.340 0.001 0.000 0.210 332 Q C 2.402 178.339 176.000 -0.106 0.000 1.005 332 Q CA 1.380 57.097 55.803 -0.143 0.000 0.862 332 Q CB -0.542 28.207 28.738 0.019 0.000 0.939 332 Q HN 0.292 nan 8.270 nan 0.000 0.417 333 R N 0.479 121.010 120.500 0.052 0.000 2.179 333 R HA -0.249 4.092 4.340 0.001 0.000 0.238 333 R C 2.384 178.712 176.300 0.048 0.000 1.119 333 R CA 2.034 58.196 56.100 0.105 0.000 0.915 333 R CB -0.973 29.368 30.300 0.068 0.000 0.870 333 R HN 0.426 nan 8.270 nan 0.000 0.432 334 A N 1.081 123.900 122.820 -0.002 0.000 1.940 334 A HA -0.254 4.067 4.320 0.001 0.000 0.221 334 A C 2.082 179.640 177.584 -0.043 0.000 1.190 334 A CA 1.964 53.990 52.037 -0.017 0.000 0.647 334 A CB -0.797 18.185 19.000 -0.030 0.000 0.821 334 A HN 0.344 nan 8.150 nan 0.000 0.457 335 L N -1.116 120.033 121.223 -0.124 0.000 1.955 335 L HA -0.090 4.250 4.340 0.001 0.000 0.213 335 L C 2.275 179.064 176.870 -0.135 0.000 1.072 335 L CA 2.225 56.940 54.840 -0.207 0.000 0.755 335 L CB -1.355 40.453 42.059 -0.419 0.000 0.888 335 L HN 0.398 nan 8.230 nan 0.000 0.432 336 F N 0.184 120.130 119.950 -0.008 0.000 2.161 336 F HA -0.241 4.286 4.527 0.001 0.000 0.300 336 F C 2.630 178.426 175.800 -0.006 0.000 1.089 336 F CA 1.592 59.587 58.000 -0.008 0.000 1.282 336 F CB -0.373 38.622 39.000 -0.008 0.000 1.010 336 F HN 0.186 nan 8.300 nan 0.000 0.485 337 K N 0.568 121.069 120.400 0.169 0.000 2.063 337 K HA -0.246 4.075 4.320 0.001 0.000 0.208 337 K C 1.948 178.588 176.600 0.066 0.000 1.048 337 K CA 1.693 58.038 56.287 0.096 0.000 0.928 337 K CB -0.109 32.428 32.500 0.061 0.000 0.713 337 K HN 0.336 nan 8.250 nan 0.000 0.442 338 Q N 0.061 119.889 119.800 0.046 0.000 2.079 338 Q HA -0.213 4.127 4.340 0.001 0.000 0.200 338 Q C 2.216 178.243 176.000 0.044 0.000 0.974 338 Q CA 1.631 57.452 55.803 0.030 0.000 0.840 338 Q CB -0.093 28.648 28.738 0.006 0.000 0.898 338 Q HN 0.404 nan 8.270 nan 0.000 0.430 339 Q N 0.739 120.580 119.800 0.068 0.000 2.152 339 Q HA -0.192 4.149 4.340 0.001 0.000 0.206 339 Q C 2.002 178.049 176.000 0.077 0.000 0.985 339 Q CA 1.044 56.897 55.803 0.085 0.000 0.863 339 Q CB -0.090 28.747 28.738 0.165 0.000 0.904 339 Q HN 0.430 nan 8.270 nan 0.000 0.422 340 L N 0.273 121.546 121.223 0.083 0.000 1.994 340 L HA -0.208 4.132 4.340 0.001 0.000 0.208 340 L C 2.180 179.079 176.870 0.049 0.000 1.071 340 L CA 1.378 56.253 54.840 0.059 0.000 0.745 340 L CB -0.266 41.825 42.059 0.053 0.000 0.892 340 L HN 0.263 nan 8.230 nan 0.000 0.431 341 E N 0.218 120.445 120.200 0.045 0.000 2.130 341 E HA -0.263 4.088 4.350 0.001 0.000 0.196 341 E C 2.149 178.777 176.600 0.047 0.000 0.998 341 E CA 1.679 58.103 56.400 0.039 0.000 0.806 341 E CB -0.212 29.507 29.700 0.031 0.000 0.738 341 E HN 0.627 nan 8.360 nan 0.000 0.459 342 I N 0.563 121.162 120.570 0.048 0.000 2.286 342 I HA -0.188 3.982 4.170 0.001 0.000 0.245 342 I C 2.514 178.681 176.117 0.084 0.000 1.104 342 I CA 0.730 62.063 61.300 0.054 0.000 1.397 342 I CB -0.454 37.565 38.000 0.032 0.000 1.072 342 I HN 0.037 nan 8.210 nan 0.000 0.417 343 I N 1.545 122.158 120.570 0.073 0.000 2.127 343 I HA -0.289 3.882 4.170 0.001 0.000 0.241 343 I C 3.008 179.211 176.117 0.143 0.000 1.075 343 I CA 1.464 62.828 61.300 0.106 0.000 1.334 343 I CB -0.713 37.328 38.000 0.069 0.000 1.040 343 I HN 0.168 nan 8.210 nan 0.000 0.405 344 A N 1.093 123.966 122.820 0.088 0.000 1.869 344 A HA -0.313 4.007 4.320 0.001 0.000 0.218 344 A C 2.464 180.090 177.584 0.071 0.000 1.203 344 A CA 2.371 54.447 52.037 0.066 0.000 0.638 344 A CB -0.927 18.099 19.000 0.044 0.000 0.831 344 A HN 0.373 nan 8.150 nan 0.000 0.450 345 R N -2.240 118.306 120.500 0.077 0.000 2.127 345 R HA -0.205 4.136 4.340 0.001 0.000 0.238 345 R C 2.029 178.384 176.300 0.092 0.000 1.134 345 R CA 1.963 58.104 56.100 0.069 0.000 0.975 345 R CB -0.388 29.952 30.300 0.067 0.000 0.865 345 R HN 0.727 nan 8.270 nan 0.000 0.447 346 Y N 0.242 120.546 120.300 0.006 0.000 2.365 346 Y HA 0.026 4.576 4.550 0.001 0.000 0.293 346 Y C 1.424 177.326 175.900 0.004 0.000 1.119 346 Y CA 1.033 59.136 58.100 0.005 0.000 1.203 346 Y CB 0.119 38.583 38.460 0.006 0.000 1.026 346 Y HN -0.011 nan 8.280 nan 0.000 0.549 347 L N 0.685 121.899 121.223 -0.016 0.000 2.599 347 L HA -0.017 4.323 4.340 0.001 0.000 0.230 347 L C 0.469 177.281 176.870 -0.098 0.000 1.141 347 L CA 0.422 55.204 54.840 -0.097 0.000 0.877 347 L CB -0.323 41.752 42.059 0.027 0.000 1.009 347 L HN 0.020 nan 8.230 nan 0.000 0.447 348 K N 1.203 121.558 120.400 -0.074 0.000 3.150 348 K HA -0.186 4.134 4.320 0.001 0.000 0.267 348 K C -0.231 176.352 176.600 -0.029 0.000 1.028 348 K CA 1.027 57.283 56.287 -0.053 0.000 0.753 348 K CB -1.745 30.708 32.500 -0.078 0.000 1.288 348 K HN 0.536 nan 8.250 nan 0.000 0.473 349 M N -1.222 118.372 119.600 -0.010 0.000 2.134 349 M HA 0.385 4.865 4.480 0.001 0.000 0.310 349 M C -0.440 175.863 176.300 0.005 0.000 0.966 349 M CA -0.832 54.467 55.300 -0.003 0.000 0.922 349 M CB 1.996 34.597 32.600 0.001 0.000 1.537 349 M HN -0.094 nan 8.290 nan 0.000 0.424 350 D N 3.884 124.286 120.400 0.004 0.000 2.382 350 D HA 0.155 4.795 4.640 0.001 0.000 0.259 350 D C 0.681 176.986 176.300 0.008 0.000 1.224 350 D CA 0.033 54.037 54.000 0.007 0.000 0.894 350 D CB 0.897 41.701 40.800 0.006 0.000 1.127 350 D HN 0.848 nan 8.370 nan 0.000 0.487 351 L N 3.530 124.759 121.223 0.009 0.000 2.027 351 L HA -0.097 4.244 4.340 0.001 0.000 0.206 351 L C 1.918 178.789 176.870 0.002 0.000 1.074 351 L CA 1.015 55.859 54.840 0.006 0.000 0.745 351 L CB -0.100 41.964 42.059 0.008 0.000 0.898 351 L HN 0.341 nan 8.230 nan 0.000 0.433 352 R N -0.496 120.006 120.500 0.003 0.000 2.426 352 R HA 0.179 4.519 4.340 0.001 0.000 0.263 352 R C 1.804 178.108 176.300 0.008 0.000 0.961 352 R CA 0.290 56.390 56.100 -0.001 0.000 1.086 352 R CB 0.144 30.443 30.300 -0.002 0.000 1.186 352 R HN 0.198 nan 8.270 nan 0.000 0.537 353 A N 0.387 123.213 122.820 0.011 0.000 2.121 353 A HA -0.015 4.306 4.320 0.001 0.000 0.218 353 A C 2.051 179.652 177.584 0.029 0.000 1.154 353 A CA 1.401 53.449 52.037 0.019 0.000 0.679 353 A CB -0.406 18.603 19.000 0.015 0.000 0.795 353 A HN 0.445 nan 8.150 nan 0.000 0.458 354 G N 0.296 109.110 108.800 0.023 0.000 2.404 354 G HA2 -0.161 3.799 3.960 0.001 0.000 0.214 354 G HA3 -0.161 3.799 3.960 0.001 0.000 0.214 354 G C 0.993 175.927 174.900 0.057 0.000 1.189 354 G CA 1.122 46.243 45.100 0.035 0.000 0.789 354 G HN 0.524 nan 8.290 nan 0.000 0.533 355 D N 0.398 120.808 120.400 0.016 0.000 2.178 355 D HA 0.007 4.647 4.640 0.001 0.000 0.202 355 D C 2.382 178.739 176.300 0.095 0.000 0.974 355 D CA 0.665 54.666 54.000 0.002 0.000 0.841 355 D CB 0.086 40.845 40.800 -0.069 0.000 0.953 355 D HN 0.248 nan 8.370 nan 0.000 0.478 356 K N 0.593 121.035 120.400 0.069 0.000 2.002 356 K HA -0.049 4.272 4.320 0.001 0.000 0.209 356 K C 2.195 178.853 176.600 0.097 0.000 1.048 356 K CA 1.233 57.563 56.287 0.072 0.000 0.930 356 K CB -0.227 32.298 32.500 0.043 0.000 0.714 356 K HN 0.111 nan 8.250 nan 0.000 0.438 357 A N 0.985 123.861 122.820 0.092 0.000 2.019 357 A HA -0.155 4.165 4.320 0.001 0.000 0.219 357 A C 1.942 179.594 177.584 0.113 0.000 1.164 357 A CA 0.994 53.080 52.037 0.081 0.000 0.644 357 A CB -0.625 18.411 19.000 0.060 0.000 0.805 357 A HN 0.392 nan 8.150 nan 0.000 0.449 358 F N 0.349 120.298 119.950 -0.002 0.000 2.060 358 F HA -0.156 4.371 4.527 0.001 0.000 0.295 358 F C 2.203 178.002 175.800 -0.001 0.000 1.120 358 F CA 2.034 60.033 58.000 -0.002 0.000 1.205 358 F CB -0.419 38.580 39.000 -0.002 0.000 0.986 358 F HN 0.021 nan 8.300 nan 0.000 0.470 359 V N 1.220 121.421 119.914 0.478 0.000 2.250 359 V HA -0.451 3.670 4.120 0.001 0.000 0.253 359 V C 2.772 178.891 176.094 0.043 0.000 1.065 359 V CA 2.250 64.706 62.300 0.260 0.000 1.039 359 V CB -1.610 30.329 31.823 0.193 0.000 0.647 359 V HN 0.609 nan 8.190 nan 0.000 0.446 360 A N 0.002 122.844 122.820 0.037 0.000 1.873 360 A HA -0.288 4.032 4.320 0.001 0.000 0.218 360 A C 2.562 180.115 177.584 -0.052 0.000 1.193 360 A CA 2.952 54.987 52.037 -0.003 0.000 0.629 360 A CB -1.053 17.952 19.000 0.008 0.000 0.826 360 A HN 0.744 nan 8.150 nan 0.000 0.447 361 S N -0.979 114.666 115.700 -0.091 0.000 2.447 361 S HA -0.150 4.320 4.470 0.001 0.000 0.233 361 S C 1.701 176.195 174.600 -0.176 0.000 1.006 361 S CA 1.320 59.446 58.200 -0.124 0.000 0.957 361 S CB -0.408 62.710 63.200 -0.136 0.000 0.773 361 S HN 0.625 nan 8.310 nan 0.000 0.507 362 Q N -0.330 119.321 119.800 -0.247 0.000 2.444 362 Q HA 0.137 4.478 4.340 0.001 0.000 0.206 362 Q C 1.317 177.251 176.000 -0.110 0.000 0.948 362 Q CA 0.467 56.126 55.803 -0.239 0.000 0.946 362 Q CB 0.170 28.686 28.738 -0.370 0.000 1.027 362 Q HN 0.567 nan 8.270 nan 0.000 0.513 363 E N -0.493 119.662 120.200 -0.075 0.000 2.201 363 E HA 0.039 4.389 4.350 0.001 0.000 0.193 363 E C 1.719 178.297 176.600 -0.037 0.000 0.957 363 E CA 0.599 56.975 56.400 -0.039 0.000 0.858 363 E CB 0.243 29.931 29.700 -0.020 0.000 0.816 363 E HN 0.012 nan 8.360 nan 0.000 0.475 364 S N 0.528 116.201 115.700 -0.045 0.000 2.402 364 S HA -0.136 4.335 4.470 0.001 0.000 0.229 364 S C 1.728 176.304 174.600 -0.039 0.000 1.021 364 S CA 0.830 59.008 58.200 -0.037 0.000 0.974 364 S CB -0.158 63.019 63.200 -0.039 0.000 0.800 364 S HN 0.287 nan 8.310 nan 0.000 0.484 365 Q N 0.519 120.284 119.800 -0.059 0.000 2.436 365 Q HA 0.009 4.349 4.340 0.001 0.000 0.209 365 Q C 1.648 177.625 176.000 -0.038 0.000 0.965 365 Q CA 0.775 56.544 55.803 -0.057 0.000 0.910 365 Q CB 0.073 28.758 28.738 -0.089 0.000 0.980 365 Q HN 0.462 nan 8.270 nan 0.000 0.491 366 K N -0.861 119.520 120.400 -0.032 0.000 2.211 366 K HA 0.054 4.374 4.320 0.001 0.000 0.201 366 K C 1.921 178.516 176.600 -0.008 0.000 1.052 366 K CA 0.661 56.937 56.287 -0.017 0.000 0.973 366 K CB 0.147 32.638 32.500 -0.015 0.000 0.766 366 K HN 0.078 nan 8.250 nan 0.000 0.466 367 A N 1.554 124.368 122.820 -0.009 0.000 1.933 367 A HA -0.110 4.210 4.320 0.001 0.000 0.218 367 A C 2.020 179.610 177.584 0.010 0.000 1.175 367 A CA 1.101 53.138 52.037 -0.001 0.000 0.628 367 A CB -0.476 18.522 19.000 -0.003 0.000 0.814 367 A HN 0.100 nan 8.150 nan 0.000 0.444 368 L N -1.284 119.943 121.223 0.007 0.000 1.961 368 L HA -0.216 4.125 4.340 0.001 0.000 0.209 368 L C 2.846 179.735 176.870 0.032 0.000 1.075 368 L CA 1.991 56.843 54.840 0.020 0.000 0.749 368 L CB -1.016 41.046 42.059 0.004 0.000 0.890 368 L HN 0.476 nan 8.230 nan 0.000 0.433 369 Q N 0.291 120.101 119.800 0.017 0.000 2.217 369 Q HA -0.228 4.112 4.340 0.001 0.000 0.209 369 Q C 1.986 178.004 176.000 0.031 0.000 0.988 369 Q CA 2.083 57.899 55.803 0.022 0.000 0.878 369 Q CB -0.211 28.532 28.738 0.008 0.000 0.909 369 Q HN 0.474 nan 8.270 nan 0.000 0.424 370 A N 0.157 122.991 122.820 0.023 0.000 1.835 370 A HA -0.297 4.024 4.320 0.001 0.000 0.215 370 A C 2.071 179.674 177.584 0.031 0.000 1.199 370 A CA 1.835 53.883 52.037 0.019 0.000 0.615 370 A CB -1.032 17.973 19.000 0.007 0.000 0.838 370 A HN 0.620 nan 8.150 nan 0.000 0.444 371 Q N -0.601 119.227 119.800 0.046 0.000 2.061 371 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 371 Q C 1.976 178.077 176.000 0.169 0.000 0.984 371 Q CA 1.855 57.700 55.803 0.071 0.000 0.846 371 Q CB -0.342 28.457 28.738 0.101 0.000 0.902 371 Q HN 0.610 nan 8.270 nan 0.000 0.421 372 L N 0.523 121.862 121.223 0.193 0.000 2.353 372 L HA -0.157 4.183 4.340 0.001 0.000 0.220 372 L C 1.032 178.019 176.870 0.196 0.000 1.133 372 L CA 1.332 56.323 54.840 0.251 0.000 0.798 372 L CB -0.088 42.044 42.059 0.121 0.000 0.922 372 L HN 0.237 nan 8.230 nan 0.000 0.445 373 D N -0.775 119.693 120.400 0.113 0.000 2.323 373 D HA -0.087 4.554 4.640 0.001 0.000 0.209 373 D C 1.890 178.229 176.300 0.065 0.000 0.973 373 D CA 0.583 54.630 54.000 0.078 0.000 0.874 373 D CB 0.341 41.165 40.800 0.040 0.000 0.930 373 D HN 0.322 nan 8.370 nan 0.000 0.521 374 L N -0.721 120.526 121.223 0.039 0.000 2.007 374 L HA -0.026 4.314 4.340 0.001 0.000 0.205 374 L C 1.881 178.747 176.870 -0.007 0.000 1.073 374 L CA 1.588 56.394 54.840 -0.057 0.000 0.744 374 L CB -0.784 41.155 42.059 -0.199 0.000 0.898 374 L HN 0.008 nan 8.230 nan 0.000 0.435 375 W N 0.066 121.390 121.300 0.040 0.000 2.304 375 W HA -0.275 4.386 4.660 0.001 0.000 0.315 375 W C 2.650 179.227 176.519 0.097 0.000 1.233 375 W CA 1.356 58.739 57.345 0.063 0.000 1.261 375 W CB -0.548 28.899 29.460 -0.022 0.000 1.150 375 W HN 0.238 nan 8.180 nan 0.000 0.494 376 Q N -0.474 119.499 119.800 0.288 0.000 2.234 376 Q HA -0.139 4.202 4.340 0.001 0.000 0.206 376 Q C 2.201 178.279 176.000 0.131 0.000 0.980 376 Q CA 1.773 57.684 55.803 0.179 0.000 0.869 376 Q CB -0.741 28.069 28.738 0.119 0.000 0.912 376 Q HN 0.436 nan 8.270 nan 0.000 0.436 377 A N 0.144 123.022 122.820 0.098 0.000 2.044 377 A HA -0.011 4.309 4.320 0.001 0.000 0.213 377 A C 1.696 179.278 177.584 -0.003 0.000 1.169 377 A CA 0.300 52.358 52.037 0.035 0.000 0.724 377 A CB 0.230 19.233 19.000 0.005 0.000 0.840 377 A HN 0.091 nan 8.150 nan 0.000 0.463 378 E N -0.758 119.446 120.200 0.007 0.000 2.478 378 E HA -0.002 4.349 4.350 0.001 0.000 0.194 378 E C 0.501 176.857 176.600 -0.406 0.000 1.045 378 E CA 0.708 57.007 56.400 -0.170 0.000 0.868 378 E CB 0.074 29.649 29.700 -0.207 0.000 0.885 378 E HN 0.836 nan 8.360 nan 0.000 0.505 379 H N -1.414 117.593 119.070 -0.105 0.000 3.436 379 H HA 0.308 4.864 4.556 0.001 0.000 0.244 379 H C 0.754 176.037 175.328 -0.074 0.000 1.009 379 H CA 0.475 56.385 56.048 -0.231 0.000 1.129 379 H CB 1.100 30.630 29.762 -0.386 0.000 1.473 379 H HN 0.177 nan 8.280 nan 0.000 0.510 380 G N 1.013 109.887 108.800 0.125 0.000 2.814 380 G HA2 -0.258 3.702 3.960 0.001 0.000 0.677 380 G HA3 -0.258 3.702 3.960 0.001 0.000 0.677 380 G C -0.058 174.936 174.900 0.157 0.000 1.429 380 G CA 0.066 45.234 45.100 0.113 0.000 0.868 380 G HN 0.239 nan 8.290 nan 0.000 0.553 381 D N -0.087 120.379 120.400 0.110 0.000 2.084 381 D HA -0.104 4.537 4.640 0.001 0.000 0.196 381 D C 2.742 179.102 176.300 0.101 0.000 0.985 381 D CA 1.685 55.741 54.000 0.093 0.000 0.826 381 D CB -0.150 40.684 40.800 0.056 0.000 0.978 381 D HN 0.547 nan 8.370 nan 0.000 0.456 382 I N 0.051 120.679 120.570 0.096 0.000 2.248 382 I HA -0.301 3.869 4.170 0.001 0.000 0.248 382 I C 2.456 178.626 176.117 0.089 0.000 1.107 382 I CA 1.102 62.446 61.300 0.073 0.000 1.373 382 I CB -0.580 37.459 38.000 0.066 0.000 1.055 382 I HN 0.003 nan 8.210 nan 0.000 0.418 383 Y N 2.084 122.404 120.300 0.035 0.000 2.089 383 Y HA -0.269 4.281 4.550 0.001 0.000 0.282 383 Y C 2.759 178.662 175.900 0.005 0.000 1.139 383 Y CA 1.825 59.951 58.100 0.042 0.000 1.123 383 Y CB -0.398 38.129 38.460 0.112 0.000 0.980 383 Y HN 0.100 nan 8.280 nan 0.000 0.493 384 A N 0.878 123.869 122.820 0.284 0.000 1.881 384 A HA -0.341 3.980 4.320 0.001 0.000 0.219 384 A C 2.424 179.991 177.584 -0.028 0.000 1.215 384 A CA 2.873 54.984 52.037 0.125 0.000 0.648 384 A CB -1.798 17.263 19.000 0.101 0.000 0.832 384 A HN 0.704 nan 8.150 nan 0.000 0.455 385 A N -0.973 121.835 122.820 -0.021 0.000 1.908 385 A HA 0.096 4.416 4.320 0.001 0.000 0.218 385 A C 2.348 179.866 177.584 -0.109 0.000 1.181 385 A CA 1.989 53.991 52.037 -0.058 0.000 0.627 385 A CB -1.372 17.608 19.000 -0.034 0.000 0.818 385 A HN 1.014 nan 8.150 nan 0.000 0.445 386 G N -0.234 108.480 108.800 -0.143 0.000 2.776 386 G HA2 0.112 4.072 3.960 0.001 0.000 0.209 386 G HA3 0.112 4.072 3.960 0.001 0.000 0.209 386 G C 1.189 175.925 174.900 -0.272 0.000 1.145 386 G CA 0.886 45.869 45.100 -0.195 0.000 0.791 386 G HN 0.868 nan 8.290 nan 0.000 0.530 387 I N -2.908 117.486 120.570 -0.293 0.000 4.139 387 I HA 0.376 4.547 4.170 0.001 0.000 0.335 387 I C -0.178 175.805 176.117 -0.224 0.000 1.327 387 I CA -0.294 60.824 61.300 -0.303 0.000 1.112 387 I CB 0.294 38.077 38.000 -0.363 0.000 1.058 387 I HN -0.109 nan 8.210 nan 0.000 0.396 388 E N 4.342 124.430 120.200 -0.187 0.000 2.417 388 E HA 0.166 4.517 4.350 0.001 0.000 0.261 388 E C -2.112 174.392 176.600 -0.160 0.000 1.000 388 E CA -1.669 54.637 56.400 -0.157 0.000 0.919 388 E CB 0.009 29.632 29.700 -0.128 0.000 0.955 388 E HN 0.242 nan 8.360 nan 0.000 0.455 389 P HA -0.079 nan 4.420 nan 0.000 0.269 389 P C -0.334 176.897 177.300 -0.115 0.000 1.217 389 P CA 0.350 63.371 63.100 -0.131 0.000 0.783 389 P CB 0.734 32.376 31.700 -0.096 0.000 0.898 390 A N 1.333 124.098 122.820 -0.092 0.000 2.644 390 A HA 0.168 4.488 4.320 0.001 0.000 0.193 390 A C 0.068 177.627 177.584 -0.043 0.000 1.464 390 A CA -0.050 51.937 52.037 -0.083 0.000 1.095 390 A CB -0.500 18.448 19.000 -0.086 0.000 1.405 390 A HN 0.460 nan 8.150 nan 0.000 0.558 391 F N 1.916 121.802 119.950 -0.107 0.000 2.495 391 F HA 0.521 5.048 4.527 0.001 0.000 0.365 391 F C -0.483 175.232 175.800 -0.141 0.000 1.090 391 F CA -0.171 57.787 58.000 -0.069 0.000 1.235 391 F CB 0.618 39.643 39.000 0.042 0.000 1.119 391 F HN 0.110 nan 8.300 nan 0.000 0.562 392 D N 7.935 127.656 120.400 -1.132 0.000 2.470 392 D HA 0.313 4.953 4.640 0.001 0.000 0.233 392 D C -2.241 173.419 176.300 -1.067 0.000 1.372 392 D CA -1.962 51.466 54.000 -0.954 0.000 0.994 392 D CB 1.955 42.437 40.800 -0.530 0.000 1.377 392 D HN 0.139 nan 8.370 nan 0.000 0.586 393 P HA -0.133 nan 4.420 nan 0.000 0.218 393 P C 1.354 178.339 177.300 -0.525 0.000 1.147 393 P CA 1.069 63.649 63.100 -0.867 0.000 0.827 393 P CB 0.204 31.615 31.700 -0.481 0.000 0.778 394 L N -1.761 119.213 121.223 -0.415 0.000 2.478 394 L HA -0.013 4.327 4.340 0.001 0.000 0.223 394 L C 1.905 178.606 176.870 -0.282 0.000 1.140 394 L CA 1.127 55.800 54.840 -0.278 0.000 0.842 394 L CB -0.628 41.297 42.059 -0.225 0.000 0.953 394 L HN -0.006 nan 8.230 nan 0.000 0.452 395 K N 0.745 120.908 120.400 -0.394 0.000 2.356 395 K HA 0.201 4.521 4.320 0.001 0.000 0.195 395 K C 0.980 177.457 176.600 -0.204 0.000 1.037 395 K CA 0.026 56.065 56.287 -0.414 0.000 1.014 395 K CB 0.262 32.297 32.500 -0.776 0.000 0.815 395 K HN 0.161 nan 8.250 nan 0.000 0.507 396 A N 2.601 125.276 122.820 -0.242 0.000 2.561 396 A HA -0.011 4.310 4.320 0.001 0.000 0.251 396 A C -0.313 177.233 177.584 -0.063 0.000 1.062 396 A CA 0.388 52.347 52.037 -0.130 0.000 0.761 396 A CB 0.007 18.873 19.000 -0.223 0.000 0.986 396 A HN 0.193 nan 8.150 nan 0.000 0.510 397 R N 2.105 122.557 120.500 -0.080 0.000 2.514 397 R HA 0.554 4.895 4.340 0.001 0.000 0.301 397 R C -1.381 174.657 176.300 -0.436 0.000 0.962 397 R CA -0.737 55.257 56.100 -0.177 0.000 0.882 397 R CB 1.928 32.165 30.300 -0.105 0.000 1.143 397 R HN 0.406 nan 8.270 nan 0.000 0.452 398 V N 4.302 124.038 119.914 -0.296 0.000 2.409 398 V HA 0.330 4.451 4.120 0.001 0.000 0.291 398 V C -1.219 174.832 176.094 -0.071 0.000 1.020 398 V CA -0.749 61.395 62.300 -0.261 0.000 0.848 398 V CB 1.241 33.017 31.823 -0.080 0.000 0.990 398 V HN 0.547 nan 8.190 nan 0.000 0.430 399 Y N 3.798 123.973 120.300 -0.209 0.000 2.328 399 Y HA 0.539 5.089 4.550 0.001 0.000 0.333 399 Y C 0.413 175.936 175.900 -0.628 0.000 0.958 399 Y CA -2.064 55.819 58.100 -0.362 0.000 1.167 399 Y CB 1.397 39.566 38.460 -0.484 0.000 1.151 399 Y HN 0.853 nan 8.280 nan 0.000 0.470 400 D N -1.610 118.763 120.400 -0.045 0.000 2.497 400 D HA -0.004 4.636 4.640 0.001 0.000 0.256 400 D C -0.059 176.419 176.300 0.297 0.000 1.273 400 D CA -0.006 54.064 54.000 0.117 0.000 0.812 400 D CB -0.450 40.421 40.800 0.118 0.000 1.190 400 D HN 0.188 nan 8.370 nan 0.000 0.524 401 S N 0.414 116.243 115.700 0.215 0.000 3.697 401 S HA 0.203 4.673 4.470 0.001 0.000 0.207 401 S C 1.513 175.802 174.600 -0.518 0.000 1.459 401 S CA 0.089 58.095 58.200 -0.323 0.000 1.122 401 S CB -0.204 62.508 63.200 -0.813 0.000 1.311 401 S HN 0.253 nan 8.310 nan 0.000 0.487 402 S N 2.481 118.197 115.700 0.027 0.000 2.372 402 S HA -0.236 4.235 4.470 0.001 0.000 0.227 402 S C 1.966 176.473 174.600 -0.154 0.000 1.044 402 S CA 1.134 59.333 58.200 -0.002 0.000 1.050 402 S CB -1.340 61.920 63.200 0.100 0.000 0.901 402 S HN 0.936 nan 8.310 nan 0.000 0.447 403 W N 2.775 124.030 121.300 -0.076 0.000 2.302 403 W HA -0.212 4.448 4.660 0.001 0.000 0.320 403 W C 2.163 178.584 176.519 -0.164 0.000 1.241 403 W CA 1.308 58.598 57.345 -0.091 0.000 1.264 403 W CB -1.662 27.752 29.460 -0.078 0.000 1.154 403 W HN 0.446 nan 8.180 nan 0.000 0.483 404 N N 0.504 118.529 118.700 -1.125 0.000 2.166 404 N HA -0.187 4.553 4.740 0.001 0.000 0.186 404 N C 1.735 176.906 175.510 -0.565 0.000 1.019 404 N CA 2.077 54.510 53.050 -1.028 0.000 0.856 404 N CB -0.783 36.582 38.487 -1.869 0.000 0.993 404 N HN 0.351 nan 8.380 nan 0.000 0.426 405 W N 1.312 122.423 121.300 -0.314 0.000 2.402 405 W HA -0.003 4.657 4.660 0.001 0.000 0.286 405 W C 2.641 179.093 176.519 -0.111 0.000 1.221 405 W CA 0.275 57.500 57.345 -0.201 0.000 1.257 405 W CB -0.206 29.121 29.460 -0.221 0.000 1.120 405 W HN 0.108 nan 8.180 nan 0.000 0.551 406 A N 1.749 124.633 122.820 0.107 0.000 1.849 406 A HA -0.266 4.054 4.320 0.001 0.000 0.217 406 A C 1.897 179.571 177.584 0.151 0.000 1.202 406 A CA 2.185 54.289 52.037 0.112 0.000 0.629 406 A CB -1.022 18.042 19.000 0.107 0.000 0.834 406 A HN 0.332 nan 8.150 nan 0.000 0.447 407 R N -0.519 120.064 120.500 0.137 0.000 2.170 407 R HA -0.205 4.135 4.340 0.001 0.000 0.242 407 R C 2.448 178.905 176.300 0.262 0.000 1.145 407 R CA 1.637 57.869 56.100 0.220 0.000 0.984 407 R CB -0.382 29.775 30.300 -0.238 0.000 0.869 407 R HN 0.840 nan 8.270 nan 0.000 0.455 408 Q N 1.092 120.982 119.800 0.150 0.000 1.994 408 Q HA -0.166 4.174 4.340 0.001 0.000 0.198 408 Q C 1.117 177.203 176.000 0.142 0.000 0.976 408 Q CA 1.847 57.744 55.803 0.156 0.000 0.828 408 Q CB 0.121 28.976 28.738 0.196 0.000 0.894 408 Q HN 0.209 nan 8.270 nan 0.000 0.432 409 D N 0.654 121.127 120.400 0.121 0.000 2.144 409 D HA -0.137 4.503 4.640 0.001 0.000 0.199 409 D C 1.693 178.049 176.300 0.095 0.000 0.984 409 D CA 1.252 55.298 54.000 0.077 0.000 0.834 409 D CB -0.439 40.389 40.800 0.048 0.000 0.955 409 D HN 0.432 nan 8.370 nan 0.000 0.465 410 A N 1.241 124.140 122.820 0.131 0.000 1.829 410 A HA -0.164 4.156 4.320 0.001 0.000 0.216 410 A C 2.253 179.893 177.584 0.092 0.000 1.207 410 A CA 1.404 53.512 52.037 0.119 0.000 0.622 410 A CB -1.178 17.929 19.000 0.179 0.000 0.846 410 A HN 0.292 nan 8.150 nan 0.000 0.447 411 L N -0.413 120.879 121.223 0.115 0.000 2.261 411 L HA -0.145 4.196 4.340 0.001 0.000 0.216 411 L C 2.614 179.607 176.870 0.205 0.000 1.114 411 L CA 1.800 56.660 54.840 0.034 0.000 0.777 411 L CB -0.150 41.973 42.059 0.107 0.000 0.910 411 L HN 0.468 nan 8.230 nan 0.000 0.440 412 S N -0.692 115.110 115.700 0.172 0.000 2.371 412 S HA -0.215 4.255 4.470 0.001 0.000 0.224 412 S C 1.990 176.695 174.600 0.174 0.000 1.029 412 S CA 1.473 59.768 58.200 0.159 0.000 0.978 412 S CB -0.173 63.072 63.200 0.075 0.000 0.833 412 S HN 0.557 nan 8.310 nan 0.000 0.466 413 M N -0.260 119.419 119.600 0.132 0.000 2.156 413 M HA -0.056 4.425 4.480 0.001 0.000 0.264 413 M C 1.884 178.257 176.300 0.122 0.000 1.067 413 M CA 1.561 56.919 55.300 0.098 0.000 1.131 413 M CB -0.422 32.212 32.600 0.057 0.000 1.368 413 M HN 0.610 nan 8.290 nan 0.000 0.416 414 Y N 0.295 120.575 120.300 -0.033 0.000 2.040 414 Y HA -0.378 4.173 4.550 0.001 0.000 0.275 414 Y C 1.628 177.451 175.900 -0.129 0.000 1.171 414 Y CA 2.345 60.363 58.100 -0.136 0.000 1.123 414 Y CB -0.669 37.635 38.460 -0.260 0.000 0.963 414 Y HN 0.247 nan 8.280 nan 0.000 0.493 415 Y N 0.484 121.049 120.300 0.442 0.000 2.509 415 Y HA -0.182 4.368 4.550 0.001 0.000 0.293 415 Y C 2.186 178.262 175.900 0.293 0.000 1.133 415 Y CA 1.059 59.395 58.100 0.392 0.000 1.283 415 Y CB -0.319 38.367 38.460 0.376 0.000 1.001 415 Y HN 0.253 nan 8.280 nan 0.000 0.555 416 D N 0.202 120.766 120.400 0.275 0.000 2.117 416 D HA -0.153 4.488 4.640 0.001 0.000 0.198 416 D C 2.178 178.538 176.300 0.101 0.000 0.982 416 D CA 1.217 55.313 54.000 0.161 0.000 0.828 416 D CB -0.243 40.606 40.800 0.081 0.000 0.967 416 D HN 0.308 nan 8.370 nan 0.000 0.464 417 I N 1.033 121.604 120.570 0.003 0.000 2.142 417 I HA -0.233 3.937 4.170 0.001 0.000 0.240 417 I C 2.321 178.354 176.117 -0.140 0.000 1.078 417 I CA 0.785 62.034 61.300 -0.086 0.000 1.343 417 I CB -0.081 37.818 38.000 -0.170 0.000 1.046 417 I HN -0.028 nan 8.210 nan 0.000 0.405 418 I N -0.386 120.030 120.570 -0.258 0.000 2.530 418 I HA -0.286 3.884 4.170 0.001 0.000 0.257 418 I C 1.799 177.670 176.117 -0.410 0.000 1.179 418 I CA 1.629 62.632 61.300 -0.495 0.000 1.440 418 I CB -0.395 37.129 38.000 -0.794 0.000 1.087 418 I HN 0.183 nan 8.210 nan 0.000 0.440 419 F N 0.305 120.197 119.950 -0.097 0.000 2.731 419 F HA 0.277 4.804 4.527 0.001 0.000 0.298 419 F C 1.776 177.558 175.800 -0.029 0.000 1.106 419 F CA 0.592 58.574 58.000 -0.031 0.000 1.329 419 F CB 0.356 39.364 39.000 0.013 0.000 1.100 419 F HN 0.142 nan 8.300 nan 0.000 0.592 420 G N 0.835 109.693 108.800 0.096 0.000 2.149 420 G HA2 -0.321 3.639 3.960 0.001 0.000 0.235 420 G HA3 -0.321 3.639 3.960 0.001 0.000 0.235 420 G C 1.118 176.053 174.900 0.058 0.000 1.018 420 G CA 0.241 45.369 45.100 0.048 0.000 0.728 420 G HN 0.351 nan 8.290 nan 0.000 0.508 421 R N -1.017 119.529 120.500 0.076 0.000 2.193 421 R HA 0.302 4.643 4.340 0.001 0.000 0.213 421 R C 1.023 177.333 176.300 0.017 0.000 1.055 421 R CA 0.722 56.845 56.100 0.040 0.000 0.995 421 R CB 0.166 30.485 30.300 0.031 0.000 0.893 421 R HN 0.446 nan 8.270 nan 0.000 0.459 422 L N 1.362 122.593 121.223 0.013 0.000 2.356 422 L HA 0.429 4.770 4.340 0.001 0.000 0.277 422 L C -0.477 176.384 176.870 -0.014 0.000 0.996 422 L CA -0.738 54.099 54.840 -0.004 0.000 0.822 422 L CB 2.011 44.065 42.059 -0.008 0.000 1.256 422 L HN 0.008 nan 8.230 nan 0.000 0.413 423 R N 1.768 122.259 120.500 -0.015 0.000 2.720 423 R HA 0.377 4.717 4.340 0.001 0.000 0.272 423 R C 0.748 177.034 176.300 -0.023 0.000 0.991 423 R CA -0.883 55.205 56.100 -0.020 0.000 1.010 423 R CB 1.702 31.992 30.300 -0.016 0.000 1.141 423 R HN 0.374 nan 8.270 nan 0.000 0.494 424 V N 1.091 120.990 119.914 -0.026 0.000 3.241 424 V HA -0.156 3.965 4.120 0.001 0.000 0.269 424 V C 2.013 178.095 176.094 -0.021 0.000 1.151 424 V CA 0.911 63.196 62.300 -0.025 0.000 1.158 424 V CB -0.875 30.932 31.823 -0.026 0.000 0.764 424 V HN 0.597 nan 8.190 nan 0.000 0.508 425 V N 0.040 119.942 119.914 -0.019 0.000 2.220 425 V HA -0.208 3.912 4.120 0.001 0.000 0.242 425 V C 0.826 176.909 176.094 -0.018 0.000 1.041 425 V CA 1.301 63.590 62.300 -0.018 0.000 0.990 425 V CB -0.787 31.026 31.823 -0.017 0.000 0.634 425 V HN 0.550 nan 8.190 nan 0.000 0.452 426 D N 1.236 121.625 120.400 -0.018 0.000 2.982 426 D HA -0.105 4.535 4.640 0.001 0.000 0.222 426 D C 1.311 177.599 176.300 -0.019 0.000 1.124 426 D CA 0.325 54.314 54.000 -0.018 0.000 0.810 426 D CB 0.162 40.951 40.800 -0.018 0.000 1.152 426 D HN 0.189 nan 8.370 nan 0.000 0.538 427 R N 2.357 122.846 120.500 -0.019 0.000 2.211 427 R HA -0.157 4.184 4.340 0.001 0.000 0.240 427 R C 1.590 177.874 176.300 -0.025 0.000 1.144 427 R CA 0.642 56.729 56.100 -0.021 0.000 0.992 427 R CB 0.015 30.305 30.300 -0.016 0.000 0.869 427 R HN 0.525 nan 8.270 nan 0.000 0.462 428 E N 0.831 121.017 120.200 -0.024 0.000 2.033 428 E HA -0.179 4.171 4.350 0.001 0.000 0.199 428 E C 2.089 178.673 176.600 -0.026 0.000 1.011 428 E CA 1.073 57.458 56.400 -0.026 0.000 0.815 428 E CB -0.288 29.398 29.700 -0.024 0.000 0.755 428 E HN 0.337 nan 8.360 nan 0.000 0.451 429 I N 0.800 121.357 120.570 -0.022 0.000 2.236 429 I HA -0.304 3.867 4.170 0.001 0.000 0.249 429 I C 2.402 178.506 176.117 -0.022 0.000 1.102 429 I CA 0.891 62.179 61.300 -0.021 0.000 1.365 429 I CB -0.482 37.505 38.000 -0.022 0.000 1.051 429 I HN -0.021 nan 8.210 nan 0.000 0.420 430 V N 0.175 120.074 119.914 -0.025 0.000 2.223 430 V HA -0.276 3.845 4.120 0.001 0.000 0.244 430 V C 2.500 178.575 176.094 -0.032 0.000 1.045 430 V CA 2.164 64.447 62.300 -0.028 0.000 1.000 430 V CB -0.862 30.942 31.823 -0.032 0.000 0.635 430 V HN 0.358 nan 8.190 nan 0.000 0.445 431 S N -0.370 115.307 115.700 -0.039 0.000 2.380 431 S HA -0.382 4.088 4.470 0.001 0.000 0.229 431 S C 2.008 176.589 174.600 -0.032 0.000 1.050 431 S CA 2.328 60.502 58.200 -0.042 0.000 1.100 431 S CB -0.551 62.622 63.200 -0.045 0.000 0.984 431 S HN 0.667 nan 8.310 nan 0.000 0.434 432 Q N -0.351 119.433 119.800 -0.028 0.000 2.077 432 Q HA -0.190 4.150 4.340 0.001 0.000 0.206 432 Q C 2.563 178.557 176.000 -0.011 0.000 0.989 432 Q CA 1.643 57.434 55.803 -0.021 0.000 0.853 432 Q CB -0.640 28.089 28.738 -0.016 0.000 0.907 432 Q HN 0.563 nan 8.270 nan 0.000 0.418 433 C N 0.540 119.834 119.300 -0.010 0.000 2.403 433 C HA -0.159 4.302 4.460 0.001 0.000 0.277 433 C C 2.629 177.617 174.990 -0.003 0.000 1.248 433 C CA 0.629 59.645 59.018 -0.003 0.000 1.762 433 C CB -0.999 26.736 27.740 -0.008 0.000 2.014 433 C HN 0.455 nan 8.230 nan 0.000 0.486 434 I N -0.113 120.449 120.570 -0.012 0.000 2.226 434 I HA -0.226 3.944 4.170 0.001 0.000 0.245 434 I C 2.601 178.717 176.117 -0.003 0.000 1.100 434 I CA 1.379 62.672 61.300 -0.012 0.000 1.374 434 I CB -0.722 37.263 38.000 -0.025 0.000 1.057 434 I HN 0.275 nan 8.210 nan 0.000 0.413 435 Q N 1.038 120.835 119.800 -0.006 0.000 2.050 435 Q HA -0.102 4.238 4.340 0.001 0.000 0.202 435 Q C 2.213 178.217 176.000 0.007 0.000 0.980 435 Q CA 1.630 57.429 55.803 -0.007 0.000 0.840 435 Q CB -0.303 28.421 28.738 -0.024 0.000 0.898 435 Q HN 0.516 nan 8.270 nan 0.000 0.424 436 I N -0.293 120.286 120.570 0.015 0.000 2.264 436 I HA -0.307 3.863 4.170 0.001 0.000 0.248 436 I C 2.056 178.197 176.117 0.039 0.000 1.111 436 I CA 1.172 62.493 61.300 0.035 0.000 1.382 436 I CB -0.471 37.554 38.000 0.042 0.000 1.060 436 I HN 0.295 nan 8.210 nan 0.000 0.418 437 M N 0.188 119.804 119.600 0.027 0.000 2.175 437 M HA -0.149 4.331 4.480 0.001 0.000 0.264 437 M C 1.876 178.193 176.300 0.029 0.000 1.063 437 M CA 1.462 56.778 55.300 0.027 0.000 1.119 437 M CB -0.710 31.899 32.600 0.016 0.000 1.377 437 M HN 0.227 nan 8.290 nan 0.000 0.415 438 N N 1.371 120.085 118.700 0.024 0.000 2.272 438 N HA -0.095 4.645 4.740 0.001 0.000 0.185 438 N C 0.227 175.759 175.510 0.036 0.000 1.014 438 N CA 1.004 54.070 53.050 0.026 0.000 0.870 438 N CB -0.068 38.431 38.487 0.020 0.000 0.975 438 N HN 0.423 nan 8.380 nan 0.000 0.433 439 R N -0.046 120.479 120.500 0.041 0.000 3.057 439 R HA 0.339 4.680 4.340 0.001 0.000 0.291 439 R C -0.584 175.759 176.300 0.073 0.000 1.394 439 R CA -0.193 55.943 56.100 0.060 0.000 1.630 439 R CB 0.619 30.955 30.300 0.061 0.000 1.268 439 R HN -0.176 nan 8.270 nan 0.000 0.621 440 S N 1.760 117.499 115.700 0.064 0.000 2.416 440 S HA 0.263 4.733 4.470 0.001 0.000 0.287 440 S C -0.251 174.390 174.600 0.068 0.000 1.139 440 S CA -0.473 57.766 58.200 0.065 0.000 1.058 440 S CB 0.193 63.422 63.200 0.050 0.000 0.967 440 S HN 0.359 nan 8.310 nan 0.000 0.495 441 N N 3.505 122.253 118.700 0.080 0.000 2.335 441 N HA 0.435 5.176 4.740 0.001 0.000 0.304 441 N C -1.966 173.582 175.510 0.063 0.000 1.135 441 N CA -2.026 51.067 53.050 0.070 0.000 0.817 441 N CB 1.376 39.913 38.487 0.084 0.000 1.294 441 N HN 0.113 nan 8.380 nan 0.000 0.497 442 P HA -0.078 nan 4.420 nan 0.000 0.215 442 P C 1.070 178.399 177.300 0.047 0.000 1.157 442 P CA 1.204 64.327 63.100 0.038 0.000 0.868 442 P CB 0.302 32.015 31.700 0.022 0.000 0.788 443 L N -1.610 119.636 121.223 0.039 0.000 2.141 443 L HA -0.106 4.234 4.340 0.001 0.000 0.209 443 L C 2.569 179.500 176.870 0.102 0.000 1.094 443 L CA 1.329 56.193 54.840 0.040 0.000 0.763 443 L CB -1.468 40.591 42.059 -0.000 0.000 0.908 443 L HN -0.066 nan 8.230 nan 0.000 0.437 444 L N -0.598 120.700 121.223 0.125 0.000 2.017 444 L HA -0.211 4.129 4.340 0.001 0.000 0.208 444 L C 2.510 179.498 176.870 0.196 0.000 1.073 444 L CA 1.445 56.401 54.840 0.194 0.000 0.745 444 L CB -0.118 42.038 42.059 0.161 0.000 0.894 444 L HN 0.268 nan 8.230 nan 0.000 0.432 445 L N -0.318 120.980 121.223 0.126 0.000 2.013 445 L HA -0.286 4.054 4.340 0.001 0.000 0.212 445 L C 2.536 179.472 176.870 0.110 0.000 1.073 445 L CA 1.689 56.589 54.840 0.101 0.000 0.753 445 L CB -0.729 41.372 42.059 0.070 0.000 0.890 445 L HN 0.332 nan 8.230 nan 0.000 0.432 446 E N -0.212 120.055 120.200 0.111 0.000 2.033 446 E HA -0.297 4.053 4.350 0.001 0.000 0.199 446 E C 2.073 178.773 176.600 0.167 0.000 1.011 446 E CA 1.840 58.305 56.400 0.108 0.000 0.815 446 E CB -0.381 29.358 29.700 0.066 0.000 0.755 446 E HN 0.368 nan 8.360 nan 0.000 0.451 447 F N 1.493 121.475 119.950 0.053 0.000 2.161 447 F HA -0.217 4.310 4.527 0.001 0.000 0.300 447 F C 2.146 178.078 175.800 0.220 0.000 1.089 447 F CA 1.336 59.406 58.000 0.116 0.000 1.282 447 F CB -0.101 38.947 39.000 0.081 0.000 1.010 447 F HN -0.043 nan 8.300 nan 0.000 0.485 448 M N -0.244 119.382 119.600 0.044 0.000 2.066 448 M HA -0.268 4.212 4.480 0.001 0.000 0.259 448 M C 2.346 178.653 176.300 0.011 0.000 1.074 448 M CA 1.927 57.207 55.300 -0.033 0.000 1.114 448 M CB -1.336 31.292 32.600 0.046 0.000 1.306 448 M HN 0.212 nan 8.290 nan 0.000 0.411 449 Q N -0.698 119.136 119.800 0.058 0.000 2.030 449 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 449 Q C 1.982 178.023 176.000 0.068 0.000 0.986 449 Q CA 2.104 57.944 55.803 0.063 0.000 0.843 449 Q CB -0.410 28.367 28.738 0.066 0.000 0.904 449 Q HN 0.490 nan 8.270 nan 0.000 0.420 450 Y N 0.304 120.569 120.300 -0.059 0.000 2.069 450 Y HA -0.370 4.181 4.550 0.001 0.000 0.278 450 Y C 2.130 177.902 175.900 -0.213 0.000 1.175 450 Y CA 2.147 60.147 58.100 -0.167 0.000 1.134 450 Y CB -0.187 38.077 38.460 -0.326 0.000 0.965 450 Y HN 0.299 nan 8.280 nan 0.000 0.498 451 H N -1.223 117.861 119.070 0.024 0.000 2.491 451 H HA -0.111 4.446 4.556 0.001 0.000 0.290 451 H C 2.118 177.450 175.328 0.006 0.000 1.050 451 H CA 1.573 57.560 56.048 -0.101 0.000 1.309 451 H CB 0.069 29.601 29.762 -0.384 0.000 1.392 451 H HN 0.408 nan 8.280 nan 0.000 0.554 452 I N 1.023 121.666 120.570 0.121 0.000 2.400 452 I HA -0.148 4.022 4.170 0.001 0.000 0.248 452 I C 1.655 177.808 176.117 0.059 0.000 1.109 452 I CA 0.869 62.242 61.300 0.123 0.000 1.425 452 I CB -0.117 37.928 38.000 0.075 0.000 1.094 452 I HN -0.016 nan 8.210 nan 0.000 0.425 453 D N -0.024 120.388 120.400 0.022 0.000 2.088 453 D HA -0.211 4.429 4.640 0.001 0.000 0.191 453 D C 1.814 178.083 176.300 -0.051 0.000 0.992 453 D CA 1.705 55.700 54.000 -0.009 0.000 0.831 453 D CB -0.681 40.137 40.800 0.030 0.000 0.973 453 D HN 0.503 nan 8.370 nan 0.000 0.447 454 H N -0.642 118.245 119.070 -0.306 0.000 2.556 454 H HA 0.111 4.667 4.556 0.001 0.000 0.273 454 H C 0.484 175.754 175.328 -0.096 0.000 1.030 454 H CA -0.538 55.350 56.048 -0.267 0.000 1.156 454 H CB -0.246 29.222 29.762 -0.490 0.000 1.326 454 H HN 0.087 nan 8.280 nan 0.000 0.609 455 C N 4.065 123.423 119.300 0.097 0.000 2.638 455 C HA 0.067 4.528 4.460 0.001 0.000 0.410 455 C C -1.899 173.143 174.990 0.086 0.000 1.404 455 C CA -1.354 57.769 59.018 0.175 0.000 1.651 455 C CB -0.399 27.445 27.740 0.173 0.000 2.495 455 C HN 0.250 nan 8.230 nan 0.000 0.606 456 P HA 0.197 nan 4.420 nan 0.000 0.279 456 P C 0.621 177.828 177.300 -0.154 0.000 1.318 456 P CA 0.129 63.174 63.100 -0.091 0.000 0.819 456 P CB 0.698 32.276 31.700 -0.204 0.000 0.927 457 T N -0.808 113.693 114.554 -0.089 0.000 3.054 457 T HA -0.076 4.274 4.350 0.001 0.000 0.259 457 T C 0.917 175.555 174.700 -0.103 0.000 1.092 457 T CA 0.233 62.304 62.100 -0.048 0.000 1.121 457 T CB -0.252 68.600 68.868 -0.027 0.000 0.912 457 T HN 0.354 nan 8.240 nan 0.000 0.489 458 E N 2.202 122.315 120.200 -0.145 0.000 2.705 458 E HA 0.111 4.461 4.350 0.001 0.000 0.272 458 E C 0.719 177.202 176.600 -0.195 0.000 1.528 458 E CA -0.106 56.211 56.400 -0.138 0.000 1.750 458 E CB -0.144 29.485 29.700 -0.118 0.000 1.439 458 E HN 0.526 nan 8.360 nan 0.000 0.449 459 R N -0.716 119.641 120.500 -0.239 0.000 2.716 459 R HA 0.271 4.612 4.340 0.001 0.000 0.186 459 R C 0.641 176.887 176.300 -0.089 0.000 0.830 459 R CA 0.587 56.523 56.100 -0.272 0.000 1.059 459 R CB 1.165 31.056 30.300 -0.681 0.000 1.531 459 R HN 0.250 nan 8.270 nan 0.000 0.633 460 G N 0.014 108.828 108.800 0.022 0.000 2.646 460 G HA2 0.216 4.176 3.960 0.001 0.000 0.291 460 G HA3 0.216 4.176 3.960 0.001 0.000 0.291 460 G C -0.428 174.520 174.900 0.080 0.000 1.445 460 G CA -0.550 44.607 45.100 0.095 0.000 0.814 460 G HN -0.019 nan 8.290 nan 0.000 0.495 461 E N -0.444 119.775 120.200 0.031 0.000 2.153 461 E HA -0.151 4.199 4.350 0.001 0.000 0.194 461 E C 2.588 179.182 176.600 -0.010 0.000 0.988 461 E CA 1.861 58.263 56.400 0.004 0.000 0.811 461 E CB -0.046 29.649 29.700 -0.009 0.000 0.746 461 E HN 0.603 nan 8.360 nan 0.000 0.466 462 T N -0.946 113.593 114.554 -0.025 0.000 2.777 462 T HA -0.203 4.147 4.350 0.001 0.000 0.266 462 T C 1.798 176.396 174.700 -0.171 0.000 1.040 462 T CA 0.973 63.005 62.100 -0.114 0.000 1.141 462 T CB -0.666 68.094 68.868 -0.180 0.000 0.868 462 T HN 0.151 nan 8.240 nan 0.000 0.444 463 Y N 1.752 121.954 120.300 -0.164 0.000 2.207 463 Y HA -0.107 4.444 4.550 0.001 0.000 0.287 463 Y C 3.066 178.866 175.900 -0.167 0.000 1.156 463 Y CA 1.586 59.570 58.100 -0.192 0.000 1.182 463 Y CB -0.495 37.882 38.460 -0.139 0.000 0.979 463 Y HN 0.242 nan 8.280 nan 0.000 0.521 464 Q N 0.073 119.896 119.800 0.039 0.000 1.990 464 Q HA -0.176 4.164 4.340 0.001 0.000 0.200 464 Q C 2.184 178.153 176.000 -0.051 0.000 0.980 464 Q CA 1.473 57.269 55.803 -0.011 0.000 0.832 464 Q CB -0.641 28.091 28.738 -0.009 0.000 0.897 464 Q HN 0.412 nan 8.270 nan 0.000 0.427 465 L N 0.357 121.542 121.223 -0.063 0.000 2.089 465 L HA -0.185 4.155 4.340 0.001 0.000 0.213 465 L C 1.901 178.706 176.870 -0.109 0.000 1.079 465 L CA 2.380 57.174 54.840 -0.077 0.000 0.758 465 L CB -1.250 40.763 42.059 -0.077 0.000 0.891 465 L HN 0.297 nan 8.230 nan 0.000 0.433 466 A N -0.246 122.472 122.820 -0.171 0.000 1.825 466 A HA -0.263 4.057 4.320 0.001 0.000 0.214 466 A C 2.425 179.909 177.584 -0.167 0.000 1.206 466 A CA 1.859 53.749 52.037 -0.245 0.000 0.609 466 A CB -0.826 17.887 19.000 -0.479 0.000 0.851 466 A HN 0.488 nan 8.150 nan 0.000 0.445 467 K N -0.020 120.299 120.400 -0.136 0.000 2.127 467 K HA -0.274 4.046 4.320 0.001 0.000 0.208 467 K C 1.996 178.570 176.600 -0.045 0.000 1.047 467 K CA 2.085 58.334 56.287 -0.064 0.000 0.927 467 K CB -0.177 32.304 32.500 -0.031 0.000 0.716 467 K HN 0.684 nan 8.250 nan 0.000 0.450 468 E N 0.537 120.706 120.200 -0.050 0.000 2.001 468 E HA -0.196 4.154 4.350 0.001 0.000 0.193 468 E C 2.065 178.643 176.600 -0.035 0.000 0.994 468 E CA 1.427 57.805 56.400 -0.037 0.000 0.815 468 E CB -0.204 29.474 29.700 -0.037 0.000 0.770 468 E HN 0.345 nan 8.360 nan 0.000 0.453 469 L N 0.648 121.843 121.223 -0.046 0.000 2.137 469 L HA -0.190 4.150 4.340 0.001 0.000 0.213 469 L C 2.564 179.416 176.870 -0.029 0.000 1.085 469 L CA 1.224 56.040 54.840 -0.039 0.000 0.760 469 L CB -0.765 41.264 42.059 -0.050 0.000 0.893 469 L HN 0.390 nan 8.230 nan 0.000 0.434 470 G N -0.777 108.002 108.800 -0.035 0.000 2.484 470 G HA2 -0.344 3.617 3.960 0.001 0.000 0.215 470 G HA3 -0.344 3.617 3.960 0.001 0.000 0.215 470 G C 1.469 176.370 174.900 0.001 0.000 1.219 470 G CA 0.750 45.843 45.100 -0.012 0.000 0.791 470 G HN 0.267 nan 8.290 nan 0.000 0.550 471 Q N 0.208 120.006 119.800 -0.003 0.000 2.135 471 Q HA -0.123 4.218 4.340 0.001 0.000 0.204 471 Q C 2.501 178.501 176.000 0.001 0.000 0.981 471 Q CA 2.054 57.858 55.803 0.002 0.000 0.856 471 Q CB -0.546 28.190 28.738 -0.003 0.000 0.902 471 Q HN 0.695 nan 8.270 nan 0.000 0.425 472 Q N -0.612 119.185 119.800 -0.005 0.000 2.014 472 Q HA -0.227 4.114 4.340 0.001 0.000 0.207 472 Q C 2.001 178.002 176.000 0.001 0.000 0.993 472 Q CA 1.944 57.744 55.803 -0.005 0.000 0.850 472 Q CB -0.371 28.361 28.738 -0.010 0.000 0.916 472 Q HN 0.476 nan 8.270 nan 0.000 0.417 473 L N 0.853 122.077 121.223 0.002 0.000 2.017 473 L HA -0.167 4.173 4.340 0.001 0.000 0.208 473 L C 2.273 179.153 176.870 0.016 0.000 1.073 473 L CA 1.589 56.434 54.840 0.008 0.000 0.745 473 L CB -0.464 41.601 42.059 0.009 0.000 0.894 473 L HN 0.344 nan 8.230 nan 0.000 0.432 474 I N -0.525 120.056 120.570 0.019 0.000 2.248 474 I HA -0.270 3.900 4.170 0.001 0.000 0.248 474 I C 2.360 178.491 176.117 0.023 0.000 1.107 474 I CA 1.106 62.421 61.300 0.026 0.000 1.373 474 I CB -0.571 37.446 38.000 0.027 0.000 1.055 474 I HN 0.364 nan 8.210 nan 0.000 0.418 475 E N 0.779 120.988 120.200 0.016 0.000 2.046 475 E HA -0.137 4.213 4.350 0.001 0.000 0.190 475 E C 1.885 178.493 176.600 0.013 0.000 0.982 475 E CA 0.809 57.217 56.400 0.013 0.000 0.800 475 E CB -0.487 29.217 29.700 0.008 0.000 0.756 475 E HN 0.471 nan 8.360 nan 0.000 0.449 476 N N 1.167 119.874 118.700 0.011 0.000 2.011 476 N HA -0.177 4.563 4.740 0.001 0.000 0.199 476 N C 2.075 177.594 175.510 0.015 0.000 1.047 476 N CA 1.669 54.725 53.050 0.010 0.000 0.863 476 N CB -0.927 37.565 38.487 0.007 0.000 1.056 476 N HN 0.197 nan 8.380 nan 0.000 0.427 477 C N 1.163 120.476 119.300 0.021 0.000 2.403 477 C HA -0.087 4.373 4.460 0.001 0.000 0.279 477 C C 2.423 177.430 174.990 0.028 0.000 1.269 477 C CA 0.344 59.379 59.018 0.029 0.000 1.774 477 C CB -0.886 26.878 27.740 0.039 0.000 1.993 477 C HN 0.485 nan 8.230 nan 0.000 0.496 478 K N 1.110 121.525 120.400 0.025 0.000 2.097 478 K HA -0.153 4.167 4.320 0.001 0.000 0.205 478 K C 1.861 178.473 176.600 0.020 0.000 1.050 478 K CA 1.612 57.913 56.287 0.024 0.000 0.938 478 K CB -0.292 32.221 32.500 0.021 0.000 0.718 478 K HN 0.752 nan 8.250 nan 0.000 0.442 479 E N 0.556 120.766 120.200 0.016 0.000 2.494 479 E HA -0.021 4.329 4.350 0.001 0.000 0.193 479 E C 0.975 177.583 176.600 0.013 0.000 1.074 479 E CA 0.326 56.733 56.400 0.013 0.000 0.867 479 E CB 0.331 30.037 29.700 0.009 0.000 0.924 479 E HN -0.003 nan 8.360 nan 0.000 0.502 480 V N 0.625 120.549 119.914 0.017 0.000 3.635 480 V HA 0.108 4.228 4.120 0.001 0.000 0.266 480 V C 0.990 177.097 176.094 0.021 0.000 1.316 480 V CA -0.283 62.028 62.300 0.017 0.000 1.060 480 V CB -0.067 31.766 31.823 0.017 0.000 0.820 480 V HN 0.257 nan 8.190 nan 0.000 0.447 481 L N 2.461 123.699 121.223 0.024 0.000 2.700 481 L HA 0.222 4.563 4.340 0.001 0.000 0.276 481 L C 1.566 178.451 176.870 0.024 0.000 1.200 481 L CA 1.548 56.404 54.840 0.028 0.000 0.951 481 L CB -0.456 41.619 42.059 0.027 0.000 1.226 481 L HN 0.497 nan 8.230 nan 0.000 0.489 482 G N 2.545 111.361 108.800 0.027 0.000 2.454 482 G HA2 -0.279 3.682 3.960 0.001 0.000 0.225 482 G HA3 -0.279 3.682 3.960 0.001 0.000 0.225 482 G C 0.401 175.314 174.900 0.022 0.000 1.138 482 G CA -0.223 44.891 45.100 0.024 0.000 0.667 482 G HN 0.540 nan 8.290 nan 0.000 0.512 483 K N 2.519 122.931 120.400 0.019 0.000 2.419 483 K HA 0.346 4.666 4.320 0.001 0.000 0.282 483 K C -2.210 174.401 176.600 0.017 0.000 1.056 483 K CA -1.068 55.228 56.287 0.016 0.000 1.035 483 K CB 0.427 32.934 32.500 0.012 0.000 0.921 483 K HN 0.172 nan 8.250 nan 0.000 0.472 484 P HA -0.107 nan 4.420 nan 0.000 0.263 484 P C -2.413 174.898 177.300 0.017 0.000 1.162 484 P CA -0.438 62.672 63.100 0.018 0.000 0.758 484 P CB -0.187 31.518 31.700 0.009 0.000 0.773 485 P HA 0.223 nan 4.420 nan 0.000 0.277 485 P C -0.745 176.574 177.300 0.032 0.000 1.240 485 P CA 0.023 63.142 63.100 0.032 0.000 0.798 485 P CB 0.695 32.423 31.700 0.047 0.000 0.979 486 V N 2.512 122.446 119.914 0.032 0.000 2.789 486 V HA 0.257 4.378 4.120 0.001 0.000 0.311 486 V C -1.138 175.009 176.094 0.088 0.000 1.073 486 V CA -0.787 61.531 62.300 0.030 0.000 0.921 486 V CB 1.880 33.691 31.823 -0.020 0.000 1.009 486 V HN 0.419 nan 8.190 nan 0.000 0.426 487 Y N 5.435 125.737 120.300 0.004 0.000 2.436 487 Y HA 0.530 5.080 4.550 0.001 0.000 0.343 487 Y C -0.118 175.772 175.900 -0.017 0.000 1.008 487 Y CA -0.459 57.655 58.100 0.024 0.000 1.241 487 Y CB 0.376 38.911 38.460 0.125 0.000 1.153 487 Y HN 0.568 nan 8.280 nan 0.000 0.521 488 K N 5.798 125.990 120.400 -0.347 0.000 2.545 488 K HA 0.195 4.515 4.320 0.001 0.000 0.252 488 K C -1.626 174.653 176.600 -0.535 0.000 0.948 488 K CA -0.713 55.258 56.287 -0.528 0.000 0.827 488 K CB 0.917 33.257 32.500 -0.266 0.000 1.128 488 K HN 0.680 nan 8.250 nan 0.000 0.429 489 D N 3.457 123.356 120.400 -0.835 0.000 2.295 489 D HA 0.138 4.779 4.640 0.001 0.000 0.248 489 D C 0.271 176.152 176.300 -0.698 0.000 1.154 489 D CA -0.108 53.399 54.000 -0.821 0.000 0.857 489 D CB 1.596 41.551 40.800 -1.408 0.000 1.117 489 D HN 0.259 nan 8.370 nan 0.000 0.468 490 V N 2.320 122.001 119.914 -0.388 0.000 3.432 490 V HA 0.013 4.134 4.120 0.001 0.000 0.298 490 V C 0.960 177.018 176.094 -0.061 0.000 1.464 490 V CA -0.161 62.032 62.300 -0.178 0.000 1.046 490 V CB -0.066 31.685 31.823 -0.120 0.000 0.887 490 V HN 0.542 nan 8.190 nan 0.000 0.441 491 S N 0.696 116.358 115.700 -0.065 0.000 2.596 491 S HA 0.431 4.901 4.470 0.001 0.000 0.260 491 S C -0.043 174.663 174.600 0.177 0.000 1.336 491 S CA -0.246 57.995 58.200 0.068 0.000 0.993 491 S CB 0.771 64.022 63.200 0.086 0.000 0.923 491 S HN 0.250 nan 8.310 nan 0.000 0.567 492 I N 2.192 122.815 120.570 0.089 0.000 2.322 492 I HA 0.248 4.419 4.170 0.001 0.000 0.292 492 I C -2.254 173.864 176.117 0.002 0.000 1.060 492 I CA -2.205 59.117 61.300 0.036 0.000 1.309 492 I CB 0.337 38.331 38.000 -0.011 0.000 1.415 492 I HN 0.396 nan 8.210 nan 0.000 0.492 493 P HA -0.032 nan 4.420 nan 0.000 0.261 493 P C -0.250 176.960 177.300 -0.149 0.000 1.183 493 P CA 0.317 63.269 63.100 -0.247 0.000 0.761 493 P CB 0.492 31.961 31.700 -0.386 0.000 0.785 494 T N 1.591 116.068 114.554 -0.129 0.000 2.907 494 T HA 0.757 5.107 4.350 0.001 0.000 0.292 494 T C -0.163 174.480 174.700 -0.095 0.000 1.043 494 T CA -0.608 61.436 62.100 -0.093 0.000 1.003 494 T CB 1.223 70.054 68.868 -0.061 0.000 1.084 494 T HN 0.331 nan 8.240 nan 0.000 0.483 495 G N 2.105 110.851 108.800 -0.089 0.000 3.042 495 G HA2 0.775 4.735 3.960 0.001 0.000 0.278 495 G HA3 0.775 4.735 3.960 0.001 0.000 0.278 495 G C -3.166 171.695 174.900 -0.064 0.000 1.371 495 G CA -1.704 43.347 45.100 -0.082 0.000 1.009 495 G HN 0.628 nan 8.290 nan 0.000 0.523 496 P HA 0.298 nan 4.420 nan 0.000 0.292 496 P C -1.090 176.220 177.300 0.016 0.000 1.287 496 P CA -0.272 62.883 63.100 0.091 0.000 0.800 496 P CB 1.551 33.351 31.700 0.167 0.000 0.945 497 Q N 2.158 121.906 119.800 -0.087 0.000 2.695 497 Q HA 0.268 4.608 4.340 0.001 0.000 0.246 497 Q C -0.880 175.128 176.000 0.013 0.000 0.961 497 Q CA -0.358 55.415 55.803 -0.049 0.000 0.708 497 Q CB 1.080 29.757 28.738 -0.102 0.000 1.282 497 Q HN 0.507 nan 8.270 nan 0.000 0.482 498 T N 0.205 114.848 114.554 0.148 0.000 2.780 498 T HA 0.510 4.860 4.350 0.001 0.000 0.294 498 T C 0.138 174.891 174.700 0.089 0.000 0.949 498 T CA -0.352 61.857 62.100 0.183 0.000 1.074 498 T CB 1.357 70.351 68.868 0.210 0.000 0.910 498 T HN 0.466 nan 8.240 nan 0.000 0.501 499 T N 1.934 116.533 114.554 0.075 0.000 2.861 499 T HA 0.633 4.983 4.350 0.001 0.000 0.287 499 T C -0.528 174.200 174.700 0.046 0.000 1.003 499 T CA -0.993 61.134 62.100 0.045 0.000 0.977 499 T CB 0.879 69.761 68.868 0.023 0.000 0.996 499 T HN 0.695 nan 8.240 nan 0.000 0.448 500 I N 3.153 123.746 120.570 0.038 0.000 2.339 500 I HA 0.286 4.456 4.170 0.001 0.000 0.290 500 I C 0.331 176.464 176.117 0.027 0.000 0.994 500 I CA -0.744 60.577 61.300 0.035 0.000 1.191 500 I CB 1.491 39.511 38.000 0.034 0.000 1.343 500 I HN 0.776 nan 8.210 nan 0.000 0.458 501 D N 4.172 124.588 120.400 0.027 0.000 2.364 501 D HA 0.044 4.685 4.640 0.001 0.000 0.236 501 D C 1.058 177.370 176.300 0.020 0.000 1.221 501 D CA 0.436 54.450 54.000 0.022 0.000 0.891 501 D CB 1.189 42.003 40.800 0.023 0.000 1.190 501 D HN 0.628 nan 8.370 nan 0.000 0.449 502 A N 2.531 125.362 122.820 0.018 0.000 2.014 502 A HA -0.083 4.237 4.320 0.001 0.000 0.218 502 A C 1.758 179.353 177.584 0.018 0.000 1.163 502 A CA 1.026 53.073 52.037 0.017 0.000 0.652 502 A CB -0.092 18.917 19.000 0.015 0.000 0.808 502 A HN 0.538 nan 8.150 nan 0.000 0.449 503 R N -1.265 119.247 120.500 0.019 0.000 2.568 503 R HA 0.260 4.601 4.340 0.001 0.000 0.288 503 R C 1.159 177.471 176.300 0.021 0.000 1.077 503 R CA 0.475 56.587 56.100 0.020 0.000 1.102 503 R CB -0.089 30.223 30.300 0.020 0.000 1.278 503 R HN 0.628 nan 8.270 nan 0.000 0.560 504 G N 0.656 109.469 108.800 0.022 0.000 2.253 504 G HA2 -0.284 3.676 3.960 0.001 0.000 0.251 504 G HA3 -0.284 3.676 3.960 0.001 0.000 0.251 504 G C 0.079 174.994 174.900 0.026 0.000 0.998 504 G CA -0.311 44.803 45.100 0.023 0.000 0.621 504 G HN 0.369 nan 8.290 nan 0.000 0.524 505 N N 1.007 119.723 118.700 0.026 0.000 2.447 505 N HA 0.242 4.982 4.740 0.001 0.000 0.263 505 N C 0.477 176.008 175.510 0.035 0.000 1.226 505 N CA 0.582 53.649 53.050 0.029 0.000 0.906 505 N CB 0.583 39.087 38.487 0.028 0.000 1.060 505 N HN 0.423 nan 8.380 nan 0.000 0.468 506 I N 2.238 122.832 120.570 0.040 0.000 2.353 506 I HA 0.177 4.347 4.170 0.001 0.000 0.293 506 I C 0.519 176.674 176.117 0.064 0.000 0.992 506 I CA -0.250 61.081 61.300 0.052 0.000 1.268 506 I CB 0.935 38.967 38.000 0.052 0.000 1.387 506 I HN 0.232 nan 8.210 nan 0.000 0.478 507 Q N 4.916 124.762 119.800 0.076 0.000 2.421 507 Q HA 0.427 4.768 4.340 0.001 0.000 0.280 507 Q C -1.760 174.330 176.000 0.150 0.000 1.085 507 Q CA -0.930 54.930 55.803 0.094 0.000 0.807 507 Q CB 3.633 32.405 28.738 0.055 0.000 1.405 507 Q HN 0.579 nan 8.270 nan 0.000 0.419 508 Y N 1.142 121.453 120.300 0.019 0.000 2.329 508 Y HA 0.358 4.908 4.550 0.001 0.000 0.328 508 Y C -1.129 174.779 175.900 0.014 0.000 0.992 508 Y CA -0.236 57.876 58.100 0.019 0.000 1.151 508 Y CB 1.365 39.843 38.460 0.029 0.000 1.150 508 Y HN 0.563 nan 8.280 nan 0.000 0.450 509 Q N 3.279 122.771 119.800 -0.513 0.000 2.286 509 Q HA 0.443 4.784 4.340 0.001 0.000 0.250 509 Q C -1.054 174.515 176.000 -0.719 0.000 1.021 509 Q CA -1.240 54.275 55.803 -0.480 0.000 0.930 509 Q CB 1.842 30.443 28.738 -0.229 0.000 1.266 509 Q HN 0.632 nan 8.270 nan 0.000 0.491 510 E N 1.159 121.121 120.200 -0.396 0.000 2.145 510 E HA 0.306 4.656 4.350 0.001 0.000 0.262 510 E C -1.257 175.244 176.600 -0.165 0.000 0.883 510 E CA -0.308 55.925 56.400 -0.278 0.000 0.748 510 E CB 1.740 31.343 29.700 -0.162 0.000 1.140 510 E HN 0.237 nan 8.360 nan 0.000 0.417 511 V N 3.923 123.750 119.914 -0.146 0.000 2.617 511 V HA 0.276 4.396 4.120 0.001 0.000 0.298 511 V C -2.152 173.891 176.094 -0.085 0.000 1.048 511 V CA -2.244 59.995 62.300 -0.102 0.000 0.964 511 V CB 1.072 32.840 31.823 -0.091 0.000 1.004 511 V HN 0.528 nan 8.190 nan 0.000 0.466 512 P HA 0.110 nan 4.420 nan 0.000 0.266 512 P C -0.237 177.018 177.300 -0.075 0.000 1.195 512 P CA -0.053 63.004 63.100 -0.071 0.000 0.768 512 P CB 0.335 31.998 31.700 -0.062 0.000 0.838 513 R N 2.427 122.877 120.500 -0.084 0.000 2.522 513 R HA 0.122 4.462 4.340 0.001 0.000 0.284 513 R C 1.326 177.584 176.300 -0.071 0.000 1.032 513 R CA 0.055 56.108 56.100 -0.079 0.000 1.049 513 R CB 0.268 30.517 30.300 -0.086 0.000 0.956 513 R HN 0.514 nan 8.270 nan 0.000 0.422 514 A N 2.075 124.861 122.820 -0.057 0.000 2.121 514 A HA -0.110 4.210 4.320 0.001 0.000 0.218 514 A C 1.399 178.954 177.584 -0.049 0.000 1.154 514 A CA 1.473 53.480 52.037 -0.049 0.000 0.679 514 A CB 0.051 19.029 19.000 -0.037 0.000 0.795 514 A HN 0.732 nan 8.150 nan 0.000 0.458 515 S N -2.275 113.398 115.700 -0.045 0.000 2.701 515 S HA 0.658 5.129 4.470 0.001 0.000 0.242 515 S C 0.279 174.857 174.600 -0.038 0.000 1.025 515 S CA 0.250 58.434 58.200 -0.027 0.000 1.016 515 S CB 0.219 63.422 63.200 0.006 0.000 0.977 515 S HN 0.961 nan 8.310 nan 0.000 0.546 516 A N 1.159 123.923 122.820 -0.093 0.000 2.374 516 A HA 0.828 5.148 4.320 0.001 0.000 0.305 516 A C 0.496 177.938 177.584 -0.236 0.000 1.053 516 A CA -0.712 51.240 52.037 -0.141 0.000 0.726 516 A CB 1.443 20.433 19.000 -0.018 0.000 1.229 516 A HN 0.069 nan 8.150 nan 0.000 0.431 517 R N 0.879 121.124 120.500 -0.423 0.000 2.125 517 R HA 0.265 4.606 4.340 0.001 0.000 0.195 517 R C 0.355 176.599 176.300 -0.093 0.000 1.138 517 R CA 0.770 56.710 56.100 -0.267 0.000 1.123 517 R CB -0.125 29.979 30.300 -0.326 0.000 1.049 517 R HN 0.720 nan 8.270 nan 0.000 0.503 518 K N -0.224 120.179 120.400 0.005 0.000 2.419 518 K HA 0.275 4.596 4.320 0.001 0.000 0.246 518 K C 1.004 177.740 176.600 0.227 0.000 1.037 518 K CA -0.473 55.920 56.287 0.177 0.000 0.982 518 K CB 0.555 33.186 32.500 0.219 0.000 1.283 518 K HN -0.107 nan 8.250 nan 0.000 0.500 519 F N 1.439 121.409 119.950 0.034 0.000 2.615 519 F HA -0.040 4.488 4.527 0.001 0.000 0.297 519 F C 1.945 177.843 175.800 0.164 0.000 1.124 519 F CA 0.735 58.768 58.000 0.055 0.000 1.451 519 F CB 0.340 39.197 39.000 -0.239 0.000 1.103 519 F HN 0.599 nan 8.300 nan 0.000 0.569 520 E N -0.644 119.705 120.200 0.248 0.000 2.077 520 E HA -0.253 4.098 4.350 0.001 0.000 0.193 520 E C 1.591 178.239 176.600 0.080 0.000 0.989 520 E CA 1.691 58.173 56.400 0.137 0.000 0.800 520 E CB -0.484 29.249 29.700 0.055 0.000 0.746 520 E HN 0.533 nan 8.360 nan 0.000 0.452 521 H N -0.597 118.515 119.070 0.069 0.000 2.387 521 H HA -0.167 4.390 4.556 0.001 0.000 0.299 521 H C 1.808 177.164 175.328 0.046 0.000 1.099 521 H CA 1.838 57.910 56.048 0.041 0.000 1.315 521 H CB -0.252 29.524 29.762 0.023 0.000 1.380 521 H HN 0.246 nan 8.280 nan 0.000 0.513 522 Y N 0.849 121.169 120.300 0.034 0.000 2.089 522 Y HA -0.248 4.302 4.550 0.001 0.000 0.282 522 Y C 2.368 178.306 175.900 0.062 0.000 1.139 522 Y CA 1.346 59.415 58.100 -0.053 0.000 1.123 522 Y CB -0.844 37.426 38.460 -0.317 0.000 0.980 522 Y HN -0.021 nan 8.280 nan 0.000 0.493 523 V N 1.405 121.266 119.914 -0.087 0.000 2.231 523 V HA -0.426 3.695 4.120 0.001 0.000 0.250 523 V C 2.392 178.406 176.094 -0.133 0.000 1.058 523 V CA 2.662 64.877 62.300 -0.141 0.000 1.022 523 V CB -0.803 31.066 31.823 0.077 0.000 0.640 523 V HN 0.409 nan 8.190 nan 0.000 0.445 524 K N -0.536 119.830 120.400 -0.055 0.000 1.987 524 K HA -0.286 4.034 4.320 0.001 0.000 0.216 524 K C 2.277 178.861 176.600 -0.027 0.000 1.051 524 K CA 2.110 58.373 56.287 -0.040 0.000 0.942 524 K CB -0.410 32.061 32.500 -0.048 0.000 0.722 524 K HN 0.503 nan 8.250 nan 0.000 0.444 525 Q N -0.209 119.583 119.800 -0.015 0.000 2.173 525 Q HA -0.210 4.131 4.340 0.001 0.000 0.208 525 Q C 2.180 178.216 176.000 0.061 0.000 0.989 525 Q CA 1.442 57.262 55.803 0.028 0.000 0.872 525 Q CB -0.095 28.670 28.738 0.045 0.000 0.909 525 Q HN 0.341 nan 8.270 nan 0.000 0.420 526 M N -0.553 119.021 119.600 -0.043 0.000 2.099 526 M HA -0.098 4.382 4.480 0.001 0.000 0.262 526 M C 2.330 178.702 176.300 0.120 0.000 1.067 526 M CA 1.414 56.755 55.300 0.069 0.000 1.124 526 M CB -1.334 31.172 32.600 -0.157 0.000 1.353 526 M HN 0.203 nan 8.290 nan 0.000 0.410 527 A N 0.475 123.309 122.820 0.023 0.000 1.892 527 A HA -0.206 4.114 4.320 0.001 0.000 0.218 527 A C 2.043 179.643 177.584 0.027 0.000 1.188 527 A CA 1.993 54.045 52.037 0.026 0.000 0.631 527 A CB -0.907 18.095 19.000 0.003 0.000 0.822 527 A HN 0.610 nan 8.150 nan 0.000 0.447 528 E N -0.775 119.439 120.200 0.024 0.000 2.265 528 E HA 0.184 4.534 4.350 0.001 0.000 0.196 528 E C 1.377 177.952 176.600 -0.041 0.000 0.996 528 E CA 0.162 56.567 56.400 0.007 0.000 0.832 528 E CB -0.399 29.313 29.700 0.020 0.000 0.756 528 E HN 0.773 nan 8.360 nan 0.000 0.491 529 G N 0.352 109.100 108.800 -0.086 0.000 2.575 529 G HA2 -0.162 3.799 3.960 0.001 0.000 0.267 529 G HA3 -0.162 3.799 3.960 0.001 0.000 0.267 529 G C 0.194 174.920 174.900 -0.290 0.000 1.264 529 G CA -0.443 44.383 45.100 -0.457 0.000 0.935 529 G HN 0.619 nan 8.290 nan 0.000 0.568 530 G N -2.783 105.784 108.800 -0.389 0.000 2.645 530 G HA2 0.711 4.671 3.960 0.001 0.000 0.292 530 G HA3 0.711 4.671 3.960 0.001 0.000 0.292 530 G C -2.058 172.778 174.900 -0.106 0.000 1.415 530 G CA 0.336 45.382 45.100 -0.090 0.000 0.785 530 G HN 0.548 nan 8.290 nan 0.000 0.483 531 P HA -0.072 nan 4.420 nan 0.000 0.218 531 P C 1.837 179.077 177.300 -0.099 0.000 1.146 531 P CA 0.822 63.893 63.100 -0.048 0.000 0.820 531 P CB 0.223 31.920 31.700 -0.004 0.000 0.778 532 I N -0.936 119.574 120.570 -0.099 0.000 2.286 532 I HA -0.119 4.051 4.170 0.001 0.000 0.245 532 I C 1.135 176.868 176.117 -0.641 0.000 1.104 532 I CA 1.465 62.652 61.300 -0.188 0.000 1.397 532 I CB -0.780 37.241 38.000 0.034 0.000 1.072 532 I HN 0.037 nan 8.210 nan 0.000 0.417 533 S N 1.388 116.693 115.700 -0.658 0.000 3.324 533 S HA 0.217 4.688 4.470 0.001 0.000 0.229 533 S C 0.211 174.597 174.600 -0.357 0.000 1.417 533 S CA -0.545 57.127 58.200 -0.880 0.000 1.211 533 S CB -0.476 62.461 63.200 -0.438 0.000 1.157 533 S HN 0.307 nan 8.310 nan 0.000 0.491 534 Q N 1.795 121.426 119.800 -0.282 0.000 2.256 534 Q HA 0.516 4.856 4.340 0.001 0.000 0.254 534 Q C -0.815 175.239 176.000 0.091 0.000 0.916 534 Q CA -0.687 55.079 55.803 -0.061 0.000 0.932 534 Q CB 1.055 29.744 28.738 -0.082 0.000 1.207 534 Q HN 0.833 nan 8.270 nan 0.000 0.426 535 Y N -1.736 118.503 120.300 -0.102 0.000 2.588 535 Y HA 0.679 5.229 4.550 0.001 0.000 0.343 535 Y C -1.050 174.816 175.900 -0.058 0.000 1.065 535 Y CA -1.293 56.768 58.100 -0.066 0.000 1.038 535 Y CB 1.262 39.693 38.460 -0.048 0.000 1.297 535 Y HN 0.366 nan 8.280 nan 0.000 0.467 536 S N 1.775 117.409 115.700 -0.108 0.000 2.565 536 S HA 0.291 4.761 4.470 0.001 0.000 0.290 536 S C -0.608 173.868 174.600 -0.207 0.000 1.150 536 S CA -0.882 57.209 58.200 -0.183 0.000 1.058 536 S CB 0.998 64.153 63.200 -0.076 0.000 1.032 536 S HN 0.677 nan 8.310 nan 0.000 0.510 537 N N 1.247 119.812 118.700 -0.225 0.000 2.381 537 N HA 0.069 4.810 4.740 0.001 0.000 0.241 537 N C 1.460 176.923 175.510 -0.079 0.000 1.279 537 N CA -0.218 52.737 53.050 -0.158 0.000 0.896 537 N CB 0.288 38.689 38.487 -0.143 0.000 1.118 537 N HN 0.648 nan 8.380 nan 0.000 0.438 538 R N 0.092 120.559 120.500 -0.054 0.000 2.119 538 R HA -0.243 4.098 4.340 0.001 0.000 0.246 538 R C 1.522 177.799 176.300 -0.039 0.000 1.146 538 R CA 2.340 58.417 56.100 -0.037 0.000 0.962 538 R CB -0.735 29.545 30.300 -0.034 0.000 0.863 538 R HN 0.866 nan 8.270 nan 0.000 0.442 539 T N -1.012 113.514 114.554 -0.046 0.000 2.652 539 T HA -0.173 4.177 4.350 0.001 0.000 0.267 539 T C 1.929 176.608 174.700 -0.035 0.000 1.039 539 T CA 1.431 63.508 62.100 -0.040 0.000 1.153 539 T CB -0.328 68.513 68.868 -0.046 0.000 0.863 539 T HN 0.279 nan 8.240 nan 0.000 0.428 540 K N 0.454 120.826 120.400 -0.046 0.000 2.032 540 K HA -0.060 4.260 4.320 0.001 0.000 0.209 540 K C 2.423 179.010 176.600 -0.021 0.000 1.048 540 K CA 1.545 57.810 56.287 -0.037 0.000 0.927 540 K CB -0.690 31.777 32.500 -0.055 0.000 0.712 540 K HN 0.276 nan 8.250 nan 0.000 0.441 541 V N 2.320 122.219 119.914 -0.025 0.000 2.380 541 V HA -0.325 3.795 4.120 0.001 0.000 0.251 541 V C 2.508 178.599 176.094 -0.006 0.000 1.063 541 V CA 2.296 64.587 62.300 -0.015 0.000 1.055 541 V CB -0.666 31.143 31.823 -0.022 0.000 0.657 541 V HN 0.525 nan 8.190 nan 0.000 0.455 542 Q N -0.320 119.476 119.800 -0.007 0.000 2.089 542 Q HA -0.141 4.199 4.340 0.001 0.000 0.195 542 Q C 1.903 177.918 176.000 0.026 0.000 0.963 542 Q CA 1.598 57.405 55.803 0.007 0.000 0.834 542 Q CB -0.552 28.182 28.738 -0.007 0.000 0.906 542 Q HN 0.507 nan 8.270 nan 0.000 0.452 543 N N 1.314 120.021 118.700 0.012 0.000 2.272 543 N HA -0.142 4.599 4.740 0.001 0.000 0.185 543 N C 0.936 176.468 175.510 0.037 0.000 1.014 543 N CA 1.558 54.619 53.050 0.018 0.000 0.870 543 N CB -0.131 38.358 38.487 0.002 0.000 0.975 543 N HN 0.350 nan 8.380 nan 0.000 0.433 544 D N -0.196 120.228 120.400 0.040 0.000 2.137 544 D HA 0.035 4.675 4.640 0.001 0.000 0.202 544 D C 1.933 178.302 176.300 0.115 0.000 0.970 544 D CA 0.372 54.407 54.000 0.059 0.000 0.837 544 D CB -0.193 40.631 40.800 0.039 0.000 0.981 544 D HN 0.214 nan 8.370 nan 0.000 0.475 545 L N 0.436 121.735 121.223 0.126 0.000 2.191 545 L HA -0.128 4.212 4.340 0.001 0.000 0.212 545 L C 2.517 179.576 176.870 0.315 0.000 1.103 545 L CA 0.865 55.859 54.840 0.257 0.000 0.769 545 L CB -0.083 42.079 42.059 0.173 0.000 0.908 545 L HN -0.025 nan 8.230 nan 0.000 0.438 546 R N -0.124 120.472 120.500 0.161 0.000 2.078 546 R HA -0.136 4.204 4.340 0.001 0.000 0.224 546 R C 2.610 178.991 176.300 0.135 0.000 1.149 546 R CA 1.799 57.964 56.100 0.107 0.000 0.916 546 R CB -0.516 29.815 30.300 0.053 0.000 0.821 546 R HN 0.396 nan 8.270 nan 0.000 0.434 547 S N 0.316 116.079 115.700 0.104 0.000 2.420 547 S HA -0.126 4.344 4.470 0.001 0.000 0.237 547 S C 2.109 176.774 174.600 0.108 0.000 1.023 547 S CA 1.430 59.683 58.200 0.088 0.000 0.991 547 S CB -0.606 62.630 63.200 0.060 0.000 0.792 547 S HN 0.090 nan 8.310 nan 0.000 0.488 548 V N 0.642 120.655 119.914 0.164 0.000 2.307 548 V HA -0.136 3.984 4.120 0.001 0.000 0.245 548 V C 2.190 178.404 176.094 0.200 0.000 1.045 548 V CA 2.032 64.451 62.300 0.199 0.000 1.024 548 V CB -0.920 31.087 31.823 0.306 0.000 0.651 548 V HN 0.633 nan 8.190 nan 0.000 0.449 549 Y N 1.030 121.364 120.300 0.057 0.000 2.133 549 Y HA -0.237 4.314 4.550 0.001 0.000 0.287 549 Y C 2.590 178.456 175.900 -0.056 0.000 1.134 549 Y CA 1.964 60.017 58.100 -0.077 0.000 1.133 549 Y CB -0.127 38.076 38.460 -0.428 0.000 0.987 549 Y HN 0.109 nan 8.280 nan 0.000 0.502 550 K N 0.148 120.684 120.400 0.228 0.000 2.160 550 K HA -0.223 4.097 4.320 0.001 0.000 0.206 550 K C 2.044 178.638 176.600 -0.010 0.000 1.047 550 K CA 1.805 58.163 56.287 0.117 0.000 0.930 550 K CB -0.269 32.292 32.500 0.100 0.000 0.720 550 K HN 0.452 nan 8.250 nan 0.000 0.450 551 L N 0.231 121.441 121.223 -0.021 0.000 2.168 551 L HA 0.030 4.371 4.340 0.001 0.000 0.203 551 L C 2.130 178.918 176.870 -0.136 0.000 1.078 551 L CA 0.706 55.513 54.840 -0.055 0.000 0.780 551 L CB -0.018 42.030 42.059 -0.019 0.000 0.939 551 L HN 0.118 nan 8.230 nan 0.000 0.451 552 I N 0.006 120.459 120.570 -0.195 0.000 2.394 552 I HA -0.279 3.892 4.170 0.001 0.000 0.251 552 I C 2.630 178.474 176.117 -0.455 0.000 1.136 552 I CA 1.052 62.145 61.300 -0.344 0.000 1.425 552 I CB 0.005 37.696 38.000 -0.514 0.000 1.079 552 I HN 0.360 nan 8.210 nan 0.000 0.425 553 R N 1.456 121.669 120.500 -0.478 0.000 2.057 553 R HA -0.012 4.328 4.340 0.001 0.000 0.224 553 R C 1.607 177.614 176.300 -0.489 0.000 1.136 553 R CA 1.223 56.983 56.100 -0.567 0.000 0.968 553 R CB -0.458 29.444 30.300 -0.663 0.000 0.863 553 R HN 0.094 nan 8.270 nan 0.000 0.433 554 R N 0.919 121.269 120.500 -0.250 0.000 3.441 554 R HA 0.007 4.348 4.340 0.001 0.000 0.225 554 R C 0.825 177.087 176.300 -0.063 0.000 1.756 554 R CA 0.354 56.397 56.100 -0.096 0.000 1.504 554 R CB -0.079 30.208 30.300 -0.022 0.000 1.183 554 R HN 0.463 nan 8.270 nan 0.000 0.567 555 Q N -0.997 118.721 119.800 -0.136 0.000 2.313 555 Q HA 0.008 4.349 4.340 0.001 0.000 0.263 555 Q C -0.504 175.489 176.000 -0.011 0.000 0.820 555 Q CA -0.194 55.566 55.803 -0.072 0.000 0.974 555 Q CB 0.857 29.524 28.738 -0.117 0.000 1.156 555 Q HN 0.410 nan 8.270 nan 0.000 0.517 556 H N 1.068 120.077 119.070 -0.102 0.000 2.387 556 H HA -0.149 4.407 4.556 0.001 0.000 0.315 556 H C -0.044 175.238 175.328 -0.077 0.000 0.955 556 H CA 0.929 56.924 56.048 -0.088 0.000 1.046 556 H CB -0.155 29.569 29.762 -0.063 0.000 1.615 556 H HN 0.308 nan 8.280 nan 0.000 0.346 557 R N 0.707 121.192 120.500 -0.026 0.000 2.509 557 R HA 0.242 4.583 4.340 0.001 0.000 0.297 557 R C 0.596 176.871 176.300 -0.041 0.000 0.951 557 R CA -0.035 56.049 56.100 -0.027 0.000 1.103 557 R CB 0.905 31.177 30.300 -0.047 0.000 1.283 557 R HN 0.202 nan 8.270 nan 0.000 0.534 558 L N 1.987 123.171 121.223 -0.065 0.000 2.307 558 L HA 0.327 4.667 4.340 0.001 0.000 0.282 558 L C 0.747 177.600 176.870 -0.027 0.000 1.051 558 L CA -0.727 54.071 54.840 -0.070 0.000 0.804 558 L CB 1.529 43.506 42.059 -0.137 0.000 1.197 558 L HN -0.018 nan 8.230 nan 0.000 0.431 559 S N 1.283 116.973 115.700 -0.016 0.000 2.558 559 S HA 0.006 4.476 4.470 0.001 0.000 0.287 559 S C 0.832 175.437 174.600 0.009 0.000 1.321 559 S CA -0.382 57.819 58.200 0.001 0.000 1.048 559 S CB 0.549 63.750 63.200 0.003 0.000 0.844 559 S HN 0.668 nan 8.310 nan 0.000 0.512 560 K N 1.315 121.728 120.400 0.021 0.000 2.360 560 K HA -0.106 4.215 4.320 0.001 0.000 0.201 560 K C 2.339 178.959 176.600 0.033 0.000 1.046 560 K CA 1.067 57.373 56.287 0.032 0.000 0.940 560 K CB -0.326 32.195 32.500 0.034 0.000 0.748 560 K HN 0.637 nan 8.250 nan 0.000 0.465 561 S N 1.021 116.738 115.700 0.027 0.000 2.343 561 S HA -0.154 4.316 4.470 0.001 0.000 0.219 561 S C 2.062 176.689 174.600 0.044 0.000 1.033 561 S CA 1.956 60.176 58.200 0.033 0.000 1.014 561 S CB -0.176 63.039 63.200 0.025 0.000 0.915 561 S HN 0.429 nan 8.310 nan 0.000 0.435 562 S N 1.235 116.955 115.700 0.033 0.000 2.368 562 S HA -0.107 4.364 4.470 0.001 0.000 0.225 562 S C 1.966 176.608 174.600 0.071 0.000 1.030 562 S CA 1.010 59.236 58.200 0.043 0.000 0.999 562 S CB -0.767 62.435 63.200 0.003 0.000 0.844 562 S HN 0.638 nan 8.310 nan 0.000 0.459 563 Q N 0.220 120.037 119.800 0.028 0.000 2.291 563 Q HA 0.079 4.420 4.340 0.001 0.000 0.205 563 Q C 2.129 178.204 176.000 0.125 0.000 0.970 563 Q CA 0.639 56.465 55.803 0.039 0.000 0.876 563 Q CB -0.247 28.471 28.738 -0.034 0.000 0.935 563 Q HN 0.436 nan 8.270 nan 0.000 0.455 564 L N 1.171 122.454 121.223 0.099 0.000 2.023 564 L HA -0.177 4.164 4.340 0.001 0.000 0.205 564 L C 2.253 179.189 176.870 0.110 0.000 1.073 564 L CA 1.944 56.840 54.840 0.095 0.000 0.745 564 L CB -0.595 41.503 42.059 0.065 0.000 0.900 564 L HN 0.364 nan 8.230 nan 0.000 0.435 565 Q N -1.950 117.919 119.800 0.115 0.000 2.354 565 Q HA -0.184 4.157 4.340 0.001 0.000 0.203 565 Q C 2.181 178.270 176.000 0.148 0.000 0.933 565 Q CA 0.748 56.614 55.803 0.106 0.000 0.901 565 Q CB -0.777 28.012 28.738 0.084 0.000 1.007 565 Q HN 0.397 nan 8.270 nan 0.000 0.495 566 F N 3.267 123.252 119.950 0.058 0.000 2.126 566 F HA -0.198 4.330 4.527 0.001 0.000 0.299 566 F C 1.563 177.467 175.800 0.174 0.000 1.096 566 F CA 1.759 59.817 58.000 0.096 0.000 1.255 566 F CB -0.201 38.814 39.000 0.025 0.000 0.997 566 F HN 0.028 nan 8.300 nan 0.000 0.479 567 N N 0.901 119.663 118.700 0.104 0.000 2.188 567 N HA -0.116 4.625 4.740 0.001 0.000 0.184 567 N C 2.062 177.601 175.510 0.048 0.000 1.018 567 N CA 1.358 54.455 53.050 0.078 0.000 0.858 567 N CB -0.892 37.692 38.487 0.162 0.000 0.989 567 N HN 0.457 nan 8.380 nan 0.000 0.426 568 A N 1.440 124.289 122.820 0.049 0.000 1.851 568 A HA -0.099 4.221 4.320 0.001 0.000 0.216 568 A C 2.314 179.902 177.584 0.007 0.000 1.195 568 A CA 1.210 53.265 52.037 0.031 0.000 0.622 568 A CB -0.957 18.065 19.000 0.037 0.000 0.831 568 A HN 0.232 nan 8.150 nan 0.000 0.444 569 L N -2.642 118.578 121.223 -0.005 0.000 2.131 569 L HA -0.176 4.165 4.340 0.001 0.000 0.210 569 L C 2.546 179.360 176.870 -0.094 0.000 1.092 569 L CA 1.349 56.164 54.840 -0.041 0.000 0.759 569 L CB -0.618 41.423 42.059 -0.029 0.000 0.903 569 L HN 0.473 nan 8.230 nan 0.000 0.435 570 Y N 0.791 120.951 120.300 -0.235 0.000 2.293 570 Y HA -0.207 4.344 4.550 0.001 0.000 0.291 570 Y C 2.568 178.376 175.900 -0.153 0.000 1.137 570 Y CA 1.461 59.413 58.100 -0.246 0.000 1.202 570 Y CB 0.022 38.267 38.460 -0.357 0.000 0.990 570 Y HN 0.045 nan 8.280 nan 0.000 0.537 571 K N -0.306 120.110 120.400 0.027 0.000 2.103 571 K HA -0.143 4.177 4.320 0.001 0.000 0.204 571 K C 1.426 178.004 176.600 -0.037 0.000 1.052 571 K CA 1.474 57.758 56.287 -0.005 0.000 0.945 571 K CB -0.128 32.371 32.500 -0.002 0.000 0.722 571 K HN 0.306 nan 8.250 nan 0.000 0.443 572 D N 0.790 121.161 120.400 -0.048 0.000 2.097 572 D HA -0.132 4.508 4.640 0.001 0.000 0.197 572 D C 2.028 178.282 176.300 -0.077 0.000 0.984 572 D CA 0.876 54.843 54.000 -0.054 0.000 0.826 572 D CB -0.588 40.181 40.800 -0.050 0.000 0.973 572 D HN -0.104 nan 8.370 nan 0.000 0.460 573 V N 1.546 121.389 119.914 -0.119 0.000 2.324 573 V HA -0.244 3.876 4.120 0.001 0.000 0.250 573 V C 2.429 178.449 176.094 -0.124 0.000 1.060 573 V CA 1.350 63.558 62.300 -0.154 0.000 1.042 573 V CB -0.471 31.187 31.823 -0.275 0.000 0.650 573 V HN 0.245 nan 8.190 nan 0.000 0.450 574 I N -1.150 119.356 120.570 -0.106 0.000 2.761 574 I HA -0.123 4.047 4.170 0.001 0.000 0.261 574 I C 2.663 178.748 176.117 -0.053 0.000 1.198 574 I CA 0.967 62.225 61.300 -0.070 0.000 1.482 574 I CB -0.465 37.511 38.000 -0.040 0.000 1.100 574 I HN 0.237 nan 8.210 nan 0.000 0.445 575 R N 1.251 121.721 120.500 -0.051 0.000 2.055 575 R HA -0.028 4.312 4.340 0.001 0.000 0.228 575 R C 2.512 178.786 176.300 -0.042 0.000 1.143 575 R CA 1.486 57.562 56.100 -0.041 0.000 0.945 575 R CB -0.447 29.831 30.300 -0.036 0.000 0.841 575 R HN 0.285 nan 8.270 nan 0.000 0.429 576 A N 1.028 123.819 122.820 -0.048 0.000 2.076 576 A HA -0.094 4.226 4.320 0.001 0.000 0.220 576 A C 1.982 179.536 177.584 -0.049 0.000 1.160 576 A CA 1.167 53.175 52.037 -0.048 0.000 0.653 576 A CB -0.392 18.576 19.000 -0.054 0.000 0.801 576 A HN 0.208 nan 8.150 nan 0.000 0.455 577 L N -1.838 119.353 121.223 -0.053 0.000 2.567 577 L HA 0.357 4.697 4.340 0.001 0.000 0.225 577 L C 1.160 178.005 176.870 -0.041 0.000 1.119 577 L CA 0.249 55.060 54.840 -0.049 0.000 0.871 577 L CB -0.948 41.077 42.059 -0.057 0.000 1.036 577 L HN 0.593 nan 8.230 nan 0.000 0.459 609 V N 2.672 122.510 119.914 -0.126 0.000 2.530 609 V HA 0.236 4.356 4.120 0.001 0.000 0.282 609 V C 0.137 176.117 176.094 -0.190 0.000 1.048 609 V CA 0.194 62.404 62.300 -0.150 0.000 0.997 609 V CB 1.226 32.992 31.823 -0.096 0.000 0.987 609 V HN 0.668 nan 8.190 nan 0.000 0.477 610 E N 1.674 121.695 120.200 -0.298 0.000 2.369 610 E HA 0.684 5.034 4.350 0.001 0.000 0.270 610 E C -0.796 175.753 176.600 -0.085 0.000 0.909 610 E CA -0.576 55.653 56.400 -0.286 0.000 0.775 610 E CB 2.642 32.032 29.700 -0.518 0.000 1.270 610 E HN 0.835 nan 8.360 nan 0.000 0.445 611 T N -1.488 113.118 114.554 0.086 0.000 2.888 611 T HA 0.679 5.029 4.350 0.001 0.000 0.288 611 T C -0.339 174.493 174.700 0.219 0.000 1.063 611 T CA -0.728 61.458 62.100 0.144 0.000 1.010 611 T CB 0.814 69.643 68.868 -0.066 0.000 1.214 611 T HN 0.296 nan 8.240 nan 0.000 0.533 612 I N 1.612 122.218 120.570 0.060 0.000 2.433 612 I HA 0.361 4.531 4.170 0.001 0.000 0.292 612 I C -2.035 174.018 176.117 -0.106 0.000 1.001 612 I CA -2.929 58.411 61.300 0.066 0.000 1.119 612 I CB 2.861 40.877 38.000 0.027 0.000 1.289 612 I HN 0.497 nan 8.210 nan 0.000 0.438 613 P HA 0.058 nan 4.420 nan 0.000 0.259 613 P C 0.266 177.665 177.300 0.165 0.000 1.307 613 P CA 0.323 63.424 63.100 0.002 0.000 0.768 613 P CB -0.209 31.540 31.700 0.081 0.000 1.199 614 F N -3.666 116.425 119.950 0.235 0.000 2.742 614 F HA -0.251 4.276 4.527 0.001 0.000 0.470 614 F C 0.391 176.371 175.800 0.300 0.000 0.557 614 F CA 0.757 58.922 58.000 0.275 0.000 0.930 614 F CB -1.776 37.345 39.000 0.202 0.000 1.616 614 F HN -0.000 nan 8.300 nan 0.000 0.271 615 L N 1.105 122.587 121.223 0.432 0.000 2.573 615 L HA 0.392 4.732 4.340 0.001 0.000 0.260 615 L C -0.153 176.885 176.870 0.280 0.000 0.997 615 L CA -0.542 54.488 54.840 0.317 0.000 0.890 615 L CB 1.358 43.632 42.059 0.358 0.000 1.179 615 L HN 0.156 nan 8.230 nan 0.000 0.439 616 H N 2.363 121.488 119.070 0.091 0.000 2.907 616 H HA 0.745 5.302 4.556 0.001 0.000 0.361 616 H C -1.292 174.053 175.328 0.029 0.000 1.194 616 H CA -1.074 54.964 56.048 -0.017 0.000 1.152 616 H CB 2.001 31.523 29.762 -0.400 0.000 1.867 616 H HN 0.283 nan 8.280 nan 0.000 0.561 617 L N 1.065 122.372 121.223 0.141 0.000 2.334 617 L HA 0.621 4.962 4.340 0.001 0.000 0.272 617 L C 0.285 177.284 176.870 0.214 0.000 1.020 617 L CA -0.983 53.928 54.840 0.119 0.000 0.812 617 L CB 1.800 43.929 42.059 0.117 0.000 1.264 617 L HN 0.488 nan 8.230 nan 0.000 0.439 618 R N 0.698 121.335 120.500 0.228 0.000 2.923 618 R HA 0.684 5.024 4.340 0.001 0.000 0.252 618 R C -0.994 175.521 176.300 0.357 0.000 1.130 618 R CA -0.967 55.287 56.100 0.257 0.000 1.043 618 R CB 2.324 32.685 30.300 0.102 0.000 1.205 618 R HN 0.453 nan 8.270 nan 0.000 0.495 619 K N 0.516 121.056 120.400 0.233 0.000 2.466 619 K HA 0.342 4.662 4.320 0.001 0.000 0.260 619 K C -1.258 175.173 176.600 -0.282 0.000 1.011 619 K CA -0.770 55.552 56.287 0.057 0.000 0.871 619 K CB 2.082 34.601 32.500 0.031 0.000 1.404 619 K HN 0.280 nan 8.250 nan 0.000 0.450 620 K N 1.792 121.883 120.400 -0.514 0.000 2.248 620 K HA 0.076 4.396 4.320 0.001 0.000 0.281 620 K C -0.711 175.682 176.600 -0.345 0.000 1.054 620 K CA -0.491 55.373 56.287 -0.705 0.000 0.903 620 K CB 0.992 33.008 32.500 -0.807 0.000 1.077 620 K HN 0.498 nan 8.250 nan 0.000 0.474 621 D N 2.418 122.649 120.400 -0.281 0.000 2.390 621 D HA -0.083 4.557 4.640 0.001 0.000 0.236 621 D C 0.742 177.016 176.300 -0.045 0.000 1.189 621 D CA 0.575 54.510 54.000 -0.108 0.000 0.887 621 D CB 0.867 41.626 40.800 -0.068 0.000 1.198 621 D HN 0.507 nan 8.370 nan 0.000 0.444 622 E N 0.904 121.155 120.200 0.086 0.000 2.171 622 E HA -0.194 4.156 4.350 0.001 0.000 0.197 622 E C 0.619 177.216 176.600 -0.005 0.000 0.997 622 E CA 0.867 57.299 56.400 0.054 0.000 0.810 622 E CB -0.228 29.553 29.700 0.135 0.000 0.738 622 E HN 0.498 nan 8.360 nan 0.000 0.467 623 F N 0.841 120.726 119.950 -0.109 0.000 2.894 623 F HA 0.303 4.830 4.527 0.001 0.000 0.310 623 F C 1.093 176.824 175.800 -0.114 0.000 1.204 623 F CA -0.572 57.375 58.000 -0.088 0.000 1.290 623 F CB 0.440 39.402 39.000 -0.065 0.000 1.317 623 F HN -0.091 nan 8.300 nan 0.000 0.545 624 G N 1.647 110.431 108.800 -0.026 0.000 2.332 624 G HA2 -0.315 3.645 3.960 0.001 0.000 0.277 624 G HA3 -0.315 3.645 3.960 0.001 0.000 0.277 624 G C -0.352 174.433 174.900 -0.192 0.000 0.884 624 G CA 0.037 45.052 45.100 -0.142 0.000 1.251 624 G HN 0.461 nan 8.290 nan 0.000 0.462 625 N N -0.838 117.697 118.700 -0.275 0.000 2.238 625 N HA 0.449 5.189 4.740 0.001 0.000 0.302 625 N C -0.726 174.550 175.510 -0.391 0.000 1.072 625 N CA -0.740 52.173 53.050 -0.228 0.000 0.792 625 N CB 1.182 39.616 38.487 -0.087 0.000 1.425 625 N HN 0.312 nan 8.380 nan 0.000 0.478 626 W N 1.481 122.688 121.300 -0.154 0.000 2.228 626 W HA 0.313 4.973 4.660 0.001 0.000 0.364 626 W C 0.239 176.618 176.519 -0.233 0.000 0.917 626 W CA -0.520 56.651 57.345 -0.290 0.000 1.513 626 W CB 0.295 29.366 29.460 -0.649 0.000 1.494 626 W HN 0.215 nan 8.180 nan 0.000 0.346 627 E N 1.484 121.690 120.200 0.010 0.000 2.242 627 E HA 0.095 4.445 4.350 0.001 0.000 0.275 627 E C -0.456 176.217 176.600 0.121 0.000 1.002 627 E CA -1.383 55.036 56.400 0.032 0.000 0.841 627 E CB 1.188 30.880 29.700 -0.013 0.000 1.109 627 E HN 0.113 nan 8.360 nan 0.000 0.394 628 Y N 1.525 121.797 120.300 -0.047 0.000 2.969 628 Y HA -0.135 4.415 4.550 0.001 0.000 0.339 628 Y C -0.491 175.405 175.900 -0.007 0.000 1.272 628 Y CA 0.143 58.216 58.100 -0.046 0.000 1.577 628 Y CB 0.246 38.583 38.460 -0.204 0.000 1.234 628 Y HN 0.250 nan 8.280 nan 0.000 0.590 629 S N 7.707 123.783 115.700 0.628 0.000 2.539 629 S HA 0.247 4.717 4.470 0.001 0.000 0.235 629 S C 0.892 175.737 174.600 0.408 0.000 1.326 629 S CA -0.886 57.516 58.200 0.337 0.000 1.183 629 S CB 0.864 64.190 63.200 0.209 0.000 1.073 629 S HN 0.694 nan 8.310 nan 0.000 0.480 630 K N 2.092 122.652 120.400 0.266 0.000 2.173 630 K HA -0.210 4.110 4.320 0.001 0.000 0.207 630 K C 2.041 178.768 176.600 0.212 0.000 1.046 630 K CA 1.228 57.695 56.287 0.301 0.000 0.929 630 K CB -0.034 32.484 32.500 0.029 0.000 0.720 630 K HN 0.461 nan 8.250 nan 0.000 0.453 631 K N 1.226 121.711 120.400 0.142 0.000 2.032 631 K HA -0.167 4.153 4.320 0.001 0.000 0.209 631 K C 2.066 178.747 176.600 0.135 0.000 1.048 631 K CA 1.281 57.634 56.287 0.111 0.000 0.927 631 K CB -0.040 32.508 32.500 0.079 0.000 0.712 631 K HN 0.049 nan 8.250 nan 0.000 0.441 632 L N -0.034 121.288 121.223 0.164 0.000 2.049 632 L HA -0.099 4.241 4.340 0.001 0.000 0.203 632 L C 2.459 179.455 176.870 0.211 0.000 1.074 632 L CA 1.436 56.377 54.840 0.169 0.000 0.749 632 L CB -0.790 41.369 42.059 0.166 0.000 0.907 632 L HN 0.200 nan 8.230 nan 0.000 0.439 633 T N 0.169 114.873 114.554 0.250 0.000 2.760 633 T HA -0.208 4.142 4.350 0.001 0.000 0.269 633 T C 1.782 176.612 174.700 0.218 0.000 1.047 633 T CA 1.374 63.635 62.100 0.269 0.000 1.139 633 T CB -0.752 68.271 68.868 0.259 0.000 0.855 633 T HN 0.603 nan 8.240 nan 0.000 0.471 634 G N 1.971 110.882 108.800 0.185 0.000 2.604 634 G HA2 -0.167 3.794 3.960 0.001 0.000 0.216 634 G HA3 -0.167 3.794 3.960 0.001 0.000 0.216 634 G C 1.449 176.415 174.900 0.110 0.000 1.265 634 G CA 0.904 46.079 45.100 0.125 0.000 0.804 634 G HN 0.545 nan 8.290 nan 0.000 0.579 635 I N -0.234 120.411 120.570 0.124 0.000 2.181 635 I HA -0.306 3.864 4.170 0.001 0.000 0.247 635 I C 2.541 178.749 176.117 0.152 0.000 1.081 635 I CA 1.962 63.334 61.300 0.119 0.000 1.340 635 I CB -0.536 37.536 38.000 0.121 0.000 1.036 635 I HN 0.296 nan 8.210 nan 0.000 0.417 636 Y N 1.826 122.163 120.300 0.063 0.000 2.092 636 Y HA -0.145 4.405 4.550 0.001 0.000 0.282 636 Y C 2.309 178.235 175.900 0.044 0.000 1.126 636 Y CA 1.341 59.472 58.100 0.052 0.000 1.111 636 Y CB -0.729 37.762 38.460 0.052 0.000 0.987 636 Y HN -0.039 nan 8.280 nan 0.000 0.489 637 L N 0.418 121.455 121.223 -0.311 0.000 2.261 637 L HA -0.212 4.128 4.340 0.001 0.000 0.216 637 L C 1.835 178.592 176.870 -0.188 0.000 1.114 637 L CA 1.317 55.919 54.840 -0.397 0.000 0.777 637 L CB -0.473 41.486 42.059 -0.167 0.000 0.910 637 L HN 0.279 nan 8.230 nan 0.000 0.440 638 D N -0.488 119.866 120.400 -0.076 0.000 2.110 638 D HA -0.098 4.543 4.640 0.001 0.000 0.202 638 D C 2.116 178.408 176.300 -0.013 0.000 0.975 638 D CA 1.448 55.436 54.000 -0.020 0.000 0.839 638 D CB -0.401 40.410 40.800 0.018 0.000 0.996 638 D HN 0.261 nan 8.370 nan 0.000 0.464 639 G N 0.946 109.747 108.800 0.002 0.000 2.442 639 G HA2 -0.228 3.733 3.960 0.001 0.000 0.219 639 G HA3 -0.228 3.733 3.960 0.001 0.000 0.219 639 G C 1.533 176.436 174.900 0.006 0.000 1.141 639 G CA 0.469 45.583 45.100 0.025 0.000 0.763 639 G HN 0.217 nan 8.290 nan 0.000 0.554 640 L N 0.441 121.602 121.223 -0.104 0.000 2.191 640 L HA 0.021 4.362 4.340 0.001 0.000 0.212 640 L C 2.389 179.300 176.870 0.069 0.000 1.103 640 L CA 1.727 56.471 54.840 -0.161 0.000 0.769 640 L CB -0.322 41.420 42.059 -0.528 0.000 0.908 640 L HN 0.241 nan 8.230 nan 0.000 0.438 641 E N -0.467 119.756 120.200 0.037 0.000 2.014 641 E HA -0.096 4.254 4.350 0.001 0.000 0.190 641 E C 2.093 178.754 176.600 0.101 0.000 0.980 641 E CA 1.014 57.467 56.400 0.090 0.000 0.807 641 E CB -0.098 29.620 29.700 0.029 0.000 0.770 641 E HN 0.486 nan 8.360 nan 0.000 0.451 642 A N 1.470 124.325 122.820 0.058 0.000 2.032 642 A HA -0.203 4.117 4.320 0.001 0.000 0.221 642 A C 2.302 179.918 177.584 0.053 0.000 1.165 642 A CA 2.089 54.152 52.037 0.043 0.000 0.645 642 A CB -0.585 18.431 19.000 0.027 0.000 0.807 642 A HN 0.353 nan 8.150 nan 0.000 0.453 643 A N -0.048 122.836 122.820 0.106 0.000 1.835 643 A HA 0.156 4.476 4.320 0.001 0.000 0.215 643 A C 2.550 180.185 177.584 0.084 0.000 1.199 643 A CA 2.182 54.301 52.037 0.136 0.000 0.615 643 A CB -1.265 17.923 19.000 0.312 0.000 0.838 643 A HN 1.203 nan 8.150 nan 0.000 0.444 644 A N -0.886 122.048 122.820 0.190 0.000 2.024 644 A HA -0.157 4.164 4.320 0.001 0.000 0.220 644 A C 2.251 179.820 177.584 -0.024 0.000 1.164 644 A CA 1.651 53.691 52.037 0.006 0.000 0.643 644 A CB -0.402 18.698 19.000 0.167 0.000 0.806 644 A HN 0.554 nan 8.150 nan 0.000 0.451 645 R N -0.517 119.992 120.500 0.017 0.000 2.036 645 R HA -0.043 4.298 4.340 0.001 0.000 0.216 645 R C 2.738 179.021 176.300 -0.028 0.000 1.241 645 R CA 1.536 57.636 56.100 -0.001 0.000 0.964 645 R CB -0.528 29.779 30.300 0.012 0.000 0.828 645 R HN 0.635 nan 8.270 nan 0.000 0.468 646 S N -0.459 115.227 115.700 -0.022 0.000 2.470 646 S HA 0.136 4.606 4.470 0.001 0.000 0.225 646 S C 0.796 175.364 174.600 -0.053 0.000 1.006 646 S CA 0.456 58.637 58.200 -0.031 0.000 0.934 646 S CB 0.280 63.469 63.200 -0.018 0.000 0.778 646 S HN 0.708 nan 8.310 nan 0.000 0.517 647 G N 0.371 109.129 108.800 -0.069 0.000 2.629 647 G HA2 0.160 4.120 3.960 0.001 0.000 0.686 647 G HA3 0.160 4.120 3.960 0.001 0.000 0.686 647 G C -1.361 173.490 174.900 -0.080 0.000 1.232 647 G CA -0.410 44.625 45.100 -0.108 0.000 0.803 647 G HN 0.906 nan 8.290 nan 0.000 0.638 648 L N 0.773 121.939 121.223 -0.095 0.000 2.341 648 L HA 0.909 5.250 4.340 0.001 0.000 0.278 648 L C 0.496 177.244 176.870 -0.204 0.000 1.005 648 L CA -0.046 54.717 54.840 -0.128 0.000 0.818 648 L CB 2.059 44.069 42.059 -0.081 0.000 1.259 648 L HN 1.098 nan 8.230 nan 0.000 0.418 649 T N 3.236 117.616 114.554 -0.289 0.000 2.940 649 T HA 0.558 4.908 4.350 0.001 0.000 0.288 649 T C -0.109 174.321 174.700 -0.449 0.000 1.033 649 T CA -0.077 61.880 62.100 -0.237 0.000 1.033 649 T CB 0.626 69.439 68.868 -0.092 0.000 1.079 649 T HN 0.425 nan 8.240 nan 0.000 0.496 650 F N 0.733 120.698 119.950 0.025 0.000 2.772 650 F HA 0.407 4.934 4.527 0.001 0.000 0.316 650 F C 1.077 176.866 175.800 -0.019 0.000 1.114 650 F CA -0.607 57.389 58.000 -0.007 0.000 1.191 650 F CB 0.288 39.235 39.000 -0.088 0.000 1.065 650 F HN 0.515 nan 8.300 nan 0.000 0.534 651 Q N 0.854 120.720 119.800 0.111 0.000 2.485 651 Q HA 0.179 4.520 4.340 0.001 0.000 0.348 651 Q C 1.438 177.447 176.000 0.015 0.000 1.097 651 Q CA 1.579 57.414 55.803 0.055 0.000 1.079 651 Q CB 0.239 28.996 28.738 0.032 0.000 1.108 651 Q HN 0.711 nan 8.270 nan 0.000 0.400 652 G N 3.199 111.975 108.800 -0.040 0.000 2.179 652 G HA2 -0.299 3.662 3.960 0.001 0.000 0.260 652 G HA3 -0.299 3.662 3.960 0.001 0.000 0.260 652 G C -0.163 174.556 174.900 -0.301 0.000 0.977 652 G CA 0.461 45.481 45.100 -0.133 0.000 0.641 652 G HN 0.552 nan 8.290 nan 0.000 0.533 653 K N 0.534 120.813 120.400 -0.200 0.000 2.110 653 K HA 0.579 4.899 4.320 0.001 0.000 0.263 653 K C -0.399 175.998 176.600 -0.338 0.000 0.975 653 K CA -0.821 55.338 56.287 -0.214 0.000 0.895 653 K CB 0.693 33.294 32.500 0.170 0.000 1.060 653 K HN 0.311 nan 8.250 nan 0.000 0.448 654 H N 0.240 119.228 119.070 -0.138 0.000 2.469 654 H HA 0.582 5.138 4.556 0.001 0.000 0.342 654 H C -0.844 174.439 175.328 -0.076 0.000 1.115 654 H CA -0.858 54.999 56.048 -0.317 0.000 1.204 654 H CB 1.915 31.389 29.762 -0.481 0.000 1.492 654 H HN 0.690 nan 8.280 nan 0.000 0.499 655 A N 2.944 125.787 122.820 0.038 0.000 2.486 655 A HA 0.458 4.778 4.320 0.001 0.000 0.300 655 A C -1.280 176.372 177.584 0.114 0.000 1.048 655 A CA -0.681 51.417 52.037 0.101 0.000 0.696 655 A CB 1.781 20.777 19.000 -0.007 0.000 1.278 655 A HN 0.503 nan 8.150 nan 0.000 0.405 656 L N 1.983 123.277 121.223 0.118 0.000 2.325 656 L HA 0.872 5.212 4.340 0.001 0.000 0.279 656 L C -0.517 176.373 176.870 0.033 0.000 1.054 656 L CA -0.147 54.739 54.840 0.076 0.000 0.804 656 L CB 0.888 42.977 42.059 0.048 0.000 1.200 656 L HN 0.696 nan 8.230 nan 0.000 0.436 657 M N 4.889 124.491 119.600 0.005 0.000 2.122 657 M HA 0.274 4.754 4.480 0.001 0.000 0.269 657 M C -0.801 175.505 176.300 0.010 0.000 0.954 657 M CA -0.477 54.826 55.300 0.005 0.000 0.998 657 M CB 1.909 34.499 32.600 -0.017 0.000 1.755 657 M HN 0.792 nan 8.290 nan 0.000 0.459 658 T N -0.978 113.600 114.554 0.041 0.000 2.771 658 T HA 0.727 5.077 4.350 0.001 0.000 0.281 658 T C 0.880 175.669 174.700 0.148 0.000 0.982 658 T CA 0.427 62.570 62.100 0.072 0.000 0.978 658 T CB 1.546 70.452 68.868 0.065 0.000 0.930 658 T HN 1.001 nan 8.240 nan 0.000 0.447 659 G N 1.895 110.780 108.800 0.142 0.000 2.148 659 G HA2 0.001 3.962 3.960 0.001 0.000 0.203 659 G HA3 0.001 3.962 3.960 0.001 0.000 0.203 659 G C 0.531 175.496 174.900 0.108 0.000 0.993 659 G CA -0.271 44.922 45.100 0.154 0.000 0.661 659 G HN 1.534 nan 8.290 nan 0.000 0.518 660 A N 0.693 123.572 122.820 0.098 0.000 2.728 660 A HA 0.653 4.974 4.320 0.001 0.000 0.258 660 A C 1.525 179.188 177.584 0.132 0.000 1.454 660 A CA 1.183 53.270 52.037 0.084 0.000 1.146 660 A CB -0.604 18.470 19.000 0.123 0.000 0.985 660 A HN 1.731 nan 8.150 nan 0.000 0.603 661 G N -0.502 108.344 108.800 0.077 0.000 2.664 661 G HA2 0.442 4.403 3.960 0.001 0.000 0.242 661 G HA3 0.442 4.403 3.960 0.001 0.000 0.242 661 G C 0.538 175.357 174.900 -0.135 0.000 1.225 661 G CA 0.078 45.185 45.100 0.010 0.000 0.849 661 G HN 1.029 nan 8.290 nan 0.000 0.581 662 A N -0.560 122.022 122.820 -0.397 0.000 2.511 662 A HA 0.539 4.859 4.320 0.001 0.000 0.242 662 A C 1.530 178.970 177.584 -0.239 0.000 1.069 662 A CA 1.009 52.652 52.037 -0.655 0.000 0.763 662 A CB -0.375 17.936 19.000 -1.149 0.000 1.001 662 A HN 2.652 nan 8.150 nan 0.000 0.498 663 G N 1.168 109.910 108.800 -0.096 0.000 2.298 663 G HA2 0.076 4.036 3.960 0.001 0.000 0.287 663 G HA3 0.076 4.036 3.960 0.001 0.000 0.287 663 G C 0.207 175.094 174.900 -0.020 0.000 1.075 663 G CA 0.943 46.024 45.100 -0.032 0.000 0.960 663 G HN 2.383 nan 8.290 nan 0.000 0.502 664 S N -1.683 114.007 115.700 -0.016 0.000 2.627 664 S HA 0.735 5.205 4.470 0.001 0.000 0.283 664 S C 1.313 175.901 174.600 -0.019 0.000 1.127 664 S CA -0.408 57.787 58.200 -0.008 0.000 0.863 664 S CB 1.595 64.790 63.200 -0.009 0.000 1.121 664 S HN 0.333 nan 8.310 nan 0.000 0.479 665 I N 1.346 121.912 120.570 -0.007 0.000 2.151 665 I HA -0.113 4.057 4.170 0.001 0.000 0.243 665 I C 2.716 178.716 176.117 -0.194 0.000 1.080 665 I CA 1.907 63.179 61.300 -0.047 0.000 1.339 665 I CB -1.034 36.985 38.000 0.032 0.000 1.039 665 I HN 0.929 nan 8.210 nan 0.000 0.409 666 G N 0.486 109.119 108.800 -0.278 0.000 2.442 666 G HA2 -0.250 3.710 3.960 0.001 0.000 0.219 666 G HA3 -0.250 3.710 3.960 0.001 0.000 0.219 666 G C 1.870 176.651 174.900 -0.199 0.000 1.141 666 G CA 0.908 45.782 45.100 -0.377 0.000 0.763 666 G HN 0.516 nan 8.290 nan 0.000 0.554 667 A N 0.714 123.471 122.820 -0.104 0.000 1.883 667 A HA -0.057 4.264 4.320 0.001 0.000 0.217 667 A C 2.272 179.798 177.584 -0.097 0.000 1.186 667 A CA 2.001 54.002 52.037 -0.059 0.000 0.624 667 A CB -0.343 18.661 19.000 0.007 0.000 0.822 667 A HN 0.304 nan 8.150 nan 0.000 0.444 668 E N -0.144 120.000 120.200 -0.095 0.000 2.031 668 E HA -0.122 4.228 4.350 0.001 0.000 0.193 668 E C 2.237 178.734 176.600 -0.171 0.000 0.994 668 E CA 1.365 57.704 56.400 -0.102 0.000 0.800 668 E CB -0.828 28.843 29.700 -0.048 0.000 0.752 668 E HN 0.356 nan 8.360 nan 0.000 0.447 669 V N 2.027 121.820 119.914 -0.201 0.000 2.380 669 V HA -0.271 3.849 4.120 0.001 0.000 0.251 669 V C 2.535 178.454 176.094 -0.293 0.000 1.063 669 V CA 1.663 63.805 62.300 -0.264 0.000 1.055 669 V CB -0.660 30.977 31.823 -0.310 0.000 0.657 669 V HN 0.163 nan 8.190 nan 0.000 0.455 670 L N 0.491 121.576 121.223 -0.228 0.000 1.955 670 L HA -0.253 4.087 4.340 0.001 0.000 0.213 670 L C 2.626 179.386 176.870 -0.184 0.000 1.072 670 L CA 2.145 56.875 54.840 -0.183 0.000 0.755 670 L CB -0.840 41.162 42.059 -0.094 0.000 0.888 670 L HN 0.394 nan 8.230 nan 0.000 0.432 671 Q N -0.246 119.453 119.800 -0.169 0.000 2.173 671 Q HA -0.213 4.128 4.340 0.001 0.000 0.208 671 Q C 2.081 177.965 176.000 -0.192 0.000 0.989 671 Q CA 1.477 57.188 55.803 -0.154 0.000 0.872 671 Q CB -0.938 27.711 28.738 -0.147 0.000 0.909 671 Q HN 0.760 nan 8.270 nan 0.000 0.420 672 G N 1.782 110.381 108.800 -0.336 0.000 2.587 672 G HA2 -0.269 3.692 3.960 0.001 0.000 0.217 672 G HA3 -0.269 3.692 3.960 0.001 0.000 0.217 672 G C 1.341 176.104 174.900 -0.228 0.000 1.240 672 G CA 1.171 45.955 45.100 -0.527 0.000 0.794 672 G HN 0.211 nan 8.290 nan 0.000 0.580 673 L N 0.378 121.373 121.223 -0.381 0.000 2.187 673 L HA -0.016 4.325 4.340 0.001 0.000 0.213 673 L C 2.793 179.588 176.870 -0.125 0.000 1.100 673 L CA 0.725 55.291 54.840 -0.458 0.000 0.765 673 L CB -0.426 41.215 42.059 -0.696 0.000 0.904 673 L HN 0.166 nan 8.230 nan 0.000 0.437 674 L N -1.675 119.496 121.223 -0.086 0.000 2.156 674 L HA -0.133 4.208 4.340 0.001 0.000 0.208 674 L C 2.525 179.410 176.870 0.025 0.000 1.095 674 L CA 0.768 55.612 54.840 0.006 0.000 0.770 674 L CB -0.372 41.701 42.059 0.023 0.000 0.914 674 L HN 0.200 nan 8.230 nan 0.000 0.439 675 S N -0.356 115.366 115.700 0.036 0.000 2.406 675 S HA 0.010 4.480 4.470 0.001 0.000 0.228 675 S C 1.213 175.889 174.600 0.127 0.000 1.020 675 S CA 0.608 58.854 58.200 0.076 0.000 0.965 675 S CB -0.236 63.036 63.200 0.121 0.000 0.798 675 S HN 0.520 nan 8.310 nan 0.000 0.488 676 G N -0.020 108.907 108.800 0.212 0.000 2.611 676 G HA2 0.406 4.366 3.960 0.001 0.000 0.273 676 G HA3 0.406 4.366 3.960 0.001 0.000 0.273 676 G C 0.797 175.786 174.900 0.147 0.000 1.305 676 G CA -0.101 45.135 45.100 0.227 0.000 1.010 676 G HN 0.357 nan 8.290 nan 0.000 0.509 677 G N -0.837 108.038 108.800 0.125 0.000 3.234 677 G HA2 0.412 4.373 3.960 0.001 0.000 0.221 677 G HA3 0.412 4.373 3.960 0.001 0.000 0.221 677 G C 0.718 175.652 174.900 0.057 0.000 1.229 677 G CA 0.743 45.892 45.100 0.081 0.000 0.909 677 G HN 0.890 nan 8.290 nan 0.000 0.510 678 A N 0.388 123.240 122.820 0.054 0.000 2.425 678 A HA 0.538 4.858 4.320 0.001 0.000 0.249 678 A C 0.317 177.877 177.584 -0.038 0.000 1.084 678 A CA -0.146 51.870 52.037 -0.034 0.000 0.781 678 A CB 0.482 19.394 19.000 -0.147 0.000 1.019 678 A HN 0.306 nan 8.150 nan 0.000 0.490 679 K N 1.399 121.727 120.400 -0.119 0.000 2.263 679 K HA 0.490 4.810 4.320 0.001 0.000 0.272 679 K C -0.587 175.879 176.600 -0.223 0.000 1.033 679 K CA -0.381 55.792 56.287 -0.190 0.000 0.884 679 K CB 1.374 33.603 32.500 -0.452 0.000 1.107 679 K HN 0.583 nan 8.250 nan 0.000 0.460 680 V N 0.984 120.899 119.914 0.001 0.000 2.815 680 V HA 0.593 4.713 4.120 0.001 0.000 0.314 680 V C -0.350 175.928 176.094 0.307 0.000 1.064 680 V CA -1.144 61.216 62.300 0.100 0.000 0.952 680 V CB 1.860 33.696 31.823 0.023 0.000 1.020 680 V HN 0.742 nan 8.190 nan 0.000 0.439 681 I N 2.858 123.609 120.570 0.302 0.000 2.382 681 I HA 0.654 4.824 4.170 0.001 0.000 0.286 681 I C -1.083 175.060 176.117 0.043 0.000 1.002 681 I CA -0.609 60.790 61.300 0.165 0.000 1.135 681 I CB 1.402 39.465 38.000 0.105 0.000 1.288 681 I HN 0.566 nan 8.210 nan 0.000 0.448 682 V N 5.705 125.614 119.914 -0.008 0.000 2.435 682 V HA 0.464 4.584 4.120 0.001 0.000 0.290 682 V C 0.352 176.391 176.094 -0.092 0.000 1.030 682 V CA -0.490 61.792 62.300 -0.030 0.000 0.881 682 V CB 1.694 33.529 31.823 0.019 0.000 0.983 682 V HN 0.800 nan 8.190 nan 0.000 0.445 683 T N 0.649 115.172 114.554 -0.051 0.000 2.794 683 T HA 0.606 4.957 4.350 0.001 0.000 0.280 683 T C -0.328 174.413 174.700 0.069 0.000 0.987 683 T CA -0.512 61.592 62.100 0.007 0.000 0.993 683 T CB 1.547 70.386 68.868 -0.048 0.000 0.939 683 T HN 0.632 nan 8.240 nan 0.000 0.449 684 T N 1.161 115.765 114.554 0.084 0.000 2.876 684 T HA 0.506 4.856 4.350 0.001 0.000 0.289 684 T C 1.020 175.806 174.700 0.143 0.000 1.014 684 T CA -0.358 61.786 62.100 0.073 0.000 0.986 684 T CB 1.419 70.244 68.868 -0.072 0.000 1.021 684 T HN 0.841 nan 8.240 nan 0.000 0.458 685 S N 3.485 119.248 115.700 0.105 0.000 2.540 685 S HA 0.266 4.736 4.470 0.001 0.000 0.218 685 S C 0.487 175.124 174.600 0.063 0.000 0.977 685 S CA -0.496 57.749 58.200 0.075 0.000 0.918 685 S CB 0.008 63.230 63.200 0.037 0.000 0.806 685 S HN 0.668 nan 8.310 nan 0.000 0.496 686 R N 0.855 121.397 120.500 0.070 0.000 2.547 686 R HA 0.340 4.681 4.340 0.001 0.000 0.280 686 R C -1.571 174.785 176.300 0.093 0.000 1.630 686 R CA -0.358 55.781 56.100 0.065 0.000 1.470 686 R CB 0.255 30.571 30.300 0.026 0.000 1.178 686 R HN 0.359 nan 8.270 nan 0.000 0.591 687 F N 3.133 123.073 119.950 -0.018 0.000 2.567 687 F HA 0.190 4.717 4.527 0.001 0.000 0.352 687 F C -0.048 175.742 175.800 -0.017 0.000 1.229 687 F CA -0.261 57.723 58.000 -0.027 0.000 1.228 687 F CB 0.349 39.321 39.000 -0.048 0.000 1.568 687 F HN 0.319 nan 8.300 nan 0.000 0.634 688 S N 4.000 119.765 115.700 0.109 0.000 2.689 688 S HA 0.422 4.892 4.470 0.001 0.000 0.306 688 S C 1.082 175.705 174.600 0.039 0.000 1.104 688 S CA -1.108 57.158 58.200 0.110 0.000 0.973 688 S CB 1.923 65.161 63.200 0.062 0.000 1.121 688 S HN 0.691 nan 8.310 nan 0.000 0.523 689 R N 0.429 120.965 120.500 0.059 0.000 2.105 689 R HA -0.166 4.174 4.340 0.001 0.000 0.239 689 R C 2.187 178.497 176.300 0.017 0.000 1.135 689 R CA 1.734 57.854 56.100 0.033 0.000 0.967 689 R CB -0.481 29.841 30.300 0.037 0.000 0.861 689 R HN 0.885 nan 8.270 nan 0.000 0.442 690 Q N 0.195 120.010 119.800 0.024 0.000 2.096 690 Q HA -0.147 4.193 4.340 0.001 0.000 0.204 690 Q C 1.870 177.900 176.000 0.049 0.000 0.982 690 Q CA 1.968 57.788 55.803 0.027 0.000 0.850 690 Q CB 0.109 28.858 28.738 0.019 0.000 0.901 690 Q HN 0.281 nan 8.270 nan 0.000 0.422 691 V N 0.113 120.044 119.914 0.028 0.000 2.535 691 V HA -0.158 3.962 4.120 0.001 0.000 0.246 691 V C 2.234 178.411 176.094 0.138 0.000 1.045 691 V CA 1.777 64.132 62.300 0.091 0.000 1.058 691 V CB -0.475 31.347 31.823 -0.002 0.000 0.689 691 V HN 0.430 nan 8.190 nan 0.000 0.461 692 T N -0.108 114.408 114.554 -0.063 0.000 2.635 692 T HA -0.253 4.098 4.350 0.001 0.000 0.267 692 T C 1.798 176.568 174.700 0.116 0.000 1.040 692 T CA 1.986 64.061 62.100 -0.041 0.000 1.156 692 T CB -0.213 68.623 68.868 -0.054 0.000 0.863 692 T HN 0.566 nan 8.240 nan 0.000 0.430 693 E N -0.179 120.056 120.200 0.059 0.000 2.023 693 E HA -0.170 4.180 4.350 0.001 0.000 0.196 693 E C 1.973 178.587 176.600 0.024 0.000 1.003 693 E CA 1.440 57.837 56.400 -0.005 0.000 0.809 693 E CB -0.412 29.273 29.700 -0.024 0.000 0.755 693 E HN 0.607 nan 8.360 nan 0.000 0.449 694 Y N 0.779 121.065 120.300 -0.023 0.000 2.062 694 Y HA -0.381 4.170 4.550 0.001 0.000 0.273 694 Y C 2.076 177.916 175.900 -0.100 0.000 1.206 694 Y CA 2.117 60.171 58.100 -0.077 0.000 1.125 694 Y CB -0.683 37.728 38.460 -0.082 0.000 0.951 694 Y HN 0.099 nan 8.280 nan 0.000 0.501 695 Y N 0.326 120.608 120.300 -0.029 0.000 2.200 695 Y HA -0.249 4.302 4.550 0.001 0.000 0.290 695 Y C 2.771 178.638 175.900 -0.055 0.000 1.137 695 Y CA 1.739 59.808 58.100 -0.052 0.000 1.163 695 Y CB -0.916 37.637 38.460 0.155 0.000 0.988 695 Y HN 0.431 nan 8.280 nan 0.000 0.518 696 Q N 0.022 119.828 119.800 0.008 0.000 2.167 696 Q HA -0.047 4.293 4.340 0.001 0.000 0.202 696 Q C 2.327 178.074 176.000 -0.420 0.000 0.970 696 Q CA 1.791 57.312 55.803 -0.470 0.000 0.855 696 Q CB -1.106 27.083 28.738 -0.915 0.000 0.911 696 Q HN 0.311 nan 8.270 nan 0.000 0.438 697 G N 1.657 110.238 108.800 -0.365 0.000 2.514 697 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 697 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 697 G C 1.503 176.172 174.900 -0.385 0.000 1.198 697 G CA 1.210 46.074 45.100 -0.393 0.000 0.780 697 G HN 0.389 nan 8.290 nan 0.000 0.565 698 I N -0.586 119.734 120.570 -0.418 0.000 2.145 698 I HA -0.282 3.889 4.170 0.001 0.000 0.244 698 I C 2.506 178.509 176.117 -0.190 0.000 1.075 698 I CA 1.784 62.874 61.300 -0.350 0.000 1.332 698 I CB -0.256 37.478 38.000 -0.443 0.000 1.033 698 I HN 0.298 nan 8.210 nan 0.000 0.410 699 Y N 1.215 121.379 120.300 -0.225 0.000 2.439 699 Y HA -0.080 4.470 4.550 0.001 0.000 0.292 699 Y C 2.365 178.137 175.900 -0.212 0.000 1.130 699 Y CA 0.973 58.998 58.100 -0.125 0.000 1.254 699 Y CB -0.145 38.333 38.460 0.029 0.000 1.000 699 Y HN 0.120 nan 8.280 nan 0.000 0.554 700 A N 0.109 122.656 122.820 -0.454 0.000 2.066 700 A HA -0.069 4.252 4.320 0.001 0.000 0.218 700 A C 2.050 179.419 177.584 -0.357 0.000 1.157 700 A CA 1.151 52.763 52.037 -0.709 0.000 0.670 700 A CB -0.202 18.203 19.000 -0.993 0.000 0.804 700 A HN 0.347 nan 8.150 nan 0.000 0.453 701 R N -1.798 118.520 120.500 -0.303 0.000 2.225 701 R HA 0.159 4.499 4.340 0.001 0.000 0.194 701 R C 1.079 177.275 176.300 -0.174 0.000 0.957 701 R CA 0.953 56.930 56.100 -0.205 0.000 1.042 701 R CB -0.665 29.517 30.300 -0.196 0.000 1.004 701 R HN 0.517 nan 8.270 nan 0.000 0.509 702 C N 0.038 119.210 119.300 -0.213 0.000 3.336 702 C HA 0.350 4.811 4.460 0.001 0.000 0.291 702 C C 1.219 176.086 174.990 -0.204 0.000 1.363 702 C CA -0.774 58.149 59.018 -0.160 0.000 1.737 702 C CB 0.002 27.669 27.740 -0.121 0.000 2.274 702 C HN 0.364 nan 8.230 nan 0.000 0.663 703 G N 1.754 110.295 108.800 -0.431 0.000 2.605 703 G HA2 0.481 4.441 3.960 0.001 0.000 0.301 703 G HA3 0.481 4.441 3.960 0.001 0.000 0.301 703 G C 0.377 175.121 174.900 -0.260 0.000 0.881 703 G CA 0.387 45.106 45.100 -0.636 0.000 1.553 703 G HN 0.598 nan 8.290 nan 0.000 0.483 704 A N 3.705 126.474 122.820 -0.085 0.000 2.386 704 A HA 0.557 4.877 4.320 0.001 0.000 0.248 704 A C 1.072 178.683 177.584 0.045 0.000 1.082 704 A CA -0.668 51.367 52.037 -0.003 0.000 0.789 704 A CB 0.288 19.306 19.000 0.031 0.000 1.025 704 A HN 0.927 nan 8.150 nan 0.000 0.490 705 R N 0.972 121.512 120.500 0.066 0.000 2.678 705 R HA 0.341 4.681 4.340 0.001 0.000 0.264 705 R C 1.074 177.435 176.300 0.102 0.000 0.995 705 R CA 0.379 56.541 56.100 0.102 0.000 1.098 705 R CB -0.229 30.128 30.300 0.095 0.000 0.949 705 R HN 1.909 nan 8.270 nan 0.000 0.422 706 G N 0.957 109.831 108.800 0.124 0.000 2.320 706 G HA2 -0.386 3.574 3.960 0.001 0.000 0.242 706 G HA3 -0.386 3.574 3.960 0.001 0.000 0.242 706 G C 0.234 175.207 174.900 0.122 0.000 1.033 706 G CA 0.305 45.468 45.100 0.105 0.000 0.620 706 G HN 1.067 nan 8.290 nan 0.000 0.517 707 S N -0.321 115.476 115.700 0.162 0.000 2.614 707 S HA 0.660 5.131 4.470 0.001 0.000 0.265 707 S C -0.199 174.590 174.600 0.315 0.000 1.303 707 S CA 0.832 59.157 58.200 0.209 0.000 1.000 707 S CB 2.004 65.339 63.200 0.226 0.000 0.935 707 S HN 1.163 nan 8.310 nan 0.000 0.551 708 Q N 0.581 120.535 119.800 0.258 0.000 2.320 708 Q HA 0.527 4.867 4.340 0.001 0.000 0.272 708 Q C -2.175 173.869 176.000 0.072 0.000 1.023 708 Q CA -0.637 55.250 55.803 0.140 0.000 0.855 708 Q CB 1.620 30.457 28.738 0.164 0.000 1.367 708 Q HN 0.835 nan 8.270 nan 0.000 0.406 709 L N 4.446 125.563 121.223 -0.176 0.000 2.349 709 L HA 0.647 4.988 4.340 0.001 0.000 0.278 709 L C -1.495 175.257 176.870 -0.197 0.000 0.996 709 L CA -0.812 53.972 54.840 -0.093 0.000 0.825 709 L CB 1.837 43.865 42.059 -0.052 0.000 1.243 709 L HN 0.534 nan 8.230 nan 0.000 0.412 710 V N 5.863 125.721 119.914 -0.092 0.000 2.349 710 V HA 0.354 4.474 4.120 0.001 0.000 0.284 710 V C 0.044 176.018 176.094 -0.200 0.000 1.014 710 V CA -0.539 61.649 62.300 -0.187 0.000 0.826 710 V CB 1.901 33.657 31.823 -0.112 0.000 1.009 710 V HN 0.452 nan 8.190 nan 0.000 0.431 711 V N 5.638 125.342 119.914 -0.350 0.000 2.617 711 V HA 0.683 4.803 4.120 0.001 0.000 0.298 711 V C -0.091 175.922 176.094 -0.134 0.000 1.048 711 V CA -0.430 61.668 62.300 -0.337 0.000 0.964 711 V CB 2.000 33.472 31.823 -0.585 0.000 1.004 711 V HN 0.560 nan 8.190 nan 0.000 0.466 712 V N 4.847 124.754 119.914 -0.012 0.000 3.048 712 V HA 0.475 4.595 4.120 0.001 0.000 0.303 712 V C -2.685 173.602 176.094 0.323 0.000 1.214 712 V CA -1.636 60.775 62.300 0.185 0.000 0.984 712 V CB 3.236 35.163 31.823 0.172 0.000 1.054 712 V HN 0.773 nan 8.190 nan 0.000 0.430 713 P HA 0.566 nan 4.420 nan 0.000 0.284 713 P C -1.395 176.127 177.300 0.370 0.000 1.253 713 P CA -0.171 63.133 63.100 0.340 0.000 0.800 713 P CB 0.767 32.455 31.700 -0.020 0.000 0.961 714 F N 2.014 122.038 119.950 0.123 0.000 2.713 714 F HA 0.526 5.053 4.527 0.001 0.000 0.311 714 F C -1.776 174.047 175.800 0.038 0.000 1.141 714 F CA -0.672 57.387 58.000 0.098 0.000 0.939 714 F CB 2.028 41.072 39.000 0.073 0.000 1.325 714 F HN 0.288 nan 8.300 nan 0.000 0.453 715 N N 2.924 120.991 118.700 -1.056 0.000 2.701 715 N HA 0.148 4.889 4.740 0.001 0.000 0.258 715 N C -0.444 174.500 175.510 -0.944 0.000 1.262 715 N CA -0.204 52.438 53.050 -0.680 0.000 0.780 715 N CB 1.272 39.527 38.487 -0.387 0.000 1.380 715 N HN 0.785 nan 8.380 nan 0.000 0.548 716 Q N 1.610 121.016 119.800 -0.657 0.000 2.561 716 Q HA -0.010 4.330 4.340 0.001 0.000 0.217 716 Q C 1.489 177.357 176.000 -0.221 0.000 0.980 716 Q CA 1.113 56.731 55.803 -0.309 0.000 0.927 716 Q CB 0.107 28.936 28.738 0.153 0.000 0.980 716 Q HN 0.773 nan 8.270 nan 0.000 0.525 717 G N -0.374 108.266 108.800 -0.266 0.000 2.650 717 G HA2 -0.098 3.862 3.960 0.001 0.000 0.214 717 G HA3 -0.098 3.862 3.960 0.001 0.000 0.214 717 G C 0.346 175.089 174.900 -0.261 0.000 1.136 717 G CA 0.253 45.206 45.100 -0.245 0.000 0.789 717 G HN 0.238 nan 8.290 nan 0.000 0.536 718 S N -0.258 115.268 115.700 -0.291 0.000 2.433 718 S HA 0.319 4.790 4.470 0.001 0.000 0.310 718 S C 1.255 175.748 174.600 -0.178 0.000 1.097 718 S CA -0.566 57.490 58.200 -0.240 0.000 1.103 718 S CB 1.576 64.621 63.200 -0.257 0.000 0.992 718 S HN 0.293 nan 8.310 nan 0.000 0.469 719 K N 3.881 124.206 120.400 -0.124 0.000 2.063 719 K HA -0.188 4.133 4.320 0.001 0.000 0.208 719 K C 1.694 178.252 176.600 -0.070 0.000 1.048 719 K CA 1.821 58.059 56.287 -0.081 0.000 0.928 719 K CB -0.172 32.289 32.500 -0.064 0.000 0.713 719 K HN 0.797 nan 8.250 nan 0.000 0.442 720 Q N 0.332 120.083 119.800 -0.081 0.000 2.046 720 Q HA -0.158 4.182 4.340 0.001 0.000 0.200 720 Q C 1.895 177.872 176.000 -0.039 0.000 0.975 720 Q CA 1.613 57.382 55.803 -0.057 0.000 0.836 720 Q CB -0.107 28.596 28.738 -0.060 0.000 0.896 720 Q HN 0.340 nan 8.270 nan 0.000 0.428 721 D N 0.125 120.481 120.400 -0.072 0.000 2.126 721 D HA -0.171 4.470 4.640 0.001 0.000 0.190 721 D C 1.927 178.293 176.300 0.111 0.000 1.001 721 D CA 1.073 55.044 54.000 -0.048 0.000 0.841 721 D CB -0.306 40.290 40.800 -0.340 0.000 0.949 721 D HN 0.004 nan 8.370 nan 0.000 0.446 722 V N 1.140 121.121 119.914 0.111 0.000 2.219 722 V HA -0.267 3.854 4.120 0.001 0.000 0.248 722 V C 2.142 178.257 176.094 0.035 0.000 1.053 722 V CA 2.097 64.520 62.300 0.205 0.000 1.009 722 V CB -0.509 31.374 31.823 0.100 0.000 0.636 722 V HN 0.306 nan 8.190 nan 0.000 0.445 723 E N -0.165 120.025 120.200 -0.017 0.000 2.409 723 E HA -0.090 4.260 4.350 0.001 0.000 0.198 723 E C 2.024 178.586 176.600 -0.063 0.000 1.024 723 E CA 0.952 57.322 56.400 -0.051 0.000 0.861 723 E CB -0.178 29.493 29.700 -0.049 0.000 0.788 723 E HN 0.646 nan 8.360 nan 0.000 0.521 724 A N 1.300 124.077 122.820 -0.072 0.000 1.901 724 A HA 0.018 4.338 4.320 0.001 0.000 0.210 724 A C 2.081 179.456 177.584 -0.348 0.000 1.208 724 A CA 0.029 52.007 52.037 -0.098 0.000 0.644 724 A CB -0.487 18.524 19.000 0.019 0.000 0.863 724 A HN 0.209 nan 8.150 nan 0.000 0.454 725 L N 0.339 121.208 121.223 -0.591 0.000 1.997 725 L HA -0.218 4.123 4.340 0.001 0.000 0.216 725 L C 2.393 179.049 176.870 -0.356 0.000 1.074 725 L CA 2.004 56.343 54.840 -0.834 0.000 0.763 725 L CB -0.333 41.382 42.059 -0.574 0.000 0.890 725 L HN 0.246 nan 8.230 nan 0.000 0.434 726 V N 0.528 120.323 119.914 -0.199 0.000 2.453 726 V HA -0.303 3.817 4.120 0.001 0.000 0.252 726 V C 2.015 178.113 176.094 0.007 0.000 1.068 726 V CA 2.078 64.330 62.300 -0.079 0.000 1.070 726 V CB -0.816 30.941 31.823 -0.110 0.000 0.664 726 V HN 0.576 nan 8.190 nan 0.000 0.461 727 N N -1.368 117.321 118.700 -0.019 0.000 2.415 727 N HA -0.067 4.673 4.740 0.001 0.000 0.176 727 N C 1.574 177.143 175.510 0.100 0.000 1.042 727 N CA 0.630 53.709 53.050 0.049 0.000 0.902 727 N CB -0.388 38.120 38.487 0.035 0.000 0.986 727 N HN 0.583 nan 8.380 nan 0.000 0.447 728 Y N 1.899 122.169 120.300 -0.050 0.000 2.181 728 Y HA -0.003 4.547 4.550 0.001 0.000 0.288 728 Y C 1.880 177.711 175.900 -0.114 0.000 1.146 728 Y CA 1.159 59.251 58.100 -0.014 0.000 1.164 728 Y CB -0.307 38.226 38.460 0.121 0.000 0.982 728 Y HN -0.042 nan 8.280 nan 0.000 0.515 729 I N -1.430 119.054 120.570 -0.143 0.000 2.315 729 I HA -0.321 3.849 4.170 0.001 0.000 0.248 729 I C 1.291 177.239 176.117 -0.280 0.000 1.117 729 I CA 1.650 62.774 61.300 -0.293 0.000 1.404 729 I CB -0.504 37.459 38.000 -0.061 0.000 1.071 729 I HN 0.172 nan 8.210 nan 0.000 0.419 730 Y N -0.162 120.046 120.300 -0.153 0.000 2.458 730 Y HA 0.125 4.675 4.550 0.001 0.000 0.256 730 Y C 0.593 176.464 175.900 -0.049 0.000 1.159 730 Y CA -0.669 57.387 58.100 -0.073 0.000 1.261 730 Y CB 0.242 38.690 38.460 -0.020 0.000 1.119 730 Y HN 0.025 nan 8.280 nan 0.000 0.524 731 D N 0.285 120.698 120.400 0.023 0.000 2.343 731 D HA -0.037 4.603 4.640 0.001 0.000 0.255 731 D C 1.464 177.747 176.300 -0.028 0.000 1.187 731 D CA 0.516 54.526 54.000 0.016 0.000 0.875 731 D CB 1.336 42.147 40.800 0.017 0.000 1.136 731 D HN 0.234 nan 8.370 nan 0.000 0.469 732 T N 2.209 116.775 114.554 0.019 0.000 2.812 732 T HA -0.122 4.228 4.350 0.001 0.000 0.264 732 T C 1.479 176.174 174.700 -0.008 0.000 1.042 732 T CA 1.255 63.363 62.100 0.013 0.000 1.140 732 T CB 0.017 68.913 68.868 0.046 0.000 0.870 732 T HN 0.324 nan 8.240 nan 0.000 0.445 733 K N 0.744 121.145 120.400 0.001 0.000 1.992 733 K HA 0.138 4.458 4.320 0.001 0.000 0.210 733 K C 2.129 178.723 176.600 -0.009 0.000 1.036 733 K CA 1.560 57.847 56.287 -0.000 0.000 0.946 733 K CB -0.070 32.436 32.500 0.009 0.000 0.742 733 K HN 0.223 nan 8.250 nan 0.000 0.442 734 N N -0.230 118.471 118.700 0.001 0.000 2.282 734 N HA 0.075 4.815 4.740 0.001 0.000 0.185 734 N C 0.476 175.995 175.510 0.016 0.000 1.099 734 N CA 0.272 53.331 53.050 0.016 0.000 0.878 734 N CB 0.538 39.048 38.487 0.038 0.000 0.993 734 N HN 0.190 nan 8.380 nan 0.000 0.481 735 G N 0.350 109.116 108.800 -0.057 0.000 2.489 735 G HA2 0.302 4.262 3.960 0.001 0.000 0.271 735 G HA3 0.302 4.262 3.960 0.001 0.000 0.271 735 G C 0.655 175.262 174.900 -0.488 0.000 1.427 735 G CA -0.447 44.497 45.100 -0.259 0.000 1.057 735 G HN 0.258 nan 8.290 nan 0.000 0.532 736 L N -2.019 118.681 121.223 -0.872 0.000 2.818 736 L HA 0.449 4.790 4.340 0.001 0.000 0.243 736 L C 1.158 177.629 176.870 -0.665 0.000 1.185 736 L CA 0.367 54.716 54.840 -0.818 0.000 0.988 736 L CB -0.326 41.017 42.059 -1.192 0.000 1.292 736 L HN 0.843 nan 8.230 nan 0.000 0.519 737 G N 0.717 109.264 108.800 -0.422 0.000 2.441 737 G HA2 -0.263 3.697 3.960 0.001 0.000 0.298 737 G HA3 -0.263 3.697 3.960 0.001 0.000 0.298 737 G C -0.138 174.703 174.900 -0.098 0.000 0.949 737 G CA 0.440 45.425 45.100 -0.193 0.000 1.072 737 G HN 0.548 nan 8.290 nan 0.000 0.512 738 W N -0.741 120.272 121.300 -0.479 0.000 2.169 738 W HA 0.726 5.387 4.660 0.001 0.000 0.447 738 W C 0.359 176.411 176.519 -0.779 0.000 1.829 738 W CA -1.022 55.944 57.345 -0.631 0.000 2.025 738 W CB 0.625 29.648 29.460 -0.727 0.000 1.542 738 W HN 0.161 nan 8.180 nan 0.000 0.727 739 D N 0.017 120.185 120.400 -0.387 0.000 2.934 739 D HA 0.323 4.963 4.640 0.001 0.000 0.230 739 D C -1.270 174.943 176.300 -0.144 0.000 1.204 739 D CA -0.403 53.260 54.000 -0.563 0.000 0.873 739 D CB 1.545 41.976 40.800 -0.615 0.000 1.645 739 D HN 0.123 nan 8.370 nan 0.000 0.502 740 L N 2.901 124.098 121.223 -0.043 0.000 2.326 740 L HA 0.277 4.618 4.340 0.001 0.000 0.278 740 L C 0.928 177.855 176.870 0.095 0.000 1.092 740 L CA -0.361 54.542 54.840 0.106 0.000 0.810 740 L CB 1.128 43.296 42.059 0.182 0.000 1.153 740 L HN 0.422 nan 8.230 nan 0.000 0.439 741 D N 1.066 121.525 120.400 0.099 0.000 2.463 741 D HA 0.085 4.725 4.640 0.001 0.000 0.237 741 D C -0.461 175.747 176.300 -0.153 0.000 1.013 741 D CA 0.946 54.939 54.000 -0.012 0.000 0.910 741 D CB 0.566 41.391 40.800 0.043 0.000 1.080 741 D HN 0.290 nan 8.370 nan 0.000 0.498 742 Y N -0.125 120.190 120.300 0.026 0.000 2.499 742 Y HA 0.528 5.078 4.550 0.001 0.000 0.347 742 Y C -0.307 175.612 175.900 0.031 0.000 0.987 742 Y CA -1.009 57.103 58.100 0.020 0.000 1.044 742 Y CB 2.641 41.079 38.460 -0.037 0.000 1.245 742 Y HN -0.427 nan 8.280 nan 0.000 0.461 743 V N 3.448 123.471 119.914 0.182 0.000 2.482 743 V HA 0.368 4.488 4.120 0.001 0.000 0.295 743 V C -1.108 175.067 176.094 0.136 0.000 1.026 743 V CA -0.788 61.588 62.300 0.127 0.000 0.856 743 V CB 1.837 33.713 31.823 0.089 0.000 1.001 743 V HN 0.553 nan 8.190 nan 0.000 0.424 744 V N 7.700 127.695 119.914 0.135 0.000 2.276 744 V HA 0.320 4.441 4.120 0.001 0.000 0.268 744 V C -2.412 173.875 176.094 0.322 0.000 1.032 744 V CA -1.531 60.903 62.300 0.222 0.000 0.810 744 V CB 1.521 33.397 31.823 0.087 0.000 1.060 744 V HN 0.728 nan 8.190 nan 0.000 0.446 745 P HA 0.282 nan 4.420 nan 0.000 0.225 745 P C -0.015 177.372 177.300 0.144 0.000 1.813 745 P CA -0.069 63.124 63.100 0.156 0.000 1.013 745 P CB -0.255 31.461 31.700 0.027 0.000 1.961 746 F N 0.556 120.511 119.950 0.007 0.000 2.713 746 F HA 0.313 4.841 4.527 0.001 0.000 0.294 746 F C 1.392 177.208 175.800 0.027 0.000 1.152 746 F CA -0.945 57.062 58.000 0.012 0.000 1.385 746 F CB -0.668 38.335 39.000 0.006 0.000 0.981 746 F HN 0.088 nan 8.300 nan 0.000 0.514 747 A N 1.182 124.099 122.820 0.162 0.000 2.524 747 A HA 0.583 4.904 4.320 0.001 0.000 0.250 747 A C 0.341 177.971 177.584 0.077 0.000 1.078 747 A CA 0.576 52.688 52.037 0.124 0.000 0.761 747 A CB -0.371 18.708 19.000 0.131 0.000 1.012 747 A HN 0.412 nan 8.150 nan 0.000 0.500 748 A N 2.639 125.497 122.820 0.063 0.000 2.589 748 A HA 0.698 5.019 4.320 0.001 0.000 0.296 748 A C -0.945 176.643 177.584 0.006 0.000 1.062 748 A CA -0.416 51.641 52.037 0.032 0.000 0.686 748 A CB 0.966 19.978 19.000 0.019 0.000 1.282 748 A HN 0.779 nan 8.150 nan 0.000 0.404 749 I N 1.826 122.391 120.570 -0.009 0.000 2.498 749 I HA 0.366 4.537 4.170 0.001 0.000 0.290 749 I C -2.389 173.689 176.117 -0.066 0.000 1.032 749 I CA -2.188 59.096 61.300 -0.026 0.000 1.073 749 I CB 2.658 40.653 38.000 -0.008 0.000 1.251 749 I HN 0.367 nan 8.210 nan 0.000 0.426 750 P HA 0.063 nan 4.420 nan 0.000 0.263 750 P C -0.104 177.143 177.300 -0.088 0.000 1.276 750 P CA 0.035 63.065 63.100 -0.117 0.000 0.986 750 P CB 0.051 31.696 31.700 -0.092 0.000 1.105 751 E N 1.094 121.234 120.200 -0.101 0.000 2.463 751 E HA -0.009 4.342 4.350 0.001 0.000 0.193 751 E C 0.362 176.930 176.600 -0.054 0.000 1.041 751 E CA -0.549 55.822 56.400 -0.049 0.000 0.879 751 E CB -0.253 29.442 29.700 -0.008 0.000 0.997 751 E HN 0.271 nan 8.360 nan 0.000 0.478 752 N N 1.773 120.418 118.700 -0.092 0.000 1.935 752 N HA -0.168 4.573 4.740 0.001 0.000 0.304 752 N C 0.823 176.309 175.510 -0.039 0.000 1.286 752 N CA 1.873 54.876 53.050 -0.079 0.000 0.798 752 N CB 0.269 38.699 38.487 -0.094 0.000 1.028 752 N HN 0.380 nan 8.380 nan 0.000 0.494 753 G N 2.710 111.496 108.800 -0.023 0.000 2.229 753 G HA2 -0.167 3.793 3.960 0.001 0.000 0.189 753 G HA3 -0.167 3.793 3.960 0.001 0.000 0.189 753 G C -0.444 174.458 174.900 0.003 0.000 1.000 753 G CA 0.051 45.147 45.100 -0.008 0.000 0.663 753 G HN 0.878 nan 8.290 nan 0.000 0.493 754 R N 0.695 121.199 120.500 0.008 0.000 2.561 754 R HA 0.727 5.067 4.340 0.001 0.000 0.297 754 R C -0.564 175.748 176.300 0.020 0.000 0.969 754 R CA -0.924 55.184 56.100 0.013 0.000 0.879 754 R CB 1.927 32.235 30.300 0.013 0.000 1.178 754 R HN 0.301 nan 8.270 nan 0.000 0.445 755 E N 1.728 121.938 120.200 0.018 0.000 2.330 755 E HA 0.145 4.496 4.350 0.001 0.000 0.256 755 E C 1.186 177.795 176.600 0.015 0.000 1.146 755 E CA -0.642 55.770 56.400 0.020 0.000 0.945 755 E CB 1.138 30.849 29.700 0.018 0.000 1.182 755 E HN 0.722 nan 8.360 nan 0.000 0.480 756 I N -1.512 119.066 120.570 0.013 0.000 2.657 756 I HA -0.227 3.943 4.170 0.001 0.000 0.261 756 I C 1.540 177.660 176.117 0.005 0.000 1.212 756 I CA 1.172 62.476 61.300 0.007 0.000 1.453 756 I CB -0.186 37.817 38.000 0.005 0.000 1.092 756 I HN 0.420 nan 8.210 nan 0.000 0.452 757 D N 2.565 122.970 120.400 0.007 0.000 2.200 757 D HA -0.217 4.423 4.640 0.001 0.000 0.192 757 D C 0.557 176.859 176.300 0.004 0.000 1.008 757 D CA 2.008 56.011 54.000 0.005 0.000 0.872 757 D CB 0.002 40.806 40.800 0.007 0.000 0.923 757 D HN 0.675 nan 8.370 nan 0.000 0.447 758 S N -0.665 115.039 115.700 0.006 0.000 2.387 758 S HA 0.388 4.858 4.470 0.001 0.000 0.211 758 S C -0.572 174.033 174.600 0.009 0.000 1.055 758 S CA -0.865 57.338 58.200 0.005 0.000 1.133 758 S CB 0.221 63.424 63.200 0.006 0.000 1.235 758 S HN 0.012 nan 8.310 nan 0.000 0.425 759 I N 4.469 125.043 120.570 0.007 0.000 2.243 759 I HA 0.189 4.360 4.170 0.001 0.000 0.297 759 I C 0.712 176.840 176.117 0.017 0.000 1.161 759 I CA -0.076 61.233 61.300 0.015 0.000 1.298 759 I CB -0.300 37.708 38.000 0.013 0.000 1.475 759 I HN 0.686 nan 8.210 nan 0.000 0.561 760 D N 2.671 123.086 120.400 0.025 0.000 2.380 760 D HA 0.005 4.645 4.640 0.001 0.000 0.254 760 D C 1.485 177.814 176.300 0.049 0.000 1.288 760 D CA -0.130 53.887 54.000 0.029 0.000 1.008 760 D CB 0.255 41.074 40.800 0.030 0.000 1.099 760 D HN 0.231 nan 8.370 nan 0.000 0.537 761 S N -0.657 115.080 115.700 0.061 0.000 2.359 761 S HA -0.303 4.168 4.470 0.001 0.000 0.222 761 S C 1.776 176.471 174.600 0.159 0.000 1.038 761 S CA 2.243 60.513 58.200 0.116 0.000 1.051 761 S CB -0.528 62.749 63.200 0.129 0.000 0.944 761 S HN 0.570 nan 8.310 nan 0.000 0.433 762 K N 0.287 120.753 120.400 0.110 0.000 2.052 762 K HA -0.154 4.167 4.320 0.001 0.000 0.215 762 K C 2.273 178.936 176.600 0.105 0.000 1.053 762 K CA 2.023 58.364 56.287 0.091 0.000 0.934 762 K CB -0.510 32.020 32.500 0.051 0.000 0.717 762 K HN 0.449 nan 8.250 nan 0.000 0.450 763 S N 0.592 116.349 115.700 0.095 0.000 2.351 763 S HA -0.231 4.239 4.470 0.001 0.000 0.220 763 S C 1.850 176.547 174.600 0.161 0.000 1.035 763 S CA 1.775 60.037 58.200 0.103 0.000 1.031 763 S CB -0.431 62.813 63.200 0.073 0.000 0.928 763 S HN 0.464 nan 8.310 nan 0.000 0.433 764 E N 0.624 120.930 120.200 0.176 0.000 2.097 764 E HA -0.210 4.140 4.350 0.001 0.000 0.196 764 E C 2.057 178.849 176.600 0.320 0.000 1.000 764 E CA 1.176 57.719 56.400 0.238 0.000 0.804 764 E CB -0.213 29.587 29.700 0.168 0.000 0.740 764 E HN 0.324 nan 8.360 nan 0.000 0.454 765 L N 0.863 122.288 121.223 0.337 0.000 1.994 765 L HA -0.118 4.222 4.340 0.001 0.000 0.208 765 L C 2.280 179.202 176.870 0.087 0.000 1.071 765 L CA 2.472 57.409 54.840 0.162 0.000 0.745 765 L CB -1.193 40.895 42.059 0.047 0.000 0.892 765 L HN 0.167 nan 8.230 nan 0.000 0.431 766 A N -1.236 121.647 122.820 0.104 0.000 1.892 766 A HA -0.349 3.972 4.320 0.001 0.000 0.218 766 A C 2.463 180.138 177.584 0.150 0.000 1.188 766 A CA 2.051 54.145 52.037 0.095 0.000 0.631 766 A CB -1.396 17.659 19.000 0.091 0.000 0.822 766 A HN 0.808 nan 8.150 nan 0.000 0.447 767 H N -1.129 117.984 119.070 0.071 0.000 2.489 767 H HA -0.050 4.506 4.556 0.001 0.000 0.293 767 H C 2.296 177.655 175.328 0.052 0.000 1.066 767 H CA 1.195 57.281 56.048 0.062 0.000 1.305 767 H CB 0.032 29.833 29.762 0.064 0.000 1.386 767 H HN 0.514 nan 8.280 nan 0.000 0.551 768 R N 0.407 120.911 120.500 0.007 0.000 2.127 768 R HA -0.008 4.333 4.340 0.001 0.000 0.217 768 R C 2.210 178.479 176.300 -0.052 0.000 1.074 768 R CA 0.750 56.807 56.100 -0.071 0.000 0.991 768 R CB 0.133 30.436 30.300 0.005 0.000 0.895 768 R HN 0.338 nan 8.270 nan 0.000 0.450 769 I N 0.116 120.675 120.570 -0.018 0.000 2.286 769 I HA -0.220 3.950 4.170 0.001 0.000 0.245 769 I C 2.149 178.275 176.117 0.014 0.000 1.104 769 I CA 1.244 62.536 61.300 -0.013 0.000 1.397 769 I CB -0.081 37.915 38.000 -0.007 0.000 1.072 769 I HN 0.233 nan 8.210 nan 0.000 0.417 770 M N -0.559 119.067 119.600 0.044 0.000 2.388 770 M HA -0.060 4.420 4.480 0.001 0.000 0.265 770 M C 1.728 178.048 176.300 0.034 0.000 1.088 770 M CA 1.263 56.596 55.300 0.055 0.000 1.134 770 M CB 0.328 32.994 32.600 0.109 0.000 1.384 770 M HN 0.230 nan 8.290 nan 0.000 0.447 771 L N -1.712 119.523 121.223 0.020 0.000 2.777 771 L HA 0.168 4.508 4.340 0.001 0.000 0.172 771 L C 2.118 178.940 176.870 -0.080 0.000 1.179 771 L CA 1.143 55.971 54.840 -0.020 0.000 0.859 771 L CB -0.909 41.177 42.059 0.044 0.000 1.269 771 L HN 0.179 nan 8.230 nan 0.000 0.511 772 T N -0.731 113.737 114.554 -0.142 0.000 2.720 772 T HA -0.121 4.229 4.350 0.001 0.000 0.268 772 T C 1.536 176.189 174.700 -0.080 0.000 1.037 772 T CA 1.876 63.906 62.100 -0.116 0.000 1.144 772 T CB -0.625 68.165 68.868 -0.130 0.000 0.864 772 T HN 0.293 nan 8.240 nan 0.000 0.444 773 N N 0.634 119.295 118.700 -0.064 0.000 2.424 773 N HA 0.248 4.989 4.740 0.001 0.000 0.178 773 N C 1.661 177.155 175.510 -0.025 0.000 1.060 773 N CA 0.119 53.144 53.050 -0.041 0.000 0.901 773 N CB -0.372 38.094 38.487 -0.035 0.000 0.979 773 N HN 0.319 nan 8.380 nan 0.000 0.451 774 L N 0.426 121.629 121.223 -0.033 0.000 1.994 774 L HA -0.058 4.282 4.340 0.001 0.000 0.208 774 L C 1.856 178.680 176.870 -0.076 0.000 1.071 774 L CA 1.033 55.850 54.840 -0.038 0.000 0.745 774 L CB -0.167 41.865 42.059 -0.044 0.000 0.892 774 L HN 0.115 nan 8.230 nan 0.000 0.431 775 L N -0.766 120.400 121.223 -0.095 0.000 2.079 775 L HA -0.240 4.101 4.340 0.001 0.000 0.210 775 L C 2.747 179.527 176.870 -0.151 0.000 1.081 775 L CA 1.235 55.991 54.840 -0.140 0.000 0.752 775 L CB -0.433 41.550 42.059 -0.126 0.000 0.896 775 L HN 0.240 nan 8.230 nan 0.000 0.433 776 R N -0.502 119.933 120.500 -0.107 0.000 2.148 776 R HA -0.085 4.256 4.340 0.001 0.000 0.223 776 R C 2.253 178.495 176.300 -0.098 0.000 1.088 776 R CA 0.757 56.795 56.100 -0.102 0.000 0.985 776 R CB -0.143 30.113 30.300 -0.073 0.000 0.880 776 R HN 0.355 nan 8.270 nan 0.000 0.451 777 L N 0.978 122.157 121.223 -0.073 0.000 2.005 777 L HA -0.185 4.155 4.340 0.001 0.000 0.207 777 L C 2.103 178.914 176.870 -0.099 0.000 1.072 777 L CA 1.359 56.161 54.840 -0.062 0.000 0.744 777 L CB -0.211 41.831 42.059 -0.027 0.000 0.895 777 L HN 0.182 nan 8.230 nan 0.000 0.433 778 L N -0.588 120.561 121.223 -0.123 0.000 1.990 778 L HA -0.202 4.138 4.340 0.001 0.000 0.213 778 L C 2.668 179.412 176.870 -0.210 0.000 1.072 778 L CA 1.563 56.307 54.840 -0.160 0.000 0.755 778 L CB -1.634 40.289 42.059 -0.227 0.000 0.889 778 L HN 0.401 nan 8.230 nan 0.000 0.432 779 G N -0.333 108.318 108.800 -0.248 0.000 2.469 779 G HA2 -0.295 3.665 3.960 0.001 0.000 0.219 779 G HA3 -0.295 3.665 3.960 0.001 0.000 0.219 779 G C 1.748 176.527 174.900 -0.202 0.000 1.150 779 G CA 1.081 46.029 45.100 -0.253 0.000 0.763 779 G HN 0.507 nan 8.290 nan 0.000 0.561 780 A N 0.892 123.610 122.820 -0.171 0.000 1.873 780 A HA 0.071 4.391 4.320 0.001 0.000 0.215 780 A C 2.409 179.855 177.584 -0.230 0.000 1.186 780 A CA 1.304 53.236 52.037 -0.174 0.000 0.616 780 A CB -0.356 18.561 19.000 -0.139 0.000 0.823 780 A HN 0.369 nan 8.150 nan 0.000 0.442 781 I N -0.225 120.223 120.570 -0.203 0.000 2.194 781 I HA -0.310 3.861 4.170 0.001 0.000 0.246 781 I C 2.610 178.578 176.117 -0.248 0.000 1.093 781 I CA 1.874 63.036 61.300 -0.230 0.000 1.355 781 I CB -0.520 37.442 38.000 -0.063 0.000 1.046 781 I HN 0.366 nan 8.210 nan 0.000 0.413 782 K N 1.578 121.867 120.400 -0.184 0.000 1.969 782 K HA -0.219 4.102 4.320 0.001 0.000 0.216 782 K C 2.108 178.507 176.600 -0.335 0.000 1.048 782 K CA 2.888 59.056 56.287 -0.197 0.000 0.948 782 K CB -0.749 31.650 32.500 -0.168 0.000 0.726 782 K HN 0.413 nan 8.250 nan 0.000 0.442 783 T N 1.006 115.384 114.554 -0.294 0.000 2.778 783 T HA -0.180 4.170 4.350 0.001 0.000 0.269 783 T C 2.001 176.547 174.700 -0.257 0.000 1.050 783 T CA 1.139 63.076 62.100 -0.271 0.000 1.137 783 T CB -0.232 68.519 68.868 -0.196 0.000 0.860 783 T HN 0.214 nan 8.240 nan 0.000 0.468 784 Q N 1.583 121.193 119.800 -0.317 0.000 2.002 784 Q HA -0.082 4.259 4.340 0.001 0.000 0.204 784 Q C 2.422 178.326 176.000 -0.161 0.000 0.988 784 Q CA 1.769 57.354 55.803 -0.363 0.000 0.843 784 Q CB -0.351 27.856 28.738 -0.885 0.000 0.908 784 Q HN 0.629 nan 8.270 nan 0.000 0.420 785 K N 0.566 120.891 120.400 -0.126 0.000 2.032 785 K HA -0.185 4.135 4.320 0.001 0.000 0.209 785 K C 2.159 178.819 176.600 0.100 0.000 1.048 785 K CA 1.476 57.887 56.287 0.206 0.000 0.927 785 K CB -0.211 32.453 32.500 0.275 0.000 0.712 785 K HN 0.073 nan 8.250 nan 0.000 0.441 786 K N 1.433 121.683 120.400 -0.250 0.000 2.074 786 K HA -0.233 4.088 4.320 0.001 0.000 0.209 786 K C 1.780 178.339 176.600 -0.067 0.000 1.048 786 K CA 1.846 57.960 56.287 -0.288 0.000 0.926 786 K CB 0.077 32.255 32.500 -0.536 0.000 0.713 786 K HN 0.194 nan 8.250 nan 0.000 0.444 787 E N -0.204 119.953 120.200 -0.071 0.000 2.072 787 E HA -0.102 4.248 4.350 0.001 0.000 0.190 787 E C 1.707 178.300 176.600 -0.010 0.000 0.982 787 E CA 0.773 57.151 56.400 -0.036 0.000 0.803 787 E CB 0.115 29.788 29.700 -0.045 0.000 0.755 787 E HN 0.260 nan 8.360 nan 0.000 0.453 788 R N -0.069 120.449 120.500 0.030 0.000 2.319 788 R HA 0.083 4.423 4.340 0.001 0.000 0.204 788 R C 0.955 177.107 176.300 -0.247 0.000 0.954 788 R CA 0.471 56.544 56.100 -0.045 0.000 1.066 788 R CB 0.290 30.684 30.300 0.156 0.000 0.991 788 R HN 0.241 nan 8.270 nan 0.000 0.486 789 G N 0.642 109.397 108.800 -0.075 0.000 2.168 789 G HA2 -0.320 3.640 3.960 0.001 0.000 0.263 789 G HA3 -0.320 3.640 3.960 0.001 0.000 0.263 789 G C -0.273 174.611 174.900 -0.026 0.000 0.977 789 G CA -0.027 45.038 45.100 -0.057 0.000 0.659 789 G HN 0.379 nan 8.290 nan 0.000 0.533 790 Y N 1.448 121.844 120.300 0.160 0.000 2.576 790 Y HA 0.307 4.857 4.550 0.001 0.000 0.348 790 Y C 1.651 177.686 175.900 0.225 0.000 1.212 790 Y CA 0.101 58.311 58.100 0.183 0.000 1.683 790 Y CB 0.264 38.857 38.460 0.222 0.000 1.484 790 Y HN 0.239 nan 8.280 nan 0.000 0.477 791 E N 0.469 120.825 120.200 0.260 0.000 2.132 791 E HA -0.043 4.307 4.350 0.001 0.000 0.193 791 E C 1.493 178.126 176.600 0.055 0.000 0.951 791 E CA 1.165 57.651 56.400 0.143 0.000 0.843 791 E CB -0.033 29.714 29.700 0.079 0.000 0.807 791 E HN 0.532 nan 8.360 nan 0.000 0.467 792 T N -0.371 114.233 114.554 0.084 0.000 3.366 792 T HA 0.244 4.594 4.350 0.001 0.000 0.249 792 T C 0.704 175.449 174.700 0.075 0.000 1.028 792 T CA -0.177 61.956 62.100 0.056 0.000 0.938 792 T CB -0.040 68.861 68.868 0.055 0.000 1.046 792 T HN -0.174 nan 8.240 nan 0.000 0.587 793 R N 1.711 122.272 120.500 0.102 0.000 2.855 793 R HA 0.312 4.653 4.340 0.001 0.000 0.261 793 R C -3.292 173.070 176.300 0.103 0.000 1.826 793 R CA -1.485 54.671 56.100 0.093 0.000 1.435 793 R CB 1.236 31.599 30.300 0.106 0.000 1.383 793 R HN 0.220 nan 8.270 nan 0.000 0.583 794 P HA 0.134 nan 4.420 nan 0.000 0.272 794 P C -1.047 176.302 177.300 0.082 0.000 1.230 794 P CA -0.191 62.975 63.100 0.110 0.000 0.788 794 P CB 0.954 32.721 31.700 0.111 0.000 0.949 795 A N 1.751 124.642 122.820 0.118 0.000 2.288 795 A HA 0.332 4.653 4.320 0.001 0.000 0.320 795 A C -0.250 177.366 177.584 0.054 0.000 1.217 795 A CA -0.562 51.515 52.037 0.066 0.000 0.840 795 A CB 0.321 19.392 19.000 0.118 0.000 1.179 795 A HN 0.542 nan 8.150 nan 0.000 0.504 796 Q N 2.150 121.912 119.800 -0.063 0.000 2.279 796 Q HA 0.486 4.826 4.340 0.001 0.000 0.256 796 Q C -1.338 174.684 176.000 0.037 0.000 0.937 796 Q CA -0.249 55.530 55.803 -0.040 0.000 0.933 796 Q CB 0.945 29.578 28.738 -0.175 0.000 1.189 796 Q HN 0.520 nan 8.270 nan 0.000 0.417 797 V N 6.321 126.278 119.914 0.071 0.000 2.313 797 V HA 0.207 4.327 4.120 0.001 0.000 0.278 797 V C 0.130 176.252 176.094 0.047 0.000 1.017 797 V CA -0.694 61.649 62.300 0.072 0.000 0.823 797 V CB 1.101 32.965 31.823 0.069 0.000 1.010 797 V HN 0.736 nan 8.190 nan 0.000 0.443 798 I N 5.373 125.993 120.570 0.084 0.000 2.382 798 I HA 0.085 4.255 4.170 0.001 0.000 0.297 798 I C 0.493 176.608 176.117 -0.004 0.000 1.172 798 I CA 0.031 61.377 61.300 0.076 0.000 1.825 798 I CB -0.365 37.747 38.000 0.187 0.000 1.509 798 I HN 0.398 nan 8.210 nan 0.000 0.842 799 L N 7.023 128.182 121.223 -0.106 0.000 2.654 799 L HA 0.048 4.388 4.340 0.001 0.000 0.271 799 L C -1.841 174.861 176.870 -0.279 0.000 1.169 799 L CA -0.670 54.043 54.840 -0.212 0.000 0.947 799 L CB 0.005 41.889 42.059 -0.293 0.000 1.232 799 L HN 0.173 nan 8.230 nan 0.000 0.486 800 P HA 0.215 nan 4.420 nan 0.000 0.260 800 P C -0.240 176.865 177.300 -0.325 0.000 1.651 800 P CA -0.127 62.702 63.100 -0.453 0.000 1.139 800 P CB 0.233 31.433 31.700 -0.833 0.000 1.756 801 L N 0.354 121.402 121.223 -0.292 0.000 2.488 801 L HA 0.625 4.966 4.340 0.001 0.000 0.249 801 L C 0.907 177.659 176.870 -0.197 0.000 1.151 801 L CA -0.546 54.146 54.840 -0.247 0.000 0.806 801 L CB 0.278 42.168 42.059 -0.282 0.000 1.261 801 L HN 0.162 nan 8.230 nan 0.000 0.484 802 S N -1.629 113.969 115.700 -0.170 0.000 2.570 802 S HA 0.530 5.000 4.470 0.001 0.000 0.286 802 S C -2.251 172.189 174.600 -0.266 0.000 1.099 802 S CA -1.255 56.830 58.200 -0.192 0.000 0.913 802 S CB 1.867 64.928 63.200 -0.232 0.000 1.085 802 S HN 0.324 nan 8.310 nan 0.000 0.480 803 P HA 0.177 nan 4.420 nan 0.000 0.227 803 P C -0.481 176.620 177.300 -0.331 0.000 1.161 803 P CA 0.517 63.512 63.100 -0.176 0.000 0.788 803 P CB 0.068 31.755 31.700 -0.021 0.000 0.822 804 N N 0.583 119.085 118.700 -0.329 0.000 2.936 804 N HA 0.083 4.823 4.740 0.001 0.000 0.243 804 N C -0.486 174.908 175.510 -0.194 0.000 1.149 804 N CA -0.209 52.752 53.050 -0.148 0.000 0.914 804 N CB -0.084 38.499 38.487 0.160 0.000 1.179 804 N HN 0.239 nan 8.380 nan 0.000 0.502 805 H N 0.624 119.715 119.070 0.035 0.000 2.970 805 H HA 0.192 4.748 4.556 0.001 0.000 0.226 805 H C 1.244 176.587 175.328 0.024 0.000 1.909 805 H CA 0.014 56.059 56.048 -0.006 0.000 1.388 805 H CB -0.293 29.467 29.762 -0.004 0.000 1.773 805 H HN 0.743 nan 8.280 nan 0.000 0.559 806 G N 2.062 110.930 108.800 0.115 0.000 2.132 806 G HA2 -0.376 3.584 3.960 0.001 0.000 0.228 806 G HA3 -0.376 3.584 3.960 0.001 0.000 0.228 806 G C 1.333 176.291 174.900 0.096 0.000 1.000 806 G CA 0.671 45.835 45.100 0.107 0.000 0.693 806 G HN 0.599 nan 8.290 nan 0.000 0.515 807 T N -2.663 111.958 114.554 0.111 0.000 2.942 807 T HA 0.376 4.726 4.350 0.001 0.000 0.265 807 T C 1.090 175.744 174.700 -0.076 0.000 1.062 807 T CA 0.743 62.852 62.100 0.016 0.000 1.139 807 T CB 0.051 68.921 68.868 0.003 0.000 0.883 807 T HN 0.283 nan 8.240 nan 0.000 0.468 808 F N 1.679 121.630 119.950 0.002 0.000 2.378 808 F HA 0.651 5.178 4.527 0.001 0.000 0.325 808 F C 1.324 177.128 175.800 0.006 0.000 1.097 808 F CA -0.752 57.246 58.000 -0.003 0.000 1.079 808 F CB 0.855 39.844 39.000 -0.017 0.000 1.240 808 F HN 0.201 nan 8.300 nan 0.000 0.519 809 G N 0.414 109.324 108.800 0.183 0.000 2.451 809 G HA2 0.353 4.313 3.960 0.001 0.000 0.303 809 G HA3 0.353 4.313 3.960 0.001 0.000 0.303 809 G C -0.283 174.679 174.900 0.103 0.000 1.166 809 G CA -0.595 44.570 45.100 0.108 0.000 0.884 809 G HN 0.745 nan 8.290 nan 0.000 0.514 810 N N -0.508 118.233 118.700 0.068 0.000 2.878 810 N HA -0.164 4.576 4.740 0.001 0.000 0.247 810 N C 0.749 176.288 175.510 0.047 0.000 1.021 810 N CA 1.281 54.359 53.050 0.046 0.000 0.873 810 N CB -0.855 37.650 38.487 0.031 0.000 1.128 810 N HN 0.606 nan 8.380 nan 0.000 0.571 811 D N 0.502 120.953 120.400 0.084 0.000 2.149 811 D HA 0.005 4.646 4.640 0.001 0.000 0.194 811 D C 1.468 177.828 176.300 0.099 0.000 1.001 811 D CA 1.962 56.038 54.000 0.126 0.000 0.849 811 D CB -0.649 40.265 40.800 0.190 0.000 0.939 811 D HN 0.636 nan 8.370 nan 0.000 0.449 812 G N 1.109 109.947 108.800 0.064 0.000 2.342 812 G HA2 -0.238 3.722 3.960 0.001 0.000 0.267 812 G HA3 -0.238 3.722 3.960 0.001 0.000 0.267 812 G C 0.558 175.486 174.900 0.047 0.000 0.922 812 G CA 0.185 45.310 45.100 0.042 0.000 1.342 812 G HN 0.368 nan 8.290 nan 0.000 0.430 813 L N -1.441 119.789 121.223 0.012 0.000 4.884 813 L HA -0.285 4.055 4.340 0.001 0.000 0.430 813 L C 1.807 178.663 176.870 -0.024 0.000 1.087 813 L CA 2.537 57.342 54.840 -0.059 0.000 1.033 813 L CB -2.000 40.034 42.059 -0.041 0.000 2.030 813 L HN 0.885 nan 8.230 nan 0.000 0.762 814 Y N 1.498 121.753 120.300 -0.075 0.000 2.117 814 Y HA -0.181 4.369 4.550 0.001 0.000 0.277 814 Y C 2.461 178.325 175.900 -0.061 0.000 1.104 814 Y CA 2.365 60.428 58.100 -0.063 0.000 1.089 814 Y CB -0.722 37.703 38.460 -0.058 0.000 0.999 814 Y HN 0.325 nan 8.280 nan 0.000 0.480 815 S N 0.504 116.011 115.700 -0.321 0.000 2.381 815 S HA -0.322 4.149 4.470 0.001 0.000 0.230 815 S C 1.695 176.163 174.600 -0.220 0.000 1.052 815 S CA 1.816 59.810 58.200 -0.344 0.000 1.068 815 S CB -0.856 62.290 63.200 -0.089 0.000 0.918 815 S HN 0.544 nan 8.310 nan 0.000 0.448 816 E N 1.813 121.909 120.200 -0.173 0.000 2.130 816 E HA -0.091 4.259 4.350 0.001 0.000 0.196 816 E C 2.406 178.894 176.600 -0.187 0.000 0.998 816 E CA 1.518 57.811 56.400 -0.179 0.000 0.806 816 E CB -0.533 29.019 29.700 -0.246 0.000 0.738 816 E HN 0.689 nan 8.360 nan 0.000 0.459 817 S N 0.457 116.029 115.700 -0.214 0.000 2.345 817 S HA -0.075 4.396 4.470 0.001 0.000 0.219 817 S C 1.714 176.265 174.600 -0.082 0.000 1.031 817 S CA 0.797 58.976 58.200 -0.036 0.000 0.984 817 S CB -0.122 63.134 63.200 0.092 0.000 0.874 817 S HN 0.074 nan 8.310 nan 0.000 0.451 818 K N 1.212 121.486 120.400 -0.209 0.000 2.147 818 K HA 0.080 4.401 4.320 0.001 0.000 0.205 818 K C 2.094 178.630 176.600 -0.106 0.000 1.049 818 K CA 0.644 56.801 56.287 -0.215 0.000 0.936 818 K CB -0.785 31.470 32.500 -0.408 0.000 0.722 818 K HN 0.301 nan 8.250 nan 0.000 0.446 819 L N 0.892 122.080 121.223 -0.058 0.000 2.072 819 L HA -0.030 4.310 4.340 0.001 0.000 0.205 819 L C 2.173 179.001 176.870 -0.069 0.000 1.079 819 L CA 1.778 56.580 54.840 -0.065 0.000 0.752 819 L CB -0.673 41.313 42.059 -0.122 0.000 0.906 819 L HN 0.113 nan 8.230 nan 0.000 0.436 820 A N -0.314 122.479 122.820 -0.045 0.000 1.940 820 A HA -0.208 4.113 4.320 0.001 0.000 0.219 820 A C 2.280 179.845 177.584 -0.031 0.000 1.176 820 A CA 1.981 54.012 52.037 -0.010 0.000 0.631 820 A CB -1.026 17.997 19.000 0.039 0.000 0.814 820 A HN 0.524 nan 8.150 nan 0.000 0.446 821 L N -0.481 120.699 121.223 -0.072 0.000 2.081 821 L HA -0.257 4.084 4.340 0.001 0.000 0.212 821 L C 2.361 179.121 176.870 -0.184 0.000 1.080 821 L CA 1.787 56.550 54.840 -0.128 0.000 0.754 821 L CB -0.599 41.355 42.059 -0.176 0.000 0.893 821 L HN 0.524 nan 8.230 nan 0.000 0.433 822 E N -0.771 119.328 120.200 -0.168 0.000 2.472 822 E HA -0.154 4.196 4.350 0.001 0.000 0.200 822 E C 1.911 178.522 176.600 0.019 0.000 1.046 822 E CA 1.306 57.590 56.400 -0.193 0.000 0.871 822 E CB -0.075 29.631 29.700 0.011 0.000 0.806 822 E HN 0.633 nan 8.360 nan 0.000 0.533 823 T N -0.798 113.783 114.554 0.046 0.000 3.007 823 T HA -0.073 4.277 4.350 0.001 0.000 0.270 823 T C 1.914 176.719 174.700 0.175 0.000 1.107 823 T CA 0.388 62.569 62.100 0.135 0.000 1.118 823 T CB -0.200 68.731 68.868 0.105 0.000 0.889 823 T HN 0.093 nan 8.240 nan 0.000 0.506 824 L N -0.518 120.757 121.223 0.087 0.000 2.083 824 L HA 0.046 4.386 4.340 0.001 0.000 0.209 824 L C 2.484 179.517 176.870 0.272 0.000 1.083 824 L CA 1.431 56.385 54.840 0.190 0.000 0.752 824 L CB -0.696 41.391 42.059 0.047 0.000 0.899 824 L HN 0.218 nan 8.230 nan 0.000 0.433 825 F N 0.354 120.414 119.950 0.184 0.000 2.111 825 F HA -0.353 4.174 4.527 0.001 0.000 0.300 825 F C 2.181 178.091 175.800 0.182 0.000 1.088 825 F CA 1.628 59.740 58.000 0.188 0.000 1.243 825 F CB -0.262 38.934 39.000 0.327 0.000 0.996 825 F HN 0.257 nan 8.300 nan 0.000 0.483 826 N N -0.582 118.385 118.700 0.444 0.000 2.336 826 N HA -0.007 4.734 4.740 0.001 0.000 0.177 826 N C 1.531 177.211 175.510 0.283 0.000 1.018 826 N CA 0.416 53.697 53.050 0.386 0.000 0.878 826 N CB -0.195 38.492 38.487 0.333 0.000 0.997 826 N HN 0.035 nan 8.380 nan 0.000 0.433 827 R N -0.562 120.103 120.500 0.276 0.000 2.139 827 R HA -0.168 4.173 4.340 0.001 0.000 0.243 827 R C 1.592 177.837 176.300 -0.092 0.000 1.145 827 R CA 1.211 57.469 56.100 0.264 0.000 0.976 827 R CB -0.351 30.286 30.300 0.561 0.000 0.866 827 R HN 0.401 nan 8.270 nan 0.000 0.449 828 W N 0.382 121.405 121.300 -0.461 0.000 2.331 828 W HA -0.259 4.401 4.660 0.001 0.000 0.291 828 W C 1.274 177.376 176.519 -0.695 0.000 1.214 828 W CA 1.592 58.342 57.345 -0.992 0.000 1.228 828 W CB -0.182 28.841 29.460 -0.729 0.000 1.135 828 W HN 0.125 nan 8.180 nan 0.000 0.537 829 Y N -0.702 119.633 120.300 0.058 0.000 2.301 829 Y HA -0.162 4.389 4.550 0.001 0.000 0.295 829 Y C 2.903 178.742 175.900 -0.102 0.000 1.119 829 Y CA 1.180 59.303 58.100 0.037 0.000 1.162 829 Y CB -0.740 37.804 38.460 0.140 0.000 1.046 829 Y HN -0.086 nan 8.280 nan 0.000 0.538 830 S N -0.399 115.353 115.700 0.086 0.000 2.362 830 S HA -0.031 4.440 4.470 0.001 0.000 0.221 830 S C 0.651 175.239 174.600 -0.020 0.000 1.032 830 S CA 0.183 58.412 58.200 0.049 0.000 0.973 830 S CB -0.364 62.895 63.200 0.098 0.000 0.849 830 S HN 0.299 nan 8.310 nan 0.000 0.465 831 E N 1.374 121.532 120.200 -0.071 0.000 2.359 831 E HA 0.368 4.718 4.350 0.001 0.000 0.255 831 E C 0.305 176.781 176.600 -0.207 0.000 1.191 831 E CA 0.143 56.530 56.400 -0.021 0.000 0.952 831 E CB 0.667 30.550 29.700 0.305 0.000 1.152 831 E HN 0.442 nan 8.360 nan 0.000 0.496 832 S N 0.648 116.347 115.700 -0.001 0.000 2.618 832 S HA 0.060 4.530 4.470 0.001 0.000 0.242 832 S C 0.193 174.850 174.600 0.095 0.000 0.972 832 S CA -0.753 57.438 58.200 -0.014 0.000 1.004 832 S CB -0.179 63.063 63.200 0.070 0.000 0.778 832 S HN 0.654 nan 8.310 nan 0.000 0.459 833 W N -0.141 121.120 121.300 -0.065 0.000 3.123 833 W HA 0.516 5.176 4.660 0.001 0.000 0.383 833 W C 0.960 177.356 176.519 -0.206 0.000 1.102 833 W CA -0.527 56.839 57.345 0.035 0.000 1.865 833 W CB -1.165 28.306 29.460 0.019 0.000 1.111 833 W HN 0.293 nan 8.180 nan 0.000 0.621 834 G N 3.178 111.505 108.800 -0.788 0.000 2.574 834 G HA2 -0.411 3.549 3.960 0.001 0.000 0.220 834 G HA3 -0.411 3.549 3.960 0.001 0.000 0.220 834 G C 1.481 175.968 174.900 -0.688 0.000 1.173 834 G CA 1.714 45.993 45.100 -1.368 0.000 0.772 834 G HN 0.159 nan 8.290 nan 0.000 0.585 835 N N -0.124 118.285 118.700 -0.484 0.000 2.188 835 N HA -0.043 4.698 4.740 0.001 0.000 0.184 835 N C 1.910 177.231 175.510 -0.314 0.000 1.018 835 N CA 1.185 53.962 53.050 -0.455 0.000 0.858 835 N CB -0.339 37.689 38.487 -0.764 0.000 0.989 835 N HN 0.554 nan 8.380 nan 0.000 0.426 836 Y N -0.306 120.040 120.300 0.076 0.000 2.347 836 Y HA 0.236 4.786 4.550 0.001 0.000 0.294 836 Y C 0.412 176.420 175.900 0.179 0.000 1.117 836 Y CA -0.082 58.095 58.100 0.129 0.000 1.184 836 Y CB 0.168 38.700 38.460 0.120 0.000 1.047 836 Y HN -0.108 nan 8.280 nan 0.000 0.546 837 L N 0.489 121.967 121.223 0.424 0.000 2.346 837 L HA 0.460 4.801 4.340 0.001 0.000 0.274 837 L C 0.053 177.271 176.870 0.579 0.000 1.007 837 L CA -0.885 54.224 54.840 0.450 0.000 0.818 837 L CB 1.621 43.998 42.059 0.530 0.000 1.284 837 L HN 0.086 nan 8.230 nan 0.000 0.424 838 T N 0.835 115.671 114.554 0.471 0.000 2.885 838 T HA 0.780 5.130 4.350 0.001 0.000 0.285 838 T C -0.238 174.612 174.700 0.251 0.000 1.019 838 T CA -0.623 61.761 62.100 0.473 0.000 1.010 838 T CB 1.263 70.266 68.868 0.225 0.000 1.022 838 T HN 0.307 nan 8.240 nan 0.000 0.466 839 I N 1.935 122.551 120.570 0.078 0.000 2.354 839 I HA 0.404 4.574 4.170 0.001 0.000 0.292 839 I C -0.074 176.035 176.117 -0.014 0.000 0.989 839 I CA -0.893 60.443 61.300 0.060 0.000 1.188 839 I CB 1.604 39.664 38.000 0.100 0.000 1.342 839 I HN 0.833 nan 8.210 nan 0.000 0.457 840 C N 6.293 125.583 119.300 -0.017 0.000 2.621 840 C HA 0.559 5.019 4.460 0.001 0.000 0.272 840 C C 0.886 175.822 174.990 -0.090 0.000 1.119 840 C CA -0.553 58.448 59.018 -0.028 0.000 1.593 840 C CB -0.951 26.776 27.740 -0.021 0.000 1.749 840 C HN 0.955 nan 8.230 nan 0.000 0.420 841 G N 3.722 112.469 108.800 -0.089 0.000 2.248 841 G HA2 0.456 4.416 3.960 0.001 0.000 0.260 841 G HA3 0.456 4.416 3.960 0.001 0.000 0.260 841 G C 0.237 174.944 174.900 -0.322 0.000 1.214 841 G CA 0.415 45.342 45.100 -0.289 0.000 0.979 841 G HN 1.492 nan 8.290 nan 0.000 0.454 842 A N 3.320 125.963 122.820 -0.296 0.000 2.536 842 A HA 0.473 4.793 4.320 0.001 0.000 0.329 842 A C 0.074 177.511 177.584 -0.244 0.000 1.321 842 A CA -0.589 51.305 52.037 -0.239 0.000 0.804 842 A CB 1.243 20.168 19.000 -0.126 0.000 1.126 842 A HN 1.506 nan 8.150 nan 0.000 0.480 843 V N 5.808 125.555 119.914 -0.279 0.000 2.359 843 V HA 0.233 4.354 4.120 0.001 0.000 0.248 843 V C 0.159 176.177 176.094 -0.127 0.000 1.091 843 V CA 0.018 62.200 62.300 -0.197 0.000 1.103 843 V CB -1.172 30.566 31.823 -0.142 0.000 1.176 843 V HN 0.565 nan 8.190 nan 0.000 0.488 844 I N 6.722 127.221 120.570 -0.117 0.000 2.648 844 I HA 0.346 4.516 4.170 0.001 0.000 0.284 844 I C 1.287 177.363 176.117 -0.069 0.000 1.153 844 I CA 1.039 62.285 61.300 -0.091 0.000 1.426 844 I CB 0.444 38.422 38.000 -0.038 0.000 1.381 844 I HN 0.650 nan 8.210 nan 0.000 0.571 845 G N 4.951 113.694 108.800 -0.096 0.000 2.613 845 G HA2 0.181 4.141 3.960 0.001 0.000 0.303 845 G HA3 0.181 4.141 3.960 0.001 0.000 0.303 845 G C -1.201 173.789 174.900 0.150 0.000 1.312 845 G CA -0.561 44.557 45.100 0.030 0.000 1.036 845 G HN 0.642 nan 8.290 nan 0.000 0.513 846 W N 1.695 123.045 121.300 0.082 0.000 2.611 846 W HA 0.218 4.878 4.660 0.001 0.000 0.346 846 W C -0.639 175.982 176.519 0.170 0.000 1.365 846 W CA 0.130 57.541 57.345 0.110 0.000 1.313 846 W CB -0.618 28.932 29.460 0.149 0.000 1.351 846 W HN 0.171 nan 8.180 nan 0.000 0.576 847 T N 8.159 123.025 114.554 0.520 0.000 3.064 847 T HA 0.245 4.595 4.350 0.001 0.000 0.367 847 T C 0.138 175.045 174.700 0.345 0.000 1.202 847 T CA -0.780 61.556 62.100 0.394 0.000 1.133 847 T CB 0.275 69.271 68.868 0.214 0.000 1.074 847 T HN 0.325 nan 8.240 nan 0.000 0.519 848 R N 1.300 122.039 120.500 0.397 0.000 2.583 848 R HA 0.435 4.775 4.340 0.001 0.000 0.274 848 R C 0.358 176.767 176.300 0.182 0.000 0.998 848 R CA -0.531 55.734 56.100 0.276 0.000 1.081 848 R CB 0.116 30.563 30.300 0.245 0.000 0.940 848 R HN 0.536 nan 8.270 nan 0.000 0.413 849 G N 1.784 110.656 108.800 0.120 0.000 2.557 849 G HA2 0.297 4.257 3.960 0.001 0.000 0.310 849 G HA3 0.297 4.257 3.960 0.001 0.000 0.310 849 G C -0.220 174.729 174.900 0.081 0.000 1.328 849 G CA -0.809 44.345 45.100 0.089 0.000 0.945 849 G HN 0.695 nan 8.290 nan 0.000 0.494 850 T N 0.028 114.634 114.554 0.088 0.000 2.871 850 T HA 0.374 4.724 4.350 0.001 0.000 0.296 850 T C 1.708 176.441 174.700 0.055 0.000 0.998 850 T CA 0.826 62.978 62.100 0.086 0.000 1.162 850 T CB 1.012 69.922 68.868 0.070 0.000 0.947 850 T HN 2.137 nan 8.240 nan 0.000 0.536 851 G N 2.843 111.679 108.800 0.060 0.000 2.238 851 G HA2 -0.303 3.657 3.960 0.001 0.000 0.270 851 G HA3 -0.303 3.657 3.960 0.001 0.000 0.270 851 G C 0.470 175.380 174.900 0.016 0.000 0.977 851 G CA 0.832 45.954 45.100 0.036 0.000 0.639 851 G HN 0.765 nan 8.290 nan 0.000 0.544 852 L N -0.761 120.470 121.223 0.014 0.000 2.226 852 L HA 0.423 4.763 4.340 0.001 0.000 0.218 852 L C 1.644 178.506 176.870 -0.014 0.000 1.162 852 L CA 0.464 55.301 54.840 -0.006 0.000 2.417 852 L CB -0.209 41.847 42.059 -0.006 0.000 2.139 852 L HN 0.133 nan 8.230 nan 0.000 1.037 853 M N 0.085 119.669 119.600 -0.026 0.000 2.205 853 M HA 0.163 4.644 4.480 0.001 0.000 0.344 853 M C 0.767 177.034 176.300 -0.054 0.000 1.085 853 M CA -0.075 55.200 55.300 -0.041 0.000 1.001 853 M CB 1.301 33.865 32.600 -0.061 0.000 1.626 853 M HN 0.399 nan 8.290 nan 0.000 0.442 854 S N 1.085 116.750 115.700 -0.057 0.000 2.528 854 S HA 0.080 4.550 4.470 0.001 0.000 0.219 854 S C 1.649 176.190 174.600 -0.099 0.000 0.985 854 S CA 0.383 58.522 58.200 -0.101 0.000 0.914 854 S CB -0.271 62.894 63.200 -0.058 0.000 0.776 854 S HN 0.747 nan 8.310 nan 0.000 0.526 855 A N 3.793 126.576 122.820 -0.062 0.000 1.940 855 A HA -0.131 4.189 4.320 0.001 0.000 0.219 855 A C 1.894 179.462 177.584 -0.027 0.000 1.176 855 A CA 1.553 53.565 52.037 -0.042 0.000 0.631 855 A CB -0.614 18.357 19.000 -0.047 0.000 0.814 855 A HN 0.656 nan 8.150 nan 0.000 0.446 856 N N -0.178 118.497 118.700 -0.042 0.000 2.398 856 N HA -0.013 4.727 4.740 0.001 0.000 0.188 856 N C 0.263 175.898 175.510 0.208 0.000 1.122 856 N CA 0.585 53.647 53.050 0.019 0.000 0.866 856 N CB -0.141 38.278 38.487 -0.113 0.000 0.970 856 N HN 0.447 nan 8.380 nan 0.000 0.462 857 N N 0.238 118.917 118.700 -0.035 0.000 2.397 857 N HA 0.230 4.970 4.740 0.001 0.000 0.190 857 N C 1.632 176.939 175.510 -0.337 0.000 1.099 857 N CA -0.048 52.814 53.050 -0.313 0.000 0.876 857 N CB 0.305 38.297 38.487 -0.826 0.000 1.143 857 N HN 0.096 nan 8.380 nan 0.000 0.468 858 L N 0.007 121.139 121.223 -0.152 0.000 2.141 858 L HA 0.020 4.361 4.340 0.001 0.000 0.209 858 L C 1.383 178.287 176.870 0.057 0.000 1.094 858 L CA 0.916 55.739 54.840 -0.030 0.000 0.763 858 L CB -0.030 42.033 42.059 0.006 0.000 0.908 858 L HN -0.016 nan 8.230 nan 0.000 0.437 859 V N -0.733 119.245 119.914 0.107 0.000 3.590 859 V HA 0.090 4.210 4.120 0.001 0.000 0.265 859 V C 2.419 178.598 176.094 0.141 0.000 1.239 859 V CA 0.836 63.231 62.300 0.157 0.000 1.117 859 V CB 0.315 32.270 31.823 0.220 0.000 0.818 859 V HN 0.346 nan 8.190 nan 0.000 0.451 860 A N 0.308 123.199 122.820 0.118 0.000 1.927 860 A HA -0.320 4.000 4.320 0.001 0.000 0.220 860 A C 2.208 179.678 177.584 -0.189 0.000 1.185 860 A CA 2.446 54.391 52.037 -0.154 0.000 0.639 860 A CB -0.382 18.571 19.000 -0.078 0.000 0.820 860 A HN 0.610 nan 8.150 nan 0.000 0.451 861 E N -0.912 119.273 120.200 -0.026 0.000 2.031 861 E HA -0.115 4.235 4.350 0.001 0.000 0.193 861 E C 2.185 178.763 176.600 -0.037 0.000 0.994 861 E CA 0.984 57.372 56.400 -0.021 0.000 0.800 861 E CB -0.460 29.267 29.700 0.045 0.000 0.752 861 E HN 0.518 nan 8.360 nan 0.000 0.447 862 G N 0.440 109.241 108.800 0.002 0.000 2.442 862 G HA2 -0.239 3.721 3.960 0.001 0.000 0.219 862 G HA3 -0.239 3.721 3.960 0.001 0.000 0.219 862 G C 1.604 176.507 174.900 0.005 0.000 1.141 862 G CA 1.110 46.221 45.100 0.017 0.000 0.763 862 G HN 0.249 nan 8.290 nan 0.000 0.554 863 V N 0.391 120.289 119.914 -0.027 0.000 2.548 863 V HA -0.086 4.035 4.120 0.001 0.000 0.249 863 V C 2.498 178.543 176.094 -0.082 0.000 1.055 863 V CA 1.664 63.944 62.300 -0.033 0.000 1.065 863 V CB -0.349 31.428 31.823 -0.076 0.000 0.681 863 V HN 0.415 nan 8.190 nan 0.000 0.462 864 E N 0.270 120.380 120.200 -0.150 0.000 2.204 864 E HA -0.186 4.165 4.350 0.001 0.000 0.194 864 E C 2.154 178.720 176.600 -0.057 0.000 0.989 864 E CA 0.729 57.047 56.400 -0.137 0.000 0.824 864 E CB -0.090 29.506 29.700 -0.173 0.000 0.756 864 E HN 0.566 nan 8.360 nan 0.000 0.477 865 K N 0.466 120.846 120.400 -0.032 0.000 2.360 865 K HA -0.059 4.261 4.320 0.001 0.000 0.201 865 K C 1.605 178.216 176.600 0.019 0.000 1.046 865 K CA 0.542 56.827 56.287 -0.004 0.000 0.945 865 K CB 0.049 32.552 32.500 0.004 0.000 0.750 865 K HN 0.182 nan 8.250 nan 0.000 0.464 866 L N 0.326 121.567 121.223 0.030 0.000 2.645 866 L HA 0.077 4.418 4.340 0.001 0.000 0.235 866 L C 0.713 177.629 176.870 0.077 0.000 1.150 866 L CA 0.261 55.136 54.840 0.057 0.000 0.911 866 L CB -0.491 41.614 42.059 0.077 0.000 1.077 866 L HN 0.356 nan 8.230 nan 0.000 0.438 867 G N 0.620 109.460 108.800 0.066 0.000 2.203 867 G HA2 -0.198 3.763 3.960 0.001 0.000 0.231 867 G HA3 -0.198 3.763 3.960 0.001 0.000 0.231 867 G C -0.408 174.605 174.900 0.187 0.000 1.058 867 G CA 0.244 45.408 45.100 0.105 0.000 0.781 867 G HN 0.209 nan 8.290 nan 0.000 0.496 868 V N -0.600 119.369 119.914 0.093 0.000 3.114 868 V HA 0.891 5.011 4.120 0.001 0.000 0.308 868 V C -0.675 175.284 176.094 -0.225 0.000 1.168 868 V CA -1.363 60.974 62.300 0.062 0.000 1.015 868 V CB 2.055 33.971 31.823 0.155 0.000 1.050 868 V HN 0.320 nan 8.190 nan 0.000 0.433 869 R N 2.165 122.379 120.500 -0.477 0.000 2.460 869 R HA 0.615 4.956 4.340 0.001 0.000 0.303 869 R C -0.484 175.556 176.300 -0.433 0.000 0.968 869 R CA -0.223 55.517 56.100 -0.601 0.000 0.889 869 R CB 1.748 31.444 30.300 -1.007 0.000 1.123 869 R HN 0.984 nan 8.270 nan 0.000 0.455 870 T N -0.469 113.810 114.554 -0.458 0.000 2.918 870 T HA 0.695 5.045 4.350 0.001 0.000 0.286 870 T C -0.363 174.169 174.700 -0.280 0.000 1.026 870 T CA -0.527 61.404 62.100 -0.282 0.000 1.031 870 T CB 0.956 69.467 68.868 -0.595 0.000 1.046 870 T HN 0.213 nan 8.240 nan 0.000 0.479 871 F N 1.296 121.246 119.950 -0.000 0.000 2.522 871 F HA 0.628 5.156 4.527 0.001 0.000 0.324 871 F C 1.073 176.910 175.800 0.062 0.000 1.077 871 F CA -1.064 56.964 58.000 0.046 0.000 0.944 871 F CB 1.898 40.967 39.000 0.116 0.000 1.175 871 F HN 0.879 nan 8.300 nan 0.000 0.468 872 S N 1.399 117.217 115.700 0.198 0.000 2.614 872 S HA 0.173 4.644 4.470 0.001 0.000 0.265 872 S C 0.809 175.527 174.600 0.197 0.000 1.303 872 S CA -0.576 57.721 58.200 0.162 0.000 1.000 872 S CB 1.032 64.285 63.200 0.089 0.000 0.935 872 S HN 0.737 nan 8.310 nan 0.000 0.551 873 Q N 1.034 120.928 119.800 0.156 0.000 2.002 873 Q HA -0.240 4.100 4.340 0.001 0.000 0.204 873 Q C 2.444 178.532 176.000 0.148 0.000 0.988 873 Q CA 2.148 58.032 55.803 0.135 0.000 0.843 873 Q CB -0.513 28.280 28.738 0.092 0.000 0.908 873 Q HN 0.937 nan 8.270 nan 0.000 0.420 874 Q N 0.859 120.745 119.800 0.143 0.000 2.173 874 Q HA -0.228 4.112 4.340 0.001 0.000 0.208 874 Q C 1.703 177.882 176.000 0.299 0.000 0.989 874 Q CA 1.575 57.481 55.803 0.173 0.000 0.872 874 Q CB -0.390 28.440 28.738 0.153 0.000 0.909 874 Q HN 0.490 nan 8.270 nan 0.000 0.420 875 E N 0.853 121.235 120.200 0.303 0.000 2.007 875 E HA -0.182 4.168 4.350 0.001 0.000 0.194 875 E C 1.967 178.846 176.600 0.464 0.000 0.999 875 E CA 1.444 58.062 56.400 0.363 0.000 0.811 875 E CB -0.193 29.559 29.700 0.086 0.000 0.762 875 E HN 0.244 nan 8.360 nan 0.000 0.450 876 M N 0.998 120.802 119.600 0.341 0.000 2.346 876 M HA -0.114 4.367 4.480 0.001 0.000 0.263 876 M C 1.802 178.210 176.300 0.179 0.000 1.064 876 M CA 1.326 56.742 55.300 0.195 0.000 1.083 876 M CB -0.082 32.558 32.600 0.067 0.000 1.399 876 M HN 0.108 nan 8.290 nan 0.000 0.435 877 A N -0.514 122.429 122.820 0.205 0.000 1.874 877 A HA -0.063 4.258 4.320 0.001 0.000 0.214 877 A C 1.992 179.730 177.584 0.257 0.000 1.189 877 A CA 1.266 53.385 52.037 0.137 0.000 0.615 877 A CB -1.236 17.803 19.000 0.065 0.000 0.830 877 A HN 0.600 nan 8.150 nan 0.000 0.443 878 F N 2.325 122.436 119.950 0.268 0.000 2.063 878 F HA -0.297 4.230 4.527 0.001 0.000 0.298 878 F C 1.816 177.860 175.800 0.407 0.000 1.109 878 F CA 2.256 60.513 58.000 0.428 0.000 1.212 878 F CB -0.776 38.519 39.000 0.493 0.000 0.973 878 F HN 0.265 nan 8.300 nan 0.000 0.480 879 N N 0.776 119.591 118.700 0.193 0.000 2.061 879 N HA -0.216 4.524 4.740 0.001 0.000 0.193 879 N C 2.020 177.609 175.510 0.132 0.000 1.030 879 N CA 2.007 55.126 53.050 0.114 0.000 0.856 879 N CB -0.816 37.800 38.487 0.215 0.000 1.023 879 N HN 0.384 nan 8.380 nan 0.000 0.424 880 L N 0.191 121.486 121.223 0.120 0.000 1.994 880 L HA -0.099 4.241 4.340 0.001 0.000 0.208 880 L C 2.006 178.954 176.870 0.130 0.000 1.071 880 L CA 0.839 55.735 54.840 0.093 0.000 0.745 880 L CB -0.522 41.578 42.059 0.068 0.000 0.892 880 L HN 0.123 nan 8.230 nan 0.000 0.431 881 L N -0.269 121.052 121.223 0.164 0.000 2.263 881 L HA -0.184 4.156 4.340 0.001 0.000 0.216 881 L C 2.556 179.619 176.870 0.321 0.000 1.111 881 L CA 1.147 56.157 54.840 0.283 0.000 0.773 881 L CB -1.148 41.139 42.059 0.380 0.000 0.906 881 L HN 0.338 nan 8.230 nan 0.000 0.439 882 G N 0.597 109.532 108.800 0.225 0.000 2.446 882 G HA2 -0.220 3.740 3.960 0.001 0.000 0.217 882 G HA3 -0.220 3.740 3.960 0.001 0.000 0.217 882 G C 1.462 176.546 174.900 0.307 0.000 1.168 882 G CA 0.777 46.046 45.100 0.282 0.000 0.771 882 G HN 0.397 nan 8.290 nan 0.000 0.551 883 L N 0.159 121.487 121.223 0.176 0.000 2.465 883 L HA 0.126 4.466 4.340 0.001 0.000 0.224 883 L C 2.614 179.597 176.870 0.189 0.000 1.145 883 L CA 0.235 55.118 54.840 0.072 0.000 0.834 883 L CB -0.487 41.536 42.059 -0.060 0.000 0.944 883 L HN 0.183 nan 8.230 nan 0.000 0.451 884 M N 0.457 120.242 119.600 0.308 0.000 2.447 884 M HA 0.153 4.633 4.480 0.001 0.000 0.264 884 M C 1.312 177.904 176.300 0.486 0.000 1.095 884 M CA 0.196 55.815 55.300 0.533 0.000 1.125 884 M CB -0.456 32.506 32.600 0.603 0.000 1.389 884 M HN 0.222 nan 8.290 nan 0.000 0.459 885 A N 2.041 125.042 122.820 0.301 0.000 2.520 885 A HA 0.120 4.441 4.320 0.001 0.000 0.235 885 A C -1.388 176.286 177.584 0.150 0.000 1.065 885 A CA -0.828 51.310 52.037 0.169 0.000 0.764 885 A CB -0.477 18.605 19.000 0.137 0.000 1.002 885 A HN 0.125 nan 8.150 nan 0.000 0.502 886 P HA -0.247 nan 4.420 nan 0.000 0.216 886 P C 1.696 179.042 177.300 0.076 0.000 1.154 886 P CA 2.425 65.573 63.100 0.081 0.000 0.865 886 P CB 0.026 31.755 31.700 0.048 0.000 0.789 887 A N -0.322 122.546 122.820 0.079 0.000 1.852 887 A HA -0.251 4.069 4.320 0.001 0.000 0.217 887 A C 2.291 179.927 177.584 0.086 0.000 1.215 887 A CA 2.108 54.194 52.037 0.082 0.000 0.641 887 A CB -1.694 17.363 19.000 0.095 0.000 0.838 887 A HN 0.122 nan 8.150 nan 0.000 0.450 888 I N -0.549 120.086 120.570 0.107 0.000 2.315 888 I HA -0.201 3.970 4.170 0.001 0.000 0.248 888 I C 2.370 178.522 176.117 0.058 0.000 1.117 888 I CA 0.949 62.301 61.300 0.088 0.000 1.404 888 I CB -0.216 37.840 38.000 0.093 0.000 1.071 888 I HN 0.185 nan 8.210 nan 0.000 0.419 889 V N 1.282 121.236 119.914 0.067 0.000 2.317 889 V HA -0.365 3.755 4.120 0.001 0.000 0.251 889 V C 2.018 178.127 176.094 0.024 0.000 1.065 889 V CA 2.177 64.498 62.300 0.036 0.000 1.049 889 V CB -0.837 31.006 31.823 0.034 0.000 0.651 889 V HN 0.522 nan 8.190 nan 0.000 0.450 890 N N -0.255 118.466 118.700 0.036 0.000 2.396 890 N HA -0.037 4.703 4.740 0.001 0.000 0.180 890 N C 1.779 177.306 175.510 0.027 0.000 1.028 890 N CA 1.031 54.101 53.050 0.034 0.000 0.893 890 N CB -0.053 38.457 38.487 0.039 0.000 0.967 890 N HN 0.438 nan 8.380 nan 0.000 0.440 891 L N 0.330 121.568 121.223 0.025 0.000 2.056 891 L HA -0.145 4.196 4.340 0.001 0.000 0.207 891 L C 2.508 179.358 176.870 -0.034 0.000 1.078 891 L CA 0.859 55.706 54.840 0.012 0.000 0.749 891 L CB -0.585 41.490 42.059 0.028 0.000 0.901 891 L HN 0.222 nan 8.230 nan 0.000 0.433 892 C N -0.231 119.040 119.300 -0.047 0.000 2.425 892 C HA -0.154 4.307 4.460 0.001 0.000 0.277 892 C C 2.785 177.692 174.990 -0.138 0.000 1.280 892 C CA 0.614 59.557 59.018 -0.124 0.000 1.744 892 C CB -0.808 26.887 27.740 -0.075 0.000 1.989 892 C HN 0.531 nan 8.230 nan 0.000 0.491 893 Q N 0.713 120.509 119.800 -0.006 0.000 2.364 893 Q HA -0.125 4.216 4.340 0.001 0.000 0.209 893 Q C 2.187 178.276 176.000 0.147 0.000 0.977 893 Q CA 1.779 57.643 55.803 0.102 0.000 0.885 893 Q CB -0.083 28.707 28.738 0.087 0.000 0.941 893 Q HN 0.895 nan 8.270 nan 0.000 0.464 894 S N -1.318 114.402 115.700 0.034 0.000 2.599 894 S HA 0.105 4.575 4.470 0.001 0.000 0.236 894 S C 0.203 174.765 174.600 -0.064 0.000 1.077 894 S CA -0.260 57.987 58.200 0.079 0.000 0.906 894 S CB 0.695 63.936 63.200 0.068 0.000 0.804 894 S HN 0.001 nan 8.310 nan 0.000 0.497 895 D N 1.934 122.196 120.400 -0.230 0.000 2.990 895 D HA 0.472 5.112 4.640 0.001 0.000 0.227 895 D C -3.168 172.916 176.300 -0.360 0.000 1.249 895 D CA -1.393 52.440 54.000 -0.278 0.000 0.891 895 D CB 2.041 42.838 40.800 -0.004 0.000 1.647 895 D HN -0.005 nan 8.370 nan 0.000 0.530 896 P HA -0.046 nan 4.420 nan 0.000 0.266 896 P C -0.472 176.829 177.300 0.002 0.000 1.180 896 P CA 0.010 62.947 63.100 -0.273 0.000 0.765 896 P CB 0.672 32.300 31.700 -0.120 0.000 0.806 897 V N 4.256 124.190 119.914 0.033 0.000 2.495 897 V HA 0.388 4.509 4.120 0.001 0.000 0.298 897 V C -0.294 175.798 176.094 -0.003 0.000 1.031 897 V CA -0.466 61.861 62.300 0.045 0.000 0.871 897 V CB 1.200 33.019 31.823 -0.007 0.000 0.988 897 V HN 0.400 nan 8.190 nan 0.000 0.432 898 F N 3.573 123.377 119.950 -0.244 0.000 2.422 898 F HA 0.749 5.277 4.527 0.001 0.000 0.333 898 F C 0.310 175.967 175.800 -0.238 0.000 1.095 898 F CA -0.413 57.327 58.000 -0.434 0.000 1.038 898 F CB 1.454 39.910 39.000 -0.907 0.000 1.156 898 F HN 0.524 nan 8.300 nan 0.000 0.483 899 A N 4.957 127.743 122.820 -0.057 0.000 2.702 899 A HA 0.210 4.530 4.320 0.001 0.000 0.305 899 A C -1.212 176.307 177.584 -0.108 0.000 1.213 899 A CA -0.655 51.316 52.037 -0.111 0.000 0.745 899 A CB 0.150 18.992 19.000 -0.264 0.000 1.161 899 A HN 0.654 nan 8.150 nan 0.000 0.445 900 D N 3.187 123.527 120.400 -0.100 0.000 2.357 900 D HA 0.089 4.729 4.640 0.001 0.000 0.265 900 D C 0.261 176.460 176.300 -0.168 0.000 1.334 900 D CA 0.241 54.138 54.000 -0.172 0.000 0.984 900 D CB 0.350 40.865 40.800 -0.476 0.000 1.077 900 D HN 0.541 nan 8.370 nan 0.000 0.514 901 L N 3.211 124.379 121.223 -0.092 0.000 2.848 901 L HA 0.158 4.499 4.340 0.001 0.000 0.240 901 L C 0.745 177.561 176.870 -0.091 0.000 1.232 901 L CA -0.488 54.310 54.840 -0.069 0.000 1.031 901 L CB -0.522 41.464 42.059 -0.122 0.000 1.338 901 L HN 0.158 nan 8.230 nan 0.000 0.509 902 N N 0.951 119.677 118.700 0.044 0.000 2.499 902 N HA 0.136 4.876 4.740 0.001 0.000 0.281 902 N C 1.122 176.856 175.510 0.374 0.000 1.098 902 N CA -0.089 53.056 53.050 0.159 0.000 0.979 902 N CB 1.841 40.419 38.487 0.152 0.000 1.121 902 N HN 0.145 nan 8.380 nan 0.000 0.466 903 G N 1.436 110.559 108.800 0.539 0.000 3.194 903 G HA2 0.194 4.154 3.960 0.001 0.000 0.208 903 G HA3 0.194 4.154 3.960 0.001 0.000 0.208 903 G C 0.942 176.081 174.900 0.398 0.000 1.240 903 G CA 0.190 45.576 45.100 0.477 0.000 1.044 903 G HN 1.073 nan 8.290 nan 0.000 0.495 904 G N -0.720 108.435 108.800 0.592 0.000 2.143 904 G HA2 -0.299 3.662 3.960 0.001 0.000 0.248 904 G HA3 -0.299 3.662 3.960 0.001 0.000 0.248 904 G C 1.021 176.232 174.900 0.518 0.000 0.991 904 G CA 0.380 45.905 45.100 0.707 0.000 0.689 904 G HN 0.508 nan 8.290 nan 0.000 0.522 905 L N -0.139 121.300 121.223 0.360 0.000 2.633 905 L HA 0.022 4.362 4.340 0.001 0.000 0.235 905 L C 2.681 179.664 176.870 0.189 0.000 1.163 905 L CA 1.505 56.523 54.840 0.297 0.000 0.859 905 L CB -0.116 42.137 42.059 0.323 0.000 0.973 905 L HN 0.374 nan 8.230 nan 0.000 0.451 906 Q N -0.926 118.902 119.800 0.047 0.000 2.226 906 Q HA -0.143 4.198 4.340 0.001 0.000 0.204 906 Q C 1.472 177.333 176.000 -0.232 0.000 0.975 906 Q CA 1.558 57.253 55.803 -0.179 0.000 0.866 906 Q CB -0.239 28.247 28.738 -0.420 0.000 0.915 906 Q HN 0.433 nan 8.270 nan 0.000 0.440 907 F N 0.030 120.068 119.950 0.148 0.000 2.789 907 F HA 0.207 4.735 4.527 0.001 0.000 0.300 907 F C 0.483 176.348 175.800 0.109 0.000 1.132 907 F CA -0.212 57.858 58.000 0.116 0.000 1.404 907 F CB 0.189 39.257 39.000 0.113 0.000 1.114 907 F HN -0.067 nan 8.300 nan 0.000 0.584 908 I N 2.989 123.711 120.570 0.253 0.000 2.291 908 I HA 0.238 4.408 4.170 0.001 0.000 0.292 908 I C -2.354 173.838 176.117 0.125 0.000 1.064 908 I CA -1.900 59.511 61.300 0.185 0.000 1.269 908 I CB 0.063 38.178 38.000 0.192 0.000 1.418 908 I HN -0.216 nan 8.210 nan 0.000 0.485 909 P HA 0.169 nan 4.420 nan 0.000 0.279 909 P C -0.031 177.285 177.300 0.027 0.000 1.252 909 P CA -0.199 62.934 63.100 0.055 0.000 0.811 909 P CB 0.551 32.285 31.700 0.056 0.000 1.035 910 D N -0.237 120.154 120.400 -0.016 0.000 2.708 910 D HA -0.147 4.494 4.640 0.001 0.000 0.236 910 D C 0.710 176.967 176.300 -0.072 0.000 1.146 910 D CA 0.178 54.145 54.000 -0.055 0.000 0.662 910 D CB -0.683 40.103 40.800 -0.023 0.000 1.059 910 D HN 0.186 nan 8.370 nan 0.000 0.428 911 L N 1.001 122.170 121.223 -0.090 0.000 2.042 911 L HA -0.137 4.204 4.340 0.001 0.000 0.210 911 L C 2.340 179.097 176.870 -0.188 0.000 1.076 911 L CA 2.729 57.539 54.840 -0.048 0.000 0.749 911 L CB -0.751 41.340 42.059 0.053 0.000 0.893 911 L HN 0.170 nan 8.230 nan 0.000 0.432 912 K N -0.075 119.996 120.400 -0.547 0.000 2.052 912 K HA -0.169 4.152 4.320 0.001 0.000 0.215 912 K C 1.993 178.483 176.600 -0.183 0.000 1.053 912 K CA 2.088 58.027 56.287 -0.581 0.000 0.934 912 K CB -1.288 30.846 32.500 -0.610 0.000 0.717 912 K HN 0.427 nan 8.250 nan 0.000 0.450 913 G N 0.664 109.388 108.800 -0.127 0.000 2.402 913 G HA2 -0.216 3.745 3.960 0.001 0.000 0.216 913 G HA3 -0.216 3.745 3.960 0.001 0.000 0.216 913 G C 1.464 176.365 174.900 0.001 0.000 1.162 913 G CA 0.871 45.945 45.100 -0.044 0.000 0.777 913 G HN 0.353 nan 8.290 nan 0.000 0.539 914 L N 0.958 122.191 121.223 0.018 0.000 1.971 914 L HA -0.130 4.210 4.340 0.001 0.000 0.215 914 L C 2.907 179.830 176.870 0.088 0.000 1.072 914 L CA 2.296 57.174 54.840 0.063 0.000 0.758 914 L CB -0.558 41.557 42.059 0.094 0.000 0.889 914 L HN 0.330 nan 8.230 nan 0.000 0.433 915 M N -0.964 118.708 119.600 0.119 0.000 2.117 915 M HA -0.170 4.310 4.480 0.001 0.000 0.262 915 M C 2.118 178.480 176.300 0.104 0.000 1.065 915 M CA 2.280 57.674 55.300 0.157 0.000 1.114 915 M CB -1.428 31.299 32.600 0.211 0.000 1.361 915 M HN 0.572 nan 8.290 nan 0.000 0.408 916 T N -0.805 113.792 114.554 0.071 0.000 2.803 916 T HA -0.121 4.230 4.350 0.001 0.000 0.269 916 T C 1.666 176.394 174.700 0.047 0.000 1.052 916 T CA 1.323 63.454 62.100 0.052 0.000 1.136 916 T CB -0.317 68.569 68.868 0.030 0.000 0.864 916 T HN 0.429 nan 8.240 nan 0.000 0.467 917 K N 0.948 121.377 120.400 0.047 0.000 1.984 917 K HA 0.166 4.487 4.320 0.001 0.000 0.209 917 K C 2.334 178.965 176.600 0.051 0.000 1.046 917 K CA 1.150 57.463 56.287 0.044 0.000 0.934 917 K CB -0.494 32.031 32.500 0.042 0.000 0.717 917 K HN 0.225 nan 8.250 nan 0.000 0.438 918 L N 1.015 122.278 121.223 0.066 0.000 2.042 918 L HA -0.208 4.132 4.340 0.001 0.000 0.210 918 L C 2.659 179.570 176.870 0.068 0.000 1.076 918 L CA 1.136 56.019 54.840 0.072 0.000 0.749 918 L CB -0.328 41.789 42.059 0.096 0.000 0.893 918 L HN 0.164 nan 8.230 nan 0.000 0.432 919 R N 0.243 120.786 120.500 0.071 0.000 2.113 919 R HA -0.239 4.101 4.340 0.001 0.000 0.244 919 R C 2.258 178.585 176.300 0.045 0.000 1.142 919 R CA 1.897 58.032 56.100 0.059 0.000 0.953 919 R CB -0.381 29.953 30.300 0.056 0.000 0.860 919 R HN 0.356 nan 8.270 nan 0.000 0.438 920 K N 0.824 121.249 120.400 0.042 0.000 1.973 920 K HA -0.192 4.128 4.320 0.001 0.000 0.210 920 K C 2.083 178.703 176.600 0.034 0.000 1.045 920 K CA 2.003 58.310 56.287 0.034 0.000 0.937 920 K CB -0.157 32.361 32.500 0.030 0.000 0.721 920 K HN 0.291 nan 8.250 nan 0.000 0.438 921 E N 0.770 120.991 120.200 0.035 0.000 2.108 921 E HA -0.282 4.069 4.350 0.001 0.000 0.203 921 E C 1.951 178.571 176.600 0.035 0.000 1.022 921 E CA 2.148 58.568 56.400 0.034 0.000 0.823 921 E CB -0.744 28.978 29.700 0.036 0.000 0.744 921 E HN 0.412 nan 8.360 nan 0.000 0.456 922 I N 0.165 120.758 120.570 0.040 0.000 2.113 922 I HA -0.255 3.915 4.170 0.001 0.000 0.238 922 I C 2.651 178.789 176.117 0.036 0.000 1.070 922 I CA 1.186 62.510 61.300 0.040 0.000 1.332 922 I CB -0.376 37.653 38.000 0.047 0.000 1.044 922 I HN 0.192 nan 8.210 nan 0.000 0.402 923 M N 0.056 119.676 119.600 0.034 0.000 2.202 923 M HA -0.227 4.254 4.480 0.001 0.000 0.262 923 M C 2.160 178.476 176.300 0.026 0.000 1.063 923 M CA 1.637 56.954 55.300 0.029 0.000 1.097 923 M CB -1.221 31.395 32.600 0.027 0.000 1.382 923 M HN 0.315 nan 8.290 nan 0.000 0.413 924 E N -0.101 120.115 120.200 0.026 0.000 2.046 924 E HA -0.151 4.199 4.350 0.001 0.000 0.190 924 E C 1.887 178.501 176.600 0.023 0.000 0.982 924 E CA 1.898 58.312 56.400 0.024 0.000 0.800 924 E CB 0.184 29.898 29.700 0.023 0.000 0.756 924 E HN 0.617 nan 8.360 nan 0.000 0.449 925 T N -1.019 113.550 114.554 0.025 0.000 2.821 925 T HA -0.149 4.202 4.350 0.001 0.000 0.267 925 T C 2.162 176.876 174.700 0.023 0.000 1.046 925 T CA 1.454 63.568 62.100 0.023 0.000 1.139 925 T CB -0.426 68.457 68.868 0.025 0.000 0.871 925 T HN 0.153 nan 8.240 nan 0.000 0.454 926 S N 2.567 118.282 115.700 0.026 0.000 2.368 926 S HA 0.063 4.534 4.470 0.001 0.000 0.224 926 S C 2.486 177.100 174.600 0.023 0.000 1.029 926 S CA 0.997 59.212 58.200 0.025 0.000 0.988 926 S CB -1.043 62.175 63.200 0.029 0.000 0.838 926 S HN 0.737 nan 8.310 nan 0.000 0.462 927 A N 2.334 125.167 122.820 0.022 0.000 1.859 927 A HA -0.019 4.302 4.320 0.001 0.000 0.217 927 A C 2.268 179.863 177.584 0.018 0.000 1.198 927 A CA 1.782 53.830 52.037 0.020 0.000 0.629 927 A CB -1.171 17.840 19.000 0.019 0.000 0.830 927 A HN 0.608 nan 8.150 nan 0.000 0.446 928 I N -1.108 119.473 120.570 0.018 0.000 2.113 928 I HA -0.347 3.824 4.170 0.001 0.000 0.242 928 I C 2.778 178.905 176.117 0.016 0.000 1.064 928 I CA 2.150 63.460 61.300 0.016 0.000 1.320 928 I CB -0.350 37.660 38.000 0.016 0.000 1.028 928 I HN 0.375 nan 8.210 nan 0.000 0.406 929 R N 0.783 121.294 120.500 0.018 0.000 2.083 929 R HA -0.232 4.108 4.340 0.001 0.000 0.237 929 R C 2.413 178.723 176.300 0.017 0.000 1.137 929 R CA 1.987 58.098 56.100 0.018 0.000 0.951 929 R CB -0.179 30.133 30.300 0.019 0.000 0.851 929 R HN 0.575 nan 8.270 nan 0.000 0.434 930 Q N -1.192 118.619 119.800 0.018 0.000 2.331 930 Q HA 0.064 4.404 4.340 0.001 0.000 0.203 930 Q C 1.771 177.781 176.000 0.017 0.000 0.944 930 Q CA 0.927 56.741 55.803 0.018 0.000 0.892 930 Q CB 0.078 28.827 28.738 0.020 0.000 0.983 930 Q HN 0.297 nan 8.270 nan 0.000 0.482 931 A N 1.506 124.336 122.820 0.016 0.000 1.854 931 A HA -0.066 4.254 4.320 0.001 0.000 0.214 931 A C 2.360 179.952 177.584 0.014 0.000 1.192 931 A CA 1.225 53.271 52.037 0.015 0.000 0.611 931 A CB -0.864 18.145 19.000 0.014 0.000 0.832 931 A HN 0.197 nan 8.150 nan 0.000 0.442 932 V N 0.582 120.504 119.914 0.013 0.000 2.282 932 V HA -0.342 3.778 4.120 0.001 0.000 0.249 932 V C 2.455 178.556 176.094 0.012 0.000 1.057 932 V CA 2.320 64.627 62.300 0.012 0.000 1.032 932 V CB -0.752 31.078 31.823 0.012 0.000 0.645 932 V HN 0.587 nan 8.190 nan 0.000 0.447 933 I N -0.624 119.955 120.570 0.014 0.000 2.118 933 I HA -0.317 3.853 4.170 0.001 0.000 0.241 933 I C 2.571 178.698 176.117 0.016 0.000 1.070 933 I CA 1.868 63.177 61.300 0.015 0.000 1.327 933 I CB -0.582 37.428 38.000 0.017 0.000 1.034 933 I HN 0.261 nan 8.210 nan 0.000 0.405 934 K N 0.297 120.706 120.400 0.016 0.000 2.103 934 K HA -0.203 4.118 4.320 0.001 0.000 0.207 934 K C 2.119 178.728 176.600 0.014 0.000 1.048 934 K CA 1.249 57.545 56.287 0.016 0.000 0.930 934 K CB -0.173 32.336 32.500 0.016 0.000 0.716 934 K HN 0.292 nan 8.250 nan 0.000 0.444 935 E N 0.193 120.401 120.200 0.012 0.000 2.012 935 E HA -0.161 4.189 4.350 0.001 0.000 0.197 935 E C 2.189 178.794 176.600 0.008 0.000 1.007 935 E CA 2.084 58.490 56.400 0.010 0.000 0.816 935 E CB -0.556 29.149 29.700 0.009 0.000 0.762 935 E HN 0.459 nan 8.360 nan 0.000 0.451 936 T N -0.664 113.895 114.554 0.008 0.000 2.929 936 T HA 0.010 4.360 4.350 0.001 0.000 0.271 936 T C 1.958 176.662 174.700 0.007 0.000 1.085 936 T CA 1.293 63.397 62.100 0.005 0.000 1.125 936 T CB -0.134 68.737 68.868 0.006 0.000 0.874 936 T HN 0.166 nan 8.240 nan 0.000 0.494 937 A N 1.562 124.389 122.820 0.012 0.000 1.897 937 A HA 0.204 4.524 4.320 0.001 0.000 0.215 937 A C 2.354 179.947 177.584 0.015 0.000 1.181 937 A CA 0.985 53.032 52.037 0.017 0.000 0.620 937 A CB -0.704 18.309 19.000 0.021 0.000 0.821 937 A HN 0.549 nan 8.150 nan 0.000 0.443 938 I N -0.253 120.325 120.570 0.012 0.000 2.226 938 I HA -0.256 3.914 4.170 0.001 0.000 0.245 938 I C 2.427 178.547 176.117 0.005 0.000 1.100 938 I CA 1.473 62.779 61.300 0.011 0.000 1.374 938 I CB -0.456 37.550 38.000 0.010 0.000 1.057 938 I HN 0.443 nan 8.210 nan 0.000 0.413 939 E N 0.797 120.998 120.200 0.001 0.000 2.118 939 E HA -0.246 4.104 4.350 0.001 0.000 0.195 939 E C 1.786 178.377 176.600 -0.015 0.000 0.992 939 E CA 1.417 57.813 56.400 -0.007 0.000 0.804 939 E CB -0.187 29.508 29.700 -0.008 0.000 0.741 939 E HN 0.479 nan 8.360 nan 0.000 0.458 940 N N 0.685 119.377 118.700 -0.013 0.000 2.244 940 N HA -0.095 4.645 4.740 0.001 0.000 0.183 940 N C 1.339 176.837 175.510 -0.019 0.000 1.016 940 N CA 0.881 53.916 53.050 -0.025 0.000 0.866 940 N CB 0.011 38.490 38.487 -0.013 0.000 0.980 940 N HN 0.107 nan 8.380 nan 0.000 0.430 941 K N 0.108 120.510 120.400 0.003 0.000 2.211 941 K HA 0.027 4.347 4.320 0.001 0.000 0.203 941 K C 1.637 178.239 176.600 0.003 0.000 1.050 941 K CA 0.543 56.839 56.287 0.014 0.000 0.945 941 K CB 0.099 32.613 32.500 0.023 0.000 0.732 941 K HN 0.033 nan 8.250 nan 0.000 0.451 942 V N 0.757 120.668 119.914 -0.006 0.000 2.255 942 V HA -0.185 3.935 4.120 0.001 0.000 0.243 942 V C 2.297 178.378 176.094 -0.023 0.000 1.038 942 V CA 1.284 63.578 62.300 -0.009 0.000 1.008 942 V CB -0.342 31.476 31.823 -0.009 0.000 0.645 942 V HN 0.005 nan 8.190 nan 0.000 0.449 943 V N 1.061 120.953 119.914 -0.038 0.000 2.261 943 V HA -0.225 3.895 4.120 0.001 0.000 0.246 943 V C 2.209 178.251 176.094 -0.086 0.000 1.047 943 V CA 2.368 64.633 62.300 -0.059 0.000 1.015 943 V CB -0.798 30.983 31.823 -0.070 0.000 0.642 943 V HN 0.571 nan 8.190 nan 0.000 0.446 944 N N -0.272 118.358 118.700 -0.116 0.000 2.415 944 N HA 0.225 4.965 4.740 0.001 0.000 0.176 944 N C 0.857 176.334 175.510 -0.054 0.000 1.042 944 N CA 1.023 53.960 53.050 -0.189 0.000 0.902 944 N CB 0.271 38.537 38.487 -0.369 0.000 0.986 944 N HN 0.586 nan 8.380 nan 0.000 0.447 945 G N 0.818 109.613 108.800 -0.008 0.000 2.692 945 G HA2 -0.199 3.761 3.960 0.001 0.000 0.686 945 G HA3 -0.199 3.761 3.960 0.001 0.000 0.686 945 G C 0.271 175.210 174.900 0.065 0.000 1.243 945 G CA -0.266 44.853 45.100 0.031 0.000 0.782 945 G HN 0.001 nan 8.290 nan 0.000 0.625 946 E N 0.323 120.557 120.200 0.056 0.000 2.065 946 E HA -0.109 4.242 4.350 0.001 0.000 0.201 946 E C 2.164 178.817 176.600 0.088 0.000 1.016 946 E CA 2.224 58.662 56.400 0.063 0.000 0.818 946 E CB -0.137 29.591 29.700 0.047 0.000 0.749 946 E HN 0.593 nan 8.360 nan 0.000 0.453 947 D N -0.931 119.525 120.400 0.092 0.000 2.092 947 D HA -0.183 4.457 4.640 0.001 0.000 0.193 947 D C 1.924 178.318 176.300 0.157 0.000 0.994 947 D CA 1.314 55.376 54.000 0.103 0.000 0.828 947 D CB -0.557 40.297 40.800 0.089 0.000 0.963 947 D HN 0.300 nan 8.370 nan 0.000 0.450 948 H N 1.183 120.302 119.070 0.081 0.000 2.253 948 H HA -0.101 4.456 4.556 0.001 0.000 0.296 948 H C 1.809 177.210 175.328 0.120 0.000 1.074 948 H CA 1.574 57.673 56.048 0.084 0.000 1.263 948 H CB 0.173 29.907 29.762 -0.047 0.000 1.363 948 H HN 0.007 nan 8.280 nan 0.000 0.489 949 E N 0.626 121.013 120.200 0.312 0.000 2.118 949 E HA -0.122 4.228 4.350 0.001 0.000 0.195 949 E C 2.352 179.068 176.600 0.194 0.000 0.992 949 E CA 0.964 57.507 56.400 0.238 0.000 0.804 949 E CB -0.540 29.243 29.700 0.138 0.000 0.741 949 E HN 0.559 nan 8.360 nan 0.000 0.458 950 A N 1.239 124.151 122.820 0.152 0.000 1.865 950 A HA -0.148 4.172 4.320 0.001 0.000 0.217 950 A C 2.185 179.830 177.584 0.102 0.000 1.191 950 A CA 1.276 53.377 52.037 0.106 0.000 0.623 950 A CB -0.768 18.277 19.000 0.076 0.000 0.826 950 A HN 0.256 nan 8.150 nan 0.000 0.444 951 L N -1.765 119.530 121.223 0.120 0.000 2.711 951 L HA -0.002 4.338 4.340 0.001 0.000 0.242 951 L C 0.234 176.964 176.870 -0.233 0.000 1.153 951 L CA 0.466 55.283 54.840 -0.039 0.000 0.898 951 L CB -0.563 41.442 42.059 -0.090 0.000 1.044 951 L HN 0.512 nan 8.230 nan 0.000 0.437 952 Y N -0.352 119.911 120.300 -0.060 0.000 2.666 952 Y HA 0.339 4.890 4.550 0.001 0.000 0.264 952 Y C 0.351 176.246 175.900 -0.008 0.000 1.054 952 Y CA -0.634 57.437 58.100 -0.048 0.000 1.121 952 Y CB 0.513 38.931 38.460 -0.070 0.000 1.190 952 Y HN 0.021 nan 8.280 nan 0.000 0.587 953 R N 0.692 121.240 120.500 0.080 0.000 2.445 953 R HA 0.426 4.767 4.340 0.001 0.000 0.308 953 R C -0.185 176.131 176.300 0.027 0.000 0.961 953 R CA -1.059 55.078 56.100 0.061 0.000 0.862 953 R CB 1.504 31.837 30.300 0.056 0.000 1.144 953 R HN 0.172 nan 8.270 nan 0.000 0.447 954 R N 1.827 122.345 120.500 0.029 0.000 2.549 954 R HA -0.042 4.298 4.340 0.001 0.000 0.336 954 R C -0.290 176.016 176.300 0.010 0.000 0.891 954 R CA 0.318 56.428 56.100 0.016 0.000 1.102 954 R CB 0.149 30.462 30.300 0.021 0.000 0.899 954 R HN 0.322 nan 8.270 nan 0.000 0.407 955 V N 7.131 127.045 119.914 -0.000 0.000 2.352 955 V HA 0.115 4.235 4.120 0.001 0.000 0.253 955 V C 0.875 176.972 176.094 0.005 0.000 1.083 955 V CA -0.043 62.257 62.300 -0.001 0.000 0.993 955 V CB 0.112 31.928 31.823 -0.012 0.000 1.111 955 V HN 0.552 nan 8.190 nan 0.000 0.490 956 I N 4.992 125.569 120.570 0.011 0.000 2.396 956 I HA 0.171 4.342 4.170 0.001 0.000 0.289 956 I C 1.107 177.234 176.117 0.015 0.000 1.056 956 I CA -0.048 61.260 61.300 0.014 0.000 1.365 956 I CB 1.215 39.226 38.000 0.017 0.000 1.407 956 I HN 0.647 nan 8.210 nan 0.000 0.509 957 T N 2.646 117.208 114.554 0.014 0.000 2.901 957 T HA 0.197 4.548 4.350 0.001 0.000 0.301 957 T C -0.072 174.642 174.700 0.023 0.000 1.012 957 T CA -0.766 61.344 62.100 0.017 0.000 1.135 957 T CB 0.684 69.560 68.868 0.014 0.000 0.936 957 T HN 0.480 nan 8.240 nan 0.000 0.539 958 E N 3.259 123.476 120.200 0.028 0.000 2.200 958 E HA 0.319 4.669 4.350 0.001 0.000 0.283 958 E C -2.160 174.465 176.600 0.041 0.000 1.015 958 E CA -1.863 54.558 56.400 0.035 0.000 0.819 958 E CB 0.524 30.248 29.700 0.040 0.000 1.081 958 E HN 0.537 nan 8.360 nan 0.000 0.397 959 P HA 0.113 nan 4.420 nan 0.000 0.271 959 P C -0.511 176.828 177.300 0.066 0.000 1.216 959 P CA 0.032 63.163 63.100 0.051 0.000 0.776 959 P CB 0.856 32.587 31.700 0.050 0.000 0.881 960 R N 0.836 121.378 120.500 0.069 0.000 3.055 960 R HA 0.869 5.209 4.340 0.001 0.000 0.231 960 R C -0.938 175.425 176.300 0.106 0.000 1.443 960 R CA -1.139 55.017 56.100 0.093 0.000 1.063 960 R CB 1.591 31.936 30.300 0.074 0.000 1.514 960 R HN 0.493 nan 8.270 nan 0.000 0.510 961 A N 1.882 124.787 122.820 0.141 0.000 2.335 961 A HA 0.348 4.668 4.320 0.001 0.000 0.304 961 A C -1.242 176.448 177.584 0.176 0.000 1.118 961 A CA -0.893 51.238 52.037 0.157 0.000 0.757 961 A CB 0.805 19.920 19.000 0.192 0.000 1.188 961 A HN 0.727 nan 8.150 nan 0.000 0.460 962 N N 2.828 121.623 118.700 0.159 0.000 2.408 962 N HA 0.373 5.114 4.740 0.001 0.000 0.280 962 N C -1.387 174.276 175.510 0.255 0.000 1.002 962 N CA -0.509 52.661 53.050 0.200 0.000 0.907 962 N CB 1.339 39.909 38.487 0.138 0.000 1.161 962 N HN 0.443 nan 8.380 nan 0.000 0.488 963 L N 2.468 123.934 121.223 0.404 0.000 2.328 963 L HA 0.231 4.571 4.340 0.001 0.000 0.280 963 L C 0.404 177.490 176.870 0.360 0.000 1.111 963 L CA -0.588 54.428 54.840 0.293 0.000 0.909 963 L CB 0.063 42.228 42.059 0.178 0.000 1.277 963 L HN 0.332 nan 8.230 nan 0.000 0.433 964 K N 2.602 123.150 120.400 0.247 0.000 2.447 964 K HA -0.028 4.292 4.320 0.001 0.000 0.281 964 K C -0.494 176.185 176.600 0.131 0.000 1.031 964 K CA 0.032 56.468 56.287 0.248 0.000 1.019 964 K CB 0.359 32.918 32.500 0.099 0.000 0.918 964 K HN 0.299 nan 8.250 nan 0.000 0.476 965 Y N 4.895 125.260 120.300 0.110 0.000 2.650 965 Y HA 0.152 4.702 4.550 0.001 0.000 0.343 965 Y C -2.150 173.699 175.900 -0.085 0.000 1.078 965 Y CA -2.500 55.550 58.100 -0.083 0.000 1.356 965 Y CB 0.428 38.824 38.460 -0.107 0.000 1.204 965 Y HN 0.468 nan 8.280 nan 0.000 0.508 966 P HA 0.072 nan 4.420 nan 0.000 0.281 966 P C -0.804 176.647 177.300 0.252 0.000 1.252 966 P CA 0.065 63.196 63.100 0.052 0.000 0.778 966 P CB 0.574 32.281 31.700 0.012 0.000 0.895 967 F N 3.354 123.349 119.950 0.074 0.000 2.368 967 F HA 0.397 4.924 4.527 0.001 0.000 0.315 967 F C -1.564 174.166 175.800 -0.117 0.000 1.145 967 F CA -2.868 55.132 58.000 -0.001 0.000 1.095 967 F CB -1.023 37.971 39.000 -0.011 0.000 1.286 967 F HN 0.194 nan 8.300 nan 0.000 0.530 968 P HA -0.022 nan 4.420 nan 0.000 0.265 968 P C -0.782 176.527 177.300 0.013 0.000 1.187 968 P CA 0.150 63.140 63.100 -0.183 0.000 0.766 968 P CB 0.197 31.651 31.700 -0.410 0.000 0.820 969 E N 1.972 122.202 120.200 0.051 0.000 2.415 969 E HA 0.019 4.369 4.350 0.001 0.000 0.260 969 E C -0.300 176.387 176.600 0.145 0.000 1.016 969 E CA -0.164 56.295 56.400 0.098 0.000 0.924 969 E CB 0.005 29.772 29.700 0.112 0.000 0.961 969 E HN 0.323 nan 8.360 nan 0.000 0.459 970 L N 6.752 128.054 121.223 0.132 0.000 2.433 970 L HA 0.170 4.510 4.340 0.001 0.000 0.275 970 L C -1.865 175.132 176.870 0.212 0.000 1.128 970 L CA -1.431 53.505 54.840 0.159 0.000 0.875 970 L CB -0.429 41.659 42.059 0.048 0.000 1.171 970 L HN 0.330 nan 8.230 nan 0.000 0.463 971 P HA -0.016 nan 4.420 nan 0.000 0.271 971 P C -0.815 176.599 177.300 0.190 0.000 1.233 971 P CA -0.365 62.864 63.100 0.216 0.000 0.795 971 P CB 0.416 32.244 31.700 0.213 0.000 0.936 972 D N -0.507 119.965 120.400 0.120 0.000 2.225 972 D HA 0.012 4.652 4.640 0.001 0.000 0.248 972 D C 0.873 177.223 176.300 0.084 0.000 1.096 972 D CA -0.424 53.653 54.000 0.128 0.000 0.863 972 D CB 0.306 41.158 40.800 0.086 0.000 1.156 972 D HN 0.426 nan 8.370 nan 0.000 0.450 973 W N 3.563 124.839 121.300 -0.040 0.000 2.335 973 W HA -0.242 4.418 4.660 0.001 0.000 0.311 973 W C 0.282 176.745 176.519 -0.093 0.000 1.213 973 W CA 1.519 58.786 57.345 -0.130 0.000 1.274 973 W CB 0.202 29.648 29.460 -0.023 0.000 1.148 973 W HN 0.518 nan 8.180 nan 0.000 0.498 974 D N -0.201 120.108 120.400 -0.153 0.000 2.146 974 D HA -0.131 4.509 4.640 0.001 0.000 0.209 974 D C 2.218 178.382 176.300 -0.227 0.000 0.973 974 D CA 1.398 55.242 54.000 -0.261 0.000 0.860 974 D CB -0.484 40.279 40.800 -0.062 0.000 1.015 974 D HN 0.011 nan 8.370 nan 0.000 0.465 975 K N 0.263 120.593 120.400 -0.117 0.000 2.097 975 K HA -0.097 4.223 4.320 0.001 0.000 0.206 975 K C 0.984 177.504 176.600 -0.132 0.000 1.049 975 K CA 1.122 57.350 56.287 -0.098 0.000 0.933 975 K CB 0.080 32.557 32.500 -0.037 0.000 0.717 975 K HN 0.206 nan 8.250 nan 0.000 0.442 976 D N -0.413 119.900 120.400 -0.146 0.000 2.463 976 D HA 0.116 4.756 4.640 0.001 0.000 0.237 976 D C 1.903 178.059 176.300 -0.240 0.000 1.013 976 D CA 0.536 54.444 54.000 -0.152 0.000 0.910 976 D CB 0.601 41.355 40.800 -0.076 0.000 1.080 976 D HN 0.106 nan 8.370 nan 0.000 0.498 977 I N 0.329 120.698 120.570 -0.334 0.000 3.039 977 I HA 0.002 4.172 4.170 0.001 0.000 0.270 977 I C 2.351 178.118 176.117 -0.583 0.000 1.150 977 I CA 0.072 61.121 61.300 -0.418 0.000 1.448 977 I CB -0.053 37.717 38.000 -0.383 0.000 1.197 977 I HN -0.217 nan 8.210 nan 0.000 0.450 978 K N 1.769 121.672 120.400 -0.830 0.000 2.059 978 K HA -0.182 4.138 4.320 0.001 0.000 0.212 978 K C -0.691 175.666 176.600 -0.406 0.000 1.050 978 K CA 2.096 57.920 56.287 -0.771 0.000 0.927 978 K CB -0.910 31.163 32.500 -0.713 0.000 0.714 978 K HN 0.176 nan 8.250 nan 0.000 0.447 979 P HA -0.126 nan 4.420 nan 0.000 0.229 979 P C 0.452 177.644 177.300 -0.181 0.000 1.150 979 P CA 1.166 64.139 63.100 -0.212 0.000 0.765 979 P CB 0.122 31.709 31.700 -0.188 0.000 0.783 980 L N -2.406 118.689 121.223 -0.214 0.000 2.577 980 L HA 0.182 4.523 4.340 0.001 0.000 0.225 980 L C 2.131 178.939 176.870 -0.103 0.000 1.053 980 L CA 0.215 54.960 54.840 -0.158 0.000 0.866 980 L CB -0.852 41.067 42.059 -0.233 0.000 1.132 980 L HN -0.168 nan 8.230 nan 0.000 0.486 981 N N 1.053 119.670 118.700 -0.138 0.000 2.091 981 N HA -0.262 4.478 4.740 0.001 0.000 0.193 981 N C 1.386 176.890 175.510 -0.011 0.000 1.021 981 N CA 1.934 54.955 53.050 -0.048 0.000 0.862 981 N CB -0.083 38.359 38.487 -0.075 0.000 1.018 981 N HN 0.236 nan 8.380 nan 0.000 0.429 982 D N 0.255 120.631 120.400 -0.041 0.000 2.133 982 D HA -0.164 4.476 4.640 0.001 0.000 0.195 982 D C 1.926 178.218 176.300 -0.014 0.000 0.997 982 D CA 1.113 55.100 54.000 -0.022 0.000 0.840 982 D CB -0.235 40.542 40.800 -0.038 0.000 0.947 982 D HN 0.546 nan 8.370 nan 0.000 0.452 983 Q N -0.467 119.323 119.800 -0.017 0.000 2.096 983 Q HA 0.075 4.416 4.340 0.001 0.000 0.197 983 Q C 2.212 178.211 176.000 -0.001 0.000 0.964 983 Q CA 0.551 56.349 55.803 -0.008 0.000 0.838 983 Q CB 0.209 28.948 28.738 0.001 0.000 0.906 983 Q HN 0.272 nan 8.270 nan 0.000 0.444 984 L N 0.146 121.378 121.223 0.016 0.000 2.585 984 L HA 0.138 4.479 4.340 0.001 0.000 0.226 984 L C 0.933 177.823 176.870 0.033 0.000 1.113 984 L CA -0.197 54.661 54.840 0.029 0.000 0.876 984 L CB 0.138 42.246 42.059 0.081 0.000 1.072 984 L HN 0.075 nan 8.230 nan 0.000 0.468 985 R N 1.055 121.581 120.500 0.044 0.000 2.458 985 R HA 0.081 4.422 4.340 0.001 0.000 0.303 985 R C 1.100 177.418 176.300 0.030 0.000 1.013 985 R CA 0.932 57.068 56.100 0.061 0.000 1.026 985 R CB 0.193 30.537 30.300 0.073 0.000 0.948 985 R HN 0.302 nan 8.270 nan 0.000 0.417 986 G N 4.631 113.452 108.800 0.034 0.000 2.200 986 G HA2 -0.272 3.688 3.960 0.001 0.000 0.267 986 G HA3 -0.272 3.688 3.960 0.001 0.000 0.267 986 G C 0.663 175.554 174.900 -0.014 0.000 0.993 986 G CA 0.461 45.569 45.100 0.013 0.000 0.701 986 G HN 0.566 nan 8.290 nan 0.000 0.524 987 M N -0.378 119.201 119.600 -0.033 0.000 2.628 987 M HA 0.345 4.825 4.480 0.001 0.000 0.232 987 M C 0.550 176.794 176.300 -0.092 0.000 1.128 987 M CA 0.494 55.757 55.300 -0.061 0.000 1.040 987 M CB -0.120 32.438 32.600 -0.070 0.000 1.608 987 M HN 0.108 nan 8.290 nan 0.000 0.507 988 V N 0.774 120.630 119.914 -0.097 0.000 2.817 988 V HA 0.239 4.359 4.120 0.001 0.000 0.303 988 V C -0.670 175.389 176.094 -0.058 0.000 1.151 988 V CA -1.380 60.834 62.300 -0.142 0.000 0.929 988 V CB 2.703 34.295 31.823 -0.384 0.000 1.030 988 V HN 0.215 nan 8.190 nan 0.000 0.427 989 N N 4.995 123.677 118.700 -0.030 0.000 2.405 989 N HA 0.204 4.944 4.740 0.001 0.000 0.260 989 N C 0.674 176.198 175.510 0.024 0.000 1.152 989 N CA -0.002 53.047 53.050 -0.001 0.000 0.948 989 N CB 0.756 39.239 38.487 -0.007 0.000 1.111 989 N HN 0.689 nan 8.380 nan 0.000 0.485 990 L N 1.705 122.951 121.223 0.039 0.000 2.675 990 L HA 0.019 4.360 4.340 0.001 0.000 0.238 990 L C 0.778 177.681 176.870 0.056 0.000 1.155 990 L CA 0.408 55.288 54.840 0.068 0.000 0.881 990 L CB -0.206 41.893 42.059 0.068 0.000 1.008 990 L HN 0.514 nan 8.230 nan 0.000 0.443 991 D N -0.074 120.347 120.400 0.035 0.000 2.407 991 D HA -0.009 4.632 4.640 0.001 0.000 0.208 991 D C 1.153 177.456 176.300 0.006 0.000 1.083 991 D CA 0.493 54.505 54.000 0.020 0.000 0.844 991 D CB 0.525 41.328 40.800 0.006 0.000 0.967 991 D HN 0.036 nan 8.370 nan 0.000 0.506 992 K N 0.112 120.520 120.400 0.013 0.000 2.758 992 K HA 0.266 4.586 4.320 0.001 0.000 0.208 992 K C -0.962 175.678 176.600 0.066 0.000 1.091 992 K CA -0.169 56.115 56.287 -0.006 0.000 1.059 992 K CB 2.342 34.818 32.500 -0.040 0.000 0.801 992 K HN -0.098 nan 8.250 nan 0.000 0.470 993 V N 1.978 121.964 119.914 0.120 0.000 2.378 993 V HA 0.256 4.376 4.120 0.001 0.000 0.288 993 V C -0.221 175.986 176.094 0.188 0.000 1.016 993 V CA -0.865 61.577 62.300 0.237 0.000 0.840 993 V CB 1.832 33.854 31.823 0.332 0.000 0.994 993 V HN -0.094 nan 8.190 nan 0.000 0.431 994 V N 6.068 126.122 119.914 0.234 0.000 2.439 994 V HA 0.561 4.681 4.120 0.001 0.000 0.282 994 V C -0.099 176.082 176.094 0.144 0.000 1.039 994 V CA -0.497 61.923 62.300 0.199 0.000 0.913 994 V CB 1.747 33.773 31.823 0.338 0.000 0.983 994 V HN 0.548 nan 8.190 nan 0.000 0.460 995 V N 4.915 124.889 119.914 0.100 0.000 2.709 995 V HA 0.390 4.510 4.120 0.001 0.000 0.308 995 V C -0.342 175.798 176.094 0.077 0.000 1.062 995 V CA -0.616 61.719 62.300 0.058 0.000 0.901 995 V CB 2.636 34.478 31.823 0.031 0.000 1.003 995 V HN 0.638 nan 8.190 nan 0.000 0.425 996 V N 4.300 124.261 119.914 0.078 0.000 2.387 996 V HA 0.179 4.299 4.120 0.001 0.000 0.260 996 V C 1.189 177.377 176.094 0.157 0.000 1.054 996 V CA 0.680 63.041 62.300 0.100 0.000 0.967 996 V CB 0.784 32.661 31.823 0.089 0.000 1.036 996 V HN 1.064 nan 8.190 nan 0.000 0.481 997 T N 3.368 118.010 114.554 0.148 0.000 3.039 997 T HA 0.293 4.643 4.350 0.001 0.000 0.250 997 T C 0.765 175.596 174.700 0.219 0.000 1.052 997 T CA 0.812 63.025 62.100 0.189 0.000 1.125 997 T CB 0.116 69.062 68.868 0.131 0.000 0.908 997 T HN 0.778 nan 8.240 nan 0.000 0.473 998 G N 0.884 109.746 108.800 0.103 0.000 2.569 998 G HA2 0.659 4.619 3.960 0.001 0.000 0.300 998 G HA3 0.659 4.619 3.960 0.001 0.000 0.300 998 G C -1.998 172.827 174.900 -0.124 0.000 1.269 998 G CA -0.433 44.686 45.100 0.032 0.000 0.959 998 G HN 0.299 nan 8.290 nan 0.000 0.478 999 L N 0.458 121.575 121.223 -0.176 0.000 2.676 999 L HA 0.682 5.022 4.340 0.001 0.000 0.262 999 L C -0.916 175.896 176.870 -0.096 0.000 0.932 999 L CA -0.340 54.364 54.840 -0.225 0.000 0.932 999 L CB 1.169 42.889 42.059 -0.566 0.000 1.355 999 L HN 1.062 nan 8.230 nan 0.000 0.421 1000 A N 4.430 127.247 122.820 -0.006 0.000 2.588 1000 A HA 0.918 5.239 4.320 0.001 0.000 0.290 1000 A C -1.476 176.153 177.584 0.076 0.000 1.136 1000 A CA -0.334 51.729 52.037 0.044 0.000 0.681 1000 A CB 2.323 21.381 19.000 0.098 0.000 1.282 1000 A HN 0.735 nan 8.150 nan 0.000 0.421 1001 E N -0.462 119.782 120.200 0.072 0.000 2.388 1001 E HA 0.568 4.918 4.350 0.001 0.000 0.282 1001 E C -2.127 174.490 176.600 0.029 0.000 1.026 1001 E CA -0.719 55.740 56.400 0.097 0.000 0.820 1001 E CB 1.105 30.797 29.700 -0.014 0.000 1.226 1001 E HN 0.374 nan 8.360 nan 0.000 0.432 1002 I N 1.688 122.291 120.570 0.054 0.000 2.447 1002 I HA 0.727 4.898 4.170 0.001 0.000 0.287 1002 I C 0.172 176.206 176.117 -0.138 0.000 1.023 1002 I CA 0.108 61.336 61.300 -0.120 0.000 1.083 1002 I CB 1.766 39.614 38.000 -0.253 0.000 1.245 1002 I HN 0.786 nan 8.210 nan 0.000 0.434 1003 G N 5.376 114.008 108.800 -0.279 0.000 2.782 1003 G HA2 0.471 4.431 3.960 0.001 0.000 0.304 1003 G HA3 0.471 4.431 3.960 0.001 0.000 0.304 1003 G C -2.616 172.132 174.900 -0.253 0.000 1.315 1003 G CA -0.792 44.153 45.100 -0.258 0.000 0.791 1003 G HN 0.253 nan 8.290 nan 0.000 0.519 1004 P HA -0.019 nan 4.420 nan 0.000 0.223 1004 P C 0.495 177.523 177.300 -0.452 0.000 1.144 1004 P CA 1.193 64.118 63.100 -0.291 0.000 0.783 1004 P CB 0.154 31.698 31.700 -0.260 0.000 0.771 1005 W N -1.075 120.160 121.300 -0.109 0.000 2.998 1005 W HA 0.428 5.088 4.660 0.001 0.000 0.336 1005 W C 0.989 177.538 176.519 0.051 0.000 1.112 1005 W CA 0.658 58.003 57.345 0.000 0.000 1.682 1005 W CB 0.742 30.184 29.460 -0.030 0.000 1.065 1005 W HN -0.042 nan 8.180 nan 0.000 0.570 1006 G N 1.107 109.982 108.800 0.126 0.000 2.409 1006 G HA2 -0.204 3.756 3.960 0.001 0.000 0.421 1006 G HA3 -0.204 3.756 3.960 0.001 0.000 0.421 1006 G C -0.509 174.437 174.900 0.077 0.000 1.259 1006 G CA -0.771 44.418 45.100 0.148 0.000 1.011 1006 G HN 0.126 nan 8.290 nan 0.000 0.497 1007 N N 0.341 119.144 118.700 0.171 0.000 2.340 1007 N HA 0.469 5.210 4.740 0.001 0.000 0.236 1007 N C 1.692 177.234 175.510 0.054 0.000 1.296 1007 N CA 1.045 54.170 53.050 0.124 0.000 0.896 1007 N CB 0.371 38.999 38.487 0.236 0.000 1.127 1007 N HN 1.721 nan 8.380 nan 0.000 0.442 1008 A N 0.505 123.327 122.820 0.004 0.000 1.986 1008 A HA -0.246 4.074 4.320 0.001 0.000 0.220 1008 A C 2.141 179.738 177.584 0.023 0.000 1.171 1008 A CA 1.434 53.452 52.037 -0.033 0.000 0.640 1008 A CB -0.628 18.338 19.000 -0.057 0.000 0.811 1008 A HN 0.734 nan 8.150 nan 0.000 0.451 1009 R N -0.679 119.842 120.500 0.036 0.000 2.082 1009 R HA -0.129 4.212 4.340 0.001 0.000 0.234 1009 R C 2.580 178.923 176.300 0.070 0.000 1.136 1009 R CA 2.128 58.251 56.100 0.039 0.000 0.935 1009 R CB -1.126 29.174 30.300 0.001 0.000 0.842 1009 R HN 0.751 nan 8.270 nan 0.000 0.430 1010 T N -0.327 114.297 114.554 0.115 0.000 2.788 1010 T HA -0.154 4.197 4.350 0.001 0.000 0.268 1010 T C 2.022 176.717 174.700 -0.007 0.000 1.044 1010 T CA 0.890 63.075 62.100 0.142 0.000 1.139 1010 T CB -0.206 68.903 68.868 0.402 0.000 0.867 1010 T HN 0.079 nan 8.240 nan 0.000 0.454 1011 R N 0.130 120.656 120.500 0.043 0.000 2.073 1011 R HA -0.098 4.242 4.340 0.001 0.000 0.234 1011 R C 2.273 178.498 176.300 -0.125 0.000 1.134 1011 R CA 1.707 57.781 56.100 -0.045 0.000 0.952 1011 R CB -1.066 29.191 30.300 -0.071 0.000 0.850 1011 R HN 0.764 nan 8.270 nan 0.000 0.433 1012 W N 2.058 123.240 121.300 -0.198 0.000 2.333 1012 W HA -0.222 4.439 4.660 0.001 0.000 0.316 1012 W C 1.540 177.939 176.519 -0.200 0.000 1.215 1012 W CA 1.564 58.806 57.345 -0.171 0.000 1.278 1012 W CB -0.219 29.171 29.460 -0.117 0.000 1.154 1012 W HN 0.230 nan 8.180 nan 0.000 0.486 1013 E N 0.181 120.197 120.200 -0.307 0.000 2.108 1013 E HA -0.344 4.006 4.350 0.001 0.000 0.203 1013 E C 1.986 178.227 176.600 -0.599 0.000 1.022 1013 E CA 2.332 58.416 56.400 -0.526 0.000 0.823 1013 E CB -0.566 28.795 29.700 -0.565 0.000 0.744 1013 E HN 0.269 nan 8.360 nan 0.000 0.456 1014 M N 0.816 119.992 119.600 -0.708 0.000 2.123 1014 M HA -0.137 4.343 4.480 0.001 0.000 0.263 1014 M C 2.050 178.016 176.300 -0.558 0.000 1.069 1014 M CA 1.628 56.492 55.300 -0.726 0.000 1.133 1014 M CB -0.086 31.897 32.600 -1.029 0.000 1.356 1014 M HN -0.009 nan 8.290 nan 0.000 0.415 1015 E N -0.717 119.159 120.200 -0.539 0.000 2.160 1015 E HA -0.197 4.153 4.350 0.001 0.000 0.195 1015 E C 1.489 177.823 176.600 -0.442 0.000 0.991 1015 E CA 1.429 57.573 56.400 -0.425 0.000 0.810 1015 E CB -0.003 29.505 29.700 -0.320 0.000 0.742 1015 E HN 0.587 nan 8.360 nan 0.000 0.466 1016 A N -0.491 121.913 122.820 -0.693 0.000 1.944 1016 A HA 0.054 4.374 4.320 0.001 0.000 0.209 1016 A C 1.612 178.927 177.584 -0.448 0.000 1.328 1016 A CA 0.336 51.939 52.037 -0.723 0.000 0.693 1016 A CB -0.519 17.695 19.000 -1.310 0.000 0.994 1016 A HN 0.294 nan 8.150 nan 0.000 0.485 1017 Y N -0.513 119.476 120.300 -0.518 0.000 2.365 1017 Y HA 0.293 4.843 4.550 0.001 0.000 0.293 1017 Y C 2.138 177.872 175.900 -0.277 0.000 1.119 1017 Y CA 0.580 58.476 58.100 -0.340 0.000 1.203 1017 Y CB -0.120 38.162 38.460 -0.296 0.000 1.026 1017 Y HN 0.519 nan 8.280 nan 0.000 0.549 1018 G N 0.134 108.830 108.800 -0.174 0.000 2.176 1018 G HA2 -0.253 3.707 3.960 0.001 0.000 0.232 1018 G HA3 -0.253 3.707 3.960 0.001 0.000 0.232 1018 G C 0.231 175.052 174.900 -0.131 0.000 0.986 1018 G CA 0.332 45.331 45.100 -0.168 0.000 0.643 1018 G HN 0.534 nan 8.290 nan 0.000 0.522 1019 K N -1.351 118.970 120.400 -0.133 0.000 2.578 1019 K HA 0.729 5.050 4.320 0.001 0.000 0.287 1019 K C -1.240 175.292 176.600 -0.113 0.000 1.010 1019 K CA -1.292 54.976 56.287 -0.032 0.000 0.889 1019 K CB 0.601 33.136 32.500 0.059 0.000 1.514 1019 K HN 0.033 nan 8.250 nan 0.000 0.424 1020 F N 1.997 121.938 119.950 -0.015 0.000 2.410 1020 F HA 0.279 4.807 4.527 0.001 0.000 0.348 1020 F C 0.958 176.756 175.800 -0.002 0.000 1.106 1020 F CA 0.005 58.002 58.000 -0.005 0.000 1.163 1020 F CB 1.678 40.706 39.000 0.047 0.000 1.129 1020 F HN 0.672 nan 8.300 nan 0.000 0.516 1021 S N 3.998 119.747 115.700 0.081 0.000 2.608 1021 S HA 0.098 4.568 4.470 0.001 0.000 0.261 1021 S C 1.203 175.881 174.600 0.130 0.000 1.314 1021 S CA -0.856 57.382 58.200 0.063 0.000 0.992 1021 S CB 0.692 63.883 63.200 -0.014 0.000 0.935 1021 S HN 0.720 nan 8.310 nan 0.000 0.564 1022 L N 0.502 121.786 121.223 0.102 0.000 2.079 1022 L HA -0.102 4.239 4.340 0.001 0.000 0.210 1022 L C 2.315 179.267 176.870 0.137 0.000 1.081 1022 L CA 2.142 57.050 54.840 0.113 0.000 0.752 1022 L CB -1.600 40.517 42.059 0.095 0.000 0.896 1022 L HN 0.829 nan 8.230 nan 0.000 0.433 1023 E N -0.417 119.858 120.200 0.125 0.000 2.110 1023 E HA -0.139 4.212 4.350 0.001 0.000 0.193 1023 E C 2.064 178.765 176.600 0.169 0.000 0.988 1023 E CA 1.283 57.767 56.400 0.140 0.000 0.804 1023 E CB -0.531 29.227 29.700 0.097 0.000 0.745 1023 E HN 0.584 nan 8.360 nan 0.000 0.458 1024 G N -0.302 108.613 108.800 0.192 0.000 2.394 1024 G HA2 -0.254 3.707 3.960 0.001 0.000 0.215 1024 G HA3 -0.254 3.707 3.960 0.001 0.000 0.215 1024 G C 1.777 176.896 174.900 0.366 0.000 1.165 1024 G CA 0.837 46.136 45.100 0.331 0.000 0.784 1024 G HN 0.336 nan 8.290 nan 0.000 0.535 1025 C N -0.007 119.455 119.300 0.270 0.000 2.388 1025 C HA -0.084 4.377 4.460 0.001 0.000 0.277 1025 C C 3.076 178.126 174.990 0.099 0.000 1.210 1025 C CA 1.001 60.092 59.018 0.121 0.000 1.743 1025 C CB -1.005 26.796 27.740 0.102 0.000 2.047 1025 C HN 0.289 nan 8.230 nan 0.000 0.458 1026 V N 0.604 120.586 119.914 0.114 0.000 2.324 1026 V HA -0.267 3.853 4.120 0.001 0.000 0.250 1026 V C 2.419 178.566 176.094 0.088 0.000 1.060 1026 V CA 2.101 64.438 62.300 0.062 0.000 1.042 1026 V CB -0.748 31.171 31.823 0.159 0.000 0.650 1026 V HN 0.612 nan 8.190 nan 0.000 0.450 1027 E N -0.727 119.578 120.200 0.174 0.000 2.031 1027 E HA -0.218 4.133 4.350 0.001 0.000 0.193 1027 E C 2.352 179.115 176.600 0.271 0.000 0.994 1027 E CA 1.488 58.025 56.400 0.229 0.000 0.800 1027 E CB -0.185 29.666 29.700 0.252 0.000 0.752 1027 E HN 0.424 nan 8.360 nan 0.000 0.447 1028 M N 0.283 120.006 119.600 0.206 0.000 2.065 1028 M HA -0.142 4.339 4.480 0.001 0.000 0.259 1028 M C 2.539 178.859 176.300 0.033 0.000 1.069 1028 M CA 1.339 56.719 55.300 0.133 0.000 1.110 1028 M CB -1.203 31.390 32.600 -0.012 0.000 1.328 1028 M HN 0.074 nan 8.290 nan 0.000 0.405 1029 A N -1.137 121.667 122.820 -0.027 0.000 2.076 1029 A HA -0.225 4.095 4.320 0.001 0.000 0.220 1029 A C 2.004 179.460 177.584 -0.213 0.000 1.160 1029 A CA 1.557 53.501 52.037 -0.156 0.000 0.653 1029 A CB -1.156 17.803 19.000 -0.069 0.000 0.801 1029 A HN 0.745 nan 8.150 nan 0.000 0.455 1030 W N 0.883 122.004 121.300 -0.298 0.000 2.441 1030 W HA -0.135 4.526 4.660 0.001 0.000 0.302 1030 W C 2.292 178.646 176.519 -0.274 0.000 1.191 1030 W CA 1.840 58.978 57.345 -0.345 0.000 1.327 1030 W CB -0.234 29.051 29.460 -0.292 0.000 1.128 1030 W HN 0.400 nan 8.180 nan 0.000 0.522 1031 M N -0.653 118.867 119.600 -0.134 0.000 2.288 1031 M HA -0.011 4.469 4.480 0.001 0.000 0.266 1031 M C 1.772 177.863 176.300 -0.348 0.000 1.072 1031 M CA 1.610 56.653 55.300 -0.428 0.000 1.132 1031 M CB -0.831 31.878 32.600 0.181 0.000 1.386 1031 M HN 0.007 nan 8.290 nan 0.000 0.432 1032 M N 1.132 120.606 119.600 -0.209 0.000 2.460 1032 M HA 0.088 4.568 4.480 0.001 0.000 0.263 1032 M C 0.992 177.079 176.300 -0.354 0.000 1.071 1032 M CA 1.296 56.467 55.300 -0.215 0.000 1.096 1032 M CB -0.252 32.228 32.600 -0.200 0.000 1.408 1032 M HN 0.768 nan 8.290 nan 0.000 0.463 1033 G N 0.769 109.289 108.800 -0.467 0.000 2.171 1033 G HA2 -0.224 3.736 3.960 0.001 0.000 0.238 1033 G HA3 -0.224 3.736 3.960 0.001 0.000 0.238 1033 G C 0.387 175.011 174.900 -0.460 0.000 1.039 1033 G CA -0.128 44.681 45.100 -0.486 0.000 0.759 1033 G HN 0.478 nan 8.290 nan 0.000 0.501 1034 L N -0.473 120.428 121.223 -0.537 0.000 2.477 1034 L HA 0.431 4.771 4.340 0.001 0.000 0.220 1034 L C 1.401 177.946 176.870 -0.541 0.000 1.106 1034 L CA 0.593 55.022 54.840 -0.685 0.000 0.851 1034 L CB -0.129 41.261 42.059 -1.115 0.000 0.994 1034 L HN 0.578 nan 8.230 nan 0.000 0.462 1035 I N -1.456 118.867 120.570 -0.412 0.000 2.692 1035 I HA 0.475 4.645 4.170 0.001 0.000 0.293 1035 I C -1.216 174.781 176.117 -0.200 0.000 1.200 1035 I CA -0.839 60.303 61.300 -0.264 0.000 1.036 1035 I CB 2.204 39.989 38.000 -0.357 0.000 1.258 1035 I HN -0.031 nan 8.210 nan 0.000 0.421 1036 K N 3.298 123.723 120.400 0.042 0.000 2.426 1036 K HA 0.426 4.746 4.320 0.001 0.000 0.251 1036 K C -1.215 175.687 176.600 0.503 0.000 0.941 1036 K CA -0.777 55.643 56.287 0.220 0.000 0.808 1036 K CB 2.272 34.813 32.500 0.069 0.000 1.265 1036 K HN 0.639 nan 8.250 nan 0.000 0.432 1037 N N 2.451 121.528 118.700 0.627 0.000 2.468 1037 N HA -0.046 4.694 4.740 0.001 0.000 0.265 1037 N C -1.092 174.590 175.510 0.286 0.000 1.199 1037 N CA 0.227 53.520 53.050 0.405 0.000 0.928 1037 N CB 0.434 38.998 38.487 0.129 0.000 1.059 1037 N HN 0.635 nan 8.380 nan 0.000 0.467 1038 H N 3.396 122.562 119.070 0.160 0.000 2.569 1038 H HA 0.265 4.822 4.556 0.001 0.000 0.357 1038 H C -1.147 174.209 175.328 0.046 0.000 1.153 1038 H CA -0.574 55.550 56.048 0.128 0.000 1.193 1038 H CB 1.231 31.118 29.762 0.207 0.000 1.602 1038 H HN 0.675 nan 8.280 nan 0.000 0.523 1039 N N 3.342 121.656 118.700 -0.643 0.000 2.732 1039 N HA 0.328 5.069 4.740 0.001 0.000 0.247 1039 N C -1.355 173.875 175.510 -0.467 0.000 1.305 1039 N CA -0.151 52.628 53.050 -0.451 0.000 0.762 1039 N CB 0.877 39.220 38.487 -0.241 0.000 1.361 1039 N HN 0.906 nan 8.380 nan 0.000 0.545 1040 G N 1.890 110.421 108.800 -0.447 0.000 2.315 1040 G HA2 0.201 4.162 3.960 0.001 0.000 0.294 1040 G HA3 0.201 4.162 3.960 0.001 0.000 0.294 1040 G C -3.320 171.620 174.900 0.067 0.000 1.300 1040 G CA -0.675 44.325 45.100 -0.166 0.000 0.843 1040 G HN 0.102 nan 8.290 nan 0.000 0.527 1041 P HA 0.356 nan 4.420 nan 0.000 0.265 1041 P C -0.446 177.003 177.300 0.247 0.000 1.193 1041 P CA 0.051 63.244 63.100 0.155 0.000 0.765 1041 P CB 0.619 32.376 31.700 0.094 0.000 0.823 1042 L N 4.667 126.007 121.223 0.194 0.000 2.427 1042 L HA 0.258 4.599 4.340 0.001 0.000 0.264 1042 L C 0.081 176.969 176.870 0.029 0.000 0.989 1042 L CA -0.543 54.360 54.840 0.106 0.000 0.865 1042 L CB 0.740 42.841 42.059 0.070 0.000 1.209 1042 L HN 0.534 nan 8.230 nan 0.000 0.430 1043 K N 2.774 123.183 120.400 0.016 0.000 3.239 1043 K HA -0.242 4.079 4.320 0.001 0.000 0.270 1043 K C 0.832 177.443 176.600 0.018 0.000 1.049 1043 K CA 0.474 56.764 56.287 0.004 0.000 0.769 1043 K CB -1.366 31.124 32.500 -0.017 0.000 1.305 1043 K HN 1.126 nan 8.250 nan 0.000 0.469 1044 G N 0.757 109.577 108.800 0.032 0.000 5.347 1044 G HA2 -0.431 3.530 3.960 0.001 0.000 0.299 1044 G HA3 -0.431 3.530 3.960 0.001 0.000 0.299 1044 G C 0.063 174.991 174.900 0.047 0.000 1.492 1044 G CA 0.430 45.550 45.100 0.034 0.000 0.991 1044 G HN 0.430 nan 8.290 nan 0.000 0.749 1045 K N 3.227 123.654 120.400 0.045 0.000 2.491 1045 K HA 0.319 4.639 4.320 0.001 0.000 0.279 1045 K C -1.983 174.674 176.600 0.096 0.000 1.026 1045 K CA -0.465 55.858 56.287 0.059 0.000 1.070 1045 K CB 0.463 32.995 32.500 0.052 0.000 0.887 1045 K HN 0.225 nan 8.250 nan 0.000 0.481 1046 P HA 0.054 nan 4.420 nan 0.000 0.271 1046 P C -1.548 175.881 177.300 0.215 0.000 1.244 1046 P CA 0.046 63.218 63.100 0.121 0.000 0.793 1046 P CB 0.229 31.966 31.700 0.062 0.000 0.984 1047 Y N -0.906 119.412 120.300 0.030 0.000 2.583 1047 Y HA 0.428 4.978 4.550 0.001 0.000 0.330 1047 Y C -1.545 174.359 175.900 0.006 0.000 1.185 1047 Y CA -0.433 57.693 58.100 0.042 0.000 1.107 1047 Y CB 0.863 39.382 38.460 0.100 0.000 1.344 1047 Y HN 0.527 nan 8.280 nan 0.000 0.463 1048 S N 3.671 118.822 115.700 -0.915 0.000 2.595 1048 S HA 0.997 5.467 4.470 0.001 0.000 0.281 1048 S C -0.288 173.732 174.600 -0.966 0.000 1.117 1048 S CA 0.078 57.852 58.200 -0.709 0.000 0.873 1048 S CB 1.688 64.653 63.200 -0.391 0.000 1.108 1048 S HN 2.388 nan 8.310 nan 0.000 0.477 1049 G N 0.668 109.174 108.800 -0.490 0.000 2.409 1049 G HA2 -0.072 3.889 3.960 0.001 0.000 0.421 1049 G HA3 -0.072 3.889 3.960 0.001 0.000 0.421 1049 G C -1.028 173.886 174.900 0.024 0.000 1.259 1049 G CA -0.610 44.274 45.100 -0.360 0.000 1.011 1049 G HN 0.927 nan 8.290 nan 0.000 0.497 1050 W N -0.551 120.842 121.300 0.154 0.000 2.223 1050 W HA 0.475 5.135 4.660 0.001 0.000 0.334 1050 W C 0.532 177.216 176.519 0.274 0.000 1.334 1050 W CA -0.560 56.907 57.345 0.202 0.000 1.246 1050 W CB 0.998 30.562 29.460 0.174 0.000 1.184 1050 W HN 0.344 nan 8.180 nan 0.000 0.563 1051 V N 3.449 123.688 119.914 0.541 0.000 2.841 1051 V HA 0.058 4.178 4.120 0.001 0.000 0.310 1051 V C -0.370 175.827 176.094 0.173 0.000 1.090 1051 V CA -0.908 61.576 62.300 0.305 0.000 0.930 1051 V CB 1.987 33.961 31.823 0.251 0.000 1.014 1051 V HN 0.345 nan 8.190 nan 0.000 0.425 1052 D N 2.765 123.230 120.400 0.110 0.000 2.417 1052 D HA 0.250 4.890 4.640 0.001 0.000 0.250 1052 D C 0.962 177.246 176.300 -0.026 0.000 1.166 1052 D CA 0.670 54.704 54.000 0.056 0.000 0.881 1052 D CB 2.051 42.901 40.800 0.082 0.000 1.164 1052 D HN 0.657 nan 8.370 nan 0.000 0.467 1053 A N 5.931 128.688 122.820 -0.104 0.000 1.902 1053 A HA -0.186 4.134 4.320 0.001 0.000 0.217 1053 A C 1.998 179.516 177.584 -0.110 0.000 1.181 1053 A CA 1.128 53.090 52.037 -0.126 0.000 0.623 1053 A CB -0.102 18.775 19.000 -0.205 0.000 0.818 1053 A HN 0.535 nan 8.150 nan 0.000 0.443 1054 K N -0.383 119.948 120.400 -0.115 0.000 1.979 1054 K HA -0.046 4.274 4.320 0.001 0.000 0.213 1054 K C 1.130 177.695 176.600 -0.058 0.000 1.036 1054 K CA 1.265 57.499 56.287 -0.087 0.000 0.954 1054 K CB -1.459 30.990 32.500 -0.085 0.000 0.743 1054 K HN 0.379 nan 8.250 nan 0.000 0.443 1055 T N 0.993 115.524 114.554 -0.039 0.000 2.769 1055 T HA 0.176 4.527 4.350 0.001 0.000 0.293 1055 T C 1.208 175.883 174.700 -0.041 0.000 0.931 1055 T CA -0.060 62.021 62.100 -0.031 0.000 1.139 1055 T CB 0.565 69.426 68.868 -0.013 0.000 0.881 1055 T HN 0.391 nan 8.240 nan 0.000 0.532 1056 G N 4.405 113.169 108.800 -0.059 0.000 2.615 1056 G HA2 -0.069 3.891 3.960 0.001 0.000 0.213 1056 G HA3 -0.069 3.891 3.960 0.001 0.000 0.213 1056 G C 0.640 175.482 174.900 -0.098 0.000 1.135 1056 G CA 0.089 45.137 45.100 -0.087 0.000 0.772 1056 G HN 0.739 nan 8.290 nan 0.000 0.542 1057 E N 0.718 120.876 120.200 -0.070 0.000 2.425 1057 E HA 0.134 4.484 4.350 0.001 0.000 0.258 1057 E C -2.218 174.340 176.600 -0.071 0.000 1.151 1057 E CA -1.387 54.963 56.400 -0.083 0.000 0.958 1057 E CB 0.197 29.866 29.700 -0.051 0.000 0.968 1057 E HN 0.105 nan 8.360 nan 0.000 0.451 1058 P HA 0.249 nan 4.420 nan 0.000 0.281 1058 P C -0.825 176.507 177.300 0.052 0.000 1.264 1058 P CA -0.462 62.582 63.100 -0.093 0.000 0.824 1058 P CB 0.844 32.245 31.700 -0.498 0.000 1.092 1059 V N 1.282 121.312 119.914 0.193 0.000 2.733 1059 V HA 0.258 4.379 4.120 0.001 0.000 0.306 1059 V C -0.703 175.534 176.094 0.237 0.000 1.084 1059 V CA -0.589 61.815 62.300 0.174 0.000 0.905 1059 V CB 2.097 34.022 31.823 0.171 0.000 1.010 1059 V HN 0.436 nan 8.190 nan 0.000 0.424 1060 D N 2.719 123.210 120.400 0.152 0.000 2.256 1060 D HA 0.235 4.875 4.640 0.001 0.000 0.250 1060 D C 0.607 177.000 176.300 0.155 0.000 1.093 1060 D CA -0.182 53.915 54.000 0.160 0.000 0.882 1060 D CB 1.866 42.727 40.800 0.103 0.000 1.185 1060 D HN 0.561 nan 8.370 nan 0.000 0.437 1061 D N 1.301 121.828 120.400 0.211 0.000 2.149 1061 D HA -0.242 4.399 4.640 0.001 0.000 0.194 1061 D C 1.883 178.251 176.300 0.113 0.000 1.001 1061 D CA 1.548 55.672 54.000 0.207 0.000 0.849 1061 D CB 0.000 40.933 40.800 0.222 0.000 0.939 1061 D HN 0.560 nan 8.370 nan 0.000 0.449 1062 K N 0.377 120.829 120.400 0.087 0.000 2.211 1062 K HA -0.145 4.175 4.320 0.001 0.000 0.204 1062 K C 0.826 177.440 176.600 0.023 0.000 1.047 1062 K CA 1.531 57.850 56.287 0.055 0.000 0.935 1062 K CB 0.051 32.580 32.500 0.049 0.000 0.728 1062 K HN 0.059 nan 8.250 nan 0.000 0.452 1063 D N 0.872 121.275 120.400 0.005 0.000 2.271 1063 D HA -0.031 4.609 4.640 0.001 0.000 0.206 1063 D C 2.053 178.272 176.300 -0.134 0.000 0.967 1063 D CA 0.404 54.371 54.000 -0.055 0.000 0.867 1063 D CB -0.024 40.739 40.800 -0.062 0.000 0.960 1063 D HN 0.030 nan 8.370 nan 0.000 0.509 1064 V N 1.639 121.484 119.914 -0.114 0.000 2.250 1064 V HA -0.348 3.772 4.120 0.001 0.000 0.253 1064 V C 2.550 178.541 176.094 -0.171 0.000 1.065 1064 V CA 2.061 64.246 62.300 -0.191 0.000 1.039 1064 V CB -0.389 31.420 31.823 -0.024 0.000 0.647 1064 V HN 0.163 nan 8.190 nan 0.000 0.446 1065 K N -0.655 119.713 120.400 -0.054 0.000 2.063 1065 K HA -0.186 4.135 4.320 0.001 0.000 0.208 1065 K C 2.165 178.743 176.600 -0.038 0.000 1.048 1065 K CA 1.537 57.817 56.287 -0.011 0.000 0.928 1065 K CB -0.371 32.147 32.500 0.029 0.000 0.713 1065 K HN 0.487 nan 8.250 nan 0.000 0.442 1066 A N 1.410 124.189 122.820 -0.068 0.000 1.835 1066 A HA -0.208 4.112 4.320 0.001 0.000 0.215 1066 A C 1.939 179.466 177.584 -0.095 0.000 1.199 1066 A CA 1.769 53.769 52.037 -0.062 0.000 0.615 1066 A CB -0.526 18.439 19.000 -0.059 0.000 0.838 1066 A HN 0.256 nan 8.150 nan 0.000 0.444 1067 K N -1.440 118.820 120.400 -0.233 0.000 1.971 1067 K HA -0.187 4.134 4.320 0.001 0.000 0.221 1067 K C 1.899 178.444 176.600 -0.092 0.000 1.050 1067 K CA 2.213 58.316 56.287 -0.306 0.000 0.967 1067 K CB -0.471 31.511 32.500 -0.862 0.000 0.733 1067 K HN 0.621 nan 8.250 nan 0.000 0.445 1068 Y N 0.568 120.863 120.300 -0.008 0.000 2.490 1068 Y HA 0.041 4.592 4.550 0.001 0.000 0.285 1068 Y C 2.133 178.050 175.900 0.028 0.000 1.117 1068 Y CA 0.139 58.228 58.100 -0.019 0.000 1.262 1068 Y CB -0.600 37.794 38.460 -0.110 0.000 1.043 1068 Y HN 0.280 nan 8.280 nan 0.000 0.553 1069 E N 1.521 121.798 120.200 0.129 0.000 2.070 1069 E HA -0.319 4.032 4.350 0.001 0.000 0.197 1069 E C 2.198 178.870 176.600 0.120 0.000 1.004 1069 E CA 1.852 58.306 56.400 0.089 0.000 0.805 1069 E CB 0.003 29.741 29.700 0.065 0.000 0.744 1069 E HN 0.422 nan 8.360 nan 0.000 0.451 1070 K N -0.193 120.285 120.400 0.129 0.000 2.034 1070 K HA -0.283 4.037 4.320 0.001 0.000 0.214 1070 K C 2.145 178.843 176.600 0.164 0.000 1.051 1070 K CA 1.978 58.338 56.287 0.123 0.000 0.931 1070 K CB -0.643 31.921 32.500 0.107 0.000 0.715 1070 K HN 0.334 nan 8.250 nan 0.000 0.446 1071 Y N 1.113 121.468 120.300 0.091 0.000 2.089 1071 Y HA -0.233 4.317 4.550 0.001 0.000 0.282 1071 Y C 1.978 177.939 175.900 0.102 0.000 1.139 1071 Y CA 2.095 60.273 58.100 0.129 0.000 1.123 1071 Y CB -0.092 38.445 38.460 0.128 0.000 0.980 1071 Y HN 0.046 nan 8.280 nan 0.000 0.493 1072 I N 0.376 121.207 120.570 0.435 0.000 2.145 1072 I HA -0.397 3.773 4.170 0.001 0.000 0.244 1072 I C 2.292 178.488 176.117 0.131 0.000 1.075 1072 I CA 1.803 63.246 61.300 0.239 0.000 1.332 1072 I CB -0.813 37.182 38.000 -0.008 0.000 1.033 1072 I HN 0.377 nan 8.210 nan 0.000 0.410 1073 L N 0.215 121.499 121.223 0.102 0.000 2.093 1073 L HA -0.185 4.155 4.340 0.001 0.000 0.208 1073 L C 2.611 179.506 176.870 0.041 0.000 1.085 1073 L CA 1.305 56.230 54.840 0.140 0.000 0.755 1073 L CB -0.622 41.546 42.059 0.182 0.000 0.904 1073 L HN 0.304 nan 8.230 nan 0.000 0.435 1074 E N -0.612 119.571 120.200 -0.029 0.000 2.274 1074 E HA -0.180 4.171 4.350 0.001 0.000 0.194 1074 E C 1.090 177.441 176.600 -0.415 0.000 0.996 1074 E CA 0.737 57.008 56.400 -0.215 0.000 0.840 1074 E CB 0.237 29.766 29.700 -0.285 0.000 0.772 1074 E HN 0.575 nan 8.360 nan 0.000 0.491 1075 H N -0.345 118.653 119.070 -0.121 0.000 2.512 1075 H HA 0.224 4.780 4.556 0.001 0.000 0.276 1075 H C -0.247 175.024 175.328 -0.095 0.000 1.126 1075 H CA 0.299 56.280 56.048 -0.112 0.000 1.060 1075 H CB 0.664 30.372 29.762 -0.090 0.000 1.646 1075 H HN 0.054 nan 8.280 nan 0.000 0.571 1076 S N -1.417 114.204 115.700 -0.132 0.000 2.651 1076 S HA 0.740 5.210 4.470 0.001 0.000 0.279 1076 S C 0.454 174.595 174.600 -0.764 0.000 1.148 1076 S CA -0.289 57.687 58.200 -0.373 0.000 0.837 1076 S CB 3.239 66.229 63.200 -0.351 0.000 1.138 1076 S HN 0.465 nan 8.310 nan 0.000 0.478 1077 G N 0.380 108.479 108.800 -1.169 0.000 2.512 1077 G HA2 -0.056 3.904 3.960 0.001 0.000 0.210 1077 G HA3 -0.056 3.904 3.960 0.001 0.000 0.210 1077 G C -0.933 173.702 174.900 -0.441 0.000 1.295 1077 G CA -0.485 43.885 45.100 -1.217 0.000 0.934 1077 G HN 1.122 nan 8.290 nan 0.000 0.554 1078 I N 2.557 123.030 120.570 -0.161 0.000 2.337 1078 I HA 0.451 4.622 4.170 0.001 0.000 0.291 1078 I C 1.101 177.177 176.117 -0.067 0.000 1.046 1078 I CA -0.237 61.020 61.300 -0.073 0.000 1.324 1078 I CB 0.521 38.529 38.000 0.014 0.000 1.409 1078 I HN 0.709 nan 8.210 nan 0.000 0.494 1079 R N 5.288 125.743 120.500 -0.075 0.000 2.947 1079 R HA 0.659 5.000 4.340 0.001 0.000 0.253 1079 R C -1.108 175.187 176.300 -0.009 0.000 1.208 1079 R CA -1.172 54.901 56.100 -0.045 0.000 1.012 1079 R CB 1.044 31.298 30.300 -0.077 0.000 1.267 1079 R HN 0.282 nan 8.270 nan 0.000 0.473 1080 L N 1.840 123.075 121.223 0.020 0.000 2.453 1080 L HA 0.186 4.526 4.340 0.001 0.000 0.272 1080 L C 0.459 177.355 176.870 0.044 0.000 1.182 1080 L CA -0.176 54.690 54.840 0.043 0.000 0.858 1080 L CB 0.329 42.408 42.059 0.034 0.000 1.120 1080 L HN 0.403 nan 8.230 nan 0.000 0.474 1081 I N 3.718 124.319 120.570 0.051 0.000 2.741 1081 I HA -0.078 4.092 4.170 0.001 0.000 0.288 1081 I C 0.434 176.653 176.117 0.170 0.000 1.192 1081 I CA 0.507 61.874 61.300 0.112 0.000 1.426 1081 I CB -0.011 38.057 38.000 0.112 0.000 1.367 1081 I HN 0.610 nan 8.210 nan 0.000 0.563 1082 E N 8.610 128.978 120.200 0.281 0.000 2.134 1082 E HA 0.202 4.552 4.350 0.001 0.000 0.278 1082 E C -1.809 175.002 176.600 0.353 0.000 0.959 1082 E CA -1.681 54.865 56.400 0.243 0.000 0.783 1082 E CB 1.375 31.192 29.700 0.195 0.000 1.095 1082 E HN 0.393 nan 8.360 nan 0.000 0.399 1083 P HA -0.145 nan 4.420 nan 0.000 0.220 1083 P C 0.613 178.069 177.300 0.260 0.000 1.152 1083 P CA 0.957 64.231 63.100 0.291 0.000 0.812 1083 P CB 0.304 32.096 31.700 0.153 0.000 0.792 1084 E N 0.232 120.526 120.200 0.157 0.000 2.147 1084 E HA -0.171 4.179 4.350 0.001 0.000 0.199 1084 E C 1.659 178.292 176.600 0.055 0.000 1.005 1084 E CA 0.969 57.422 56.400 0.090 0.000 0.810 1084 E CB -0.850 28.880 29.700 0.050 0.000 0.736 1084 E HN 0.311 nan 8.360 nan 0.000 0.460 1085 L N -0.456 120.787 121.223 0.034 0.000 2.610 1085 L HA 0.029 4.370 4.340 0.001 0.000 0.232 1085 L C 0.617 177.149 176.870 -0.564 0.000 1.149 1085 L CA 0.335 55.021 54.840 -0.256 0.000 0.872 1085 L CB 0.144 41.990 42.059 -0.355 0.000 0.992 1085 L HN 0.069 nan 8.230 nan 0.000 0.447 1086 F N -0.913 119.144 119.950 0.179 0.000 2.777 1086 F HA 0.350 4.878 4.527 0.001 0.000 0.361 1086 F C 1.370 177.257 175.800 0.145 0.000 1.254 1086 F CA -0.442 57.671 58.000 0.188 0.000 1.181 1086 F CB 0.507 39.678 39.000 0.286 0.000 1.082 1086 F HN -0.030 nan 8.300 nan 0.000 0.510 1087 G N 0.631 109.551 108.800 0.199 0.000 2.321 1087 G HA2 -0.027 3.933 3.960 0.001 0.000 0.287 1087 G HA3 -0.027 3.933 3.960 0.001 0.000 0.287 1087 G C 1.226 176.223 174.900 0.161 0.000 1.018 1087 G CA 0.561 45.746 45.100 0.142 0.000 0.855 1087 G HN 1.390 nan 8.290 nan 0.000 0.507 1088 G N -2.243 106.679 108.800 0.203 0.000 2.201 1088 G HA2 -0.078 3.882 3.960 0.001 0.000 0.212 1088 G HA3 -0.078 3.882 3.960 0.001 0.000 0.212 1088 G C 0.439 175.467 174.900 0.213 0.000 0.994 1088 G CA 0.319 45.521 45.100 0.169 0.000 0.644 1088 G HN 1.870 nan 8.290 nan 0.000 0.508 1089 Y N 2.401 122.793 120.300 0.153 0.000 2.811 1089 Y HA 0.425 4.975 4.550 0.001 0.000 0.334 1089 Y C -0.132 175.837 175.900 0.115 0.000 1.247 1089 Y CA 0.393 58.559 58.100 0.111 0.000 1.526 1089 Y CB 0.783 39.296 38.460 0.089 0.000 1.284 1089 Y HN 0.161 nan 8.280 nan 0.000 0.586 1090 D N 7.935 128.065 120.400 -0.450 0.000 2.478 1090 D HA 0.260 4.901 4.640 0.001 0.000 0.240 1090 D C -2.457 173.498 176.300 -0.576 0.000 1.364 1090 D CA -1.987 51.757 54.000 -0.425 0.000 0.987 1090 D CB 1.987 42.700 40.800 -0.145 0.000 1.328 1090 D HN 0.235 nan 8.370 nan 0.000 0.584 1091 P HA -0.048 nan 4.420 nan 0.000 0.223 1091 P C 0.872 178.160 177.300 -0.021 0.000 1.144 1091 P CA 0.628 63.577 63.100 -0.250 0.000 0.783 1091 P CB 0.343 32.029 31.700 -0.024 0.000 0.771 1092 N N -0.130 118.517 118.700 -0.089 0.000 2.494 1092 N HA -0.029 4.711 4.740 0.001 0.000 0.182 1092 N C 0.635 176.134 175.510 -0.018 0.000 1.076 1092 N CA 0.575 53.603 53.050 -0.035 0.000 0.908 1092 N CB 0.061 38.513 38.487 -0.059 0.000 0.967 1092 N HN 0.345 nan 8.380 nan 0.000 0.449 1093 R N -0.204 120.273 120.500 -0.038 0.000 2.638 1093 R HA 0.269 4.609 4.340 0.001 0.000 0.261 1093 R C -0.793 175.504 176.300 -0.006 0.000 1.515 1093 R CA -0.684 55.407 56.100 -0.015 0.000 1.623 1093 R CB -0.037 30.252 30.300 -0.019 0.000 1.347 1093 R HN -0.280 nan 8.270 nan 0.000 0.705 1094 K N 2.341 122.755 120.400 0.022 0.000 2.430 1094 K HA -0.080 4.241 4.320 0.001 0.000 0.280 1094 K C -0.283 176.304 176.600 -0.021 0.000 1.063 1094 K CA 0.324 56.624 56.287 0.022 0.000 1.071 1094 K CB 0.641 33.142 32.500 0.002 0.000 0.899 1094 K HN 0.506 nan 8.250 nan 0.000 0.473 1095 Q N 5.143 124.930 119.800 -0.021 0.000 2.288 1095 Q HA 0.302 4.642 4.340 0.001 0.000 0.258 1095 Q C -0.941 175.011 176.000 -0.080 0.000 0.957 1095 Q CA -0.398 55.384 55.803 -0.035 0.000 0.919 1095 Q CB 0.567 29.299 28.738 -0.010 0.000 1.185 1095 Q HN 0.595 nan 8.270 nan 0.000 0.408 1096 L N 3.727 124.910 121.223 -0.066 0.000 2.283 1096 L HA 0.600 4.940 4.340 0.001 0.000 0.259 1096 L C -0.728 176.120 176.870 -0.036 0.000 1.027 1096 L CA -1.310 53.486 54.840 -0.075 0.000 0.828 1096 L CB 1.830 43.841 42.059 -0.081 0.000 1.380 1096 L HN 0.661 nan 8.230 nan 0.000 0.425 1097 L N 1.083 122.291 121.223 -0.026 0.000 2.346 1097 L HA 0.521 4.861 4.340 0.001 0.000 0.274 1097 L C -0.648 176.222 176.870 -0.000 0.000 1.007 1097 L CA -0.476 54.362 54.840 -0.002 0.000 0.818 1097 L CB 2.073 44.144 42.059 0.020 0.000 1.284 1097 L HN 0.560 nan 8.230 nan 0.000 0.424 1098 Q N 2.225 122.029 119.800 0.006 0.000 2.331 1098 Q HA 0.280 4.620 4.340 0.001 0.000 0.267 1098 Q C -1.014 174.998 176.000 0.019 0.000 1.006 1098 Q CA -0.670 55.139 55.803 0.009 0.000 0.818 1098 Q CB 1.903 30.645 28.738 0.006 0.000 1.276 1098 Q HN 0.518 nan 8.270 nan 0.000 0.450 1099 E N 2.342 122.556 120.200 0.023 0.000 2.351 1099 E HA 0.149 4.500 4.350 0.001 0.000 0.266 1099 E C -0.964 175.651 176.600 0.026 0.000 1.031 1099 E CA -0.022 56.398 56.400 0.033 0.000 0.911 1099 E CB 1.077 30.799 29.700 0.036 0.000 0.986 1099 E HN 0.280 nan 8.360 nan 0.000 0.446 1100 V N 4.236 124.167 119.914 0.028 0.000 2.444 1100 V HA 0.127 4.247 4.120 0.001 0.000 0.294 1100 V C -0.006 176.102 176.094 0.024 0.000 1.022 1100 V CA -0.881 61.432 62.300 0.020 0.000 0.850 1100 V CB 1.917 33.748 31.823 0.013 0.000 0.992 1100 V HN 0.396 nan 8.190 nan 0.000 0.426 1101 V N 6.755 126.682 119.914 0.021 0.000 2.356 1101 V HA 0.266 4.386 4.120 0.001 0.000 0.258 1101 V C 0.524 176.624 176.094 0.009 0.000 1.065 1101 V CA -0.240 62.072 62.300 0.020 0.000 0.935 1101 V CB 0.749 32.584 31.823 0.022 0.000 1.061 1101 V HN 0.788 nan 8.190 nan 0.000 0.484 1102 I N 1.945 122.516 120.570 0.002 0.000 2.815 1102 I HA 0.165 4.335 4.170 0.001 0.000 0.291 1102 I C 0.561 176.675 176.117 -0.006 0.000 1.209 1102 I CA 0.391 61.688 61.300 -0.006 0.000 1.431 1102 I CB 0.543 38.532 38.000 -0.018 0.000 1.351 1102 I HN 0.593 nan 8.210 nan 0.000 0.585 1103 E N 3.742 123.939 120.200 -0.005 0.000 2.603 1103 E HA 0.241 4.591 4.350 0.001 0.000 0.211 1103 E C -0.665 175.932 176.600 -0.005 0.000 0.995 1103 E CA -0.100 56.298 56.400 -0.003 0.000 0.990 1103 E CB 0.671 30.371 29.700 0.000 0.000 1.036 1103 E HN 0.668 nan 8.360 nan 0.000 0.475 1104 Q N 0.696 120.490 119.800 -0.009 0.000 2.340 1104 Q HA 0.151 4.491 4.340 0.001 0.000 0.276 1104 Q C -1.503 174.488 176.000 -0.016 0.000 1.048 1104 Q CA -0.887 54.910 55.803 -0.010 0.000 0.832 1104 Q CB 2.058 30.791 28.738 -0.008 0.000 1.373 1104 Q HN 0.040 nan 8.270 nan 0.000 0.409 1105 D N 1.659 122.048 120.400 -0.017 0.000 2.667 1105 D HA -0.066 4.574 4.640 0.001 0.000 0.226 1105 D C -0.591 175.696 176.300 -0.021 0.000 1.137 1105 D CA 1.001 54.987 54.000 -0.023 0.000 0.855 1105 D CB 0.505 41.295 40.800 -0.018 0.000 1.194 1105 D HN 0.277 nan 8.370 nan 0.000 0.492 1106 L N 1.501 122.708 121.223 -0.027 0.000 2.334 1106 L HA 0.303 4.643 4.340 0.001 0.000 0.270 1106 L C 0.360 177.228 176.870 -0.004 0.000 1.018 1106 L CA -0.944 53.888 54.840 -0.013 0.000 0.811 1106 L CB 1.524 43.575 42.059 -0.013 0.000 1.271 1106 L HN 0.235 nan 8.230 nan 0.000 0.443 1107 E N 2.949 123.159 120.200 0.017 0.000 2.392 1107 E HA 0.188 4.539 4.350 0.001 0.000 0.264 1107 E C -2.346 174.283 176.600 0.050 0.000 1.024 1107 E CA -1.197 55.218 56.400 0.025 0.000 0.903 1107 E CB 0.697 30.415 29.700 0.030 0.000 0.963 1107 E HN 0.197 nan 8.360 nan 0.000 0.432 1108 P HA 0.150 nan 4.420 nan 0.000 0.271 1108 P C -1.123 176.194 177.300 0.030 0.000 1.216 1108 P CA 0.090 63.150 63.100 -0.068 0.000 0.776 1108 P CB 0.265 31.933 31.700 -0.054 0.000 0.881 1109 F N -1.248 118.669 119.950 -0.056 0.000 2.620 1109 F HA 0.621 5.149 4.527 0.001 0.000 0.320 1109 F C -0.085 175.709 175.800 -0.010 0.000 1.069 1109 F CA -1.484 56.493 58.000 -0.039 0.000 0.953 1109 F CB 1.087 40.050 39.000 -0.062 0.000 1.322 1109 F HN 0.163 nan 8.300 nan 0.000 0.479 1110 E N 0.862 121.207 120.200 0.242 0.000 2.371 1110 E HA 0.660 5.010 4.350 0.001 0.000 0.257 1110 E C -0.766 175.998 176.600 0.273 0.000 1.134 1110 E CA -0.652 55.850 56.400 0.171 0.000 0.919 1110 E CB 1.384 31.165 29.700 0.135 0.000 1.025 1110 E HN 0.907 nan 8.360 nan 0.000 0.438 1111 A N 0.963 123.910 122.820 0.211 0.000 2.597 1111 A HA 0.412 4.732 4.320 0.001 0.000 0.292 1111 A C -0.593 177.107 177.584 0.193 0.000 1.057 1111 A CA -0.731 51.454 52.037 0.247 0.000 0.674 1111 A CB 1.103 20.281 19.000 0.298 0.000 1.278 1111 A HN 0.580 nan 8.150 nan 0.000 0.416 1112 S N 0.464 116.254 115.700 0.150 0.000 2.600 1112 S HA 0.285 4.756 4.470 0.001 0.000 0.265 1112 S C 1.091 175.725 174.600 0.056 0.000 1.325 1112 S CA 0.538 58.803 58.200 0.107 0.000 1.002 1112 S CB 1.013 64.250 63.200 0.061 0.000 0.921 1112 S HN 1.016 nan 8.310 nan 0.000 0.554 1113 K N 0.928 121.349 120.400 0.035 0.000 2.032 1113 K HA -0.177 4.143 4.320 0.001 0.000 0.209 1113 K C 1.992 178.432 176.600 -0.266 0.000 1.048 1113 K CA 1.842 57.996 56.287 -0.222 0.000 0.927 1113 K CB -0.318 32.144 32.500 -0.063 0.000 0.712 1113 K HN 0.779 nan 8.250 nan 0.000 0.441 1114 E N 0.508 120.634 120.200 -0.122 0.000 2.021 1114 E HA -0.268 4.083 4.350 0.001 0.000 0.200 1114 E C 2.291 178.817 176.600 -0.123 0.000 1.015 1114 E CA 1.773 58.105 56.400 -0.115 0.000 0.824 1114 E CB -0.136 29.520 29.700 -0.073 0.000 0.762 1114 E HN 0.443 nan 8.360 nan 0.000 0.454 1115 Q N 0.102 119.856 119.800 -0.077 0.000 2.077 1115 Q HA -0.233 4.108 4.340 0.001 0.000 0.206 1115 Q C 2.239 178.243 176.000 0.006 0.000 0.989 1115 Q CA 1.526 57.282 55.803 -0.078 0.000 0.853 1115 Q CB -0.300 28.473 28.738 0.059 0.000 0.907 1115 Q HN 0.262 nan 8.270 nan 0.000 0.418 1116 A N 1.570 124.423 122.820 0.055 0.000 1.859 1116 A HA -0.297 4.023 4.320 0.001 0.000 0.217 1116 A C 1.900 179.478 177.584 -0.009 0.000 1.198 1116 A CA 1.962 54.039 52.037 0.066 0.000 0.629 1116 A CB -0.700 18.183 19.000 -0.196 0.000 0.830 1116 A HN 0.419 nan 8.150 nan 0.000 0.446 1117 E N -0.323 119.782 120.200 -0.157 0.000 2.070 1117 E HA -0.263 4.087 4.350 0.001 0.000 0.197 1117 E C 1.991 178.544 176.600 -0.079 0.000 1.004 1117 E CA 1.541 57.863 56.400 -0.131 0.000 0.805 1117 E CB -0.384 29.222 29.700 -0.157 0.000 0.744 1117 E HN 0.778 nan 8.360 nan 0.000 0.451 1118 E N 0.362 120.487 120.200 -0.125 0.000 2.049 1118 E HA -0.206 4.145 4.350 0.001 0.000 0.198 1118 E C 1.956 178.483 176.600 -0.121 0.000 1.007 1118 E CA 1.355 57.650 56.400 -0.175 0.000 0.809 1118 E CB -0.329 29.193 29.700 -0.296 0.000 0.749 1118 E HN 0.240 nan 8.360 nan 0.000 0.450 1119 F N 0.949 120.895 119.950 -0.007 0.000 2.095 1119 F HA -0.234 4.293 4.527 0.000 0.000 0.298 1119 F C 2.531 178.377 175.800 0.076 0.000 1.104 1119 F CA 1.142 59.185 58.000 0.071 0.000 1.232 1119 F CB -0.058 38.997 39.000 0.092 0.000 0.987 1119 F HN -0.079 nan 8.300 nan 0.000 0.475 1120 K N 0.971 121.492 120.400 0.202 0.000 2.097 1120 K HA -0.166 4.155 4.320 0.001 0.000 0.205 1120 K C 2.038 178.667 176.600 0.048 0.000 1.050 1120 K CA 1.203 57.546 56.287 0.094 0.000 0.938 1120 K CB -0.322 32.182 32.500 0.006 0.000 0.718 1120 K HN 0.033 nan 8.250 nan 0.000 0.442 1121 R N 0.008 120.513 120.500 0.007 0.000 2.120 1121 R HA -0.165 4.175 4.340 0.001 0.000 0.234 1121 R C 1.800 178.073 176.300 -0.045 0.000 1.123 1121 R CA 1.885 57.967 56.100 -0.029 0.000 0.975 1121 R CB -0.108 30.159 30.300 -0.056 0.000 0.866 1121 R HN 0.276 nan 8.270 nan 0.000 0.446 1122 E N -0.934 119.224 120.200 -0.070 0.000 2.140 1122 E HA -0.096 4.255 4.350 0.001 0.000 0.191 1122 E C 1.431 177.894 176.600 -0.227 0.000 0.973 1122 E CA 1.253 57.541 56.400 -0.188 0.000 0.829 1122 E CB 0.122 29.638 29.700 -0.306 0.000 0.781 1122 E HN 0.453 nan 8.360 nan 0.000 0.466 1123 H N -1.000 118.096 119.070 0.045 0.000 2.476 1123 H HA 0.256 4.812 4.556 0.001 0.000 0.292 1123 H C 1.602 176.937 175.328 0.011 0.000 1.019 1123 H CA 0.876 56.944 56.048 0.033 0.000 1.330 1123 H CB 0.206 29.994 29.762 0.043 0.000 1.451 1123 H HN 0.305 nan 8.280 nan 0.000 0.535 1124 G N 2.387 111.258 108.800 0.119 0.000 3.024 1124 G HA2 -0.442 3.519 3.960 0.001 0.000 0.339 1124 G HA3 -0.442 3.519 3.960 0.001 0.000 0.339 1124 G C 1.080 176.002 174.900 0.038 0.000 1.200 1124 G CA 0.970 46.100 45.100 0.051 0.000 0.968 1124 G HN 0.398 nan 8.290 nan 0.000 0.593 1125 D N 0.889 121.310 120.400 0.036 0.000 2.190 1125 D HA -0.026 4.614 4.640 0.001 0.000 0.200 1125 D C 2.230 178.541 176.300 0.018 0.000 0.992 1125 D CA 1.558 55.572 54.000 0.023 0.000 0.854 1125 D CB -0.104 40.711 40.800 0.025 0.000 0.936 1125 D HN 0.368 nan 8.370 nan 0.000 0.462 1126 K N -0.460 119.963 120.400 0.039 0.000 2.387 1126 K HA 0.213 4.533 4.320 0.001 0.000 0.198 1126 K C -0.521 176.050 176.600 -0.048 0.000 1.022 1126 K CA -0.073 56.218 56.287 0.006 0.000 1.128 1126 K CB 1.064 33.581 32.500 0.029 0.000 0.853 1126 K HN -0.108 nan 8.250 nan 0.000 0.523 1127 V N 0.411 120.308 119.914 -0.028 0.000 2.925 1127 V HA 0.344 4.465 4.120 0.001 0.000 0.311 1127 V C -0.968 175.054 176.094 -0.121 0.000 1.104 1127 V CA -1.064 61.184 62.300 -0.087 0.000 0.954 1127 V CB 2.553 34.346 31.823 -0.051 0.000 1.022 1127 V HN 0.036 nan 8.190 nan 0.000 0.427 1128 E N 4.082 124.167 120.200 -0.192 0.000 2.199 1128 E HA 0.656 5.006 4.350 0.001 0.000 0.265 1128 E C -1.145 175.185 176.600 -0.450 0.000 0.882 1128 E CA -0.515 55.684 56.400 -0.334 0.000 0.759 1128 E CB 2.535 32.089 29.700 -0.243 0.000 1.148 1128 E HN 0.688 nan 8.360 nan 0.000 0.412 1129 I N -0.645 119.583 120.570 -0.569 0.000 2.569 1129 I HA 0.660 4.831 4.170 0.001 0.000 0.296 1129 I C -1.094 174.685 176.117 -0.563 0.000 1.028 1129 I CA -0.948 60.116 61.300 -0.393 0.000 1.082 1129 I CB 1.104 39.037 38.000 -0.111 0.000 1.264 1129 I HN 0.268 nan 8.210 nan 0.000 0.429 1130 F N 1.854 121.880 119.950 0.127 0.000 2.588 1130 F HA 0.452 4.979 4.527 0.000 0.000 0.310 1130 F C 0.340 175.950 175.800 -0.316 0.000 1.082 1130 F CA -0.765 57.230 58.000 -0.008 0.000 0.929 1130 F CB 1.746 40.710 39.000 -0.059 0.000 1.254 1130 F HN 0.534 nan 8.300 nan 0.000 0.455 1131 E N 1.750 121.711 120.200 -0.399 0.000 2.415 1131 E HA 0.226 4.577 4.350 0.001 0.000 0.262 1131 E C -0.646 175.745 176.600 -0.349 0.000 1.038 1131 E CA 0.022 55.926 56.400 -0.825 0.000 0.921 1131 E CB 0.859 30.233 29.700 -0.545 0.000 0.950 1131 E HN 0.436 nan 8.360 nan 0.000 0.438 1132 I N 5.362 125.747 120.570 -0.307 0.000 2.297 1132 I HA 0.077 4.248 4.170 0.001 0.000 0.291 1132 I C -1.631 174.411 176.117 -0.125 0.000 1.033 1132 I CA -1.972 59.241 61.300 -0.144 0.000 1.253 1132 I CB 1.136 39.088 38.000 -0.081 0.000 1.396 1132 I HN 0.316 nan 8.210 nan 0.000 0.476 1133 P HA -0.182 nan 4.420 nan 0.000 0.217 1133 P C 0.745 178.015 177.300 -0.051 0.000 1.148 1133 P CA 1.490 64.545 63.100 -0.075 0.000 0.828 1133 P CB 0.308 31.971 31.700 -0.062 0.000 0.783 1134 E N -0.985 119.189 120.200 -0.044 0.000 2.024 1134 E HA -0.062 4.288 4.350 0.001 0.000 0.190 1134 E C 1.832 178.422 176.600 -0.017 0.000 0.974 1134 E CA 1.634 58.019 56.400 -0.026 0.000 0.810 1134 E CB -1.059 28.627 29.700 -0.023 0.000 0.775 1134 E HN 0.252 nan 8.360 nan 0.000 0.453 1135 T N -2.294 112.250 114.554 -0.016 0.000 3.129 1135 T HA 0.273 4.623 4.350 0.001 0.000 0.251 1135 T C 1.589 176.295 174.700 0.010 0.000 1.117 1135 T CA 0.304 62.404 62.100 0.001 0.000 1.034 1135 T CB 0.380 69.253 68.868 0.009 0.000 0.968 1135 T HN 0.406 nan 8.240 nan 0.000 0.526 1136 G N 0.842 109.637 108.800 -0.009 0.000 2.189 1136 G HA2 -0.266 3.695 3.960 0.001 0.000 0.267 1136 G HA3 -0.266 3.695 3.960 0.001 0.000 0.267 1136 G C 0.240 175.174 174.900 0.056 0.000 0.975 1136 G CA 0.288 45.395 45.100 0.011 0.000 0.644 1136 G HN 0.588 nan 8.290 nan 0.000 0.537 1137 Q N -1.003 118.823 119.800 0.042 0.000 2.370 1137 Q HA 0.688 5.029 4.340 0.001 0.000 0.186 1137 Q C 0.141 176.201 176.000 0.100 0.000 1.093 1137 Q CA 0.010 55.889 55.803 0.127 0.000 1.142 1137 Q CB 0.334 29.127 28.738 0.092 0.000 1.175 1137 Q HN 0.491 nan 8.270 nan 0.000 0.625 1138 Y N -1.372 118.946 120.300 0.030 0.000 2.698 1138 Y HA 0.428 4.978 4.550 0.000 0.000 0.332 1138 Y C -0.167 175.721 175.900 -0.020 0.000 1.119 1138 Y CA -0.742 57.368 58.100 0.015 0.000 1.109 1138 Y CB 2.250 40.714 38.460 0.007 0.000 1.308 1138 Y HN 0.542 nan 8.280 nan 0.000 0.499 1139 T N -0.834 113.786 114.554 0.110 0.000 2.881 1139 T HA 0.722 5.072 4.350 0.001 0.000 0.290 1139 T C -1.718 172.857 174.700 -0.207 0.000 1.000 1139 T CA -0.704 61.364 62.100 -0.054 0.000 0.978 1139 T CB 0.827 69.698 68.868 0.004 0.000 0.997 1139 T HN 0.358 nan 8.240 nan 0.000 0.443 1140 V N 3.607 123.191 119.914 -0.550 0.000 2.448 1140 V HA 0.684 4.805 4.120 0.001 0.000 0.295 1140 V C 0.107 175.781 176.094 -0.699 0.000 1.025 1140 V CA -0.927 60.916 62.300 -0.762 0.000 0.859 1140 V CB 1.484 32.550 31.823 -1.263 0.000 0.988 1140 V HN 0.998 nan 8.190 nan 0.000 0.431 1141 R N 3.984 124.247 120.500 -0.396 0.000 2.473 1141 R HA 0.606 4.946 4.340 0.001 0.000 0.303 1141 R C -1.750 174.429 176.300 -0.202 0.000 1.002 1141 R CA -0.785 55.171 56.100 -0.239 0.000 0.884 1141 R CB 1.296 31.521 30.300 -0.124 0.000 1.173 1141 R HN 0.632 nan 8.270 nan 0.000 0.464 1142 L N 4.806 125.922 121.223 -0.177 0.000 2.278 1142 L HA 0.410 4.750 4.340 0.001 0.000 0.287 1142 L C 0.862 177.661 176.870 -0.118 0.000 1.072 1142 L CA 0.036 54.765 54.840 -0.185 0.000 0.819 1142 L CB 0.601 42.529 42.059 -0.218 0.000 1.176 1142 L HN 0.384 nan 8.230 nan 0.000 0.435 1143 R N 1.863 122.303 120.500 -0.100 0.000 2.649 1143 R HA 0.216 4.557 4.340 0.001 0.000 0.270 1143 R C 0.257 176.528 176.300 -0.049 0.000 1.105 1143 R CA -0.942 55.123 56.100 -0.058 0.000 1.193 1143 R CB 0.616 30.894 30.300 -0.038 0.000 1.120 1143 R HN 0.515 nan 8.270 nan 0.000 0.561 1144 K N 0.313 120.696 120.400 -0.029 0.000 2.511 1144 K HA -0.090 4.230 4.320 0.001 0.000 0.280 1144 K C 0.609 177.202 176.600 -0.012 0.000 1.008 1144 K CA 1.278 57.554 56.287 -0.019 0.000 1.050 1144 K CB 0.096 32.590 32.500 -0.010 0.000 0.889 1144 K HN 0.773 nan 8.250 nan 0.000 0.484 1145 G N 2.052 110.848 108.800 -0.007 0.000 2.307 1145 G HA2 -0.239 3.721 3.960 0.001 0.000 0.210 1145 G HA3 -0.239 3.721 3.960 0.001 0.000 0.210 1145 G C 0.176 175.084 174.900 0.014 0.000 1.005 1145 G CA -0.062 45.042 45.100 0.007 0.000 0.634 1145 G HN 1.006 nan 8.290 nan 0.000 0.496 1146 A N 0.676 123.486 122.820 -0.017 0.000 2.520 1146 A HA 0.535 4.855 4.320 0.001 0.000 0.235 1146 A C 0.673 178.264 177.584 0.012 0.000 1.065 1146 A CA 1.696 53.707 52.037 -0.043 0.000 0.764 1146 A CB 0.081 18.967 19.000 -0.190 0.000 1.002 1146 A HN 1.055 nan 8.150 nan 0.000 0.502 1147 T N 2.807 117.418 114.554 0.096 0.000 2.779 1147 T HA 0.590 4.941 4.350 0.001 0.000 0.280 1147 T C -0.170 174.604 174.700 0.124 0.000 0.987 1147 T CA -0.262 61.904 62.100 0.111 0.000 0.966 1147 T CB 0.682 69.629 68.868 0.131 0.000 0.933 1147 T HN 0.470 nan 8.240 nan 0.000 0.442 1148 L N 2.576 123.842 121.223 0.070 0.000 2.279 1148 L HA 0.655 4.995 4.340 0.001 0.000 0.262 1148 L C -0.860 176.042 176.870 0.053 0.000 1.019 1148 L CA -1.327 53.548 54.840 0.059 0.000 0.823 1148 L CB 1.899 43.970 42.059 0.021 0.000 1.358 1148 L HN 0.403 nan 8.230 nan 0.000 0.432 1149 L N 2.703 123.953 121.223 0.045 0.000 2.343 1149 L HA 0.528 4.868 4.340 0.001 0.000 0.278 1149 L C -0.851 176.029 176.870 0.017 0.000 0.996 1149 L CA -0.362 54.500 54.840 0.037 0.000 0.831 1149 L CB 1.913 44.001 42.059 0.048 0.000 1.232 1149 L HN 0.418 nan 8.230 nan 0.000 0.413 1150 I N 4.704 125.282 120.570 0.012 0.000 2.354 1150 I HA 0.381 4.551 4.170 0.001 0.000 0.292 1150 I C -2.200 173.918 176.117 0.001 0.000 0.989 1150 I CA -2.135 59.166 61.300 0.003 0.000 1.188 1150 I CB 1.968 39.968 38.000 0.001 0.000 1.342 1150 I HN 0.265 nan 8.210 nan 0.000 0.457 1151 P HA 0.184 nan 4.420 nan 0.000 0.271 1151 P C -1.259 176.037 177.300 -0.006 0.000 1.218 1151 P CA -0.266 62.831 63.100 -0.005 0.000 0.780 1151 P CB 0.534 32.230 31.700 -0.007 0.000 0.901 1152 K N 0.610 121.005 120.400 -0.009 0.000 2.469 1152 K HA 0.921 5.242 4.320 0.001 0.000 0.268 1152 K C -1.612 174.983 176.600 -0.009 0.000 1.027 1152 K CA -1.294 54.989 56.287 -0.007 0.000 0.893 1152 K CB 1.853 34.350 32.500 -0.004 0.000 1.460 1152 K HN 0.290 nan 8.250 nan 0.000 0.449 1153 A N 1.256 124.075 122.820 -0.003 0.000 2.435 1153 A HA 0.714 5.034 4.320 0.001 0.000 0.304 1153 A C -1.272 176.320 177.584 0.013 0.000 1.064 1153 A CA -0.937 51.101 52.037 0.000 0.000 0.727 1153 A CB 1.218 20.218 19.000 0.000 0.000 1.284 1153 A HN 0.585 nan 8.150 nan 0.000 0.415 1154 L N 0.742 121.981 121.223 0.026 0.000 2.333 1154 L HA 0.467 4.807 4.340 0.001 0.000 0.269 1154 L C -0.083 176.837 176.870 0.083 0.000 1.010 1154 L CA -0.589 54.287 54.840 0.060 0.000 0.818 1154 L CB 2.156 44.267 42.059 0.087 0.000 1.306 1154 L HN 0.824 nan 8.230 nan 0.000 0.430 1155 Q N 1.723 121.580 119.800 0.095 0.000 2.421 1155 Q HA 0.291 4.631 4.340 0.001 0.000 0.242 1155 Q C -1.041 175.078 176.000 0.199 0.000 1.024 1155 Q CA -0.421 55.444 55.803 0.103 0.000 0.891 1155 Q CB 1.137 29.902 28.738 0.045 0.000 1.222 1155 Q HN 0.260 nan 8.270 nan 0.000 0.483 1156 F N 2.000 121.965 119.950 0.026 0.000 2.370 1156 F HA 0.162 4.690 4.527 0.001 0.000 0.324 1156 F C 0.810 176.619 175.800 0.015 0.000 1.116 1156 F CA -0.622 57.407 58.000 0.049 0.000 1.123 1156 F CB 1.161 40.236 39.000 0.126 0.000 1.238 1156 F HN 0.522 nan 8.300 nan 0.000 0.536 1157 D N 1.338 121.426 120.400 -0.520 0.000 2.197 1157 D HA -0.029 4.611 4.640 0.001 0.000 0.212 1157 D C 0.534 176.584 176.300 -0.416 0.000 0.963 1157 D CA 0.850 54.609 54.000 -0.402 0.000 0.864 1157 D CB -0.078 40.500 40.800 -0.370 0.000 1.009 1157 D HN 0.298 nan 8.370 nan 0.000 0.479 1158 R N 1.870 121.933 120.500 -0.729 0.000 2.606 1158 R HA 0.108 4.448 4.340 0.001 0.000 0.276 1158 R C 0.567 176.809 176.300 -0.096 0.000 1.416 1158 R CA 0.063 55.957 56.100 -0.342 0.000 1.064 1158 R CB -0.495 29.626 30.300 -0.297 0.000 1.117 1158 R HN 0.207 nan 8.270 nan 0.000 0.543 1159 L N 0.992 122.197 121.223 -0.029 0.000 2.554 1159 L HA 0.090 4.430 4.340 0.001 0.000 0.225 1159 L C 0.507 177.409 176.870 0.054 0.000 1.104 1159 L CA 0.314 55.169 54.840 0.026 0.000 0.866 1159 L CB 0.206 42.273 42.059 0.013 0.000 1.047 1159 L HN 0.107 nan 8.230 nan 0.000 0.468 1160 V N -0.930 119.010 119.914 0.043 0.000 2.513 1160 V HA 0.917 5.038 4.120 0.001 0.000 0.299 1160 V C -0.064 175.978 176.094 -0.087 0.000 1.035 1160 V CA -0.875 61.426 62.300 0.003 0.000 0.889 1160 V CB 1.144 32.972 31.823 0.008 0.000 0.988 1160 V HN 0.049 nan 8.190 nan 0.000 0.440 1161 A N 2.553 125.275 122.820 -0.164 0.000 2.589 1161 A HA 0.813 5.134 4.320 0.001 0.000 0.296 1161 A C -0.081 177.365 177.584 -0.229 0.000 1.062 1161 A CA -0.138 51.712 52.037 -0.311 0.000 0.686 1161 A CB 1.535 20.018 19.000 -0.862 0.000 1.282 1161 A HN 1.441 nan 8.150 nan 0.000 0.404 1162 G N 0.859 109.567 108.800 -0.155 0.000 2.372 1162 G HA2 0.504 4.464 3.960 0.001 0.000 0.286 1162 G HA3 0.504 4.464 3.960 0.001 0.000 0.286 1162 G C -0.343 174.513 174.900 -0.072 0.000 1.153 1162 G CA -0.053 45.000 45.100 -0.079 0.000 0.985 1162 G HN 0.725 nan 8.290 nan 0.000 0.429 1163 Q N 1.892 121.645 119.800 -0.080 0.000 2.375 1163 Q HA 0.416 4.756 4.340 0.001 0.000 0.271 1163 Q C -0.482 175.466 176.000 -0.087 0.000 1.074 1163 Q CA -1.141 54.656 55.803 -0.010 0.000 0.808 1163 Q CB 2.451 31.251 28.738 0.103 0.000 1.327 1163 Q HN 0.427 nan 8.270 nan 0.000 0.441 1164 I N 3.207 123.705 120.570 -0.120 0.000 2.996 1164 I HA -0.096 4.074 4.170 0.001 0.000 0.311 1164 I C -2.063 173.994 176.117 -0.101 0.000 1.219 1164 I CA -0.714 60.465 61.300 -0.202 0.000 1.452 1164 I CB -0.301 37.498 38.000 -0.336 0.000 1.319 1164 I HN 0.439 nan 8.210 nan 0.000 0.564 1165 P HA -0.055 nan 4.420 nan 0.000 0.263 1165 P C -0.541 176.798 177.300 0.065 0.000 1.175 1165 P CA 0.213 63.306 63.100 -0.011 0.000 0.761 1165 P CB 0.116 31.833 31.700 0.029 0.000 0.794 1166 T N 3.323 117.925 114.554 0.080 0.000 2.825 1166 T HA 0.360 4.711 4.350 0.001 0.000 0.270 1166 T C 1.281 175.997 174.700 0.026 0.000 0.919 1166 T CA 1.143 63.284 62.100 0.069 0.000 1.159 1166 T CB -0.841 68.074 68.868 0.079 0.000 0.889 1166 T HN 0.743 nan 8.240 nan 0.000 0.565 1167 G N 3.053 111.869 108.800 0.027 0.000 2.672 1167 G HA2 -0.150 3.810 3.960 0.001 0.000 0.197 1167 G HA3 -0.150 3.810 3.960 0.001 0.000 0.197 1167 G C 0.019 174.901 174.900 -0.030 0.000 0.995 1167 G CA -0.957 44.110 45.100 -0.054 0.000 0.754 1167 G HN 0.646 nan 8.290 nan 0.000 0.505 1168 W N 2.497 123.737 121.300 -0.100 0.000 2.295 1168 W HA 0.484 5.144 4.660 0.001 0.000 0.335 1168 W C -0.401 176.087 176.519 -0.052 0.000 1.351 1168 W CA 1.344 58.648 57.345 -0.067 0.000 1.273 1168 W CB 0.687 30.167 29.460 0.034 0.000 1.214 1168 W HN 0.114 nan 8.180 nan 0.000 0.563 1169 D N 3.602 123.544 120.400 -0.763 0.000 2.990 1169 D HA 0.334 4.975 4.640 0.001 0.000 0.227 1169 D C 0.632 176.341 176.300 -0.985 0.000 1.249 1169 D CA 0.022 53.612 54.000 -0.683 0.000 0.891 1169 D CB 1.827 42.390 40.800 -0.396 0.000 1.647 1169 D HN 0.407 nan 8.370 nan 0.000 0.530 1170 A N 3.626 125.965 122.820 -0.802 0.000 2.084 1170 A HA -0.187 4.133 4.320 0.001 0.000 0.221 1170 A C 1.930 179.320 177.584 -0.323 0.000 1.161 1170 A CA 1.309 53.059 52.037 -0.479 0.000 0.653 1170 A CB -0.263 18.582 19.000 -0.258 0.000 0.802 1170 A HN 0.641 nan 8.150 nan 0.000 0.457 1171 R N -0.932 119.366 120.500 -0.337 0.000 2.120 1171 R HA -0.064 4.276 4.340 0.001 0.000 0.234 1171 R C 2.400 178.542 176.300 -0.263 0.000 1.123 1171 R CA 1.350 57.296 56.100 -0.256 0.000 0.975 1171 R CB -0.204 29.959 30.300 -0.229 0.000 0.866 1171 R HN 0.525 nan 8.270 nan 0.000 0.446 1172 R N -0.690 119.552 120.500 -0.430 0.000 2.075 1172 R HA -0.126 4.215 4.340 0.001 0.000 0.232 1172 R C 1.790 177.917 176.300 -0.289 0.000 1.126 1172 R CA 1.479 57.268 56.100 -0.518 0.000 0.963 1172 R CB -0.243 29.450 30.300 -1.013 0.000 0.858 1172 R HN 0.324 nan 8.270 nan 0.000 0.435 1173 Y N -0.608 119.619 120.300 -0.121 0.000 2.497 1173 Y HA -0.071 4.480 4.550 0.001 0.000 0.292 1173 Y C 1.692 177.645 175.900 0.088 0.000 1.137 1173 Y CA 0.831 58.983 58.100 0.086 0.000 1.285 1173 Y CB 0.273 38.784 38.460 0.086 0.000 0.991 1173 Y HN 0.383 nan 8.280 nan 0.000 0.556 1174 G N -0.707 108.157 108.800 0.106 0.000 2.168 1174 G HA2 -0.241 3.719 3.960 0.001 0.000 0.197 1174 G HA3 -0.241 3.719 3.960 0.001 0.000 0.197 1174 G C -0.106 174.833 174.900 0.064 0.000 0.997 1174 G CA -0.140 45.025 45.100 0.110 0.000 0.658 1174 G HN 0.070 nan 8.290 nan 0.000 0.513 1175 V N 1.942 121.760 119.914 -0.160 0.000 2.694 1175 V HA 0.281 4.401 4.120 0.001 0.000 0.306 1175 V C -1.190 174.796 176.094 -0.182 0.000 1.054 1175 V CA -0.445 61.608 62.300 -0.411 0.000 1.161 1175 V CB 0.696 32.161 31.823 -0.597 0.000 0.916 1175 V HN 0.196 nan 8.190 nan 0.000 0.490 1176 P HA 0.112 nan 4.420 nan 0.000 0.271 1176 P C 0.633 177.876 177.300 -0.096 0.000 1.216 1176 P CA -0.116 62.952 63.100 -0.053 0.000 0.771 1176 P CB 0.749 32.448 31.700 -0.002 0.000 0.864 1177 E N 3.510 123.667 120.200 -0.073 0.000 2.048 1177 E HA -0.286 4.065 4.350 0.001 0.000 0.202 1177 E C 1.272 177.819 176.600 -0.088 0.000 1.021 1177 E CA 2.283 58.634 56.400 -0.082 0.000 0.825 1177 E CB -0.689 28.976 29.700 -0.058 0.000 0.756 1177 E HN 0.538 nan 8.360 nan 0.000 0.454 1178 D N 0.517 120.878 120.400 -0.065 0.000 2.116 1178 D HA -0.229 4.412 4.640 0.001 0.000 0.193 1178 D C 2.072 178.303 176.300 -0.115 0.000 0.998 1178 D CA 1.342 55.303 54.000 -0.064 0.000 0.836 1178 D CB -0.549 40.234 40.800 -0.028 0.000 0.951 1178 D HN 0.290 nan 8.370 nan 0.000 0.449 1179 I N 1.008 121.487 120.570 -0.151 0.000 2.361 1179 I HA -0.196 3.974 4.170 0.001 0.000 0.251 1179 I C 2.560 178.495 176.117 -0.303 0.000 1.133 1179 I CA 0.576 61.708 61.300 -0.280 0.000 1.413 1179 I CB -0.479 37.348 38.000 -0.288 0.000 1.073 1179 I HN 0.058 nan 8.210 nan 0.000 0.424 1180 I N 0.565 121.000 120.570 -0.226 0.000 2.226 1180 I HA -0.268 3.903 4.170 0.001 0.000 0.245 1180 I C 2.429 178.441 176.117 -0.175 0.000 1.100 1180 I CA 1.476 62.652 61.300 -0.206 0.000 1.374 1180 I CB -1.034 36.866 38.000 -0.167 0.000 1.057 1180 I HN 0.370 nan 8.210 nan 0.000 0.413 1181 Q N -0.050 119.665 119.800 -0.141 0.000 2.389 1181 Q HA -0.169 4.171 4.340 0.001 0.000 0.204 1181 Q C 2.019 177.959 176.000 -0.100 0.000 0.944 1181 Q CA 0.752 56.493 55.803 -0.103 0.000 0.908 1181 Q CB 0.002 28.697 28.738 -0.073 0.000 1.002 1181 Q HN 0.552 nan 8.270 nan 0.000 0.493 1182 Q N 0.261 119.975 119.800 -0.143 0.000 2.376 1182 Q HA 0.044 4.384 4.340 0.001 0.000 0.206 1182 Q C 0.186 176.101 176.000 -0.143 0.000 0.921 1182 Q CA 0.351 56.085 55.803 -0.117 0.000 0.911 1182 Q CB 0.753 29.422 28.738 -0.115 0.000 1.032 1182 Q HN 0.019 nan 8.270 nan 0.000 0.510 1183 V N 0.473 120.237 119.914 -0.250 0.000 3.019 1183 V HA 0.310 4.431 4.120 0.001 0.000 0.317 1183 V C -0.169 175.824 176.094 -0.168 0.000 1.094 1183 V CA -1.194 60.953 62.300 -0.254 0.000 1.000 1183 V CB 1.543 33.033 31.823 -0.555 0.000 1.060 1183 V HN 0.113 nan 8.190 nan 0.000 0.443 1184 D N 1.809 122.142 120.400 -0.111 0.000 2.424 1184 D HA 0.138 4.778 4.640 0.001 0.000 0.244 1184 D C -1.648 174.538 176.300 -0.190 0.000 1.134 1184 D CA -1.309 52.632 54.000 -0.098 0.000 0.881 1184 D CB 2.034 42.815 40.800 -0.033 0.000 1.191 1184 D HN 0.195 nan 8.370 nan 0.000 0.445 1185 P HA -0.204 nan 4.420 nan 0.000 0.217 1185 P C 1.702 178.615 177.300 -0.645 0.000 1.158 1185 P CA 0.656 63.520 63.100 -0.393 0.000 0.887 1185 P CB 0.225 31.746 31.700 -0.298 0.000 0.792 1186 V N -0.597 119.084 119.914 -0.388 0.000 2.278 1186 V HA -0.331 3.790 4.120 0.001 0.000 0.251 1186 V C 2.329 178.209 176.094 -0.356 0.000 1.062 1186 V CA 2.751 64.892 62.300 -0.264 0.000 1.038 1186 V CB -1.591 30.194 31.823 -0.064 0.000 0.646 1186 V HN 0.230 nan 8.190 nan 0.000 0.447 1187 T N -0.032 114.332 114.554 -0.316 0.000 2.759 1187 T HA -0.165 4.186 4.350 0.001 0.000 0.269 1187 T C 1.805 176.381 174.700 -0.206 0.000 1.042 1187 T CA 1.574 63.517 62.100 -0.260 0.000 1.140 1187 T CB -0.257 68.489 68.868 -0.203 0.000 0.864 1187 T HN 0.318 nan 8.240 nan 0.000 0.455 1188 L N -0.325 120.744 121.223 -0.256 0.000 2.012 1188 L HA -0.139 4.202 4.340 0.001 0.000 0.210 1188 L C 2.359 179.288 176.870 0.099 0.000 1.073 1188 L CA 1.821 56.577 54.840 -0.141 0.000 0.748 1188 L CB -0.742 41.221 42.059 -0.160 0.000 0.891 1188 L HN 0.450 nan 8.230 nan 0.000 0.431 1189 Y N -1.170 119.194 120.300 0.106 0.000 2.224 1189 Y HA -0.224 4.327 4.550 0.001 0.000 0.289 1189 Y C 2.608 178.551 175.900 0.071 0.000 1.146 1189 Y CA 0.457 58.596 58.100 0.065 0.000 1.182 1189 Y CB -0.387 38.053 38.460 -0.033 0.000 0.983 1189 Y HN -0.071 nan 8.280 nan 0.000 0.524 1190 V N 0.205 120.197 119.914 0.130 0.000 2.379 1190 V HA -0.253 3.867 4.120 0.001 0.000 0.245 1190 V C 2.232 178.422 176.094 0.160 0.000 1.044 1190 V CA 1.331 63.695 62.300 0.106 0.000 1.036 1190 V CB -0.525 31.257 31.823 -0.068 0.000 0.664 1190 V HN 0.394 nan 8.190 nan 0.000 0.453 1191 L N -0.599 120.707 121.223 0.137 0.000 1.970 1191 L HA -0.182 4.159 4.340 0.001 0.000 0.212 1191 L C 2.525 179.584 176.870 0.316 0.000 1.071 1191 L CA 1.498 56.481 54.840 0.239 0.000 0.751 1191 L CB -0.600 41.497 42.059 0.063 0.000 0.889 1191 L HN 0.176 nan 8.230 nan 0.000 0.432 1192 V N -0.739 119.296 119.914 0.202 0.000 2.287 1192 V HA -0.346 3.774 4.120 0.001 0.000 0.248 1192 V C 2.724 178.905 176.094 0.146 0.000 1.053 1192 V CA 2.028 64.423 62.300 0.158 0.000 1.027 1192 V CB -0.399 31.496 31.823 0.121 0.000 0.646 1192 V HN 0.551 nan 8.190 nan 0.000 0.447 1193 S N -0.273 115.533 115.700 0.177 0.000 2.378 1193 S HA -0.229 4.241 4.470 0.001 0.000 0.221 1193 S C 1.998 176.704 174.600 0.178 0.000 1.037 1193 S CA 2.330 60.630 58.200 0.167 0.000 1.069 1193 S CB -0.505 62.812 63.200 0.194 0.000 1.006 1193 S HN 0.281 nan 8.310 nan 0.000 0.423 1194 V N 2.186 122.219 119.914 0.199 0.000 2.546 1194 V HA -0.199 3.922 4.120 0.001 0.000 0.254 1194 V C 2.755 178.960 176.094 0.185 0.000 1.076 1194 V CA 1.878 64.292 62.300 0.190 0.000 1.087 1194 V CB -1.358 30.583 31.823 0.196 0.000 0.674 1194 V HN 0.671 nan 8.190 nan 0.000 0.470 1195 A N -1.076 121.874 122.820 0.216 0.000 1.930 1195 A HA -0.148 4.172 4.320 0.001 0.000 0.215 1195 A C 2.195 179.891 177.584 0.188 0.000 1.176 1195 A CA 1.375 53.522 52.037 0.183 0.000 0.632 1195 A CB -0.313 18.860 19.000 0.288 0.000 0.819 1195 A HN 0.568 nan 8.150 nan 0.000 0.445 1196 E N -0.535 119.778 120.200 0.188 0.000 2.299 1196 E HA 0.077 4.427 4.350 0.001 0.000 0.193 1196 E C 2.016 178.746 176.600 0.217 0.000 0.998 1196 E CA 0.522 57.052 56.400 0.217 0.000 0.851 1196 E CB -0.068 29.748 29.700 0.192 0.000 0.795 1196 E HN 0.596 nan 8.360 nan 0.000 0.492 1197 A N 0.620 123.546 122.820 0.176 0.000 2.067 1197 A HA -0.043 4.278 4.320 0.001 0.000 0.217 1197 A C 1.991 179.676 177.584 0.168 0.000 1.156 1197 A CA 0.514 52.641 52.037 0.150 0.000 0.683 1197 A CB -0.178 18.899 19.000 0.127 0.000 0.808 1197 A HN 0.154 nan 8.150 nan 0.000 0.455 1198 L N -1.077 120.255 121.223 0.183 0.000 2.179 1198 L HA -0.028 4.313 4.340 0.001 0.000 0.208 1198 L C 2.493 179.471 176.870 0.181 0.000 1.096 1198 L CA 0.852 55.803 54.840 0.185 0.000 0.779 1198 L CB -0.361 41.803 42.059 0.174 0.000 0.922 1198 L HN 0.465 nan 8.230 nan 0.000 0.443 1199 L N -0.062 121.293 121.223 0.220 0.000 2.072 1199 L HA -0.161 4.180 4.340 0.001 0.000 0.205 1199 L C 2.601 179.638 176.870 0.278 0.000 1.079 1199 L CA 1.331 56.304 54.840 0.222 0.000 0.752 1199 L CB -0.056 42.158 42.059 0.259 0.000 0.906 1199 L HN 0.314 nan 8.230 nan 0.000 0.436 1200 S N -2.571 113.380 115.700 0.418 0.000 2.653 1200 S HA -0.090 4.380 4.470 0.001 0.000 0.233 1200 S C 1.343 176.171 174.600 0.381 0.000 0.970 1200 S CA 0.804 59.338 58.200 0.556 0.000 0.947 1200 S CB -0.040 63.356 63.200 0.327 0.000 0.771 1200 S HN 0.370 nan 8.310 nan 0.000 0.538 1201 S N -0.709 115.132 115.700 0.235 0.000 3.009 1201 S HA 0.495 4.966 4.470 0.001 0.000 0.254 1201 S C 1.125 175.742 174.600 0.027 0.000 1.004 1201 S CA 0.327 58.572 58.200 0.076 0.000 1.119 1201 S CB -0.374 62.898 63.200 0.120 0.000 1.075 1201 S HN 1.180 nan 8.310 nan 0.000 0.618 1202 G N 1.794 110.695 108.800 0.168 0.000 2.189 1202 G HA2 -0.214 3.746 3.960 0.001 0.000 0.267 1202 G HA3 -0.214 3.746 3.960 0.001 0.000 0.267 1202 G C 0.055 174.974 174.900 0.032 0.000 0.975 1202 G CA 0.408 45.626 45.100 0.197 0.000 0.644 1202 G HN 0.535 nan 8.290 nan 0.000 0.537 1203 I N 1.944 122.502 120.570 -0.020 0.000 2.379 1203 I HA 0.236 4.407 4.170 0.001 0.000 0.290 1203 I C 1.467 177.550 176.117 -0.056 0.000 1.063 1203 I CA 0.509 61.736 61.300 -0.122 0.000 1.351 1203 I CB 0.612 38.495 38.000 -0.196 0.000 1.410 1203 I HN 0.025 nan 8.210 nan 0.000 0.505 1204 T N 3.452 117.921 114.554 -0.142 0.000 2.904 1204 T HA -0.029 4.321 4.350 0.001 0.000 0.243 1204 T C 0.540 175.101 174.700 -0.233 0.000 1.024 1204 T CA 0.720 62.664 62.100 -0.260 0.000 1.158 1204 T CB 0.104 68.642 68.868 -0.549 0.000 0.867 1204 T HN 0.552 nan 8.240 nan 0.000 0.429 1205 D N 1.464 121.730 120.400 -0.223 0.000 2.274 1205 D HA 0.245 4.885 4.640 0.001 0.000 0.239 1205 D C -2.044 174.180 176.300 -0.126 0.000 1.104 1205 D CA -2.529 51.363 54.000 -0.181 0.000 0.840 1205 D CB 1.876 42.591 40.800 -0.143 0.000 1.100 1205 D HN -0.013 nan 8.370 nan 0.000 0.477 1206 P HA -0.094 nan 4.420 nan 0.000 0.226 1206 P C 0.854 178.259 177.300 0.175 0.000 1.153 1206 P CA 0.600 63.747 63.100 0.078 0.000 0.777 1206 P CB 0.056 31.827 31.700 0.119 0.000 0.794 1207 Y N 0.525 120.867 120.300 0.070 0.000 2.403 1207 Y HA -0.146 4.405 4.550 0.001 0.000 0.291 1207 Y C 2.347 178.241 175.900 -0.010 0.000 1.143 1207 Y CA 0.195 58.387 58.100 0.154 0.000 1.257 1207 Y CB -1.241 37.294 38.460 0.125 0.000 0.984 1207 Y HN 0.169 nan 8.280 nan 0.000 0.550 1208 E N -0.188 120.036 120.200 0.041 0.000 2.171 1208 E HA -0.245 4.105 4.350 0.001 0.000 0.197 1208 E C 1.715 178.269 176.600 -0.075 0.000 0.997 1208 E CA 1.196 57.555 56.400 -0.069 0.000 0.810 1208 E CB -0.465 29.145 29.700 -0.149 0.000 0.738 1208 E HN 0.458 nan 8.360 nan 0.000 0.467 1209 F N -0.603 119.272 119.950 -0.125 0.000 2.250 1209 F HA -0.197 4.331 4.527 0.001 0.000 0.301 1209 F C 1.137 176.829 175.800 -0.180 0.000 1.077 1209 F CA 0.752 58.638 58.000 -0.190 0.000 1.348 1209 F CB -0.035 38.685 39.000 -0.465 0.000 1.040 1209 F HN 0.140 nan 8.300 nan 0.000 0.509 1210 Y N -0.109 120.347 120.300 0.261 0.000 2.470 1210 Y HA 0.099 4.650 4.550 0.001 0.000 0.302 1210 Y C 1.513 177.431 175.900 0.029 0.000 1.194 1210 Y CA -0.506 57.679 58.100 0.143 0.000 1.271 1210 Y CB -0.959 37.520 38.460 0.033 0.000 1.092 1210 Y HN -0.003 nan 8.280 nan 0.000 0.513 1211 K N -0.742 119.668 120.400 0.018 0.000 2.063 1211 K HA -0.027 4.293 4.320 0.001 0.000 0.204 1211 K C 0.932 177.422 176.600 -0.184 0.000 1.039 1211 K CA 1.245 57.397 56.287 -0.225 0.000 0.957 1211 K CB -0.187 31.939 32.500 -0.622 0.000 0.764 1211 K HN 0.283 nan 8.250 nan 0.000 0.447 1212 Y N 0.027 120.396 120.300 0.115 0.000 2.519 1212 Y HA 0.115 4.665 4.550 0.001 0.000 0.287 1212 Y C 0.606 176.597 175.900 0.151 0.000 1.128 1212 Y CA -0.202 57.968 58.100 0.117 0.000 1.282 1212 Y CB 0.548 39.068 38.460 0.099 0.000 1.027 1212 Y HN -0.227 nan 8.280 nan 0.000 0.551 1213 V N -0.992 119.118 119.914 0.328 0.000 2.971 1213 V HA 0.190 4.310 4.120 0.001 0.000 0.309 1213 V C -1.037 175.290 176.094 0.388 0.000 1.130 1213 V CA -1.445 61.041 62.300 0.309 0.000 0.964 1213 V CB 2.087 34.070 31.823 0.268 0.000 1.029 1213 V HN 0.096 nan 8.190 nan 0.000 0.427 1214 H N 2.171 121.374 119.070 0.222 0.000 2.690 1214 H HA 0.319 4.875 4.556 0.001 0.000 0.365 1214 H C 0.980 176.450 175.328 0.237 0.000 1.142 1214 H CA 0.298 56.459 56.048 0.189 0.000 1.417 1214 H CB 0.841 30.640 29.762 0.062 0.000 1.446 1214 H HN 0.548 nan 8.280 nan 0.000 0.599 1215 L N 1.929 122.809 121.223 -0.572 0.000 2.270 1215 L HA -0.202 4.138 4.340 0.001 0.000 0.217 1215 L C 1.685 178.367 176.870 -0.313 0.000 1.107 1215 L CA 1.792 56.348 54.840 -0.473 0.000 0.772 1215 L CB -0.510 41.061 42.059 -0.813 0.000 0.902 1215 L HN 0.643 nan 8.230 nan 0.000 0.439 1216 S N -2.322 113.150 115.700 -0.379 0.000 2.622 1216 S HA 0.109 4.580 4.470 0.001 0.000 0.236 1216 S C 0.926 175.533 174.600 0.012 0.000 0.956 1216 S CA -0.288 57.842 58.200 -0.117 0.000 0.971 1216 S CB 0.208 63.403 63.200 -0.008 0.000 0.782 1216 S HN 0.444 nan 8.310 nan 0.000 0.468 1217 E N 0.215 120.441 120.200 0.043 0.000 2.641 1217 E HA 0.186 4.536 4.350 0.001 0.000 0.224 1217 E C -0.873 175.722 176.600 -0.010 0.000 0.951 1217 E CA -0.025 56.399 56.400 0.041 0.000 1.102 1217 E CB 1.360 31.109 29.700 0.082 0.000 1.091 1217 E HN 0.333 nan 8.360 nan 0.000 0.507 1218 V N 1.968 121.875 119.914 -0.011 0.000 2.299 1218 V HA 0.349 4.469 4.120 0.001 0.000 0.255 1218 V C 0.647 176.707 176.094 -0.057 0.000 1.100 1218 V CA -0.475 61.755 62.300 -0.117 0.000 0.938 1218 V CB 0.396 32.133 31.823 -0.143 0.000 1.139 1218 V HN 0.124 nan 8.190 nan 0.000 0.490 1219 G N 3.069 111.835 108.800 -0.058 0.000 2.504 1219 G HA2 0.397 4.357 3.960 0.001 0.000 0.288 1219 G HA3 0.397 4.357 3.960 0.001 0.000 0.288 1219 G C -0.494 174.402 174.900 -0.006 0.000 1.182 1219 G CA -0.610 44.478 45.100 -0.019 0.000 0.894 1219 G HN 0.658 nan 8.290 nan 0.000 0.521 1220 N N -0.345 118.369 118.700 0.023 0.000 2.519 1220 N HA 0.279 5.020 4.740 0.001 0.000 0.286 1220 N C -0.884 174.663 175.510 0.062 0.000 1.079 1220 N CA -0.761 52.318 53.050 0.049 0.000 0.878 1220 N CB 1.265 39.791 38.487 0.066 0.000 1.375 1220 N HN 0.320 nan 8.380 nan 0.000 0.514 1221 C N 4.967 124.308 119.300 0.069 0.000 2.660 1221 C HA 0.403 4.864 4.460 0.001 0.000 0.265 1221 C C 0.421 175.463 174.990 0.086 0.000 1.573 1221 C CA -0.586 58.473 59.018 0.069 0.000 1.751 1221 C CB -1.833 25.939 27.740 0.053 0.000 3.033 1221 C HN 0.632 nan 8.230 nan 0.000 0.511 1222 I N 1.662 122.310 120.570 0.129 0.000 2.496 1222 I HA 0.480 4.650 4.170 0.001 0.000 0.285 1222 I C 1.016 177.216 176.117 0.139 0.000 1.080 1222 I CA 0.704 62.107 61.300 0.172 0.000 1.404 1222 I CB 0.715 38.888 38.000 0.289 0.000 1.403 1222 I HN 0.462 nan 8.210 nan 0.000 0.539 1223 G N 3.585 112.378 108.800 -0.011 0.000 3.140 1223 G HA2 0.812 4.773 3.960 0.001 0.000 0.271 1223 G HA3 0.812 4.773 3.960 0.001 0.000 0.271 1223 G C -1.009 173.530 174.900 -0.603 0.000 1.370 1223 G CA -0.266 44.735 45.100 -0.166 0.000 1.014 1223 G HN 0.705 nan 8.290 nan 0.000 0.541 1224 S N -3.169 112.233 115.700 -0.496 0.000 2.656 1224 S HA 0.585 5.055 4.470 0.001 0.000 0.265 1224 S C 0.791 175.247 174.600 -0.239 0.000 1.132 1224 S CA 0.520 58.364 58.200 -0.594 0.000 0.819 1224 S CB 0.938 63.483 63.200 -1.091 0.000 1.119 1224 S HN 1.553 nan 8.310 nan 0.000 0.476 1225 G N -0.228 108.479 108.800 -0.155 0.000 2.437 1225 G HA2 0.306 4.267 3.960 0.001 0.000 0.212 1225 G HA3 0.306 4.267 3.960 0.001 0.000 0.212 1225 G C 1.008 175.881 174.900 -0.045 0.000 1.174 1225 G CA 1.208 46.271 45.100 -0.063 0.000 0.811 1225 G HN 1.521 nan 8.290 nan 0.000 0.537 1226 V N -2.919 116.981 119.914 -0.025 0.000 3.261 1226 V HA 0.583 4.703 4.120 0.001 0.000 0.212 1226 V C 1.327 177.454 176.094 0.054 0.000 1.381 1226 V CA 0.311 62.603 62.300 -0.013 0.000 1.322 1226 V CB -0.902 30.893 31.823 -0.047 0.000 1.188 1226 V HN 1.153 nan 8.190 nan 0.000 0.520 1227 G N 0.733 109.612 108.800 0.132 0.000 3.276 1227 G HA2 0.332 4.293 3.960 0.001 0.000 0.540 1227 G HA3 0.332 4.293 3.960 0.001 0.000 0.540 1227 G C 1.010 176.051 174.900 0.235 0.000 0.717 1227 G CA 0.392 45.682 45.100 0.317 0.000 1.000 1227 G HN 2.301 nan 8.290 nan 0.000 0.509 1228 G N 1.167 110.077 108.800 0.183 0.000 2.131 1228 G HA2 -0.045 3.916 3.960 0.001 0.000 0.201 1228 G HA3 -0.045 3.916 3.960 0.001 0.000 0.201 1228 G C 1.200 176.130 174.900 0.050 0.000 1.000 1228 G CA 0.995 46.156 45.100 0.102 0.000 0.680 1228 G HN 1.904 nan 8.290 nan 0.000 0.514 1229 T N 0.029 114.615 114.554 0.054 0.000 2.897 1229 T HA -0.068 4.282 4.350 0.001 0.000 0.271 1229 T C 2.357 177.053 174.700 -0.006 0.000 1.084 1229 T CA 1.947 64.050 62.100 0.004 0.000 1.123 1229 T CB -0.040 68.839 68.868 0.017 0.000 0.865 1229 T HN 0.466 nan 8.240 nan 0.000 0.496 1230 S N 0.510 116.221 115.700 0.019 0.000 2.371 1230 S HA 0.180 4.650 4.470 0.001 0.000 0.221 1230 S C 2.432 177.042 174.600 0.016 0.000 1.036 1230 S CA 0.735 58.945 58.200 0.016 0.000 0.965 1230 S CB -0.403 62.810 63.200 0.022 0.000 0.845 1230 S HN 0.537 nan 8.310 nan 0.000 0.475 1231 A N 1.515 124.350 122.820 0.024 0.000 1.930 1231 A HA 0.118 4.438 4.320 0.001 0.000 0.217 1231 A C 2.114 179.724 177.584 0.045 0.000 1.175 1231 A CA 0.891 52.950 52.037 0.037 0.000 0.627 1231 A CB -0.769 18.262 19.000 0.051 0.000 0.815 1231 A HN 0.547 nan 8.150 nan 0.000 0.443 1232 L N -0.452 120.784 121.223 0.021 0.000 2.129 1232 L HA -0.220 4.121 4.340 0.001 0.000 0.212 1232 L C 2.797 179.696 176.870 0.048 0.000 1.087 1232 L CA 2.032 56.875 54.840 0.006 0.000 0.757 1232 L CB -0.352 41.652 42.059 -0.092 0.000 0.896 1232 L HN 0.593 nan 8.230 nan 0.000 0.434 1233 R N -0.225 120.286 120.500 0.018 0.000 2.055 1233 R HA -0.094 4.247 4.340 0.001 0.000 0.226 1233 R C 2.110 178.451 176.300 0.069 0.000 1.135 1233 R CA 1.322 57.436 56.100 0.023 0.000 0.959 1233 R CB -0.664 29.626 30.300 -0.017 0.000 0.854 1233 R HN 0.327 nan 8.270 nan 0.000 0.431 1234 G N 1.280 110.112 108.800 0.053 0.000 2.499 1234 G HA2 -0.313 3.648 3.960 0.001 0.000 0.221 1234 G HA3 -0.313 3.648 3.960 0.001 0.000 0.221 1234 G C 1.398 176.333 174.900 0.059 0.000 1.109 1234 G CA 0.963 46.092 45.100 0.049 0.000 0.749 1234 G HN 0.399 nan 8.290 nan 0.000 0.568 1235 M N -1.411 118.247 119.600 0.097 0.000 2.191 1235 M HA 0.162 4.642 4.480 0.001 0.000 0.262 1235 M C 1.968 178.261 176.300 -0.012 0.000 1.083 1235 M CA 1.093 56.426 55.300 0.054 0.000 1.154 1235 M CB 0.258 32.937 32.600 0.133 0.000 1.344 1235 M HN 0.219 nan 8.290 nan 0.000 0.431 1236 Y N -0.282 119.996 120.300 -0.037 0.000 2.500 1236 Y HA 0.120 4.670 4.550 0.001 0.000 0.270 1236 Y C 2.199 178.072 175.900 -0.045 0.000 1.134 1236 Y CA 0.686 58.753 58.100 -0.056 0.000 1.293 1236 Y CB 0.133 38.542 38.460 -0.085 0.000 1.063 1236 Y HN 0.275 nan 8.280 nan 0.000 0.534 1237 K N -0.896 119.576 120.400 0.120 0.000 2.757 1237 K HA 0.036 4.356 4.320 0.001 0.000 0.201 1237 K C 0.907 177.573 176.600 0.110 0.000 1.495 1237 K CA 0.504 56.853 56.287 0.103 0.000 1.090 1237 K CB -0.021 32.509 32.500 0.050 0.000 1.796 1237 K HN -0.190 nan 8.250 nan 0.000 0.523 1238 D N 1.268 121.709 120.400 0.068 0.000 2.265 1238 D HA -0.138 4.502 4.640 0.001 0.000 0.208 1238 D C 1.793 178.116 176.300 0.038 0.000 0.977 1238 D CA 0.979 55.007 54.000 0.045 0.000 0.871 1238 D CB 0.152 40.970 40.800 0.030 0.000 0.925 1238 D HN 0.267 nan 8.370 nan 0.000 0.485 1239 R N -0.994 119.536 120.500 0.051 0.000 2.128 1239 R HA -0.062 4.278 4.340 0.001 0.000 0.211 1239 R C 2.081 178.406 176.300 0.042 0.000 1.067 1239 R CA 0.269 56.386 56.100 0.028 0.000 1.010 1239 R CB -0.387 29.919 30.300 0.011 0.000 0.922 1239 R HN 0.130 nan 8.270 nan 0.000 0.457 1240 Y N 0.074 120.346 120.300 -0.047 0.000 2.574 1240 Y HA -0.009 4.541 4.550 0.001 0.000 0.294 1240 Y C 1.023 176.901 175.900 -0.036 0.000 1.142 1240 Y CA 0.877 58.948 58.100 -0.047 0.000 1.314 1240 Y CB 0.280 38.713 38.460 -0.045 0.000 0.991 1240 Y HN 0.144 nan 8.280 nan 0.000 0.555 1241 L N 0.409 121.611 121.223 -0.035 0.000 2.640 1241 L HA 0.151 4.491 4.340 0.001 0.000 0.230 1241 L C 0.418 177.230 176.870 -0.096 0.000 1.123 1241 L CA 0.731 55.517 54.840 -0.090 0.000 0.900 1241 L CB -0.119 41.945 42.059 0.008 0.000 1.146 1241 L HN 0.142 nan 8.230 nan 0.000 0.484 1242 D N 0.083 120.429 120.400 -0.089 0.000 2.870 1242 D HA -0.230 4.410 4.640 0.001 0.000 0.228 1242 D C 0.300 176.573 176.300 -0.045 0.000 1.147 1242 D CA 0.736 54.690 54.000 -0.076 0.000 0.757 1242 D CB -0.490 40.247 40.800 -0.105 0.000 1.091 1242 D HN 0.298 nan 8.370 nan 0.000 0.429 1243 K N 0.067 120.452 120.400 -0.026 0.000 2.126 1243 K HA 0.407 4.728 4.320 0.001 0.000 0.257 1243 K C -2.296 174.298 176.600 -0.011 0.000 1.007 1243 K CA -1.426 54.853 56.287 -0.014 0.000 0.928 1243 K CB 0.410 32.908 32.500 -0.003 0.000 1.013 1243 K HN -0.008 nan 8.250 nan 0.000 0.473 1244 P HA 0.074 nan 4.420 nan 0.000 0.273 1244 P C -1.100 176.200 177.300 -0.000 0.000 1.319 1244 P CA -0.090 63.007 63.100 -0.006 0.000 0.885 1244 P CB 0.402 32.099 31.700 -0.005 0.000 1.015 1245 V N 3.930 123.845 119.914 0.001 0.000 2.815 1245 V HA 0.260 4.380 4.120 0.001 0.000 0.314 1245 V C 0.581 176.681 176.094 0.010 0.000 1.064 1245 V CA -0.928 61.377 62.300 0.008 0.000 0.952 1245 V CB 1.816 33.646 31.823 0.011 0.000 1.020 1245 V HN 0.407 nan 8.190 nan 0.000 0.439 1246 Q N 1.504 121.314 119.800 0.017 0.000 2.540 1246 Q HA 0.126 4.466 4.340 0.001 0.000 0.256 1246 Q C 0.558 176.574 176.000 0.027 0.000 1.084 1246 Q CA 0.050 55.868 55.803 0.024 0.000 0.956 1246 Q CB 0.859 29.618 28.738 0.034 0.000 1.303 1246 Q HN 0.512 nan 8.270 nan 0.000 0.509 1247 K N 0.468 120.886 120.400 0.031 0.000 2.365 1247 K HA -0.089 4.232 4.320 0.001 0.000 0.197 1247 K C 0.114 176.741 176.600 0.045 0.000 1.042 1247 K CA 1.053 57.358 56.287 0.030 0.000 0.987 1247 K CB 0.321 32.837 32.500 0.026 0.000 0.779 1247 K HN 0.599 nan 8.250 nan 0.000 0.484 1248 D N -0.065 120.372 120.400 0.062 0.000 2.462 1248 D HA -0.022 4.619 4.640 0.001 0.000 0.221 1248 D C 1.045 177.410 176.300 0.109 0.000 1.173 1248 D CA -0.217 53.837 54.000 0.088 0.000 0.831 1248 D CB -0.305 40.557 40.800 0.102 0.000 1.001 1248 D HN 0.124 nan 8.370 nan 0.000 0.499 1249 I N -2.203 118.417 120.570 0.084 0.000 2.800 1249 I HA -0.099 4.071 4.170 0.001 0.000 0.266 1249 I C 1.766 177.943 176.117 0.101 0.000 1.249 1249 I CA 0.522 61.874 61.300 0.086 0.000 1.458 1249 I CB -0.603 37.432 38.000 0.058 0.000 1.093 1249 I HN 0.039 nan 8.210 nan 0.000 0.466 1250 L N 0.784 122.073 121.223 0.110 0.000 2.046 1250 L HA -0.180 4.160 4.340 0.001 0.000 0.208 1250 L C 2.559 179.596 176.870 0.279 0.000 1.077 1250 L CA 1.792 56.712 54.840 0.135 0.000 0.747 1250 L CB -0.997 41.153 42.059 0.152 0.000 0.896 1250 L HN 0.369 nan 8.230 nan 0.000 0.432 1251 Q N -0.409 119.567 119.800 0.293 0.000 2.118 1251 Q HA -0.235 4.106 4.340 0.001 0.000 0.211 1251 Q C 1.348 177.590 176.000 0.404 0.000 0.998 1251 Q CA 2.045 58.053 55.803 0.340 0.000 0.872 1251 Q CB -0.193 28.681 28.738 0.227 0.000 0.925 1251 Q HN 0.578 nan 8.270 nan 0.000 0.414 1252 E N -0.401 119.970 120.200 0.285 0.000 2.437 1252 E HA -0.003 4.347 4.350 0.001 0.000 0.189 1252 E C 1.295 177.998 176.600 0.173 0.000 1.054 1252 E CA 0.439 56.991 56.400 0.254 0.000 0.874 1252 E CB 0.485 30.300 29.700 0.192 0.000 1.011 1252 E HN 0.303 nan 8.360 nan 0.000 0.474 1253 S N -0.582 115.181 115.700 0.104 0.000 2.524 1253 S HA 0.131 4.601 4.470 0.001 0.000 0.215 1253 S C 0.520 175.061 174.600 -0.097 0.000 0.986 1253 S CA -0.511 57.665 58.200 -0.040 0.000 0.911 1253 S CB -0.294 62.819 63.200 -0.145 0.000 0.805 1253 S HN -0.027 nan 8.310 nan 0.000 0.501 1254 F N 1.491 121.508 119.950 0.111 0.000 2.399 1254 F HA 0.352 4.879 4.527 0.001 0.000 0.342 1254 F C 1.593 177.483 175.800 0.149 0.000 1.106 1254 F CA -0.673 57.392 58.000 0.107 0.000 1.196 1254 F CB 0.908 39.959 39.000 0.085 0.000 1.163 1254 F HN -0.177 nan 8.300 nan 0.000 0.547 1255 V N 1.997 122.106 119.914 0.324 0.000 2.490 1255 V HA -0.301 3.820 4.120 0.001 0.000 0.250 1255 V C 2.008 178.314 176.094 0.352 0.000 1.061 1255 V CA 2.081 64.565 62.300 0.307 0.000 1.064 1255 V CB -0.629 31.297 31.823 0.172 0.000 0.670 1255 V HN 0.876 nan 8.190 nan 0.000 0.461 1256 N N -0.713 118.156 118.700 0.282 0.000 2.336 1256 N HA -0.058 4.682 4.740 0.001 0.000 0.189 1256 N C 1.215 176.825 175.510 0.167 0.000 1.113 1256 N CA 0.932 54.104 53.050 0.202 0.000 0.858 1256 N CB 0.186 38.741 38.487 0.114 0.000 0.970 1256 N HN 0.414 nan 8.380 nan 0.000 0.471 1257 T N 0.879 115.568 114.554 0.225 0.000 2.978 1257 T HA 0.068 4.418 4.350 0.001 0.000 0.262 1257 T C 1.784 176.638 174.700 0.258 0.000 1.063 1257 T CA 0.602 62.804 62.100 0.170 0.000 1.140 1257 T CB 0.029 69.057 68.868 0.267 0.000 0.886 1257 T HN 0.045 nan 8.240 nan 0.000 0.470 1258 M N 2.031 121.797 119.600 0.277 0.000 2.084 1258 M HA 0.022 4.503 4.480 0.001 0.000 0.259 1258 M C 2.742 179.183 176.300 0.235 0.000 1.072 1258 M CA 1.800 57.221 55.300 0.202 0.000 1.107 1258 M CB -1.253 31.290 32.600 -0.094 0.000 1.299 1258 M HN 0.278 nan 8.290 nan 0.000 0.413 1259 A N 0.014 122.976 122.820 0.238 0.000 1.896 1259 A HA -0.224 4.096 4.320 0.001 0.000 0.220 1259 A C 2.433 180.102 177.584 0.142 0.000 1.206 1259 A CA 2.969 55.124 52.037 0.196 0.000 0.647 1259 A CB -1.545 17.561 19.000 0.176 0.000 0.828 1259 A HN 0.566 nan 8.150 nan 0.000 0.455 1260 A N -1.790 121.074 122.820 0.075 0.000 1.883 1260 A HA -0.216 4.104 4.320 0.001 0.000 0.217 1260 A C 2.025 179.604 177.584 -0.009 0.000 1.186 1260 A CA 1.544 53.560 52.037 -0.035 0.000 0.624 1260 A CB -1.075 17.816 19.000 -0.181 0.000 0.822 1260 A HN 0.781 nan 8.150 nan 0.000 0.444 1261 W N -0.304 121.044 121.300 0.080 0.000 2.350 1261 W HA -0.136 4.524 4.660 0.001 0.000 0.289 1261 W C 2.215 178.802 176.519 0.114 0.000 1.215 1261 W CA 1.112 58.507 57.345 0.084 0.000 1.236 1261 W CB -0.272 29.224 29.460 0.061 0.000 1.130 1261 W HN 0.160 nan 8.180 nan 0.000 0.541 1262 V N 0.055 120.171 119.914 0.336 0.000 2.343 1262 V HA -0.342 3.779 4.120 0.001 0.000 0.247 1262 V C 1.693 177.915 176.094 0.213 0.000 1.051 1262 V CA 2.310 64.769 62.300 0.265 0.000 1.036 1262 V CB -0.973 30.978 31.823 0.212 0.000 0.654 1262 V HN 0.251 nan 8.190 nan 0.000 0.451 1263 N N -0.795 118.008 118.700 0.171 0.000 2.409 1263 N HA 0.005 4.745 4.740 0.001 0.000 0.179 1263 N C 1.587 177.185 175.510 0.147 0.000 1.032 1263 N CA 0.679 53.814 53.050 0.142 0.000 0.898 1263 N CB -0.037 38.511 38.487 0.100 0.000 0.971 1263 N HN 0.425 nan 8.380 nan 0.000 0.441 1264 M N -0.694 118.999 119.600 0.156 0.000 2.495 1264 M HA 0.164 4.644 4.480 0.001 0.000 0.237 1264 M C 0.669 177.107 176.300 0.229 0.000 1.131 1264 M CA 0.484 55.875 55.300 0.152 0.000 1.032 1264 M CB 0.579 33.213 32.600 0.058 0.000 1.513 1264 M HN 0.144 nan 8.290 nan 0.000 0.488 1265 L N -1.839 119.536 121.223 0.254 0.000 2.854 1265 L HA 0.235 4.576 4.340 0.001 0.000 0.249 1265 L C 1.438 178.374 176.870 0.110 0.000 1.091 1265 L CA 0.047 55.036 54.840 0.248 0.000 0.935 1265 L CB 0.397 42.693 42.059 0.395 0.000 1.367 1265 L HN 0.222 nan 8.230 nan 0.000 0.524 1266 L N -0.304 120.974 121.223 0.092 0.000 3.260 1266 L HA 0.226 4.566 4.340 0.001 0.000 0.171 1266 L C 0.399 177.295 176.870 0.044 0.000 1.315 1266 L CA -0.134 54.697 54.840 -0.015 0.000 0.886 1266 L CB 0.137 42.189 42.059 -0.012 0.000 1.431 1266 L HN 0.020 nan 8.230 nan 0.000 0.583 1267 L N 0.523 121.831 121.223 0.142 0.000 2.352 1267 L HA 0.400 4.740 4.340 0.001 0.000 0.272 1267 L C 0.193 177.255 176.870 0.321 0.000 1.109 1267 L CA -0.544 54.453 54.840 0.260 0.000 0.952 1267 L CB 0.374 42.550 42.059 0.195 0.000 1.314 1267 L HN 0.146 nan 8.230 nan 0.000 0.427 1268 S N 1.705 117.646 115.700 0.403 0.000 2.457 1268 S HA 0.434 4.904 4.470 0.001 0.000 0.294 1268 S C 0.354 175.090 174.600 0.227 0.000 1.201 1268 S CA -0.057 58.317 58.200 0.290 0.000 1.112 1268 S CB 0.017 63.377 63.200 0.266 0.000 1.018 1268 S HN 0.875 nan 8.310 nan 0.000 0.511 1269 S N 1.822 117.619 115.700 0.161 0.000 2.546 1269 S HA 0.511 4.981 4.470 0.001 0.000 0.274 1269 S C -0.138 174.450 174.600 -0.021 0.000 1.121 1269 S CA -0.862 57.386 58.200 0.079 0.000 0.887 1269 S CB 1.429 64.746 63.200 0.196 0.000 1.094 1269 S HN 0.483 nan 8.310 nan 0.000 0.474 1270 T N 2.407 116.856 114.554 -0.174 0.000 3.332 1270 T HA 0.403 4.753 4.350 0.001 0.000 0.246 1270 T C 0.830 175.471 174.700 -0.097 0.000 0.943 1270 T CA -0.031 61.958 62.100 -0.186 0.000 0.922 1270 T CB -0.723 67.879 68.868 -0.443 0.000 1.086 1270 T HN 0.886 nan 8.240 nan 0.000 0.590 1271 G N 2.309 111.088 108.800 -0.035 0.000 2.528 1271 G HA2 0.533 4.494 3.960 0.001 0.000 0.289 1271 G HA3 0.533 4.494 3.960 0.001 0.000 0.289 1271 G C -2.623 172.276 174.900 -0.002 0.000 1.192 1271 G CA -1.514 43.579 45.100 -0.013 0.000 0.921 1271 G HN 0.130 nan 8.290 nan 0.000 0.512 1272 P HA 0.292 nan 4.420 nan 0.000 0.269 1272 P C -0.294 177.015 177.300 0.015 0.000 1.215 1272 P CA 0.009 63.113 63.100 0.006 0.000 0.780 1272 P CB 0.768 32.470 31.700 0.004 0.000 0.898 1273 I N -1.841 118.741 120.570 0.019 0.000 2.512 1273 I HA 0.565 4.736 4.170 0.001 0.000 0.287 1273 I C -1.027 175.107 176.117 0.029 0.000 1.069 1273 I CA -0.877 60.441 61.300 0.029 0.000 1.056 1273 I CB 2.338 40.360 38.000 0.035 0.000 1.229 1273 I HN 0.051 nan 8.210 nan 0.000 0.429 1274 K N 5.072 125.492 120.400 0.034 0.000 2.604 1274 K HA 0.414 4.734 4.320 0.001 0.000 0.247 1274 K C -0.646 175.979 176.600 0.042 0.000 0.956 1274 K CA -0.539 55.767 56.287 0.032 0.000 0.896 1274 K CB 2.111 34.627 32.500 0.025 0.000 1.131 1274 K HN 0.800 nan 8.250 nan 0.000 0.440 1275 T N 0.610 115.193 114.554 0.048 0.000 2.767 1275 T HA 0.613 4.964 4.350 0.001 0.000 0.284 1275 T C -2.331 172.391 174.700 0.036 0.000 0.973 1275 T CA -1.826 60.307 62.100 0.056 0.000 0.996 1275 T CB 1.155 70.076 68.868 0.089 0.000 0.927 1275 T HN 0.160 nan 8.240 nan 0.000 0.456 1276 P HA 0.663 nan 4.420 nan 0.000 0.287 1276 P C -1.266 176.021 177.300 -0.021 0.000 1.290 1276 P CA -1.032 62.068 63.100 0.000 0.000 0.889 1276 P CB 1.607 33.304 31.700 -0.006 0.000 1.190 1277 V N 0.920 120.826 119.914 -0.013 0.000 2.380 1277 V HA 0.428 4.548 4.120 0.001 0.000 0.268 1277 V C 0.907 176.995 176.094 -0.010 0.000 1.008 1277 V CA -0.255 62.032 62.300 -0.022 0.000 0.823 1277 V CB 0.878 32.697 31.823 -0.006 0.000 1.053 1277 V HN 0.867 nan 8.190 nan 0.000 0.446 1278 G N 2.326 111.114 108.800 -0.019 0.000 3.702 1278 G HA2 0.547 4.507 3.960 0.001 0.000 0.288 1278 G HA3 0.547 4.507 3.960 0.001 0.000 0.288 1278 G C 0.868 175.782 174.900 0.023 0.000 1.193 1278 G CA 0.782 45.880 45.100 -0.004 0.000 0.952 1278 G HN 1.161 nan 8.290 nan 0.000 0.544 1279 A N -0.546 122.295 122.820 0.034 0.000 5.483 1279 A HA -0.357 3.963 4.320 0.001 0.000 0.309 1279 A C 2.234 179.874 177.584 0.094 0.000 1.898 1279 A CA 1.439 53.524 52.037 0.079 0.000 0.716 1279 A CB -1.650 17.458 19.000 0.180 0.000 1.309 1279 A HN 0.871 nan 8.150 nan 0.000 0.380 1280 C N -0.516 118.903 119.300 0.199 0.000 2.403 1280 C HA 0.163 4.623 4.460 0.001 0.000 0.277 1280 C C 2.818 177.871 174.990 0.105 0.000 1.248 1280 C CA 1.754 60.916 59.018 0.240 0.000 1.762 1280 C CB -1.793 26.201 27.740 0.425 0.000 2.014 1280 C HN 1.552 nan 8.230 nan 0.000 0.486 1281 A N -0.332 122.494 122.820 0.011 0.000 2.462 1281 A HA 0.184 4.504 4.320 0.001 0.000 0.261 1281 A C 1.733 179.276 177.584 -0.069 0.000 1.323 1281 A CA 0.602 52.586 52.037 -0.088 0.000 0.913 1281 A CB -0.546 18.353 19.000 -0.169 0.000 1.028 1281 A HN 0.516 nan 8.150 nan 0.000 0.511 1282 T N 0.678 115.204 114.554 -0.047 0.000 2.607 1282 T HA -0.206 4.145 4.350 0.001 0.000 0.267 1282 T C 2.356 177.017 174.700 -0.065 0.000 1.049 1282 T CA 2.015 64.077 62.100 -0.063 0.000 1.162 1282 T CB -0.373 68.438 68.868 -0.094 0.000 0.863 1282 T HN 0.687 nan 8.240 nan 0.000 0.424 1283 A N 0.718 123.497 122.820 -0.069 0.000 1.958 1283 A HA -0.145 4.175 4.320 0.001 0.000 0.221 1283 A C 2.578 180.144 177.584 -0.030 0.000 1.178 1283 A CA 1.954 53.963 52.037 -0.047 0.000 0.642 1283 A CB -1.122 17.849 19.000 -0.049 0.000 0.816 1283 A HN 0.393 nan 8.150 nan 0.000 0.453 1284 V N -0.265 119.620 119.914 -0.049 0.000 2.283 1284 V HA -0.238 3.882 4.120 0.001 0.000 0.243 1284 V C 2.500 178.563 176.094 -0.051 0.000 1.039 1284 V CA 2.104 64.371 62.300 -0.055 0.000 1.016 1284 V CB -0.769 30.997 31.823 -0.095 0.000 0.650 1284 V HN 0.826 nan 8.190 nan 0.000 0.449 1285 E N 0.234 120.400 120.200 -0.057 0.000 2.147 1285 E HA -0.308 4.042 4.350 0.001 0.000 0.199 1285 E C 2.319 178.911 176.600 -0.012 0.000 1.005 1285 E CA 1.736 58.113 56.400 -0.039 0.000 0.810 1285 E CB -0.236 29.440 29.700 -0.039 0.000 0.736 1285 E HN 0.532 nan 8.360 nan 0.000 0.460 1286 S N -0.202 115.492 115.700 -0.011 0.000 2.368 1286 S HA -0.164 4.307 4.470 0.001 0.000 0.225 1286 S C 1.970 176.589 174.600 0.032 0.000 1.030 1286 S CA 1.105 59.312 58.200 0.012 0.000 0.999 1286 S CB -0.333 62.872 63.200 0.009 0.000 0.844 1286 S HN 0.399 nan 8.310 nan 0.000 0.459 1287 L N 2.295 123.532 121.223 0.023 0.000 2.042 1287 L HA -0.094 4.247 4.340 0.001 0.000 0.210 1287 L C 2.216 179.125 176.870 0.064 0.000 1.076 1287 L CA 2.528 57.390 54.840 0.037 0.000 0.749 1287 L CB -0.917 41.144 42.059 0.003 0.000 0.893 1287 L HN 0.412 nan 8.230 nan 0.000 0.432 1288 D N -0.707 119.712 120.400 0.032 0.000 2.095 1288 D HA -0.196 4.444 4.640 0.001 0.000 0.192 1288 D C 2.103 178.487 176.300 0.140 0.000 0.990 1288 D CA 2.291 56.336 54.000 0.074 0.000 0.836 1288 D CB -0.214 40.598 40.800 0.021 0.000 0.979 1288 D HN 0.207 nan 8.370 nan 0.000 0.447 1289 V N 1.250 121.211 119.914 0.078 0.000 2.250 1289 V HA -0.296 3.824 4.120 0.001 0.000 0.253 1289 V C 2.704 178.842 176.094 0.074 0.000 1.065 1289 V CA 2.463 64.802 62.300 0.065 0.000 1.039 1289 V CB -1.306 30.542 31.823 0.040 0.000 0.647 1289 V HN 0.454 nan 8.190 nan 0.000 0.446 1290 G N -1.845 107.005 108.800 0.083 0.000 2.459 1290 G HA2 -0.364 3.596 3.960 0.001 0.000 0.217 1290 G HA3 -0.364 3.596 3.960 0.001 0.000 0.217 1290 G C 1.457 176.418 174.900 0.102 0.000 1.183 1290 G CA 1.306 46.453 45.100 0.079 0.000 0.776 1290 G HN 0.575 nan 8.290 nan 0.000 0.552 1291 Y N 2.071 122.378 120.300 0.011 0.000 2.014 1291 Y HA -0.259 4.292 4.550 0.001 0.000 0.272 1291 Y C 2.561 178.467 175.900 0.010 0.000 1.164 1291 Y CA 2.469 60.577 58.100 0.015 0.000 1.114 1291 Y CB -0.489 37.981 38.460 0.017 0.000 0.961 1291 Y HN 0.228 nan 8.280 nan 0.000 0.489 1292 D N -0.714 119.683 120.400 -0.006 0.000 2.104 1292 D HA -0.181 4.459 4.640 0.001 0.000 0.194 1292 D C 2.217 178.445 176.300 -0.120 0.000 0.994 1292 D CA 2.232 56.160 54.000 -0.121 0.000 0.830 1292 D CB -0.775 40.036 40.800 0.018 0.000 0.959 1292 D HN 0.428 nan 8.370 nan 0.000 0.452 1293 T N 0.871 115.396 114.554 -0.049 0.000 2.699 1293 T HA -0.129 4.221 4.350 0.001 0.000 0.268 1293 T C 2.140 176.803 174.700 -0.062 0.000 1.036 1293 T CA 0.674 62.750 62.100 -0.040 0.000 1.147 1293 T CB -0.213 68.649 68.868 -0.009 0.000 0.862 1293 T HN 0.187 nan 8.240 nan 0.000 0.446 1294 I N 0.476 121.000 120.570 -0.078 0.000 2.353 1294 I HA -0.026 4.144 4.170 0.001 0.000 0.248 1294 I C 1.886 177.930 176.117 -0.121 0.000 1.119 1294 I CA 0.999 62.252 61.300 -0.079 0.000 1.417 1294 I CB -0.194 37.774 38.000 -0.054 0.000 1.078 1294 I HN 0.243 nan 8.210 nan 0.000 0.421 1295 M N 0.315 119.787 119.600 -0.213 0.000 2.654 1295 M HA -0.005 4.476 4.480 0.001 0.000 0.217 1295 M C 0.571 176.776 176.300 -0.157 0.000 1.183 1295 M CA 0.794 55.959 55.300 -0.225 0.000 0.991 1295 M CB 0.006 32.372 32.600 -0.390 0.000 1.749 1295 M HN 0.287 nan 8.290 nan 0.000 0.475 1296 Q N -0.713 119.020 119.800 -0.112 0.000 2.057 1296 Q HA 0.202 4.542 4.340 0.001 0.000 0.216 1296 Q C 0.965 176.930 176.000 -0.059 0.000 0.788 1296 Q CA 0.247 56.000 55.803 -0.084 0.000 1.053 1296 Q CB 1.519 30.213 28.738 -0.074 0.000 1.210 1296 Q HN 0.707 nan 8.270 nan 0.000 0.455 1297 G N 1.787 110.555 108.800 -0.053 0.000 2.189 1297 G HA2 -0.325 3.635 3.960 0.001 0.000 0.267 1297 G HA3 -0.325 3.635 3.960 0.001 0.000 0.267 1297 G C 1.123 176.012 174.900 -0.019 0.000 0.975 1297 G CA 0.783 45.863 45.100 -0.032 0.000 0.644 1297 G HN 0.197 nan 8.290 nan 0.000 0.537 1298 K N 0.024 120.409 120.400 -0.024 0.000 2.148 1298 K HA 0.366 4.687 4.320 0.001 0.000 0.204 1298 K C 1.206 177.803 176.600 -0.004 0.000 1.050 1298 K CA 1.552 57.831 56.287 -0.013 0.000 0.942 1298 K CB -0.038 32.452 32.500 -0.018 0.000 0.724 1298 K HN 1.384 nan 8.250 nan 0.000 0.446 1299 A N -0.036 122.779 122.820 -0.009 0.000 2.586 1299 A HA 0.536 4.857 4.320 0.001 0.000 0.291 1299 A C 0.012 177.593 177.584 -0.005 0.000 1.062 1299 A CA -0.722 51.313 52.037 -0.003 0.000 0.666 1299 A CB 1.025 20.017 19.000 -0.014 0.000 1.281 1299 A HN 0.016 nan 8.150 nan 0.000 0.421 1300 R N -0.314 120.187 120.500 0.002 0.000 2.119 1300 R HA 0.318 4.658 4.340 0.001 0.000 0.202 1300 R C 0.605 176.902 176.300 -0.005 0.000 1.114 1300 R CA 0.726 56.833 56.100 0.012 0.000 1.089 1300 R CB 0.108 30.436 30.300 0.045 0.000 1.000 1300 R HN 0.489 nan 8.270 nan 0.000 0.487 1301 V N 0.241 120.121 119.914 -0.057 0.000 2.997 1301 V HA 0.402 4.523 4.120 0.001 0.000 0.311 1301 V C -0.822 175.183 176.094 -0.149 0.000 1.066 1301 V CA -0.303 61.915 62.300 -0.137 0.000 1.039 1301 V CB 1.756 33.328 31.823 -0.417 0.000 1.081 1301 V HN 0.467 nan 8.190 nan 0.000 0.467 1302 C N 5.720 124.944 119.300 -0.126 0.000 3.198 1302 C HA 0.337 4.798 4.460 0.001 0.000 0.438 1302 C C -1.083 173.897 174.990 -0.017 0.000 0.952 1302 C CA -1.079 57.901 59.018 -0.063 0.000 1.216 1302 C CB -0.212 27.518 27.740 -0.015 0.000 1.594 1302 C HN 0.932 nan 8.230 nan 0.000 0.598 1303 L N 5.552 126.773 121.223 -0.002 0.000 2.349 1303 L HA 0.716 5.056 4.340 0.001 0.000 0.275 1303 L C -0.011 176.900 176.870 0.069 0.000 1.115 1303 L CA -0.109 54.760 54.840 0.049 0.000 0.820 1303 L CB 1.349 43.450 42.059 0.071 0.000 1.135 1303 L HN 0.501 nan 8.230 nan 0.000 0.445 1304 V N 1.966 121.929 119.914 0.081 0.000 2.925 1304 V HA 0.954 5.075 4.120 0.001 0.000 0.311 1304 V C 0.160 176.312 176.094 0.096 0.000 1.104 1304 V CA -0.172 62.177 62.300 0.082 0.000 0.954 1304 V CB 2.016 33.881 31.823 0.070 0.000 1.022 1304 V HN 1.003 nan 8.190 nan 0.000 0.427 1305 G N 2.028 110.884 108.800 0.093 0.000 2.323 1305 G HA2 0.621 4.581 3.960 0.001 0.000 0.291 1305 G HA3 0.621 4.581 3.960 0.001 0.000 0.291 1305 G C -0.703 174.237 174.900 0.068 0.000 1.278 1305 G CA 0.170 45.330 45.100 0.100 0.000 0.860 1305 G HN 1.267 nan 8.290 nan 0.000 0.504 1306 G N -1.400 107.438 108.800 0.064 0.000 2.672 1306 G HA2 1.010 4.971 3.960 0.001 0.000 0.292 1306 G HA3 1.010 4.971 3.960 0.001 0.000 0.292 1306 G C -1.193 173.743 174.900 0.060 0.000 1.375 1306 G CA -0.145 44.925 45.100 -0.049 0.000 0.890 1306 G HN 1.786 nan 8.290 nan 0.000 0.476 1307 F N -1.073 118.898 119.950 0.034 0.000 2.678 1307 F HA 0.832 5.359 4.527 0.001 0.000 0.308 1307 F C -1.829 174.007 175.800 0.061 0.000 1.118 1307 F CA -1.122 56.913 58.000 0.059 0.000 0.959 1307 F CB 2.394 41.473 39.000 0.132 0.000 1.305 1307 F HN 0.479 nan 8.300 nan 0.000 0.443 1308 D N 0.815 121.423 120.400 0.347 0.000 2.722 1308 D HA 0.274 4.915 4.640 0.001 0.000 0.231 1308 D C -2.038 174.440 176.300 0.297 0.000 1.218 1308 D CA -0.203 53.966 54.000 0.282 0.000 0.753 1308 D CB 2.567 43.432 40.800 0.108 0.000 1.471 1308 D HN 0.702 nan 8.370 nan 0.000 0.455 1309 D N -0.066 120.520 120.400 0.309 0.000 2.440 1309 D HA 0.509 5.150 4.640 0.001 0.000 0.258 1309 D C -1.085 175.431 176.300 0.360 0.000 1.092 1309 D CA -0.432 53.784 54.000 0.359 0.000 1.016 1309 D CB 0.994 41.999 40.800 0.342 0.000 1.141 1309 D HN 0.146 nan 8.370 nan 0.000 0.552 1310 F N 1.337 121.456 119.950 0.281 0.000 2.420 1310 F HA 0.434 4.962 4.527 0.001 0.000 0.342 1310 F C -0.476 175.438 175.800 0.190 0.000 1.113 1310 F CA -0.157 57.979 58.000 0.227 0.000 1.059 1310 F CB 0.804 39.954 39.000 0.250 0.000 1.128 1310 F HN 0.143 nan 8.300 nan 0.000 0.475 1311 Q N 4.118 123.472 119.800 -0.743 0.000 2.456 1311 Q HA 0.111 4.451 4.340 0.001 0.000 0.284 1311 Q C 0.481 175.918 176.000 -0.939 0.000 1.061 1311 Q CA -0.688 54.715 55.803 -0.668 0.000 0.799 1311 Q CB 2.396 30.977 28.738 -0.261 0.000 1.445 1311 Q HN 0.884 nan 8.270 nan 0.000 0.411 1312 E N 1.166 120.825 120.200 -0.902 0.000 2.070 1312 E HA -0.250 4.101 4.350 0.001 0.000 0.197 1312 E C 0.815 177.096 176.600 -0.532 0.000 1.004 1312 E CA 1.879 57.639 56.400 -1.067 0.000 0.805 1312 E CB 0.374 29.520 29.700 -0.924 0.000 0.744 1312 E HN 0.520 nan 8.360 nan 0.000 0.451 1313 E N -0.200 119.769 120.200 -0.385 0.000 2.152 1313 E HA -0.081 4.269 4.350 0.001 0.000 0.192 1313 E C 2.078 178.554 176.600 -0.207 0.000 0.983 1313 E CA 0.897 57.139 56.400 -0.262 0.000 0.818 1313 E CB -0.348 29.213 29.700 -0.232 0.000 0.758 1313 E HN 0.401 nan 8.360 nan 0.000 0.467 1314 G N 1.723 110.375 108.800 -0.247 0.000 2.505 1314 G HA2 -0.299 3.662 3.960 0.001 0.000 0.214 1314 G HA3 -0.299 3.662 3.960 0.001 0.000 0.214 1314 G C 1.700 176.577 174.900 -0.038 0.000 1.237 1314 G CA 1.165 46.154 45.100 -0.186 0.000 0.802 1314 G HN 0.366 nan 8.290 nan 0.000 0.549 1315 S N -0.538 115.140 115.700 -0.037 0.000 2.380 1315 S HA -0.271 4.199 4.470 0.001 0.000 0.229 1315 S C 2.118 176.945 174.600 0.378 0.000 1.043 1315 S CA 2.037 60.382 58.200 0.242 0.000 1.038 1315 S CB -0.519 62.790 63.200 0.182 0.000 0.872 1315 S HN 0.482 nan 8.310 nan 0.000 0.456 1316 Y N 1.181 121.551 120.300 0.116 0.000 2.352 1316 Y HA -0.012 4.539 4.550 0.001 0.000 0.292 1316 Y C 2.346 178.273 175.900 0.044 0.000 1.136 1316 Y CA 1.863 59.983 58.100 0.032 0.000 1.227 1316 Y CB -0.140 38.097 38.460 -0.373 0.000 0.991 1316 Y HN 0.286 nan 8.280 nan 0.000 0.545 1317 E N -0.243 120.018 120.200 0.103 0.000 2.086 1317 E HA -0.098 4.252 4.350 0.001 0.000 0.190 1317 E C 1.834 178.386 176.600 -0.079 0.000 0.975 1317 E CA 1.281 57.656 56.400 -0.041 0.000 0.813 1317 E CB -0.616 28.961 29.700 -0.205 0.000 0.768 1317 E HN 0.518 nan 8.360 nan 0.000 0.457 1318 F N 0.526 120.488 119.950 0.020 0.000 2.126 1318 F HA -0.200 4.327 4.527 0.001 0.000 0.299 1318 F C 2.282 178.074 175.800 -0.014 0.000 1.096 1318 F CA 0.994 59.003 58.000 0.015 0.000 1.255 1318 F CB -0.381 38.627 39.000 0.013 0.000 0.997 1318 F HN 0.102 nan 8.300 nan 0.000 0.479 1319 A N 0.161 123.086 122.820 0.176 0.000 2.024 1319 A HA -0.249 4.071 4.320 0.001 0.000 0.220 1319 A C 1.754 179.344 177.584 0.011 0.000 1.164 1319 A CA 2.164 54.233 52.037 0.054 0.000 0.643 1319 A CB -0.915 18.138 19.000 0.088 0.000 0.806 1319 A HN 0.442 nan 8.150 nan 0.000 0.451 1320 N N -0.766 117.929 118.700 -0.007 0.000 2.396 1320 N HA 0.014 4.754 4.740 0.001 0.000 0.180 1320 N C 1.612 177.142 175.510 0.032 0.000 1.028 1320 N CA 1.316 54.358 53.050 -0.013 0.000 0.893 1320 N CB -0.180 38.294 38.487 -0.021 0.000 0.967 1320 N HN 0.543 nan 8.380 nan 0.000 0.440 1321 M N -2.075 117.571 119.600 0.077 0.000 2.435 1321 M HA 0.235 4.715 4.480 0.001 0.000 0.265 1321 M C 0.992 177.360 176.300 0.112 0.000 1.104 1321 M CA 0.789 56.162 55.300 0.122 0.000 1.140 1321 M CB 0.433 33.163 32.600 0.216 0.000 1.372 1321 M HN 0.221 nan 8.290 nan 0.000 0.456 1322 G N 0.078 108.930 108.800 0.087 0.000 2.154 1322 G HA2 -0.152 3.808 3.960 0.001 0.000 0.186 1322 G HA3 -0.152 3.808 3.960 0.001 0.000 0.186 1322 G C 0.779 175.696 174.900 0.029 0.000 1.000 1322 G CA 0.294 45.417 45.100 0.038 0.000 0.664 1322 G HN 0.479 nan 8.290 nan 0.000 0.513 1323 A N 0.118 122.980 122.820 0.071 0.000 1.840 1323 A HA 0.395 4.715 4.320 0.001 0.000 0.214 1323 A C 1.933 179.206 177.584 -0.519 0.000 1.198 1323 A CA 2.339 54.383 52.037 0.012 0.000 0.608 1323 A CB -1.009 18.195 19.000 0.339 0.000 0.839 1323 A HN 1.499 nan 8.150 nan 0.000 0.443 1324 T N 0.241 114.402 114.554 -0.655 0.000 2.734 1324 T HA 0.390 4.741 4.350 0.001 0.000 0.314 1324 T C 0.354 174.822 174.700 -0.386 0.000 1.057 1324 T CA 0.092 61.742 62.100 -0.749 0.000 1.047 1324 T CB 0.517 69.120 68.868 -0.442 0.000 0.991 1324 T HN 0.695 nan 8.240 nan 0.000 0.540 1325 S N 0.677 116.195 115.700 -0.304 0.000 2.451 1325 S HA 0.306 4.776 4.470 0.001 0.000 0.301 1325 S C -0.161 174.339 174.600 -0.167 0.000 1.116 1325 S CA -1.091 56.998 58.200 -0.186 0.000 1.093 1325 S CB 0.736 63.854 63.200 -0.137 0.000 1.017 1325 S HN 0.677 nan 8.310 nan 0.000 0.482 1326 N N 2.415 121.030 118.700 -0.142 0.000 2.406 1326 N HA 0.168 4.908 4.740 0.001 0.000 0.274 1326 N C 1.270 176.724 175.510 -0.094 0.000 1.249 1326 N CA 0.212 53.181 53.050 -0.135 0.000 0.951 1326 N CB 0.671 39.092 38.487 -0.111 0.000 1.241 1326 N HN 0.797 nan 8.380 nan 0.000 0.485 1327 A N 4.927 127.702 122.820 -0.075 0.000 1.892 1327 A HA -0.213 4.108 4.320 0.001 0.000 0.218 1327 A C 2.124 179.834 177.584 0.209 0.000 1.188 1327 A CA 1.531 53.593 52.037 0.041 0.000 0.631 1327 A CB -0.331 18.753 19.000 0.140 0.000 0.822 1327 A HN 0.729 nan 8.150 nan 0.000 0.447 1328 K N -0.599 119.868 120.400 0.111 0.000 2.063 1328 K HA -0.168 4.152 4.320 0.001 0.000 0.208 1328 K C 2.082 178.719 176.600 0.061 0.000 1.048 1328 K CA 1.771 58.113 56.287 0.092 0.000 0.928 1328 K CB -0.165 32.328 32.500 -0.011 0.000 0.713 1328 K HN 0.646 nan 8.250 nan 0.000 0.442 1329 E N 0.144 120.342 120.200 -0.003 0.000 2.106 1329 E HA -0.182 4.169 4.350 0.001 0.000 0.192 1329 E C 1.850 178.423 176.600 -0.044 0.000 0.984 1329 E CA 0.983 57.362 56.400 -0.034 0.000 0.806 1329 E CB 0.132 29.798 29.700 -0.056 0.000 0.750 1329 E HN 0.320 nan 8.360 nan 0.000 0.458 1330 E N -0.296 119.869 120.200 -0.059 0.000 2.216 1330 E HA -0.080 4.271 4.350 0.001 0.000 0.192 1330 E C 1.597 178.105 176.600 -0.154 0.000 0.988 1330 E CA 0.295 56.618 56.400 -0.127 0.000 0.834 1330 E CB 0.022 29.611 29.700 -0.185 0.000 0.772 1330 E HN 0.233 nan 8.360 nan 0.000 0.479 1331 F N 0.569 120.465 119.950 -0.090 0.000 2.451 1331 F HA -0.081 4.446 4.527 0.001 0.000 0.299 1331 F C 2.097 177.826 175.800 -0.117 0.000 1.101 1331 F CA 0.704 58.648 58.000 -0.092 0.000 1.436 1331 F CB 0.199 39.147 39.000 -0.086 0.000 1.074 1331 F HN 0.002 nan 8.300 nan 0.000 0.553 1332 A N -0.512 122.330 122.820 0.038 0.000 2.275 1332 A HA 0.117 4.437 4.320 0.001 0.000 0.212 1332 A C 1.827 179.332 177.584 -0.132 0.000 1.201 1332 A CA 0.022 52.025 52.037 -0.056 0.000 0.843 1332 A CB -0.247 18.717 19.000 -0.061 0.000 0.873 1332 A HN 0.251 nan 8.150 nan 0.000 0.492 1333 R N -1.205 119.215 120.500 -0.133 0.000 2.397 1333 R HA 0.244 4.584 4.340 0.001 0.000 0.241 1333 R C 1.167 177.338 176.300 -0.215 0.000 0.914 1333 R CA 0.539 56.535 56.100 -0.175 0.000 1.071 1333 R CB 0.321 30.544 30.300 -0.129 0.000 1.116 1333 R HN 0.585 nan 8.270 nan 0.000 0.524 1334 G N 1.738 110.414 108.800 -0.208 0.000 2.176 1334 G HA2 -0.261 3.699 3.960 0.001 0.000 0.253 1334 G HA3 -0.261 3.699 3.960 0.001 0.000 0.253 1334 G C 0.130 174.995 174.900 -0.059 0.000 0.979 1334 G CA -0.261 44.708 45.100 -0.218 0.000 0.641 1334 G HN 0.103 nan 8.290 nan 0.000 0.530 1335 R N 1.340 121.774 120.500 -0.110 0.000 2.590 1335 R HA 0.358 4.698 4.340 0.001 0.000 0.274 1335 R C 0.630 176.779 176.300 -0.252 0.000 1.061 1335 R CA 0.201 56.215 56.100 -0.143 0.000 1.081 1335 R CB 0.338 30.518 30.300 -0.201 0.000 0.984 1335 R HN 0.639 nan 8.270 nan 0.000 0.448 1336 E N 3.332 123.436 120.200 -0.160 0.000 2.250 1336 E HA 0.302 4.653 4.350 0.001 0.000 0.269 1336 E C -2.231 174.236 176.600 -0.222 0.000 1.018 1336 E CA -2.028 54.279 56.400 -0.156 0.000 0.873 1336 E CB 0.756 30.447 29.700 -0.016 0.000 1.134 1336 E HN 0.213 nan 8.360 nan 0.000 0.403 1337 P HA -0.042 nan 4.420 nan 0.000 0.264 1337 P C 0.556 177.832 177.300 -0.040 0.000 1.193 1337 P CA 1.001 64.031 63.100 -0.116 0.000 0.763 1337 P CB 0.351 32.060 31.700 0.016 0.000 0.810 1338 G N 2.805 111.588 108.800 -0.028 0.000 2.205 1338 G HA2 -0.291 3.670 3.960 0.001 0.000 0.261 1338 G HA3 -0.291 3.670 3.960 0.001 0.000 0.261 1338 G C 0.363 175.312 174.900 0.082 0.000 0.980 1338 G CA 0.020 45.149 45.100 0.048 0.000 0.632 1338 G HN 0.568 nan 8.290 nan 0.000 0.533 1339 E N -0.164 120.051 120.200 0.025 0.000 2.989 1339 E HA 0.478 4.829 4.350 0.001 0.000 0.207 1339 E C 1.544 178.130 176.600 -0.024 0.000 0.989 1339 E CA -0.229 56.189 56.400 0.029 0.000 1.186 1339 E CB 0.163 29.879 29.700 0.026 0.000 1.141 1339 E HN 0.582 nan 8.360 nan 0.000 0.454 1340 M N -0.835 118.743 119.600 -0.036 0.000 2.313 1340 M HA 0.226 4.706 4.480 0.001 0.000 0.273 1340 M C 0.707 176.993 176.300 -0.024 0.000 1.049 1340 M CA 0.066 55.322 55.300 -0.074 0.000 1.004 1340 M CB 1.007 33.525 32.600 -0.138 0.000 1.461 1340 M HN -0.114 nan 8.290 nan 0.000 0.514 1341 S N 2.225 117.943 115.700 0.029 0.000 2.516 1341 S HA 0.473 4.943 4.470 0.001 0.000 0.268 1341 S C -0.543 174.101 174.600 0.073 0.000 1.251 1341 S CA -0.665 57.576 58.200 0.069 0.000 1.153 1341 S CB 0.127 63.400 63.200 0.122 0.000 1.009 1341 S HN 0.370 nan 8.310 nan 0.000 0.479 1342 R N 4.049 124.555 120.500 0.010 0.000 2.312 1342 R HA 0.344 4.684 4.340 0.001 0.000 0.310 1342 R C -2.394 173.844 176.300 -0.103 0.000 1.064 1342 R CA -1.884 54.191 56.100 -0.043 0.000 0.983 1342 R CB 0.932 31.191 30.300 -0.068 0.000 1.139 1342 R HN 0.247 nan 8.270 nan 0.000 0.536 1343 P HA -0.121 nan 4.420 nan 0.000 0.222 1343 P C 0.521 177.541 177.300 -0.466 0.000 1.147 1343 P CA 1.150 64.101 63.100 -0.249 0.000 0.790 1343 P CB 0.456 32.011 31.700 -0.242 0.000 0.780 1344 T N -6.812 107.424 114.554 -0.530 0.000 3.016 1344 T HA 0.166 4.517 4.350 0.001 0.000 0.271 1344 T C 0.788 175.255 174.700 -0.387 0.000 0.968 1344 T CA -0.250 61.497 62.100 -0.587 0.000 0.891 1344 T CB -0.572 67.745 68.868 -0.920 0.000 1.149 1344 T HN -0.089 nan 8.240 nan 0.000 0.524 1345 S N 1.732 117.271 115.700 -0.268 0.000 2.553 1345 S HA 0.040 4.510 4.470 0.001 0.000 0.271 1345 S C 1.586 176.105 174.600 -0.135 0.000 1.362 1345 S CA 0.371 58.471 58.200 -0.167 0.000 1.010 1345 S CB 0.292 63.429 63.200 -0.105 0.000 0.865 1345 S HN 0.439 nan 8.310 nan 0.000 0.543 1346 T N 2.450 116.954 114.554 -0.082 0.000 2.915 1346 T HA -0.057 4.293 4.350 0.001 0.000 0.269 1346 T C 1.670 176.340 174.700 -0.050 0.000 1.071 1346 T CA 1.707 63.773 62.100 -0.057 0.000 1.132 1346 T CB -0.438 68.419 68.868 -0.017 0.000 0.878 1346 T HN 0.803 nan 8.240 nan 0.000 0.479 1347 T N 1.894 116.422 114.554 -0.044 0.000 3.100 1347 T HA 0.073 4.424 4.350 0.001 0.000 0.253 1347 T C 0.831 175.500 174.700 -0.052 0.000 1.118 1347 T CA -0.350 61.725 62.100 -0.041 0.000 1.058 1347 T CB -0.288 68.563 68.868 -0.028 0.000 0.953 1347 T HN 0.560 nan 8.240 nan 0.000 0.515 1348 R N 3.125 123.586 120.500 -0.065 0.000 2.504 1348 R HA 0.052 4.392 4.340 0.001 0.000 0.291 1348 R C 0.374 176.645 176.300 -0.049 0.000 0.974 1348 R CA 0.520 56.583 56.100 -0.062 0.000 1.077 1348 R CB -0.030 30.219 30.300 -0.085 0.000 0.926 1348 R HN 0.259 nan 8.270 nan 0.000 0.407 1349 N N 1.480 120.155 118.700 -0.042 0.000 2.129 1349 N HA 0.164 4.905 4.740 0.001 0.000 0.222 1349 N C -0.112 175.375 175.510 -0.039 0.000 1.303 1349 N CA 0.262 53.286 53.050 -0.042 0.000 0.897 1349 N CB 1.409 39.864 38.487 -0.053 0.000 1.093 1349 N HN 0.778 nan 8.380 nan 0.000 0.501 1350 G N 0.027 108.810 108.800 -0.029 0.000 2.361 1350 G HA2 0.367 4.328 3.960 0.001 0.000 0.299 1350 G HA3 0.367 4.328 3.960 0.001 0.000 0.299 1350 G C -1.246 173.651 174.900 -0.005 0.000 1.544 1350 G CA -0.806 44.270 45.100 -0.040 0.000 0.860 1350 G HN 0.227 nan 8.290 nan 0.000 0.610 1351 F N -0.040 119.896 119.950 -0.022 0.000 2.291 1351 F HA 0.925 5.452 4.527 0.001 0.000 0.305 1351 F C 0.136 175.918 175.800 -0.031 0.000 1.171 1351 F CA -1.654 56.337 58.000 -0.015 0.000 1.090 1351 F CB 0.966 39.979 39.000 0.022 0.000 1.436 1351 F HN 0.497 nan 8.300 nan 0.000 0.509 1352 M N 2.107 122.004 119.600 0.496 0.000 2.181 1352 M HA 0.325 4.806 4.480 0.001 0.000 0.323 1352 M C -0.831 175.684 176.300 0.359 0.000 1.004 1352 M CA -0.851 54.601 55.300 0.253 0.000 0.941 1352 M CB 0.747 33.449 32.600 0.170 0.000 1.579 1352 M HN 0.605 nan 8.290 nan 0.000 0.427 1353 E N 1.950 122.248 120.200 0.165 0.000 2.392 1353 E HA 0.306 4.657 4.350 0.001 0.000 0.264 1353 E C -1.022 175.622 176.600 0.073 0.000 1.024 1353 E CA 0.267 56.776 56.400 0.182 0.000 0.903 1353 E CB 0.894 30.739 29.700 0.242 0.000 0.963 1353 E HN 0.694 nan 8.360 nan 0.000 0.432 1354 S N 1.300 117.074 115.700 0.122 0.000 2.565 1354 S HA 0.336 4.806 4.470 0.001 0.000 0.269 1354 S C -1.546 173.148 174.600 0.157 0.000 1.153 1354 S CA -0.779 57.483 58.200 0.104 0.000 0.835 1354 S CB 1.195 64.498 63.200 0.172 0.000 1.122 1354 S HN 0.476 nan 8.310 nan 0.000 0.462 1355 Q N 1.319 121.219 119.800 0.166 0.000 2.416 1355 Q HA 0.896 5.237 4.340 0.001 0.000 0.279 1355 Q C 0.051 176.106 176.000 0.092 0.000 1.101 1355 Q CA -0.783 55.121 55.803 0.168 0.000 0.830 1355 Q CB 1.786 30.670 28.738 0.244 0.000 1.402 1355 Q HN 1.251 nan 8.270 nan 0.000 0.445 1356 G N -0.588 108.217 108.800 0.008 0.000 2.343 1356 G HA2 0.223 4.183 3.960 0.001 0.000 0.465 1356 G HA3 0.223 4.183 3.960 0.001 0.000 0.465 1356 G C -0.772 174.226 174.900 0.165 0.000 1.282 1356 G CA -0.488 44.594 45.100 -0.029 0.000 0.996 1356 G HN 1.552 nan 8.290 nan 0.000 0.521 1357 C N -1.286 118.186 119.300 0.288 0.000 3.318 1357 C HA 1.124 5.584 4.460 0.001 0.000 0.329 1357 C C 0.383 175.666 174.990 0.489 0.000 1.449 1357 C CA 0.237 59.450 59.018 0.325 0.000 1.397 1357 C CB 1.423 29.390 27.740 0.379 0.000 1.810 1357 C HN 2.752 nan 8.230 nan 0.000 0.449 1358 G N 0.471 109.483 108.800 0.354 0.000 2.760 1358 G HA2 0.631 4.591 3.960 0.001 0.000 0.296 1358 G HA3 0.631 4.591 3.960 0.001 0.000 0.296 1358 G C -1.783 173.257 174.900 0.234 0.000 1.427 1358 G CA -0.253 45.069 45.100 0.371 0.000 1.109 1358 G HN 1.201 nan 8.290 nan 0.000 0.553 1359 V N 1.972 122.002 119.914 0.193 0.000 3.001 1359 V HA 0.798 4.918 4.120 0.001 0.000 0.314 1359 V C -0.825 175.330 176.094 0.101 0.000 1.099 1359 V CA -0.844 61.546 62.300 0.150 0.000 0.989 1359 V CB 2.159 34.079 31.823 0.162 0.000 1.040 1359 V HN 0.926 nan 8.190 nan 0.000 0.434 1360 Q N 1.801 121.651 119.800 0.084 0.000 2.281 1360 Q HA 0.571 4.912 4.340 0.001 0.000 0.263 1360 Q C -1.317 174.722 176.000 0.065 0.000 0.989 1360 Q CA -0.591 55.241 55.803 0.048 0.000 0.852 1360 Q CB 2.146 30.902 28.738 0.030 0.000 1.337 1360 Q HN 0.614 nan 8.270 nan 0.000 0.418 1361 V N 4.467 124.424 119.914 0.072 0.000 2.498 1361 V HA 0.629 4.749 4.120 0.001 0.000 0.279 1361 V C -0.161 175.984 176.094 0.085 0.000 1.048 1361 V CA -0.371 61.981 62.300 0.087 0.000 0.967 1361 V CB 0.525 32.425 31.823 0.129 0.000 0.988 1361 V HN 0.780 nan 8.190 nan 0.000 0.473 1362 I N 4.544 125.157 120.570 0.072 0.000 2.603 1362 I HA 0.733 4.903 4.170 0.001 0.000 0.300 1362 I C -0.555 175.603 176.117 0.067 0.000 1.017 1362 I CA -0.927 60.420 61.300 0.078 0.000 1.098 1362 I CB 2.220 40.271 38.000 0.085 0.000 1.279 1362 I HN 0.644 nan 8.210 nan 0.000 0.437 1363 M N 2.483 122.130 119.600 0.078 0.000 2.667 1363 M HA 0.394 4.874 4.480 0.001 0.000 0.286 1363 M C -0.493 175.846 176.300 0.065 0.000 1.270 1363 M CA -0.671 54.672 55.300 0.071 0.000 0.826 1363 M CB 2.919 35.576 32.600 0.095 0.000 1.743 1363 M HN 0.620 nan 8.290 nan 0.000 0.460 1364 T N 1.235 115.822 114.554 0.054 0.000 2.901 1364 T HA 0.188 4.538 4.350 0.001 0.000 0.301 1364 T C 1.145 175.878 174.700 0.054 0.000 1.012 1364 T CA 0.265 62.395 62.100 0.050 0.000 1.135 1364 T CB 1.233 70.125 68.868 0.041 0.000 0.936 1364 T HN 0.738 nan 8.240 nan 0.000 0.539 1365 A N 3.296 126.153 122.820 0.062 0.000 1.927 1365 A HA -0.234 4.086 4.320 0.001 0.000 0.220 1365 A C 2.241 179.844 177.584 0.030 0.000 1.185 1365 A CA 1.815 53.880 52.037 0.047 0.000 0.639 1365 A CB -0.696 18.353 19.000 0.082 0.000 0.820 1365 A HN 0.924 nan 8.150 nan 0.000 0.451 1366 Q N -1.021 118.803 119.800 0.040 0.000 1.927 1366 Q HA -0.204 4.137 4.340 0.001 0.000 0.210 1366 Q C 2.175 178.191 176.000 0.027 0.000 1.001 1366 Q CA 1.610 57.435 55.803 0.035 0.000 0.862 1366 Q CB -0.482 28.280 28.738 0.040 0.000 0.934 1366 Q HN 0.645 nan 8.270 nan 0.000 0.420 1367 L N 0.471 121.714 121.223 0.034 0.000 2.089 1367 L HA -0.270 4.070 4.340 0.001 0.000 0.213 1367 L C 2.204 179.064 176.870 -0.017 0.000 1.079 1367 L CA 1.950 56.802 54.840 0.020 0.000 0.758 1367 L CB -0.920 41.176 42.059 0.062 0.000 0.891 1367 L HN 0.304 nan 8.230 nan 0.000 0.433 1368 A N 0.158 122.990 122.820 0.019 0.000 1.851 1368 A HA -0.236 4.084 4.320 0.001 0.000 0.216 1368 A C 2.184 179.803 177.584 0.059 0.000 1.195 1368 A CA 1.938 53.997 52.037 0.036 0.000 0.622 1368 A CB -0.816 18.209 19.000 0.042 0.000 0.831 1368 A HN 0.500 nan 8.150 nan 0.000 0.444 1369 L N -0.859 120.377 121.223 0.022 0.000 2.093 1369 L HA -0.152 4.188 4.340 0.001 0.000 0.208 1369 L C 2.627 179.567 176.870 0.116 0.000 1.085 1369 L CA 1.610 56.475 54.840 0.042 0.000 0.755 1369 L CB -0.495 41.508 42.059 -0.093 0.000 0.904 1369 L HN 0.647 nan 8.230 nan 0.000 0.435 1370 E N 0.559 120.772 120.200 0.021 0.000 2.077 1370 E HA -0.250 4.101 4.350 0.001 0.000 0.193 1370 E C 2.312 178.820 176.600 -0.153 0.000 0.989 1370 E CA 1.376 57.768 56.400 -0.014 0.000 0.800 1370 E CB -0.028 29.667 29.700 -0.008 0.000 0.746 1370 E HN 0.432 nan 8.360 nan 0.000 0.452 1371 M N -0.612 118.786 119.600 -0.337 0.000 2.156 1371 M HA 0.037 4.518 4.480 0.001 0.000 0.264 1371 M C 1.074 177.261 176.300 -0.189 0.000 1.067 1371 M CA 1.149 56.088 55.300 -0.601 0.000 1.131 1371 M CB 0.171 32.416 32.600 -0.592 0.000 1.368 1371 M HN 0.333 nan 8.290 nan 0.000 0.416 1372 G N 1.894 110.695 108.800 0.001 0.000 2.545 1372 G HA2 -0.087 3.873 3.960 0.001 0.000 0.279 1372 G HA3 -0.087 3.873 3.960 0.001 0.000 0.279 1372 G C -0.412 174.478 174.900 -0.017 0.000 1.131 1372 G CA -0.030 45.101 45.100 0.052 0.000 1.100 1372 G HN 0.474 nan 8.290 nan 0.000 0.525 1373 V N -1.783 118.174 119.914 0.073 0.000 2.815 1373 V HA 0.931 5.052 4.120 0.001 0.000 0.314 1373 V C -1.793 174.277 176.094 -0.038 0.000 1.064 1373 V CA -3.035 59.235 62.300 -0.050 0.000 0.952 1373 V CB 2.000 33.797 31.823 -0.043 0.000 1.020 1373 V HN 0.183 nan 8.190 nan 0.000 0.439 1374 P HA 0.315 nan 4.420 nan 0.000 0.269 1374 P C -0.723 176.539 177.300 -0.063 0.000 1.211 1374 P CA 0.286 63.169 63.100 -0.363 0.000 0.781 1374 P CB 0.290 31.424 31.700 -0.944 0.000 0.877 1375 I N 1.614 122.190 120.570 0.009 0.000 2.468 1375 I HA 0.203 4.373 4.170 0.001 0.000 0.284 1375 I C 0.261 176.360 176.117 -0.031 0.000 1.038 1375 I CA -0.402 60.934 61.300 0.060 0.000 1.083 1375 I CB 1.490 39.549 38.000 0.099 0.000 1.223 1375 I HN 0.371 nan 8.210 nan 0.000 0.443 1376 Y N 4.404 124.703 120.300 -0.002 0.000 2.475 1376 Y HA 0.299 4.850 4.550 0.001 0.000 0.289 1376 Y C 1.503 177.368 175.900 -0.058 0.000 1.121 1376 Y CA 0.599 58.680 58.100 -0.032 0.000 1.257 1376 Y CB 0.592 39.030 38.460 -0.037 0.000 1.026 1376 Y HN 0.650 nan 8.280 nan 0.000 0.555 1377 G N -0.717 108.132 108.800 0.082 0.000 2.328 1377 G HA2 0.382 4.342 3.960 0.001 0.000 0.295 1377 G HA3 0.382 4.342 3.960 0.001 0.000 0.295 1377 G C -1.939 172.925 174.900 -0.060 0.000 1.413 1377 G CA -1.003 44.099 45.100 0.003 0.000 0.817 1377 G HN -0.103 nan 8.290 nan 0.000 0.546 1378 I N 0.950 121.421 120.570 -0.165 0.000 2.355 1378 I HA 0.295 4.466 4.170 0.001 0.000 0.288 1378 I C 0.225 176.232 176.117 -0.182 0.000 0.999 1378 I CA -0.988 60.181 61.300 -0.219 0.000 1.163 1378 I CB 1.994 39.689 38.000 -0.509 0.000 1.316 1378 I HN 0.173 nan 8.210 nan 0.000 0.454 1379 V N 7.044 126.916 119.914 -0.070 0.000 2.393 1379 V HA -0.000 4.120 4.120 0.001 0.000 0.257 1379 V C 1.318 177.349 176.094 -0.107 0.000 1.040 1379 V CA 0.446 62.683 62.300 -0.105 0.000 1.097 1379 V CB 0.236 32.037 31.823 -0.035 0.000 1.101 1379 V HN 1.005 nan 8.190 nan 0.000 0.479 1380 A N 5.368 128.070 122.820 -0.197 0.000 1.872 1380 A HA 0.143 4.463 4.320 0.001 0.000 0.214 1380 A C 0.952 178.498 177.584 -0.063 0.000 1.187 1380 A CA 1.299 53.284 52.037 -0.087 0.000 0.614 1380 A CB 0.112 18.996 19.000 -0.193 0.000 0.826 1380 A HN 0.700 nan 8.150 nan 0.000 0.442 1381 M N -0.712 118.739 119.600 -0.249 0.000 2.471 1381 M HA 0.467 4.947 4.480 0.001 0.000 0.284 1381 M C -1.869 174.201 176.300 -0.382 0.000 1.203 1381 M CA -0.103 55.034 55.300 -0.272 0.000 0.915 1381 M CB 2.065 34.558 32.600 -0.178 0.000 1.734 1381 M HN 0.349 nan 8.290 nan 0.000 0.485 1382 T N 0.198 114.510 114.554 -0.403 0.000 2.900 1382 T HA 0.915 5.265 4.350 0.001 0.000 0.303 1382 T C -0.983 173.636 174.700 -0.135 0.000 1.142 1382 T CA -0.279 61.650 62.100 -0.286 0.000 1.007 1382 T CB 1.784 70.451 68.868 -0.334 0.000 1.156 1382 T HN 1.099 nan 8.240 nan 0.000 0.490 1383 S N 0.105 115.740 115.700 -0.109 0.000 2.565 1383 S HA 0.739 5.209 4.470 0.001 0.000 0.274 1383 S C -0.738 173.809 174.600 -0.087 0.000 1.144 1383 S CA -0.834 57.329 58.200 -0.062 0.000 0.849 1383 S CB 1.205 64.379 63.200 -0.043 0.000 1.103 1383 S HN 1.453 nan 8.310 nan 0.000 0.455 1384 T N -1.080 113.436 114.554 -0.062 0.000 2.912 1384 T HA 0.945 5.295 4.350 0.001 0.000 0.288 1384 T C -0.332 174.330 174.700 -0.063 0.000 1.030 1384 T CA -0.637 61.417 62.100 -0.077 0.000 1.020 1384 T CB 1.519 70.355 68.868 -0.053 0.000 1.056 1384 T HN 1.980 nan 8.240 nan 0.000 0.480 1385 A N 1.653 124.428 122.820 -0.074 0.000 2.513 1385 A HA 0.686 5.006 4.320 0.001 0.000 0.296 1385 A C -0.081 177.484 177.584 -0.032 0.000 1.052 1385 A CA -0.942 51.065 52.037 -0.049 0.000 0.714 1385 A CB 1.143 20.110 19.000 -0.054 0.000 1.279 1385 A HN 0.870 nan 8.150 nan 0.000 0.397 1386 T N 1.449 115.996 114.554 -0.011 0.000 2.881 1386 T HA 0.572 4.922 4.350 0.001 0.000 0.278 1386 T C -0.238 174.471 174.700 0.015 0.000 0.982 1386 T CA -0.369 61.735 62.100 0.006 0.000 0.989 1386 T CB 0.686 69.559 68.868 0.008 0.000 1.058 1386 T HN 0.671 nan 8.240 nan 0.000 0.529 1387 D N -0.142 120.273 120.400 0.024 0.000 2.589 1387 D HA 0.338 4.978 4.640 0.001 0.000 0.268 1387 D C 0.460 176.769 176.300 0.016 0.000 1.182 1387 D CA -0.728 53.287 54.000 0.025 0.000 1.087 1387 D CB 0.531 41.353 40.800 0.036 0.000 1.186 1387 D HN 0.553 nan 8.370 nan 0.000 0.620 1388 K N -0.150 120.258 120.400 0.013 0.000 2.273 1388 K HA 0.341 4.662 4.320 0.001 0.000 0.240 1388 K C 0.312 176.918 176.600 0.010 0.000 1.056 1388 K CA -0.608 55.684 56.287 0.008 0.000 0.910 1388 K CB 0.321 32.824 32.500 0.005 0.000 1.196 1388 K HN 0.289 nan 8.250 nan 0.000 0.509 1389 I N 0.472 121.047 120.570 0.008 0.000 2.752 1389 I HA 0.105 4.275 4.170 0.001 0.000 0.287 1389 I C 0.727 176.850 176.117 0.010 0.000 1.188 1389 I CA 1.019 62.324 61.300 0.009 0.000 1.427 1389 I CB 0.544 38.549 38.000 0.007 0.000 1.365 1389 I HN 0.911 nan 8.210 nan 0.000 0.585 1390 G N 5.098 113.906 108.800 0.012 0.000 2.488 1390 G HA2 0.414 4.374 3.960 0.001 0.000 0.301 1390 G HA3 0.414 4.374 3.960 0.001 0.000 0.301 1390 G C -0.392 174.517 174.900 0.015 0.000 1.339 1390 G CA -0.603 44.505 45.100 0.012 0.000 0.803 1390 G HN 0.415 nan 8.290 nan 0.000 0.482 1391 R N -0.510 120.000 120.500 0.016 0.000 2.531 1391 R HA 0.278 4.618 4.340 0.001 0.000 0.316 1391 R C 0.651 176.966 176.300 0.025 0.000 0.955 1391 R CA -0.154 55.958 56.100 0.020 0.000 1.120 1391 R CB 0.899 31.210 30.300 0.017 0.000 1.361 1391 R HN 0.393 nan 8.270 nan 0.000 0.534 1392 S N 1.137 116.850 115.700 0.022 0.000 2.411 1392 S HA 0.198 4.668 4.470 0.001 0.000 0.294 1392 S C 1.397 176.015 174.600 0.029 0.000 1.115 1392 S CA -0.376 57.839 58.200 0.025 0.000 1.071 1392 S CB 0.922 64.129 63.200 0.012 0.000 0.967 1392 S HN -0.055 nan 8.310 nan 0.000 0.488 1393 V N 7.474 127.421 119.914 0.055 0.000 2.515 1393 V HA -0.008 4.112 4.120 0.001 0.000 0.250 1393 V C -1.077 175.056 176.094 0.066 0.000 1.058 1393 V CA 1.352 63.702 62.300 0.083 0.000 1.064 1393 V CB -1.042 30.859 31.823 0.130 0.000 0.675 1393 V HN 0.684 nan 8.190 nan 0.000 0.461 1394 P HA 0.207 nan 4.420 nan 0.000 0.252 1394 P C 0.400 177.543 177.300 -0.261 0.000 1.211 1394 P CA 0.450 63.375 63.100 -0.292 0.000 0.824 1394 P CB 0.070 31.563 31.700 -0.344 0.000 1.077 1395 A N 2.275 125.027 122.820 -0.112 0.000 2.540 1395 A HA 0.196 4.517 4.320 0.001 0.000 0.264 1395 A C -1.942 175.594 177.584 -0.081 0.000 1.080 1395 A CA -0.433 51.554 52.037 -0.084 0.000 0.776 1395 A CB -1.271 17.706 19.000 -0.038 0.000 1.011 1395 A HN 0.123 nan 8.150 nan 0.000 0.514 1396 P HA 0.417 nan 4.420 nan 0.000 0.271 1396 P C 0.537 177.788 177.300 -0.082 0.000 1.216 1396 P CA 0.333 63.367 63.100 -0.111 0.000 0.771 1396 P CB 1.308 32.862 31.700 -0.242 0.000 0.864 1397 G N 1.354 110.156 108.800 0.003 0.000 3.105 1397 G HA2 0.358 4.319 3.960 0.001 0.000 0.277 1397 G HA3 0.358 4.319 3.960 0.001 0.000 0.277 1397 G C -1.050 173.917 174.900 0.111 0.000 1.375 1397 G CA -0.618 44.500 45.100 0.030 0.000 0.962 1397 G HN 0.394 nan 8.290 nan 0.000 0.541 1398 Q N 0.246 120.097 119.800 0.085 0.000 2.735 1398 Q HA 0.265 4.606 4.340 0.001 0.000 0.380 1398 Q C 1.457 177.504 176.000 0.079 0.000 1.060 1398 Q CA -0.151 55.715 55.803 0.105 0.000 1.025 1398 Q CB 0.993 29.761 28.738 0.049 0.000 1.350 1398 Q HN 0.641 nan 8.270 nan 0.000 0.424 1399 G N -0.076 108.782 108.800 0.097 0.000 2.394 1399 G HA2 -0.172 3.789 3.960 0.001 0.000 0.214 1399 G HA3 -0.172 3.789 3.960 0.001 0.000 0.214 1399 G C 1.280 176.182 174.900 0.003 0.000 1.176 1399 G CA 0.393 45.514 45.100 0.035 0.000 0.786 1399 G HN 0.357 nan 8.290 nan 0.000 0.533 1400 V N 1.436 121.349 119.914 -0.002 0.000 3.026 1400 V HA -0.062 4.058 4.120 0.001 0.000 0.265 1400 V C 2.552 178.622 176.094 -0.041 0.000 1.121 1400 V CA 0.688 62.943 62.300 -0.074 0.000 1.142 1400 V CB -0.530 31.182 31.823 -0.185 0.000 0.730 1400 V HN 0.332 nan 8.190 nan 0.000 0.503 1401 L N 1.560 122.780 121.223 -0.005 0.000 2.127 1401 L HA -0.153 4.188 4.340 0.001 0.000 0.211 1401 L C 2.539 179.382 176.870 -0.046 0.000 1.089 1401 L CA 2.314 57.139 54.840 -0.025 0.000 0.757 1401 L CB -0.542 41.503 42.059 -0.024 0.000 0.899 1401 L HN 0.679 nan 8.230 nan 0.000 0.434 1402 T N -4.918 109.611 114.554 -0.041 0.000 3.215 1402 T HA -0.072 4.278 4.350 0.001 0.000 0.254 1402 T C 1.453 176.131 174.700 -0.035 0.000 1.149 1402 T CA 0.756 62.832 62.100 -0.039 0.000 1.042 1402 T CB -0.708 68.143 68.868 -0.029 0.000 0.966 1402 T HN 0.488 nan 8.240 nan 0.000 0.534 1403 T N -2.007 112.518 114.554 -0.050 0.000 3.148 1403 T HA 0.494 4.844 4.350 0.001 0.000 0.253 1403 T C 1.400 176.060 174.700 -0.067 0.000 1.134 1403 T CA 0.181 62.244 62.100 -0.061 0.000 1.051 1403 T CB -0.170 68.644 68.868 -0.090 0.000 0.959 1403 T HN 0.461 nan 8.240 nan 0.000 0.525 1404 A N 1.773 124.568 122.820 -0.042 0.000 2.589 1404 A HA 0.378 4.699 4.320 0.001 0.000 0.283 1404 A C 0.867 178.480 177.584 0.048 0.000 1.187 1404 A CA -0.856 51.176 52.037 -0.009 0.000 0.957 1404 A CB -0.108 18.891 19.000 -0.001 0.000 1.175 1404 A HN 0.644 nan 8.150 nan 0.000 0.532 1405 R N 0.983 121.489 120.500 0.010 0.000 2.449 1405 R HA 0.407 4.748 4.340 0.001 0.000 0.296 1405 R C -0.447 175.897 176.300 0.073 0.000 1.047 1405 R CA 0.291 56.405 56.100 0.023 0.000 1.018 1405 R CB 0.277 30.576 30.300 -0.001 0.000 0.962 1405 R HN 0.364 nan 8.270 nan 0.000 0.428 1406 E N 2.905 123.194 120.200 0.148 0.000 2.451 1406 E HA 0.121 4.472 4.350 0.001 0.000 0.295 1406 E C -1.779 174.912 176.600 0.151 0.000 0.966 1406 E CA -0.760 55.711 56.400 0.118 0.000 0.808 1406 E CB 1.743 31.482 29.700 0.063 0.000 1.242 1406 E HN 0.680 nan 8.360 nan 0.000 0.412 1407 K N 3.313 123.764 120.400 0.084 0.000 2.484 1407 K HA 0.276 4.597 4.320 0.001 0.000 0.226 1407 K C -0.960 175.662 176.600 0.036 0.000 1.031 1407 K CA -0.420 55.908 56.287 0.067 0.000 1.026 1407 K CB 0.811 33.346 32.500 0.058 0.000 1.412 1407 K HN 0.534 nan 8.250 nan 0.000 0.492 1408 S N 0.929 116.634 115.700 0.008 0.000 2.545 1408 S HA 0.367 4.837 4.470 0.001 0.000 0.275 1408 S C 0.956 175.556 174.600 -0.001 0.000 1.299 1408 S CA -0.823 57.379 58.200 0.003 0.000 1.048 1408 S CB 1.670 64.859 63.200 -0.019 0.000 0.938 1408 S HN 0.560 nan 8.310 nan 0.000 0.496 1409 G N 1.756 110.567 108.800 0.018 0.000 2.913 1409 G HA2 0.034 3.995 3.960 0.001 0.000 0.145 1409 G HA3 0.034 3.995 3.960 0.001 0.000 0.145 1409 G C 0.805 175.683 174.900 -0.036 0.000 1.801 1409 G CA -0.233 44.877 45.100 0.016 0.000 1.033 1409 G HN 0.775 nan 8.290 nan 0.000 0.495 1410 N N -0.872 117.792 118.700 -0.059 0.000 2.409 1410 N HA 0.106 4.846 4.740 0.001 0.000 0.174 1410 N C -0.482 174.737 175.510 -0.486 0.000 1.037 1410 N CA 0.422 53.291 53.050 -0.301 0.000 0.898 1410 N CB 0.602 38.839 38.487 -0.417 0.000 1.010 1410 N HN 0.202 nan 8.380 nan 0.000 0.445 1411 F N 1.573 121.515 119.950 -0.013 0.000 2.507 1411 F HA 0.432 4.960 4.527 0.001 0.000 0.325 1411 F C -2.044 173.743 175.800 -0.022 0.000 1.116 1411 F CA -2.307 55.682 58.000 -0.018 0.000 0.930 1411 F CB 1.044 40.031 39.000 -0.022 0.000 1.146 1411 F HN -0.238 nan 8.300 nan 0.000 0.447 1412 P HA 0.019 nan 4.420 nan 0.000 0.266 1412 P C -0.283 177.050 177.300 0.055 0.000 1.195 1412 P CA -0.171 62.973 63.100 0.072 0.000 0.768 1412 P CB 0.672 32.406 31.700 0.055 0.000 0.838 1413 S N 3.875 119.597 115.700 0.038 0.000 2.546 1413 S HA 0.041 4.512 4.470 0.001 0.000 0.290 1413 S C -1.224 173.329 174.600 -0.077 0.000 1.290 1413 S CA -0.869 57.330 58.200 -0.001 0.000 1.069 1413 S CB -0.194 63.039 63.200 0.054 0.000 0.846 1413 S HN 0.244 nan 8.310 nan 0.000 0.495 1414 P HA -0.149 nan 4.420 nan 0.000 0.217 1414 P C 1.206 178.292 177.300 -0.358 0.000 1.151 1414 P CA 1.322 64.113 63.100 -0.516 0.000 0.849 1414 P CB -0.028 30.923 31.700 -1.248 0.000 0.787 1415 L N -2.038 119.081 121.223 -0.173 0.000 2.265 1415 L HA -0.131 4.210 4.340 0.001 0.000 0.215 1415 L C 2.224 179.080 176.870 -0.024 0.000 1.117 1415 L CA 0.917 55.763 54.840 0.010 0.000 0.782 1415 L CB -0.850 41.336 42.059 0.211 0.000 0.914 1415 L HN -0.030 nan 8.230 nan 0.000 0.441 1416 L N -1.121 120.142 121.223 0.066 0.000 2.291 1416 L HA -0.069 4.271 4.340 0.001 0.000 0.214 1416 L C 0.927 177.821 176.870 0.040 0.000 1.120 1416 L CA 0.380 55.280 54.840 0.100 0.000 0.799 1416 L CB -0.356 41.761 42.059 0.098 0.000 0.925 1416 L HN 0.169 nan 8.230 nan 0.000 0.446 1417 D N 0.795 121.201 120.400 0.010 0.000 2.336 1417 D HA 0.018 4.658 4.640 0.001 0.000 0.249 1417 D C 1.071 177.380 176.300 0.014 0.000 1.213 1417 D CA 0.071 54.083 54.000 0.021 0.000 0.870 1417 D CB 1.366 42.182 40.800 0.026 0.000 1.076 1417 D HN 0.105 nan 8.370 nan 0.000 0.483 1418 I N 4.120 124.689 120.570 -0.002 0.000 2.454 1418 I HA -0.268 3.902 4.170 0.001 0.000 0.254 1418 I C 1.672 177.766 176.117 -0.039 0.000 1.156 1418 I CA 1.086 62.365 61.300 -0.035 0.000 1.433 1418 I CB 0.273 38.265 38.000 -0.014 0.000 1.082 1418 I HN 0.317 nan 8.210 nan 0.000 0.432 1419 K N -0.096 120.298 120.400 -0.009 0.000 2.057 1419 K HA -0.240 4.081 4.320 0.001 0.000 0.206 1419 K C 2.103 178.683 176.600 -0.033 0.000 1.050 1419 K CA 1.825 58.098 56.287 -0.023 0.000 0.935 1419 K CB -0.559 31.939 32.500 -0.003 0.000 0.715 1419 K HN 0.370 nan 8.250 nan 0.000 0.439 1420 Y N 2.337 122.572 120.300 -0.109 0.000 2.165 1420 Y HA -0.256 4.295 4.550 0.001 0.000 0.286 1420 Y C 2.096 177.870 175.900 -0.211 0.000 1.155 1420 Y CA 1.547 59.569 58.100 -0.129 0.000 1.164 1420 Y CB 0.046 38.451 38.460 -0.092 0.000 0.978 1420 Y HN -0.069 nan 8.280 nan 0.000 0.513 1421 R N -0.275 120.142 120.500 -0.140 0.000 2.092 1421 R HA -0.137 4.203 4.340 0.001 0.000 0.231 1421 R C 2.425 178.481 176.300 -0.405 0.000 1.119 1421 R CA 1.050 56.950 56.100 -0.334 0.000 0.970 1421 R CB -0.320 29.864 30.300 -0.194 0.000 0.864 1421 R HN 0.260 nan 8.270 nan 0.000 0.440 1422 R N 1.097 121.448 120.500 -0.249 0.000 2.115 1422 R HA -0.153 4.188 4.340 0.001 0.000 0.239 1422 R C 2.236 178.375 176.300 -0.268 0.000 1.133 1422 R CA 1.660 57.636 56.100 -0.207 0.000 0.935 1422 R CB -0.436 29.788 30.300 -0.127 0.000 0.853 1422 R HN 0.265 nan 8.270 nan 0.000 0.433 1423 R N 0.234 120.556 120.500 -0.296 0.000 2.113 1423 R HA -0.180 4.161 4.340 0.001 0.000 0.231 1423 R C 2.351 178.407 176.300 -0.406 0.000 1.129 1423 R CA 1.838 57.754 56.100 -0.306 0.000 0.915 1423 R CB -0.389 29.721 30.300 -0.316 0.000 0.837 1423 R HN 0.324 nan 8.270 nan 0.000 0.430 1424 Q N 0.530 119.937 119.800 -0.654 0.000 2.152 1424 Q HA -0.208 4.132 4.340 0.001 0.000 0.206 1424 Q C 2.205 177.767 176.000 -0.730 0.000 0.985 1424 Q CA 1.258 56.571 55.803 -0.818 0.000 0.863 1424 Q CB -0.452 27.439 28.738 -1.413 0.000 0.904 1424 Q HN 0.271 nan 8.270 nan 0.000 0.422 1425 L N 1.182 121.999 121.223 -0.677 0.000 1.948 1425 L HA -0.168 4.172 4.340 0.001 0.000 0.212 1425 L C 1.962 178.723 176.870 -0.182 0.000 1.074 1425 L CA 1.985 56.622 54.840 -0.338 0.000 0.753 1425 L CB -0.516 41.413 42.059 -0.216 0.000 0.888 1425 L HN 0.058 nan 8.230 nan 0.000 0.432 1426 E N -0.478 119.622 120.200 -0.166 0.000 2.409 1426 E HA -0.168 4.182 4.350 0.001 0.000 0.198 1426 E C 2.028 178.569 176.600 -0.099 0.000 1.024 1426 E CA 0.384 56.722 56.400 -0.102 0.000 0.861 1426 E CB -0.149 29.500 29.700 -0.086 0.000 0.788 1426 E HN 0.407 nan 8.360 nan 0.000 0.521 1427 L N 0.823 121.958 121.223 -0.146 0.000 1.976 1427 L HA -0.169 4.172 4.340 0.001 0.000 0.209 1427 L C 1.952 178.780 176.870 -0.070 0.000 1.071 1427 L CA 1.814 56.584 54.840 -0.117 0.000 0.746 1427 L CB -0.409 41.549 42.059 -0.170 0.000 0.890 1427 L HN 0.131 nan 8.230 nan 0.000 0.432 1428 R N -0.175 120.284 120.500 -0.068 0.000 2.189 1428 R HA -0.081 4.259 4.340 0.001 0.000 0.223 1428 R C 2.141 178.433 176.300 -0.013 0.000 1.092 1428 R CA 0.544 56.634 56.100 -0.017 0.000 0.989 1428 R CB -0.257 30.064 30.300 0.034 0.000 0.876 1428 R HN 0.498 nan 8.270 nan 0.000 0.457 1429 R N -0.024 120.462 120.500 -0.024 0.000 2.090 1429 R HA -0.053 4.288 4.340 0.001 0.000 0.228 1429 R C 2.139 178.445 176.300 0.010 0.000 1.110 1429 R CA 0.778 56.873 56.100 -0.008 0.000 0.973 1429 R CB 0.018 30.308 30.300 -0.016 0.000 0.869 1429 R HN 0.194 nan 8.270 nan 0.000 0.440 1430 Q N 0.831 120.631 119.800 0.001 0.000 1.990 1430 Q HA -0.170 4.171 4.340 0.001 0.000 0.200 1430 Q C 2.012 178.035 176.000 0.038 0.000 0.980 1430 Q CA 1.360 57.173 55.803 0.017 0.000 0.832 1430 Q CB -0.214 28.524 28.738 0.001 0.000 0.897 1430 Q HN 0.370 nan 8.270 nan 0.000 0.427 1431 Q N -0.023 119.793 119.800 0.026 0.000 2.268 1431 Q HA -0.156 4.184 4.340 0.001 0.000 0.210 1431 Q C 1.975 178.020 176.000 0.077 0.000 0.988 1431 Q CA 0.891 56.721 55.803 0.044 0.000 0.883 1431 Q CB -0.015 28.735 28.738 0.020 0.000 0.911 1431 Q HN 0.364 nan 8.270 nan 0.000 0.430 1432 I N -0.400 120.205 120.570 0.058 0.000 2.339 1432 I HA -0.201 3.969 4.170 0.001 0.000 0.245 1432 I C 2.324 178.549 176.117 0.180 0.000 1.096 1432 I CA 0.701 62.047 61.300 0.076 0.000 1.408 1432 I CB -0.125 37.878 38.000 0.004 0.000 1.092 1432 I HN 0.135 nan 8.210 nan 0.000 0.423 1433 K N 0.903 121.383 120.400 0.133 0.000 2.211 1433 K HA -0.251 4.070 4.320 0.001 0.000 0.204 1433 K C 2.111 178.814 176.600 0.172 0.000 1.047 1433 K CA 1.652 58.028 56.287 0.149 0.000 0.935 1433 K CB 0.035 32.593 32.500 0.095 0.000 0.728 1433 K HN 0.487 nan 8.250 nan 0.000 0.452 1434 Q N -1.053 118.842 119.800 0.160 0.000 2.137 1434 Q HA -0.180 4.161 4.340 0.001 0.000 0.198 1434 Q C 1.990 178.096 176.000 0.176 0.000 0.960 1434 Q CA 1.043 56.929 55.803 0.139 0.000 0.847 1434 Q CB -0.648 28.152 28.738 0.105 0.000 0.915 1434 Q HN 0.471 nan 8.270 nan 0.000 0.448 1435 W N 2.478 123.796 121.300 0.030 0.000 2.358 1435 W HA -0.159 4.502 4.660 0.001 0.000 0.303 1435 W C 2.215 178.755 176.519 0.035 0.000 1.208 1435 W CA 1.934 59.292 57.345 0.022 0.000 1.274 1435 W CB 0.055 29.517 29.460 0.003 0.000 1.138 1435 W HN 0.100 nan 8.180 nan 0.000 0.515 1436 K N 0.148 120.801 120.400 0.421 0.000 2.113 1436 K HA -0.286 4.035 4.320 0.001 0.000 0.208 1436 K C 1.742 178.380 176.600 0.063 0.000 1.047 1436 K CA 2.149 58.590 56.287 0.255 0.000 0.928 1436 K CB -0.159 32.553 32.500 0.354 0.000 0.716 1436 K HN 0.086 nan 8.250 nan 0.000 0.446 1437 E N 0.002 120.276 120.200 0.124 0.000 2.042 1437 E HA -0.069 4.282 4.350 0.001 0.000 0.189 1437 E C 1.915 178.527 176.600 0.020 0.000 0.974 1437 E CA 1.001 57.495 56.400 0.157 0.000 0.806 1437 E CB -0.416 29.343 29.700 0.098 0.000 0.769 1437 E HN 0.218 nan 8.360 nan 0.000 0.451 1438 S N 0.251 115.906 115.700 -0.076 0.000 2.407 1438 S HA -0.288 4.183 4.470 0.001 0.000 0.235 1438 S C 1.912 176.373 174.600 -0.231 0.000 1.036 1438 S CA 1.897 60.020 58.200 -0.128 0.000 1.013 1438 S CB -0.149 62.968 63.200 -0.138 0.000 0.820 1438 S HN 0.196 nan 8.310 nan 0.000 0.476 1439 E N -0.583 119.314 120.200 -0.504 0.000 2.112 1439 E HA -0.005 4.345 4.350 0.001 0.000 0.190 1439 E C 1.612 178.049 176.600 -0.272 0.000 0.979 1439 E CA 1.058 57.104 56.400 -0.590 0.000 0.814 1439 E CB -0.473 28.498 29.700 -1.216 0.000 0.762 1439 E HN 0.687 nan 8.360 nan 0.000 0.460 1440 Y N 0.185 120.373 120.300 -0.187 0.000 2.165 1440 Y HA -0.178 4.372 4.550 0.001 0.000 0.286 1440 Y C 2.129 178.007 175.900 -0.036 0.000 1.155 1440 Y CA 1.484 59.538 58.100 -0.076 0.000 1.164 1440 Y CB -0.518 37.909 38.460 -0.055 0.000 0.978 1440 Y HN 0.128 nan 8.280 nan 0.000 0.513 1441 L N -1.245 120.055 121.223 0.129 0.000 1.955 1441 L HA -0.300 4.040 4.340 0.001 0.000 0.213 1441 L C 2.292 179.200 176.870 0.063 0.000 1.072 1441 L CA 1.866 56.748 54.840 0.071 0.000 0.755 1441 L CB -0.905 41.180 42.059 0.043 0.000 0.888 1441 L HN 0.290 nan 8.230 nan 0.000 0.432 1442 Y N -0.568 119.691 120.300 -0.068 0.000 2.181 1442 Y HA -0.323 4.227 4.550 0.001 0.000 0.284 1442 Y C 2.250 178.118 175.900 -0.054 0.000 1.179 1442 Y CA 1.800 59.856 58.100 -0.074 0.000 1.179 1442 Y CB -0.060 38.330 38.460 -0.116 0.000 0.973 1442 Y HN 0.185 nan 8.280 nan 0.000 0.519 1443 L N -0.625 120.681 121.223 0.137 0.000 2.109 1443 L HA -0.200 4.140 4.340 0.001 0.000 0.207 1443 L C 2.416 179.311 176.870 0.042 0.000 1.086 1443 L CA 1.319 56.218 54.840 0.099 0.000 0.760 1443 L CB -0.518 41.592 42.059 0.086 0.000 0.910 1443 L HN 0.237 nan 8.230 nan 0.000 0.437 1444 Q N 0.650 120.472 119.800 0.036 0.000 2.061 1444 Q HA -0.240 4.101 4.340 0.001 0.000 0.204 1444 Q C 1.934 177.902 176.000 -0.054 0.000 0.984 1444 Q CA 1.957 57.764 55.803 0.007 0.000 0.846 1444 Q CB -0.005 28.741 28.738 0.013 0.000 0.902 1444 Q HN 0.471 nan 8.270 nan 0.000 0.421 1445 E N -0.075 120.062 120.200 -0.105 0.000 2.007 1445 E HA -0.232 4.118 4.350 0.001 0.000 0.194 1445 E C 1.944 178.430 176.600 -0.189 0.000 0.999 1445 E CA 1.170 57.471 56.400 -0.164 0.000 0.811 1445 E CB -0.340 29.212 29.700 -0.247 0.000 0.762 1445 E HN 0.480 nan 8.360 nan 0.000 0.450 1446 E N 1.071 121.126 120.200 -0.241 0.000 2.273 1446 E HA -0.204 4.146 4.350 0.001 0.000 0.198 1446 E C 2.011 178.504 176.600 -0.178 0.000 1.002 1446 E CA 0.738 57.016 56.400 -0.204 0.000 0.828 1446 E CB 0.137 29.748 29.700 -0.147 0.000 0.747 1446 E HN 0.051 nan 8.360 nan 0.000 0.491 1447 V N 1.011 120.845 119.914 -0.135 0.000 2.223 1447 V HA -0.261 3.860 4.120 0.001 0.000 0.244 1447 V C 2.330 178.310 176.094 -0.190 0.000 1.045 1447 V CA 2.099 64.304 62.300 -0.158 0.000 1.000 1447 V CB -0.672 31.114 31.823 -0.062 0.000 0.635 1447 V HN 0.459 nan 8.190 nan 0.000 0.445 1448 A N -0.791 121.948 122.820 -0.136 0.000 2.206 1448 A HA 0.270 4.590 4.320 0.001 0.000 0.211 1448 A C 2.139 179.639 177.584 -0.138 0.000 1.158 1448 A CA 1.200 53.163 52.037 -0.124 0.000 0.761 1448 A CB -0.433 18.515 19.000 -0.087 0.000 0.801 1448 A HN 0.563 nan 8.150 nan 0.000 0.473 1449 A N -0.238 122.485 122.820 -0.162 0.000 2.119 1449 A HA 0.208 4.528 4.320 0.001 0.000 0.216 1449 A C 1.592 179.069 177.584 -0.178 0.000 1.152 1449 A CA 1.038 52.980 52.037 -0.158 0.000 0.708 1449 A CB -0.349 18.549 19.000 -0.169 0.000 0.805 1449 A HN 0.505 nan 8.150 nan 0.000 0.460 1450 I N -1.904 118.520 120.570 -0.243 0.000 4.082 1450 I HA 0.082 4.252 4.170 0.001 0.000 0.337 1450 I C 1.599 177.540 176.117 -0.294 0.000 1.352 1450 I CA 0.105 61.224 61.300 -0.302 0.000 1.097 1450 I CB 0.232 37.949 38.000 -0.471 0.000 1.048 1450 I HN 0.080 nan 8.210 nan 0.000 0.393 1451 K N 1.233 121.499 120.400 -0.224 0.000 2.167 1451 K HA -0.036 4.284 4.320 0.001 0.000 0.203 1451 K C 2.285 178.824 176.600 -0.102 0.000 1.052 1451 K CA 1.542 57.739 56.287 -0.150 0.000 0.956 1451 K CB -0.002 32.429 32.500 -0.115 0.000 0.735 1451 K HN 0.339 nan 8.250 nan 0.000 0.451 1452 S N 0.758 116.396 115.700 -0.103 0.000 2.461 1452 S HA -0.094 4.376 4.470 0.001 0.000 0.228 1452 S C 1.760 176.318 174.600 -0.069 0.000 1.005 1452 S CA 0.580 58.735 58.200 -0.075 0.000 0.942 1452 S CB -0.009 63.148 63.200 -0.073 0.000 0.776 1452 S HN 0.268 nan 8.310 nan 0.000 0.514 1453 Q N 0.208 119.956 119.800 -0.087 0.000 2.396 1453 Q HA 0.253 4.593 4.340 0.001 0.000 0.209 1453 Q C 0.769 176.735 176.000 -0.057 0.000 0.906 1453 Q CA -0.173 55.588 55.803 -0.071 0.000 0.927 1453 Q CB 0.193 28.881 28.738 -0.084 0.000 1.069 1453 Q HN 0.395 nan 8.270 nan 0.000 0.523 1454 R N 2.564 123.024 120.500 -0.067 0.000 2.421 1454 R HA 0.055 4.395 4.340 0.001 0.000 0.305 1454 R C -0.450 175.846 176.300 -0.005 0.000 1.039 1454 R CA 0.035 56.118 56.100 -0.027 0.000 1.003 1454 R CB 0.460 30.748 30.300 -0.019 0.000 0.959 1454 R HN 0.120 nan 8.270 nan 0.000 0.427 1455 S N 2.919 118.624 115.700 0.009 0.000 2.624 1455 S HA 0.046 4.516 4.470 0.001 0.000 0.263 1455 S C 0.678 175.289 174.600 0.019 0.000 1.287 1455 S CA -0.718 57.488 58.200 0.010 0.000 0.990 1455 S CB 1.090 64.296 63.200 0.010 0.000 0.950 1455 S HN 0.659 nan 8.310 nan 0.000 0.561 1456 E N 0.486 120.694 120.200 0.013 0.000 2.358 1456 E HA -0.048 4.302 4.350 0.001 0.000 0.195 1456 E C 1.132 177.742 176.600 0.016 0.000 1.010 1456 E CA 0.871 57.280 56.400 0.015 0.000 0.856 1456 E CB -0.602 29.103 29.700 0.008 0.000 0.795 1456 E HN 0.890 nan 8.360 nan 0.000 0.504 1457 E N 0.865 121.074 120.200 0.016 0.000 2.385 1457 E HA 0.025 4.375 4.350 0.001 0.000 0.194 1457 E C -0.079 176.533 176.600 0.019 0.000 1.013 1457 E CA 0.224 56.632 56.400 0.014 0.000 0.866 1457 E CB -0.022 29.685 29.700 0.011 0.000 0.832 1457 E HN 0.094 nan 8.360 nan 0.000 0.500 1458 D N 1.709 122.129 120.400 0.033 0.000 2.372 1458 D HA 0.178 4.819 4.640 0.001 0.000 0.243 1458 D C 0.459 176.787 176.300 0.045 0.000 1.121 1458 D CA 0.145 54.177 54.000 0.053 0.000 0.898 1458 D CB 0.850 41.705 40.800 0.092 0.000 1.202 1458 D HN 0.174 nan 8.370 nan 0.000 0.428 1459 G N 1.643 110.452 108.800 0.016 0.000 2.305 1459 G HA2 0.198 4.159 3.960 0.001 0.000 0.243 1459 G HA3 0.198 4.159 3.960 0.001 0.000 0.243 1459 G C -2.183 172.709 174.900 -0.014 0.000 1.288 1459 G CA -0.796 44.279 45.100 -0.042 0.000 0.901 1459 G HN 0.262 nan 8.290 nan 0.000 0.516 1460 P HA 0.005 nan 4.420 nan 0.000 0.258 1460 P C -0.409 176.890 177.300 -0.001 0.000 1.187 1460 P CA 0.200 63.320 63.100 0.033 0.000 0.767 1460 P CB 0.139 31.845 31.700 0.010 0.000 0.770 1461 F N 3.041 122.978 119.950 -0.022 0.000 2.434 1461 F HA 0.046 4.573 4.527 0.001 0.000 0.358 1461 F C 0.971 176.772 175.800 0.001 0.000 1.136 1461 F CA 0.113 58.100 58.000 -0.021 0.000 1.157 1461 F CB 0.079 39.024 39.000 -0.091 0.000 1.167 1461 F HN 0.217 nan 8.300 nan 0.000 0.539 1462 D N 4.146 124.607 120.400 0.101 0.000 2.376 1462 D HA -0.095 4.545 4.640 0.001 0.000 0.278 1462 D C 1.429 177.835 176.300 0.177 0.000 1.384 1462 D CA 0.469 54.533 54.000 0.107 0.000 1.033 1462 D CB 0.324 41.162 40.800 0.064 0.000 1.102 1462 D HN 0.673 nan 8.370 nan 0.000 0.530 1463 E N 1.350 121.637 120.200 0.145 0.000 2.118 1463 E HA -0.195 4.155 4.350 0.001 0.000 0.195 1463 E C 1.088 177.777 176.600 0.149 0.000 0.992 1463 E CA 1.211 57.695 56.400 0.139 0.000 0.804 1463 E CB 0.380 30.126 29.700 0.076 0.000 0.741 1463 E HN 0.322 nan 8.360 nan 0.000 0.458 1464 T N 0.512 115.132 114.554 0.110 0.000 2.708 1464 T HA -0.133 4.217 4.350 0.001 0.000 0.266 1464 T C 1.825 176.588 174.700 0.106 0.000 1.037 1464 T CA 1.266 63.422 62.100 0.094 0.000 1.146 1464 T CB -0.337 68.570 68.868 0.065 0.000 0.865 1464 T HN 0.334 nan 8.240 nan 0.000 0.435 1465 A N 0.815 123.702 122.820 0.111 0.000 1.835 1465 A HA -0.117 4.204 4.320 0.001 0.000 0.215 1465 A C 2.114 179.785 177.584 0.145 0.000 1.199 1465 A CA 1.769 53.868 52.037 0.104 0.000 0.615 1465 A CB -1.359 17.692 19.000 0.085 0.000 0.838 1465 A HN 0.579 nan 8.150 nan 0.000 0.444 1466 Y N 0.001 120.357 120.300 0.094 0.000 2.207 1466 Y HA -0.158 4.392 4.550 0.001 0.000 0.287 1466 Y C 2.041 177.992 175.900 0.085 0.000 1.156 1466 Y CA 1.903 60.076 58.100 0.121 0.000 1.182 1466 Y CB -0.113 38.482 38.460 0.225 0.000 0.979 1466 Y HN 0.227 nan 8.280 nan 0.000 0.521 1467 L N -0.150 121.261 121.223 0.313 0.000 2.240 1467 L HA -0.111 4.230 4.340 0.001 0.000 0.211 1467 L C 2.647 179.585 176.870 0.113 0.000 1.106 1467 L CA 0.909 55.878 54.840 0.215 0.000 0.793 1467 L CB -0.381 41.792 42.059 0.191 0.000 0.927 1467 L HN 0.229 nan 8.230 nan 0.000 0.446 1468 R N 0.719 121.274 120.500 0.092 0.000 2.082 1468 R HA -0.206 4.134 4.340 0.001 0.000 0.228 1468 R C 1.947 178.268 176.300 0.036 0.000 1.140 1468 R CA 1.911 58.050 56.100 0.065 0.000 0.920 1468 R CB -0.316 30.019 30.300 0.057 0.000 0.828 1468 R HN 0.292 nan 8.270 nan 0.000 0.430 1469 E N -0.316 119.883 120.200 -0.002 0.000 2.130 1469 E HA -0.218 4.132 4.350 0.001 0.000 0.196 1469 E C 2.220 178.797 176.600 -0.037 0.000 0.998 1469 E CA 1.072 57.456 56.400 -0.027 0.000 0.806 1469 E CB -0.006 29.649 29.700 -0.075 0.000 0.738 1469 E HN 0.256 nan 8.360 nan 0.000 0.459 1470 R N -0.052 120.384 120.500 -0.107 0.000 2.090 1470 R HA -0.060 4.280 4.340 0.001 0.000 0.228 1470 R C 2.601 178.883 176.300 -0.031 0.000 1.110 1470 R CA 1.688 57.711 56.100 -0.128 0.000 0.973 1470 R CB -1.077 29.119 30.300 -0.174 0.000 0.869 1470 R HN 0.385 nan 8.270 nan 0.000 0.440 1471 T N -1.387 113.185 114.554 0.029 0.000 2.732 1471 T HA -0.051 4.300 4.350 0.001 0.000 0.261 1471 T C 1.666 176.411 174.700 0.074 0.000 1.040 1471 T CA 0.909 63.046 62.100 0.062 0.000 1.145 1471 T CB -0.207 68.778 68.868 0.195 0.000 0.866 1471 T HN 0.252 nan 8.240 nan 0.000 0.427 1472 E N 0.565 120.816 120.200 0.086 0.000 2.114 1472 E HA -0.278 4.072 4.350 0.001 0.000 0.199 1472 E C 2.260 178.909 176.600 0.083 0.000 1.008 1472 E CA 1.518 57.965 56.400 0.079 0.000 0.810 1472 E CB -0.379 29.357 29.700 0.060 0.000 0.739 1472 E HN 0.620 nan 8.360 nan 0.000 0.456 1473 H N 1.250 120.310 119.070 -0.016 0.000 2.321 1473 H HA -0.085 4.472 4.556 0.001 0.000 0.300 1473 H C 1.994 177.324 175.328 0.004 0.000 1.087 1473 H CA 1.459 57.498 56.048 -0.015 0.000 1.319 1473 H CB -0.164 29.577 29.762 -0.036 0.000 1.379 1473 H HN 0.162 nan 8.280 nan 0.000 0.501 1474 I N 0.801 121.534 120.570 0.271 0.000 2.361 1474 I HA -0.214 3.956 4.170 0.001 0.000 0.251 1474 I C 2.523 178.714 176.117 0.123 0.000 1.133 1474 I CA 0.921 62.319 61.300 0.163 0.000 1.413 1474 I CB -0.197 37.638 38.000 -0.275 0.000 1.073 1474 I HN 0.223 nan 8.210 nan 0.000 0.424 1475 E N 1.195 121.440 120.200 0.076 0.000 2.001 1475 E HA -0.184 4.167 4.350 0.001 0.000 0.195 1475 E C 2.235 178.860 176.600 0.043 0.000 1.002 1475 E CA 1.222 57.675 56.400 0.089 0.000 0.819 1475 E CB -0.367 29.388 29.700 0.092 0.000 0.769 1475 E HN 0.426 nan 8.360 nan 0.000 0.454 1476 R N 0.583 121.077 120.500 -0.011 0.000 2.143 1476 R HA -0.232 4.108 4.340 0.001 0.000 0.239 1476 R C 2.398 178.639 176.300 -0.098 0.000 1.126 1476 R CA 1.965 58.024 56.100 -0.069 0.000 0.927 1476 R CB -0.496 29.726 30.300 -0.131 0.000 0.860 1476 R HN 0.103 nan 8.270 nan 0.000 0.433 1477 E N 0.383 120.485 120.200 -0.164 0.000 2.187 1477 E HA -0.216 4.134 4.350 0.001 0.000 0.199 1477 E C 1.689 178.211 176.600 -0.130 0.000 1.004 1477 E CA 1.766 58.071 56.400 -0.159 0.000 0.813 1477 E CB -0.172 29.478 29.700 -0.083 0.000 0.736 1477 E HN 0.420 nan 8.360 nan 0.000 0.468 1478 A N 0.383 123.204 122.820 0.001 0.000 1.855 1478 A HA -0.124 4.197 4.320 0.001 0.000 0.215 1478 A C 2.246 179.806 177.584 -0.040 0.000 1.191 1478 A CA 1.567 53.605 52.037 0.002 0.000 0.613 1478 A CB -0.513 18.596 19.000 0.182 0.000 0.829 1478 A HN 0.208 nan 8.150 nan 0.000 0.442 1479 R N -0.918 119.576 120.500 -0.010 0.000 2.096 1479 R HA -0.179 4.161 4.340 0.001 0.000 0.240 1479 R C 2.572 178.843 176.300 -0.048 0.000 1.139 1479 R CA 1.882 57.973 56.100 -0.016 0.000 0.952 1479 R CB -0.339 29.959 30.300 -0.005 0.000 0.854 1479 R HN 0.527 nan 8.270 nan 0.000 0.436 1480 R N 0.432 120.887 120.500 -0.076 0.000 2.097 1480 R HA -0.239 4.101 4.340 0.001 0.000 0.236 1480 R C 2.304 178.538 176.300 -0.109 0.000 1.135 1480 R CA 2.040 58.084 56.100 -0.093 0.000 0.934 1480 R CB -0.213 30.016 30.300 -0.119 0.000 0.846 1480 R HN 0.104 nan 8.270 nan 0.000 0.431 1481 Q N 0.531 120.237 119.800 -0.157 0.000 2.197 1481 Q HA -0.177 4.163 4.340 0.001 0.000 0.207 1481 Q C 1.698 177.626 176.000 -0.120 0.000 0.984 1481 Q CA 1.671 57.361 55.803 -0.188 0.000 0.869 1481 Q CB -0.014 28.531 28.738 -0.322 0.000 0.906 1481 Q HN 0.347 nan 8.270 nan 0.000 0.426 1482 E N -0.873 119.278 120.200 -0.082 0.000 1.998 1482 E HA -0.205 4.145 4.350 0.001 0.000 0.196 1482 E C 1.832 178.414 176.600 -0.030 0.000 1.003 1482 E CA 1.042 57.418 56.400 -0.041 0.000 0.829 1482 E CB -0.310 29.379 29.700 -0.019 0.000 0.777 1482 E HN 0.425 nan 8.360 nan 0.000 0.460 1483 A N 1.312 124.113 122.820 -0.031 0.000 1.958 1483 A HA -0.287 4.033 4.320 0.001 0.000 0.221 1483 A C 1.924 179.487 177.584 -0.036 0.000 1.178 1483 A CA 2.071 54.093 52.037 -0.026 0.000 0.642 1483 A CB -0.645 18.338 19.000 -0.027 0.000 0.816 1483 A HN 0.318 nan 8.150 nan 0.000 0.453 1484 E N -0.841 119.325 120.200 -0.057 0.000 2.106 1484 E HA -0.029 4.322 4.350 0.001 0.000 0.192 1484 E C 2.261 178.822 176.600 -0.066 0.000 0.984 1484 E CA 0.809 57.165 56.400 -0.073 0.000 0.806 1484 E CB -0.215 29.427 29.700 -0.096 0.000 0.750 1484 E HN 0.651 nan 8.360 nan 0.000 0.458 1485 A N 0.802 123.601 122.820 -0.034 0.000 2.016 1485 A HA -0.174 4.146 4.320 0.001 0.000 0.217 1485 A C 2.006 179.651 177.584 0.101 0.000 1.162 1485 A CA 0.915 52.971 52.037 0.031 0.000 0.662 1485 A CB -0.241 18.803 19.000 0.073 0.000 0.812 1485 A HN 0.157 nan 8.150 nan 0.000 0.450 1486 Q N -0.814 119.016 119.800 0.050 0.000 2.167 1486 Q HA -0.125 4.216 4.340 0.001 0.000 0.202 1486 Q C 1.885 177.908 176.000 0.038 0.000 0.970 1486 Q CA 1.756 57.590 55.803 0.053 0.000 0.855 1486 Q CB -0.125 28.622 28.738 0.016 0.000 0.911 1486 Q HN 0.599 nan 8.270 nan 0.000 0.438 1487 T N -0.084 114.465 114.554 -0.009 0.000 2.732 1487 T HA -0.101 4.249 4.350 0.001 0.000 0.261 1487 T C 1.691 176.355 174.700 -0.061 0.000 1.040 1487 T CA 1.440 63.516 62.100 -0.040 0.000 1.145 1487 T CB -0.149 68.674 68.868 -0.076 0.000 0.866 1487 T HN 0.464 nan 8.240 nan 0.000 0.427 1488 S N -0.162 115.452 115.700 -0.144 0.000 2.607 1488 S HA 0.165 4.636 4.470 0.001 0.000 0.224 1488 S C 1.055 175.394 174.600 -0.435 0.000 0.969 1488 S CA 0.282 58.296 58.200 -0.310 0.000 0.927 1488 S CB -0.536 62.389 63.200 -0.458 0.000 0.772 1488 S HN 0.528 nan 8.310 nan 0.000 0.533 1489 F N -0.249 119.733 119.950 0.053 0.000 2.871 1489 F HA 0.418 4.945 4.527 0.001 0.000 0.344 1489 F C 1.934 177.718 175.800 -0.027 0.000 1.078 1489 F CA -0.246 57.755 58.000 0.002 0.000 1.149 1489 F CB 1.000 39.957 39.000 -0.071 0.000 1.087 1489 F HN 0.381 nan 8.300 nan 0.000 0.557 1490 G N -0.742 108.198 108.800 0.234 0.000 2.597 1490 G HA2 0.051 4.011 3.960 0.001 0.000 0.196 1490 G HA3 0.051 4.011 3.960 0.001 0.000 0.196 1490 G C 0.997 176.044 174.900 0.245 0.000 1.176 1490 G CA 0.126 45.321 45.100 0.157 0.000 0.747 1490 G HN 0.074 nan 8.290 nan 0.000 0.821 1491 N N 0.577 119.389 118.700 0.187 0.000 2.517 1491 N HA 0.036 4.777 4.740 0.001 0.000 0.202 1491 N C 0.676 176.180 175.510 -0.009 0.000 1.042 1491 N CA 0.500 53.615 53.050 0.107 0.000 0.952 1491 N CB 0.510 39.006 38.487 0.014 0.000 1.211 1491 N HN 0.169 nan 8.380 nan 0.000 0.458 1492 E N 1.012 121.106 120.200 -0.177 0.000 2.585 1492 E HA 0.067 4.418 4.350 0.001 0.000 0.206 1492 E C 0.138 176.407 176.600 -0.551 0.000 1.007 1492 E CA -0.262 55.789 56.400 -0.581 0.000 1.028 1492 E CB -0.072 29.372 29.700 -0.426 0.000 1.087 1492 E HN 0.400 nan 8.360 nan 0.000 0.455 1493 F N -0.506 119.300 119.950 -0.240 0.000 2.771 1493 F HA 0.007 4.534 4.527 0.001 0.000 0.299 1493 F C 1.241 177.054 175.800 0.023 0.000 1.177 1493 F CA -0.171 57.776 58.000 -0.088 0.000 1.450 1493 F CB -0.356 38.693 39.000 0.081 0.000 1.114 1493 F HN 0.143 nan 8.300 nan 0.000 0.587 1494 W N 1.163 122.165 121.300 -0.497 0.000 2.862 1494 W HA 0.378 5.039 4.660 0.001 0.000 0.376 1494 W C 0.318 176.731 176.519 -0.178 0.000 1.028 1494 W CA -0.801 56.335 57.345 -0.348 0.000 1.757 1494 W CB -1.028 28.116 29.460 -0.527 0.000 1.128 1494 W HN -0.026 nan 8.180 nan 0.000 0.566 1495 R N 3.393 123.616 120.500 -0.461 0.000 2.483 1495 R HA -0.040 4.300 4.340 0.001 0.000 0.329 1495 R C 0.931 177.169 176.300 -0.105 0.000 0.961 1495 R CA 0.511 56.407 56.100 -0.340 0.000 1.041 1495 R CB 0.050 30.123 30.300 -0.379 0.000 0.930 1495 R HN 0.201 nan 8.270 nan 0.000 0.413 1496 R N 1.833 122.322 120.500 -0.018 0.000 3.770 1496 R HA -0.193 4.148 4.340 0.001 0.000 0.305 1496 R C -0.847 175.475 176.300 0.036 0.000 1.184 1496 R CA 1.222 57.329 56.100 0.012 0.000 0.823 1496 R CB -1.127 29.162 30.300 -0.019 0.000 1.285 1496 R HN 0.727 nan 8.270 nan 0.000 0.499 1497 D N 0.290 120.735 120.400 0.074 0.000 2.365 1497 D HA 0.080 4.720 4.640 0.001 0.000 0.237 1497 D C 0.965 177.315 176.300 0.083 0.000 1.190 1497 D CA 0.329 54.381 54.000 0.087 0.000 0.867 1497 D CB 1.244 42.123 40.800 0.132 0.000 1.050 1497 D HN 0.110 nan 8.370 nan 0.000 0.491 1498 S N 3.850 119.587 115.700 0.062 0.000 2.465 1498 S HA -0.131 4.339 4.470 0.001 0.000 0.241 1498 S C 1.191 175.826 174.600 0.058 0.000 1.000 1498 S CA 0.952 59.185 58.200 0.054 0.000 0.964 1498 S CB 0.070 63.296 63.200 0.042 0.000 0.763 1498 S HN 0.523 nan 8.310 nan 0.000 0.512 1499 R N -0.005 120.535 120.500 0.066 0.000 2.509 1499 R HA 0.462 4.802 4.340 0.001 0.000 0.300 1499 R C -0.589 175.750 176.300 0.065 0.000 0.985 1499 R CA 0.019 56.155 56.100 0.061 0.000 1.092 1499 R CB 0.452 30.789 30.300 0.061 0.000 1.237 1499 R HN 0.366 nan 8.270 nan 0.000 0.546 1500 I N 1.178 121.792 120.570 0.072 0.000 2.529 1500 I HA 0.281 4.451 4.170 0.001 0.000 0.284 1500 I C -0.437 175.693 176.117 0.021 0.000 1.088 1500 I CA -0.917 60.417 61.300 0.057 0.000 1.062 1500 I CB 1.934 40.002 38.000 0.114 0.000 1.218 1500 I HN 0.016 nan 8.210 nan 0.000 0.442 1501 A N 7.713 130.517 122.820 -0.027 0.000 2.462 1501 A HA 0.402 4.722 4.320 0.001 0.000 0.243 1501 A C -1.754 175.712 177.584 -0.196 0.000 1.076 1501 A CA -0.949 51.053 52.037 -0.060 0.000 0.773 1501 A CB -0.049 18.923 19.000 -0.047 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 0.218 1502 P C 1.362 178.265 177.300 -0.661 0.000 1.146 1502 P CA 0.924 63.719 63.100 -0.508 0.000 0.813 1502 P CB 0.085 31.694 31.700 -0.152 0.000 0.778 1503 L N -1.418 119.584 121.223 -0.369 0.000 2.005 1503 L HA -0.161 4.179 4.340 0.001 0.000 0.207 1503 L C 2.774 179.453 176.870 -0.319 0.000 1.072 1503 L CA 1.447 56.102 54.840 -0.309 0.000 0.744 1503 L CB -0.469 41.477 42.059 -0.189 0.000 0.895 1503 L HN -0.148 nan 8.230 nan 0.000 0.433 1504 R N 0.066 120.406 120.500 -0.266 0.000 2.122 1504 R HA -0.180 4.160 4.340 0.001 0.000 0.236 1504 R C 2.067 178.173 176.300 -0.323 0.000 1.129 1504 R CA 1.663 57.639 56.100 -0.207 0.000 0.925 1504 R CB -1.485 28.737 30.300 -0.129 0.000 0.850 1504 R HN 0.495 nan 8.270 nan 0.000 0.431 1505 G N 0.466 108.884 108.800 -0.637 0.000 2.812 1505 G HA2 -0.352 3.609 3.960 0.001 0.000 0.218 1505 G HA3 -0.352 3.609 3.960 0.001 0.000 0.218 1505 G C 1.515 175.860 174.900 -0.925 0.000 1.287 1505 G CA 2.022 46.382 45.100 -1.234 0.000 0.796 1505 G HN 0.526 nan 8.290 nan 0.000 0.649 1506 A N -0.193 122.017 122.820 -1.017 0.000 2.024 1506 A HA 0.100 4.421 4.320 0.001 0.000 0.220 1506 A C 2.500 180.106 177.584 0.037 0.000 1.164 1506 A CA 1.531 53.429 52.037 -0.231 0.000 0.643 1506 A CB -0.306 18.598 19.000 -0.160 0.000 0.806 1506 A HN 0.408 nan 8.150 nan 0.000 0.451 1507 L N -1.323 119.847 121.223 -0.089 0.000 2.095 1507 L HA -0.103 4.238 4.340 0.001 0.000 0.204 1507 L C 3.079 180.029 176.870 0.133 0.000 1.080 1507 L CA 0.919 55.770 54.840 0.019 0.000 0.759 1507 L CB -0.464 41.557 42.059 -0.063 0.000 0.914 1507 L HN 0.427 nan 8.230 nan 0.000 0.439 1508 A N 0.008 122.894 122.820 0.110 0.000 1.972 1508 A HA -0.224 4.097 4.320 0.001 0.000 0.219 1508 A C 2.344 180.091 177.584 0.272 0.000 1.169 1508 A CA 2.056 54.217 52.037 0.207 0.000 0.635 1508 A CB -0.984 18.181 19.000 0.274 0.000 0.810 1508 A HN 0.524 nan 8.150 nan 0.000 0.446 1509 T N -4.808 109.937 114.554 0.318 0.000 2.946 1509 T HA -0.186 4.164 4.350 0.001 0.000 0.271 1509 T C 1.047 175.617 174.700 -0.217 0.000 1.104 1509 T CA 1.337 63.544 62.100 0.179 0.000 1.114 1509 T CB -0.509 68.447 68.868 0.146 0.000 0.867 1509 T HN 0.642 nan 8.240 nan 0.000 0.513 1510 W N 0.729 122.130 121.300 0.169 0.000 2.862 1510 W HA 0.583 5.244 4.660 0.001 0.000 0.376 1510 W C 1.299 177.957 176.519 0.231 0.000 1.028 1510 W CA -0.357 57.098 57.345 0.184 0.000 1.757 1510 W CB 0.275 29.800 29.460 0.108 0.000 1.128 1510 W HN 0.380 nan 8.180 nan 0.000 0.566 1511 G N 1.725 110.708 108.800 0.306 0.000 2.325 1511 G HA2 -0.210 3.750 3.960 0.001 0.000 0.248 1511 G HA3 -0.210 3.750 3.960 0.001 0.000 0.248 1511 G C -0.800 174.242 174.900 0.237 0.000 1.108 1511 G CA -0.423 44.819 45.100 0.238 0.000 0.881 1511 G HN 0.174 nan 8.290 nan 0.000 0.494 1512 L N -0.171 121.162 121.223 0.184 0.000 2.424 1512 L HA 0.825 5.166 4.340 0.001 0.000 0.258 1512 L C 0.677 177.597 176.870 0.084 0.000 0.995 1512 L CA -0.650 54.267 54.840 0.128 0.000 0.821 1512 L CB 2.444 44.541 42.059 0.063 0.000 1.383 1512 L HN 0.383 nan 8.230 nan 0.000 0.410 1513 T N -2.841 111.757 114.554 0.073 0.000 2.919 1513 T HA 0.512 4.862 4.350 0.001 0.000 0.282 1513 T C 1.185 175.902 174.700 0.028 0.000 1.020 1513 T CA -0.761 61.367 62.100 0.048 0.000 0.994 1513 T CB 1.030 69.936 68.868 0.063 0.000 1.180 1513 T HN 0.449 nan 8.240 nan 0.000 0.566 1514 I N -0.198 120.379 120.570 0.011 0.000 2.530 1514 I HA -0.093 4.078 4.170 0.001 0.000 0.257 1514 I C 1.562 177.692 176.117 0.022 0.000 1.179 1514 I CA 1.086 62.385 61.300 -0.002 0.000 1.440 1514 I CB -0.715 37.278 38.000 -0.012 0.000 1.087 1514 I HN 0.463 nan 8.210 nan 0.000 0.440 1515 D N 1.061 121.490 120.400 0.048 0.000 2.348 1515 D HA -0.111 4.530 4.640 0.001 0.000 0.216 1515 D C 1.465 177.814 176.300 0.081 0.000 0.970 1515 D CA 0.906 54.943 54.000 0.061 0.000 0.889 1515 D CB -0.179 40.699 40.800 0.130 0.000 0.912 1515 D HN 0.470 nan 8.370 nan 0.000 0.524 1516 D N -0.137 120.307 120.400 0.073 0.000 2.350 1516 D HA -0.032 4.609 4.640 0.001 0.000 0.213 1516 D C 0.590 176.923 176.300 0.055 0.000 1.031 1516 D CA -0.195 53.853 54.000 0.081 0.000 0.861 1516 D CB 0.644 41.486 40.800 0.070 0.000 0.926 1516 D HN 0.106 nan 8.370 nan 0.000 0.520 1517 L N 1.865 123.109 121.223 0.034 0.000 2.515 1517 L HA 0.204 4.544 4.340 0.001 0.000 0.281 1517 L C 1.365 178.282 176.870 0.077 0.000 1.131 1517 L CA 0.127 54.986 54.840 0.031 0.000 0.905 1517 L CB 0.616 42.678 42.059 0.005 0.000 1.246 1517 L HN -0.105 nan 8.230 nan 0.000 0.463 1518 G N 3.842 112.708 108.800 0.110 0.000 2.447 1518 G HA2 0.067 4.027 3.960 0.001 0.000 0.211 1518 G HA3 0.067 4.027 3.960 0.001 0.000 0.211 1518 G C 0.202 175.182 174.900 0.134 0.000 1.184 1518 G CA 0.038 45.221 45.100 0.138 0.000 0.813 1518 G HN 0.348 nan 8.290 nan 0.000 0.540 1519 V N 1.274 121.276 119.914 0.147 0.000 2.398 1519 V HA 0.693 4.813 4.120 0.001 0.000 0.286 1519 V C -0.229 175.962 176.094 0.163 0.000 1.026 1519 V CA -0.723 61.657 62.300 0.134 0.000 0.868 1519 V CB 1.283 33.170 31.823 0.107 0.000 0.982 1519 V HN 0.460 nan 8.190 nan 0.000 0.443 1520 A N 3.853 126.770 122.820 0.161 0.000 2.258 1520 A HA 0.673 4.994 4.320 0.001 0.000 0.316 1520 A C 0.034 177.745 177.584 0.212 0.000 1.279 1520 A CA -0.312 51.836 52.037 0.184 0.000 0.876 1520 A CB 1.152 20.308 19.000 0.260 0.000 1.170 1520 A HN 0.689 nan 8.150 nan 0.000 0.520 1521 S N 2.234 118.007 115.700 0.122 0.000 2.452 1521 S HA 0.617 5.088 4.470 0.001 0.000 0.284 1521 S C -0.864 173.789 174.600 0.089 0.000 1.171 1521 S CA -0.220 58.036 58.200 0.093 0.000 1.064 1521 S CB -0.403 62.821 63.200 0.040 0.000 0.967 1521 S HN 0.380 nan 8.310 nan 0.000 0.484 1522 F N 3.829 123.696 119.950 -0.139 0.000 2.404 1522 F HA 0.351 4.879 4.527 0.001 0.000 0.339 1522 F C 1.434 177.346 175.800 0.188 0.000 1.105 1522 F CA -0.717 57.299 58.000 0.028 0.000 1.087 1522 F CB 0.955 39.922 39.000 -0.055 0.000 1.143 1522 F HN 0.756 nan 8.300 nan 0.000 0.491 1523 H N 3.233 122.449 119.070 0.244 0.000 2.265 1523 H HA -0.101 4.455 4.556 0.001 0.000 0.293 1523 H C 1.453 176.932 175.328 0.251 0.000 1.089 1523 H CA 1.441 57.602 56.048 0.188 0.000 1.244 1523 H CB -0.615 29.286 29.762 0.231 0.000 1.355 1523 H HN 0.775 nan 8.280 nan 0.000 0.485 1524 G N 0.049 109.080 108.800 0.385 0.000 2.172 1524 G HA2 -0.258 3.702 3.960 0.001 0.000 0.244 1524 G HA3 -0.258 3.702 3.960 0.001 0.000 0.244 1524 G C 0.711 175.642 174.900 0.051 0.000 0.743 1524 G CA 0.877 46.180 45.100 0.339 0.000 1.146 1524 G HN 0.817 nan 8.290 nan 0.000 0.327 1525 T N -1.084 113.431 114.554 -0.065 0.000 3.188 1525 T HA 0.461 4.811 4.350 0.001 0.000 0.250 1525 T C 1.448 176.184 174.700 0.061 0.000 1.077 1525 T CA 0.969 63.012 62.100 -0.094 0.000 0.967 1525 T CB 0.471 69.253 68.868 -0.143 0.000 1.006 1525 T HN 2.012 nan 8.240 nan 0.000 0.552 1526 S N 0.690 116.402 115.700 0.019 0.000 3.084 1526 S HA -0.217 4.253 4.470 0.001 0.000 0.277 1526 S C 0.612 175.230 174.600 0.029 0.000 1.295 1526 S CA 1.235 59.441 58.200 0.010 0.000 1.170 1526 S CB -2.215 61.016 63.200 0.052 0.000 1.412 1526 S HN 1.204 nan 8.310 nan 0.000 0.669 1527 T N -1.416 113.171 114.554 0.055 0.000 2.824 1527 T HA 0.665 5.016 4.350 0.001 0.000 0.277 1527 T C 1.556 176.255 174.700 -0.001 0.000 0.975 1527 T CA -0.154 61.979 62.100 0.056 0.000 0.966 1527 T CB 1.217 70.150 68.868 0.108 0.000 1.054 1527 T HN 0.382 nan 8.240 nan 0.000 0.533 1528 V N 1.366 121.277 119.914 -0.005 0.000 2.255 1528 V HA 0.054 4.175 4.120 0.001 0.000 0.243 1528 V C 3.169 179.244 176.094 -0.032 0.000 1.038 1528 V CA 1.861 64.145 62.300 -0.027 0.000 1.008 1528 V CB -1.770 30.040 31.823 -0.021 0.000 0.645 1528 V HN 1.041 nan 8.190 nan 0.000 0.449 1529 A N 0.540 123.345 122.820 -0.024 0.000 1.930 1529 A HA -0.167 4.153 4.320 0.001 0.000 0.215 1529 A C 2.082 179.635 177.584 -0.051 0.000 1.176 1529 A CA 1.687 53.704 52.037 -0.034 0.000 0.632 1529 A CB -0.914 18.065 19.000 -0.035 0.000 0.819 1529 A HN 0.641 nan 8.150 nan 0.000 0.445 1530 N N 0.352 119.022 118.700 -0.050 0.000 2.149 1530 N HA -0.196 4.545 4.740 0.001 0.000 0.188 1530 N C 1.052 176.542 175.510 -0.033 0.000 1.019 1530 N CA 2.012 55.017 53.050 -0.076 0.000 0.857 1530 N CB -0.149 38.336 38.487 -0.003 0.000 0.997 1530 N HN 0.441 nan 8.380 nan 0.000 0.426 1531 D N -0.179 120.218 120.400 -0.006 0.000 2.162 1531 D HA -0.118 4.522 4.640 0.001 0.000 0.203 1531 D C 1.580 177.876 176.300 -0.006 0.000 0.967 1531 D CA 0.668 54.680 54.000 0.020 0.000 0.840 1531 D CB -0.231 40.509 40.800 -0.100 0.000 0.972 1531 D HN 0.448 nan 8.370 nan 0.000 0.482 1532 K N 0.817 121.189 120.400 -0.047 0.000 2.148 1532 K HA -0.148 4.172 4.320 0.001 0.000 0.204 1532 K C 1.732 178.401 176.600 0.114 0.000 1.050 1532 K CA 0.963 57.235 56.287 -0.026 0.000 0.942 1532 K CB 0.149 32.645 32.500 -0.007 0.000 0.724 1532 K HN -0.098 nan 8.250 nan 0.000 0.446 1533 N N 0.712 119.442 118.700 0.050 0.000 2.220 1533 N HA -0.094 4.646 4.740 0.001 0.000 0.182 1533 N C 1.504 177.053 175.510 0.064 0.000 1.023 1533 N CA 1.009 54.075 53.050 0.027 0.000 0.856 1533 N CB 0.143 38.550 38.487 -0.132 0.000 0.997 1533 N HN 0.179 nan 8.380 nan 0.000 0.429 1534 E N 0.012 120.228 120.200 0.026 0.000 2.033 1534 E HA -0.196 4.154 4.350 0.001 0.000 0.199 1534 E C 1.839 178.718 176.600 0.466 0.000 1.011 1534 E CA 1.538 58.055 56.400 0.195 0.000 0.815 1534 E CB -0.175 29.753 29.700 0.380 0.000 0.755 1534 E HN 0.347 nan 8.360 nan 0.000 0.451 1535 S N 0.860 116.962 115.700 0.671 0.000 2.359 1535 S HA -0.221 4.249 4.470 0.001 0.000 0.223 1535 S C 1.638 176.707 174.600 0.781 0.000 1.039 1535 S CA 1.479 60.162 58.200 0.805 0.000 1.042 1535 S CB -0.446 62.937 63.200 0.306 0.000 0.915 1535 S HN 0.325 nan 8.310 nan 0.000 0.439 1536 D N 1.161 122.032 120.400 0.785 0.000 2.103 1536 D HA -0.117 4.524 4.640 0.001 0.000 0.190 1536 D C 1.978 178.379 176.300 0.168 0.000 0.997 1536 D CA 1.315 55.550 54.000 0.392 0.000 0.833 1536 D CB -0.484 40.480 40.800 0.272 0.000 0.961 1536 D HN 0.214 nan 8.370 nan 0.000 0.447 1537 V N 1.226 121.246 119.914 0.177 0.000 2.233 1537 V HA -0.242 3.878 4.120 0.001 0.000 0.247 1537 V C 2.812 178.954 176.094 0.080 0.000 1.050 1537 V CA 1.531 63.901 62.300 0.117 0.000 1.010 1537 V CB -0.453 31.483 31.823 0.189 0.000 0.637 1537 V HN 0.292 nan 8.190 nan 0.000 0.444 1538 I N -0.947 119.691 120.570 0.113 0.000 2.335 1538 I HA -0.335 3.836 4.170 0.001 0.000 0.251 1538 I C 2.577 178.734 176.117 0.066 0.000 1.129 1538 I CA 1.536 62.874 61.300 0.064 0.000 1.402 1538 I CB -0.222 37.805 38.000 0.044 0.000 1.069 1538 I HN 0.487 nan 8.210 nan 0.000 0.424 1539 C N 0.467 119.834 119.300 0.112 0.000 2.491 1539 C HA -0.194 4.266 4.460 0.001 0.000 0.283 1539 C C 2.816 177.695 174.990 -0.186 0.000 1.238 1539 C CA 1.079 60.088 59.018 -0.015 0.000 1.735 1539 C CB -1.000 26.729 27.740 -0.018 0.000 2.080 1539 C HN 0.482 nan 8.230 nan 0.000 0.463 1540 Q N -0.189 119.524 119.800 -0.145 0.000 2.118 1540 Q HA -0.331 4.010 4.340 0.001 0.000 0.211 1540 Q C 2.213 178.141 176.000 -0.120 0.000 0.998 1540 Q CA 2.212 57.928 55.803 -0.145 0.000 0.872 1540 Q CB -0.402 28.276 28.738 -0.100 0.000 0.925 1540 Q HN 0.748 nan 8.270 nan 0.000 0.414 1541 Q N 0.278 120.026 119.800 -0.087 0.000 1.985 1541 Q HA -0.192 4.149 4.340 0.001 0.000 0.207 1541 Q C 2.335 178.275 176.000 -0.100 0.000 0.996 1541 Q CA 1.432 57.197 55.803 -0.064 0.000 0.851 1541 Q CB -0.322 28.382 28.738 -0.057 0.000 0.921 1541 Q HN 0.408 nan 8.270 nan 0.000 0.418 1542 L N 0.823 121.953 121.223 -0.154 0.000 2.021 1542 L HA -0.294 4.047 4.340 0.001 0.000 0.215 1542 L C 2.697 179.376 176.870 -0.319 0.000 1.074 1542 L CA 1.740 56.460 54.840 -0.201 0.000 0.760 1542 L CB -0.668 41.277 42.059 -0.190 0.000 0.889 1542 L HN 0.319 nan 8.230 nan 0.000 0.433 1543 K N 0.064 120.138 120.400 -0.545 0.000 1.991 1543 K HA -0.294 4.026 4.320 0.001 0.000 0.212 1543 K C 2.091 178.602 176.600 -0.148 0.000 1.049 1543 K CA 2.113 58.121 56.287 -0.465 0.000 0.932 1543 K CB -0.360 31.870 32.500 -0.451 0.000 0.717 1543 K HN 0.309 nan 8.250 nan 0.000 0.441 1544 H N 0.103 119.070 119.070 -0.172 0.000 2.567 1544 H HA 0.068 4.624 4.556 0.001 0.000 0.276 1544 H C 1.389 176.670 175.328 -0.078 0.000 1.016 1544 H CA 0.662 56.648 56.048 -0.102 0.000 1.186 1544 H CB 0.088 29.796 29.762 -0.090 0.000 1.351 1544 H HN 0.221 nan 8.280 nan 0.000 0.605 1545 L N -1.579 119.570 121.223 -0.122 0.000 2.513 1545 L HA 0.242 4.582 4.340 0.001 0.000 0.222 1545 L C 1.533 178.336 176.870 -0.112 0.000 1.096 1545 L CA 0.735 55.496 54.840 -0.132 0.000 0.857 1545 L CB 0.419 42.434 42.059 -0.074 0.000 1.026 1545 L HN 0.609 nan 8.230 nan 0.000 0.469 1546 G N 0.690 109.439 108.800 -0.086 0.000 2.175 1546 G HA2 -0.246 3.714 3.960 0.001 0.000 0.182 1546 G HA3 -0.246 3.714 3.960 0.001 0.000 0.182 1546 G C 0.322 175.243 174.900 0.035 0.000 1.003 1546 G CA -0.201 44.880 45.100 -0.032 0.000 0.666 1546 G HN 0.240 nan 8.290 nan 0.000 0.506 1547 R N 1.756 122.285 120.500 0.047 0.000 2.504 1547 R HA 0.242 4.583 4.340 0.001 0.000 0.302 1547 R C 0.587 176.985 176.300 0.163 0.000 0.893 1547 R CA 1.109 57.279 56.100 0.116 0.000 1.138 1547 R CB -0.304 30.106 30.300 0.184 0.000 0.880 1547 R HN 0.138 nan 8.270 nan 0.000 0.415 1548 T N 6.378 120.973 114.554 0.069 0.000 2.831 1548 T HA -0.045 4.305 4.350 0.001 0.000 0.291 1548 T C 0.230 174.880 174.700 -0.083 0.000 0.981 1548 T CA 0.160 62.291 62.100 0.052 0.000 1.174 1548 T CB 0.129 69.098 68.868 0.167 0.000 0.929 1548 T HN 0.436 nan 8.240 nan 0.000 0.532 1549 K N 2.244 122.621 120.400 -0.038 0.000 2.447 1549 K HA 0.279 4.599 4.320 0.001 0.000 0.281 1549 K C 1.327 177.818 176.600 -0.183 0.000 1.031 1549 K CA 0.872 57.045 56.287 -0.190 0.000 1.019 1549 K CB -0.135 32.309 32.500 -0.092 0.000 0.918 1549 K HN 0.854 nan 8.250 nan 0.000 0.476 1550 G N 2.909 111.539 108.800 -0.284 0.000 2.238 1550 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 1550 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 1550 G C -0.164 174.644 174.900 -0.153 0.000 0.996 1550 G CA -0.039 45.009 45.100 -0.086 0.000 0.632 1550 G HN 0.657 nan 8.290 nan 0.000 0.503 1551 N N 1.667 120.014 118.700 -0.587 0.000 2.521 1551 N HA 0.654 5.394 4.740 0.001 0.000 0.236 1551 N C 0.341 175.700 175.510 -0.252 0.000 1.067 1551 N CA 0.791 53.353 53.050 -0.814 0.000 0.939 1551 N CB 0.528 38.054 38.487 -1.601 0.000 1.201 1551 N HN 0.792 nan 8.380 nan 0.000 0.511 1552 A N 2.289 125.159 122.820 0.083 0.000 2.264 1552 A HA 0.618 4.938 4.320 0.001 0.000 0.304 1552 A C -0.264 177.386 177.584 0.111 0.000 1.100 1552 A CA -0.677 51.393 52.037 0.054 0.000 0.839 1552 A CB 0.671 19.604 19.000 -0.112 0.000 1.121 1552 A HN 0.522 nan 8.150 nan 0.000 0.496 1553 V N -0.269 119.687 119.914 0.070 0.000 2.427 1553 V HA 0.501 4.622 4.120 0.001 0.000 0.286 1553 V C 0.010 176.118 176.094 0.024 0.000 1.034 1553 V CA -0.812 61.538 62.300 0.084 0.000 0.893 1553 V CB 0.813 32.705 31.823 0.115 0.000 0.982 1553 V HN 0.700 nan 8.190 nan 0.000 0.452 1554 L N 4.611 125.864 121.223 0.050 0.000 2.477 1554 L HA 0.385 4.725 4.340 0.001 0.000 0.272 1554 L C 1.057 177.910 176.870 -0.027 0.000 1.157 1554 L CA 0.577 55.419 54.840 0.003 0.000 0.889 1554 L CB 0.557 42.637 42.059 0.035 0.000 1.158 1554 L HN 1.001 nan 8.230 nan 0.000 0.473 1555 G N 5.281 114.000 108.800 -0.135 0.000 2.322 1555 G HA2 0.495 4.456 3.960 0.001 0.000 0.309 1555 G HA3 0.495 4.456 3.960 0.001 0.000 0.309 1555 G C -0.403 174.276 174.900 -0.368 0.000 1.121 1555 G CA -0.501 44.422 45.100 -0.293 0.000 0.886 1555 G HN 0.304 nan 8.290 nan 0.000 0.447 1556 I N 1.989 122.339 120.570 -0.366 0.000 2.392 1556 I HA 0.461 4.632 4.170 0.001 0.000 0.295 1556 I C -0.799 175.020 176.117 -0.497 0.000 0.985 1556 I CA -1.681 59.471 61.300 -0.247 0.000 1.221 1556 I CB 1.289 39.268 38.000 -0.034 0.000 1.366 1556 I HN 0.340 nan 8.210 nan 0.000 0.467 1557 F N 4.414 124.488 119.950 0.207 0.000 2.686 1557 F HA 0.310 4.838 4.527 0.001 0.000 0.365 1557 F C 1.285 177.212 175.800 0.212 0.000 1.196 1557 F CA -0.471 57.654 58.000 0.209 0.000 1.198 1557 F CB 0.706 39.810 39.000 0.174 0.000 1.454 1557 F HN 0.490 nan 8.300 nan 0.000 0.539 1558 Q N 1.303 121.239 119.800 0.227 0.000 2.500 1558 Q HA -0.107 4.234 4.340 0.001 0.000 0.213 1558 Q C 1.626 177.632 176.000 0.010 0.000 0.974 1558 Q CA 0.998 56.842 55.803 0.067 0.000 0.918 1558 Q CB 0.301 29.090 28.738 0.085 0.000 0.980 1558 Q HN 0.331 nan 8.270 nan 0.000 0.505 1559 K N -0.028 120.451 120.400 0.132 0.000 2.283 1559 K HA -0.159 4.161 4.320 0.001 0.000 0.202 1559 K C 1.757 178.428 176.600 0.118 0.000 1.048 1559 K CA 0.946 57.301 56.287 0.114 0.000 0.948 1559 K CB -0.418 32.135 32.500 0.087 0.000 0.742 1559 K HN 0.511 nan 8.250 nan 0.000 0.458 1560 Y N -0.676 119.704 120.300 0.133 0.000 2.274 1560 Y HA -0.060 4.491 4.550 0.001 0.000 0.290 1560 Y C 1.878 177.855 175.900 0.129 0.000 1.145 1560 Y CA 0.868 59.027 58.100 0.098 0.000 1.203 1560 Y CB -0.590 37.910 38.460 0.065 0.000 0.984 1560 Y HN -0.075 nan 8.280 nan 0.000 0.533 1561 L N 0.196 121.089 121.223 -0.549 0.000 2.221 1561 L HA -0.020 4.321 4.340 0.001 0.000 0.202 1561 L C 2.132 179.105 176.870 0.170 0.000 1.074 1561 L CA 1.706 56.346 54.840 -0.332 0.000 0.795 1561 L CB -0.233 41.369 42.059 -0.761 0.000 0.960 1561 L HN 0.552 nan 8.230 nan 0.000 0.458 1562 T N -3.917 110.712 114.554 0.126 0.000 3.023 1562 T HA 0.357 4.707 4.350 0.001 0.000 0.253 1562 T C 1.019 175.900 174.700 0.301 0.000 1.038 1562 T CA 0.391 62.660 62.100 0.282 0.000 0.962 1562 T CB 0.530 69.587 68.868 0.316 0.000 1.018 1562 T HN 0.485 nan 8.240 nan 0.000 0.521 1563 G N 1.476 110.409 108.800 0.222 0.000 2.645 1563 G HA2 -0.166 3.794 3.960 0.001 0.000 0.239 1563 G HA3 -0.166 3.794 3.960 0.001 0.000 0.239 1563 G C -0.709 174.338 174.900 0.244 0.000 1.331 1563 G CA -0.067 45.162 45.100 0.215 0.000 0.890 1563 G HN 0.928 nan 8.290 nan 0.000 0.572 1564 H N 1.491 120.605 119.070 0.074 0.000 2.792 1564 H HA 0.574 5.130 4.556 0.001 0.000 0.298 1564 H C -2.456 172.802 175.328 -0.116 0.000 1.042 1564 H CA -2.497 53.503 56.048 -0.081 0.000 1.300 1564 H CB 1.358 30.960 29.762 -0.267 0.000 1.431 1564 H HN 0.259 nan 8.280 nan 0.000 0.496 1565 P HA 0.082 nan 4.420 nan 0.000 0.263 1565 P C 0.595 177.903 177.300 0.013 0.000 1.601 1565 P CA -0.128 62.911 63.100 -0.102 0.000 1.161 1565 P CB 0.190 31.494 31.700 -0.660 0.000 1.730 1566 K N 1.874 122.219 120.400 -0.091 0.000 2.413 1566 K HA -0.311 4.009 4.320 0.001 0.000 0.205 1566 K C 1.900 178.538 176.600 0.065 0.000 0.830 1566 K CA 2.474 58.664 56.287 -0.161 0.000 0.991 1566 K CB -1.482 31.029 32.500 0.019 0.000 1.171 1566 K HN 0.526 nan 8.250 nan 0.000 0.553 1567 G N -1.013 107.792 108.800 0.009 0.000 2.724 1567 G HA2 0.245 4.205 3.960 0.001 0.000 0.205 1567 G HA3 0.245 4.205 3.960 0.001 0.000 0.205 1567 G C 0.810 175.647 174.900 -0.104 0.000 1.112 1567 G CA 0.299 45.380 45.100 -0.031 0.000 0.793 1567 G HN 0.402 nan 8.290 nan 0.000 0.526 1568 A N 0.942 123.654 122.820 -0.181 0.000 2.840 1568 A HA 0.733 5.054 4.320 0.001 0.000 0.269 1568 A C 1.896 179.199 177.584 -0.467 0.000 1.439 1568 A CA 0.880 52.744 52.037 -0.289 0.000 1.083 1568 A CB -0.511 18.306 19.000 -0.305 0.000 1.019 1568 A HN 0.469 nan 8.150 nan 0.000 0.607 1569 A N 0.388 123.054 122.820 -0.256 0.000 1.826 1569 A HA 0.206 4.527 4.320 0.001 0.000 0.214 1569 A C 2.320 179.839 177.584 -0.107 0.000 1.212 1569 A CA 1.531 53.434 52.037 -0.223 0.000 0.605 1569 A CB -1.383 17.551 19.000 -0.109 0.000 0.861 1569 A HN 0.877 nan 8.150 nan 0.000 0.447 1570 G N -0.407 108.368 108.800 -0.043 0.000 2.507 1570 G HA2 -0.082 3.879 3.960 0.001 0.000 0.221 1570 G HA3 -0.082 3.879 3.960 0.001 0.000 0.221 1570 G C 1.682 176.607 174.900 0.042 0.000 1.119 1570 G CA 1.780 46.883 45.100 0.006 0.000 0.751 1570 G HN 0.883 nan 8.290 nan 0.000 0.574 1571 A N 0.109 122.941 122.820 0.020 0.000 1.908 1571 A HA -0.069 4.251 4.320 0.001 0.000 0.218 1571 A C 2.188 179.928 177.584 0.260 0.000 1.181 1571 A CA 1.709 53.809 52.037 0.105 0.000 0.627 1571 A CB -0.572 18.483 19.000 0.091 0.000 0.818 1571 A HN 0.466 nan 8.150 nan 0.000 0.445 1572 W N -0.435 120.878 121.300 0.021 0.000 2.409 1572 W HA 0.008 4.668 4.660 0.001 0.000 0.299 1572 W C 2.446 178.964 176.519 -0.002 0.000 1.203 1572 W CA 0.878 58.232 57.345 0.015 0.000 1.298 1572 W CB -1.118 28.357 29.460 0.026 0.000 1.127 1572 W HN 0.297 nan 8.180 nan 0.000 0.528 1573 M N -0.557 119.181 119.600 0.230 0.000 2.159 1573 M HA -0.180 4.300 4.480 0.001 0.000 0.263 1573 M C 2.154 178.470 176.300 0.026 0.000 1.063 1573 M CA 1.351 56.720 55.300 0.114 0.000 1.110 1573 M CB -0.985 31.675 32.600 0.100 0.000 1.374 1573 M HN -0.107 nan 8.290 nan 0.000 0.411 1574 L N 0.997 122.246 121.223 0.044 0.000 2.083 1574 L HA -0.189 4.152 4.340 0.001 0.000 0.209 1574 L C 1.882 178.706 176.870 -0.076 0.000 1.083 1574 L CA 1.790 56.633 54.840 0.005 0.000 0.752 1574 L CB -0.598 41.500 42.059 0.065 0.000 0.899 1574 L HN 0.261 nan 8.230 nan 0.000 0.433 1575 N N -0.246 118.437 118.700 -0.029 0.000 2.244 1575 N HA -0.098 4.642 4.740 0.001 0.000 0.183 1575 N C 1.800 177.224 175.510 -0.144 0.000 1.016 1575 N CA 1.211 54.207 53.050 -0.090 0.000 0.866 1575 N CB -0.908 37.556 38.487 -0.038 0.000 0.980 1575 N HN 0.448 nan 8.380 nan 0.000 0.430 1576 G N 0.591 109.346 108.800 -0.076 0.000 2.459 1576 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 1576 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 1576 G C 1.761 176.543 174.900 -0.197 0.000 1.183 1576 G CA 1.165 46.241 45.100 -0.040 0.000 0.776 1576 G HN 0.386 nan 8.290 nan 0.000 0.552 1577 C N 0.636 119.708 119.300 -0.380 0.000 2.436 1577 C HA 0.027 4.487 4.460 0.001 0.000 0.277 1577 C C 2.873 177.503 174.990 -0.600 0.000 1.241 1577 C CA 0.612 59.185 59.018 -0.742 0.000 1.721 1577 C CB -1.281 25.363 27.740 -1.826 0.000 2.043 1577 C HN 0.420 nan 8.230 nan 0.000 0.472 1578 L N 0.419 121.371 121.223 -0.452 0.000 2.263 1578 L HA -0.269 4.071 4.340 0.001 0.000 0.216 1578 L C 2.598 179.340 176.870 -0.213 0.000 1.111 1578 L CA 1.586 56.310 54.840 -0.193 0.000 0.773 1578 L CB -0.866 41.144 42.059 -0.081 0.000 0.906 1578 L HN 0.554 nan 8.230 nan 0.000 0.439 1579 Q N -0.809 118.751 119.800 -0.400 0.000 2.123 1579 Q HA -0.083 4.257 4.340 0.001 0.000 0.196 1579 Q C 2.397 178.003 176.000 -0.658 0.000 0.958 1579 Q CA 0.756 56.130 55.803 -0.715 0.000 0.841 1579 Q CB 0.184 28.130 28.738 -1.320 0.000 0.915 1579 Q HN 0.270 nan 8.270 nan 0.000 0.455 1580 V N 1.024 120.695 119.914 -0.406 0.000 2.343 1580 V HA -0.275 3.845 4.120 0.001 0.000 0.247 1580 V C 2.167 178.234 176.094 -0.045 0.000 1.051 1580 V CA 1.473 63.720 62.300 -0.088 0.000 1.036 1580 V CB -0.479 31.346 31.823 0.003 0.000 0.654 1580 V HN 0.421 nan 8.190 nan 0.000 0.451 1581 L N 0.234 121.403 121.223 -0.089 0.000 2.043 1581 L HA -0.238 4.102 4.340 0.001 0.000 0.212 1581 L C 2.100 178.939 176.870 -0.052 0.000 1.075 1581 L CA 1.931 56.754 54.840 -0.028 0.000 0.752 1581 L CB -0.535 41.478 42.059 -0.076 0.000 0.891 1581 L HN 0.481 nan 8.230 nan 0.000 0.432 1582 N N -1.125 117.519 118.700 -0.095 0.000 2.276 1582 N HA -0.040 4.700 4.740 0.001 0.000 0.212 1582 N C 0.929 176.456 175.510 0.028 0.000 1.127 1582 N CA 0.906 53.929 53.050 -0.045 0.000 0.834 1582 N CB 0.412 38.848 38.487 -0.085 0.000 1.014 1582 N HN 0.433 nan 8.380 nan 0.000 0.491 1583 T N -5.974 108.620 114.554 0.067 0.000 3.151 1583 T HA 0.218 4.569 4.350 0.001 0.000 0.257 1583 T C 1.213 176.013 174.700 0.166 0.000 0.872 1583 T CA 0.783 62.969 62.100 0.144 0.000 0.873 1583 T CB 0.243 69.245 68.868 0.224 0.000 1.272 1583 T HN 0.014 nan 8.240 nan 0.000 0.543 1584 G N 2.172 111.063 108.800 0.152 0.000 2.162 1584 G HA2 -0.202 3.758 3.960 0.001 0.000 0.260 1584 G HA3 -0.202 3.758 3.960 0.001 0.000 0.260 1584 G C 0.043 174.988 174.900 0.076 0.000 0.976 1584 G CA 0.274 45.456 45.100 0.137 0.000 0.655 1584 G HN 0.760 nan 8.290 nan 0.000 0.533 1585 I N 1.506 122.155 120.570 0.131 0.000 2.322 1585 I HA 0.332 4.503 4.170 0.001 0.000 0.292 1585 I C 0.446 176.635 176.117 0.121 0.000 1.060 1585 I CA -0.745 60.604 61.300 0.080 0.000 1.309 1585 I CB 1.409 39.490 38.000 0.136 0.000 1.415 1585 I HN -0.143 nan 8.210 nan 0.000 0.492 1586 V N 9.065 128.984 119.914 0.008 0.000 2.368 1586 V HA 0.225 4.346 4.120 0.001 0.000 0.266 1586 V C -2.141 173.940 176.094 -0.021 0.000 1.045 1586 V CA -1.680 60.635 62.300 0.025 0.000 0.899 1586 V CB 0.655 32.475 31.823 -0.004 0.000 1.006 1586 V HN 0.564 nan 8.190 nan 0.000 0.470 1587 P HA 0.263 nan 4.420 nan 0.000 0.281 1587 P C 0.522 177.820 177.300 -0.004 0.000 1.252 1587 P CA 0.223 63.275 63.100 -0.079 0.000 0.778 1587 P CB 0.949 32.578 31.700 -0.117 0.000 0.895 1588 G N 2.391 111.165 108.800 -0.043 0.000 2.611 1588 G HA2 0.148 4.108 3.960 0.001 0.000 0.273 1588 G HA3 0.148 4.108 3.960 0.001 0.000 0.273 1588 G C -0.330 174.561 174.900 -0.015 0.000 1.305 1588 G CA -0.232 44.852 45.100 -0.026 0.000 1.010 1588 G HN 0.557 nan 8.290 nan 0.000 0.509 1589 N N -1.170 117.458 118.700 -0.121 0.000 2.696 1589 N HA 0.153 4.894 4.740 0.001 0.000 0.246 1589 N C 1.272 176.400 175.510 -0.638 0.000 1.057 1589 N CA -0.661 52.138 53.050 -0.419 0.000 0.867 1589 N CB 0.954 39.445 38.487 0.007 0.000 1.141 1589 N HN 0.468 nan 8.380 nan 0.000 0.517 1590 R N 2.199 122.118 120.500 -0.969 0.000 2.120 1590 R HA -0.031 4.309 4.340 0.001 0.000 0.234 1590 R C 0.421 176.478 176.300 -0.404 0.000 1.123 1590 R CA 1.245 57.022 56.100 -0.540 0.000 0.975 1590 R CB -0.227 29.842 30.300 -0.385 0.000 0.866 1590 R HN 0.597 nan 8.270 nan 0.000 0.446 1591 N N 0.796 119.220 118.700 -0.458 0.000 2.370 1591 N HA 0.072 4.812 4.740 0.001 0.000 0.198 1591 N C 0.084 175.488 175.510 -0.176 0.000 1.156 1591 N CA -0.224 52.700 53.050 -0.211 0.000 0.839 1591 N CB 0.525 38.966 38.487 -0.076 0.000 0.989 1591 N HN 0.162 nan 8.380 nan 0.000 0.468 1592 A N 0.860 123.558 122.820 -0.203 0.000 2.810 1592 A HA -0.032 4.288 4.320 0.001 0.000 0.247 1592 A C 0.960 178.509 177.584 -0.058 0.000 1.576 1592 A CA -0.103 51.866 52.037 -0.113 0.000 1.294 1592 A CB -0.387 18.601 19.000 -0.021 0.000 0.976 1592 A HN 0.160 nan 8.150 nan 0.000 0.631 1593 D N 0.966 121.303 120.400 -0.105 0.000 3.134 1593 D HA -0.273 4.368 4.640 0.001 0.000 0.482 1593 D C 0.578 176.826 176.300 -0.087 0.000 1.049 1593 D CA 2.482 56.419 54.000 -0.105 0.000 1.379 1593 D CB -0.044 40.759 40.800 0.005 0.000 0.865 1593 D HN 0.740 nan 8.370 nan 0.000 0.499 1594 N N -1.477 117.245 118.700 0.036 0.000 2.752 1594 N HA 0.198 4.939 4.740 0.001 0.000 0.268 1594 N C -1.742 173.746 175.510 -0.037 0.000 1.190 1594 N CA -0.370 52.745 53.050 0.108 0.000 0.897 1594 N CB 1.201 39.810 38.487 0.203 0.000 1.515 1594 N HN -0.095 nan 8.380 nan 0.000 0.567 1595 V N 1.963 121.755 119.914 -0.204 0.000 2.599 1595 V HA 0.041 4.161 4.120 0.001 0.000 0.300 1595 V C 0.781 176.778 176.094 -0.163 0.000 1.034 1595 V CA -0.013 62.094 62.300 -0.322 0.000 1.115 1595 V CB 0.468 31.944 31.823 -0.580 0.000 0.934 1595 V HN 0.695 nan 8.190 nan 0.000 0.485 1596 D N 4.400 124.706 120.400 -0.156 0.000 2.533 1596 D HA -0.033 4.608 4.640 0.001 0.000 0.236 1596 D C 1.247 177.583 176.300 0.060 0.000 1.137 1596 D CA 0.107 54.070 54.000 -0.062 0.000 0.867 1596 D CB 0.773 41.499 40.800 -0.124 0.000 1.170 1596 D HN 0.423 nan 8.370 nan 0.000 0.474 1597 K N 2.749 123.212 120.400 0.105 0.000 2.218 1597 K HA -0.099 4.222 4.320 0.001 0.000 0.205 1597 K C 1.790 178.390 176.600 -0.001 0.000 1.046 1597 K CA 0.633 56.992 56.287 0.120 0.000 0.933 1597 K CB -0.188 32.359 32.500 0.078 0.000 0.728 1597 K HN 0.366 nan 8.250 nan 0.000 0.454 1598 V N 1.271 121.175 119.914 -0.017 0.000 2.594 1598 V HA -0.214 3.907 4.120 0.001 0.000 0.253 1598 V C 2.178 178.239 176.094 -0.055 0.000 1.069 1598 V CA 1.234 63.522 62.300 -0.021 0.000 1.082 1598 V CB -0.456 31.352 31.823 -0.025 0.000 0.680 1598 V HN 0.278 nan 8.190 nan 0.000 0.469 1599 M N -0.311 119.202 119.600 -0.144 0.000 2.630 1599 M HA -0.068 4.413 4.480 0.001 0.000 0.254 1599 M C 2.025 178.318 176.300 -0.012 0.000 1.092 1599 M CA 1.014 56.166 55.300 -0.247 0.000 1.087 1599 M CB -1.092 31.369 32.600 -0.232 0.000 1.453 1599 M HN 0.558 nan 8.290 nan 0.000 0.509 1600 E N 1.057 121.074 120.200 -0.306 0.000 2.150 1600 E HA -0.202 4.149 4.350 0.001 0.000 0.193 1600 E C 1.689 178.161 176.600 -0.214 0.000 0.985 1600 E CA 0.996 56.906 56.400 -0.817 0.000 0.814 1600 E CB 0.077 28.986 29.700 -1.318 0.000 0.752 1600 E HN 0.587 nan 8.360 nan 0.000 0.466 1601 Q N -0.434 119.414 119.800 0.080 0.000 2.308 1601 Q HA -0.148 4.193 4.340 0.001 0.000 0.209 1601 Q C 0.061 176.163 176.000 0.170 0.000 0.985 1601 Q CA 0.775 56.661 55.803 0.138 0.000 0.881 1601 Q CB -0.235 28.606 28.738 0.172 0.000 0.917 1601 Q HN 0.336 nan 8.270 nan 0.000 0.443 1602 F N 1.674 121.627 119.950 0.005 0.000 2.425 1602 F HA 0.104 4.632 4.527 0.001 0.000 0.354 1602 F C 0.761 176.609 175.800 0.081 0.000 1.162 1602 F CA -1.069 56.988 58.000 0.096 0.000 1.250 1602 F CB 0.448 39.545 39.000 0.162 0.000 1.579 1602 F HN -0.047 nan 8.300 nan 0.000 0.589 1603 D N 1.216 121.732 120.400 0.194 0.000 2.133 1603 D HA -0.279 4.362 4.640 0.001 0.000 0.192 1603 D C 1.589 177.875 176.300 -0.023 0.000 1.001 1603 D CA 2.055 56.066 54.000 0.019 0.000 0.844 1603 D CB -0.256 40.464 40.800 -0.134 0.000 0.944 1603 D HN 0.540 nan 8.370 nan 0.000 0.447 1604 Y N 0.366 120.670 120.300 0.007 0.000 2.578 1604 Y HA 0.166 4.716 4.550 0.001 0.000 0.297 1604 Y C 1.147 177.031 175.900 -0.026 0.000 1.176 1604 Y CA -0.232 57.861 58.100 -0.013 0.000 1.315 1604 Y CB 0.151 38.611 38.460 0.001 0.000 1.031 1604 Y HN -0.135 nan 8.280 nan 0.000 0.524 1605 I N 0.074 120.695 120.570 0.085 0.000 2.441 1605 I HA 0.420 4.590 4.170 0.001 0.000 0.295 1605 I C -0.872 175.002 176.117 -0.405 0.000 0.994 1605 I CA -1.005 60.213 61.300 -0.137 0.000 1.144 1605 I CB 2.168 40.086 38.000 -0.136 0.000 1.314 1605 I HN -0.350 nan 8.210 nan 0.000 0.445 1606 V N 6.506 126.117 119.914 -0.504 0.000 2.789 1606 V HA 0.438 4.558 4.120 0.001 0.000 0.311 1606 V C -1.470 174.325 176.094 -0.500 0.000 1.073 1606 V CA -0.446 61.550 62.300 -0.507 0.000 0.921 1606 V CB 2.274 33.873 31.823 -0.374 0.000 1.009 1606 V HN 0.485 nan 8.190 nan 0.000 0.426 1607 Y N 6.166 126.422 120.300 -0.073 0.000 2.587 1607 Y HA 0.497 5.047 4.550 0.001 0.000 0.328 1607 Y C -2.277 173.649 175.900 0.043 0.000 0.980 1607 Y CA -3.064 55.032 58.100 -0.006 0.000 1.272 1607 Y CB 0.920 39.338 38.460 -0.070 0.000 1.094 1607 Y HN 0.461 nan 8.280 nan 0.000 0.503 1608 P HA 0.095 nan 4.420 nan 0.000 0.276 1608 P C 0.360 177.750 177.300 0.149 0.000 1.235 1608 P CA -0.165 63.025 63.100 0.150 0.000 0.772 1608 P CB 1.184 32.925 31.700 0.068 0.000 0.871 1609 S N 2.682 118.452 115.700 0.116 0.000 2.602 1609 S HA 0.295 4.765 4.470 0.001 0.000 0.240 1609 S C 0.293 174.786 174.600 -0.178 0.000 0.992 1609 S CA -0.543 57.623 58.200 -0.058 0.000 0.971 1609 S CB -0.358 62.728 63.200 -0.190 0.000 0.855 1609 S HN 0.565 nan 8.310 nan 0.000 0.481 1610 R N -1.025 119.401 120.500 -0.124 0.000 2.664 1610 R HA 0.554 4.894 4.340 0.001 0.000 0.266 1610 R C -1.479 174.745 176.300 -0.126 0.000 1.046 1610 R CA -0.579 55.428 56.100 -0.154 0.000 0.885 1610 R CB 0.324 30.516 30.300 -0.179 0.000 1.254 1610 R HN -0.051 nan 8.270 nan 0.000 0.465 1611 S N 1.892 117.495 115.700 -0.162 0.000 2.537 1611 S HA 0.253 4.723 4.470 0.001 0.000 0.286 1611 S C 0.159 174.655 174.600 -0.173 0.000 1.299 1611 S CA -0.155 57.938 58.200 -0.178 0.000 1.067 1611 S CB 0.051 63.093 63.200 -0.264 0.000 0.864 1611 S HN 0.341 nan 8.310 nan 0.000 0.494 1612 I N 3.559 124.037 120.570 -0.154 0.000 2.355 1612 I HA 0.275 4.445 4.170 0.001 0.000 0.288 1612 I C -0.113 175.860 176.117 -0.240 0.000 0.999 1612 I CA -0.912 60.283 61.300 -0.176 0.000 1.163 1612 I CB 1.430 39.344 38.000 -0.144 0.000 1.316 1612 I HN 0.322 nan 8.210 nan 0.000 0.454 1613 K N 6.291 126.515 120.400 -0.292 0.000 2.285 1613 K HA 0.329 4.649 4.320 0.001 0.000 0.286 1613 K C -0.147 176.206 176.600 -0.411 0.000 1.072 1613 K CA -0.212 55.866 56.287 -0.349 0.000 0.913 1613 K CB 0.556 32.779 32.500 -0.461 0.000 1.067 1613 K HN 0.721 nan 8.250 nan 0.000 0.479 1614 T N -0.009 114.357 114.554 -0.313 0.000 2.919 1614 T HA 0.294 4.644 4.350 0.001 0.000 0.282 1614 T C 0.618 175.537 174.700 0.365 0.000 1.020 1614 T CA -0.314 61.541 62.100 -0.408 0.000 0.994 1614 T CB 0.867 69.349 68.868 -0.642 0.000 1.180 1614 T HN 0.509 nan 8.240 nan 0.000 0.566 1615 D N -0.661 120.119 120.400 0.633 0.000 2.269 1615 D HA 0.318 4.958 4.640 0.001 0.000 0.208 1615 D C 1.109 177.635 176.300 0.378 0.000 0.963 1615 D CA 0.823 55.149 54.000 0.543 0.000 0.864 1615 D CB -0.579 40.529 40.800 0.513 0.000 0.936 1615 D HN 1.164 nan 8.370 nan 0.000 0.505 1616 G N -0.866 108.125 108.800 0.319 0.000 2.353 1616 G HA2 0.315 4.275 3.960 0.001 0.000 0.308 1616 G HA3 0.315 4.275 3.960 0.001 0.000 0.308 1616 G C -1.683 173.369 174.900 0.253 0.000 1.418 1616 G CA -0.795 44.464 45.100 0.266 0.000 0.966 1616 G HN 0.104 nan 8.290 nan 0.000 0.638 1617 I N 0.249 120.978 120.570 0.265 0.000 2.569 1617 I HA 0.403 4.574 4.170 0.001 0.000 0.296 1617 I C 0.761 177.047 176.117 0.281 0.000 1.028 1617 I CA -0.967 60.480 61.300 0.245 0.000 1.082 1617 I CB 2.292 40.414 38.000 0.202 0.000 1.264 1617 I HN 0.669 nan 8.210 nan 0.000 0.429 1618 K N 3.090 123.614 120.400 0.206 0.000 2.108 1618 K HA 0.401 4.722 4.320 0.001 0.000 0.204 1618 K C 0.463 177.070 176.600 0.011 0.000 1.036 1618 K CA 0.578 56.942 56.287 0.128 0.000 0.965 1618 K CB 0.295 32.843 32.500 0.079 0.000 0.804 1618 K HN 0.715 nan 8.250 nan 0.000 0.454 1619 A N 0.910 123.734 122.820 0.006 0.000 2.515 1619 A HA 0.666 4.986 4.320 0.001 0.000 0.296 1619 A C -1.298 176.319 177.584 0.055 0.000 1.094 1619 A CA -0.765 51.227 52.037 -0.077 0.000 0.718 1619 A CB 0.897 19.779 19.000 -0.196 0.000 1.307 1619 A HN 0.242 nan 8.150 nan 0.000 0.408 1620 F N -0.441 119.474 119.950 -0.058 0.000 2.613 1620 F HA 0.845 5.373 4.527 0.001 0.000 0.314 1620 F C -0.283 175.479 175.800 -0.064 0.000 1.075 1620 F CA -0.934 57.042 58.000 -0.039 0.000 0.945 1620 F CB 1.850 40.836 39.000 -0.025 0.000 1.310 1620 F HN 0.509 nan 8.300 nan 0.000 0.467 1621 S N 2.341 118.158 115.700 0.194 0.000 2.718 1621 S HA 0.511 4.982 4.470 0.001 0.000 0.294 1621 S C -1.605 173.077 174.600 0.136 0.000 1.157 1621 S CA -0.582 57.647 58.200 0.048 0.000 1.121 1621 S CB 0.836 64.008 63.200 -0.047 0.000 1.015 1621 S HN 1.079 nan 8.310 nan 0.000 0.479 1622 V N 6.886 126.919 119.914 0.198 0.000 2.353 1622 V HA 0.704 4.824 4.120 0.001 0.000 0.264 1622 V C 0.176 176.250 176.094 -0.033 0.000 1.049 1622 V CA 0.349 62.715 62.300 0.110 0.000 0.896 1622 V CB 0.512 32.446 31.823 0.186 0.000 1.025 1622 V HN 0.997 nan 8.190 nan 0.000 0.475 1623 T N 3.468 117.959 114.554 -0.105 0.000 2.932 1623 T HA 0.883 5.233 4.350 0.001 0.000 0.289 1623 T C -0.311 174.293 174.700 -0.160 0.000 1.039 1623 T CA 0.039 62.021 62.100 -0.196 0.000 1.024 1623 T CB 1.914 70.630 68.868 -0.254 0.000 1.090 1623 T HN 1.335 nan 8.240 nan 0.000 0.496 1624 S N 0.828 116.322 115.700 -0.343 0.000 2.587 1624 S HA 0.799 5.269 4.470 0.001 0.000 0.269 1624 S C -1.812 172.353 174.600 -0.724 0.000 1.154 1624 S CA -0.968 57.003 58.200 -0.381 0.000 0.824 1624 S CB 0.916 63.936 63.200 -0.299 0.000 1.118 1624 S HN 0.651 nan 8.310 nan 0.000 0.462 1625 F N -0.247 119.256 119.950 -0.746 0.000 2.664 1625 F HA 0.981 5.508 4.527 0.001 0.000 0.329 1625 F C 0.945 176.542 175.800 -0.338 0.000 1.090 1625 F CA 0.008 57.773 58.000 -0.393 0.000 0.978 1625 F CB 2.076 40.956 39.000 -0.201 0.000 1.378 1625 F HN 1.155 nan 8.300 nan 0.000 0.495 1626 G N -0.493 108.360 108.800 0.088 0.000 2.645 1626 G HA2 0.541 4.502 3.960 0.001 0.000 0.292 1626 G HA3 0.541 4.502 3.960 0.001 0.000 0.292 1626 G C -1.975 173.028 174.900 0.173 0.000 1.415 1626 G CA -0.768 44.431 45.100 0.165 0.000 0.785 1626 G HN 0.246 nan 8.290 nan 0.000 0.483 1627 F N 0.602 120.616 119.950 0.106 0.000 2.496 1627 F HA 0.439 4.966 4.527 0.001 0.000 0.344 1627 F C 1.492 177.334 175.800 0.070 0.000 1.155 1627 F CA 1.417 59.478 58.000 0.102 0.000 1.302 1627 F CB 1.107 40.177 39.000 0.116 0.000 1.159 1627 F HN 1.162 nan 8.300 nan 0.000 0.595 1628 G N 2.047 110.967 108.800 0.199 0.000 2.289 1628 G HA2 -0.310 3.651 3.960 0.001 0.000 0.280 1628 G HA3 -0.310 3.651 3.960 0.001 0.000 0.280 1628 G C 0.200 175.149 174.900 0.082 0.000 1.089 1628 G CA 0.165 45.342 45.100 0.129 0.000 0.939 1628 G HN 0.811 nan 8.290 nan 0.000 0.499 1629 Q N -2.283 117.555 119.800 0.062 0.000 2.435 1629 Q HA -0.245 4.095 4.340 0.001 0.000 0.286 1629 Q C 0.678 176.706 176.000 0.048 0.000 1.229 1629 Q CA 1.632 57.468 55.803 0.054 0.000 0.884 1629 Q CB -0.540 28.223 28.738 0.041 0.000 1.245 1629 Q HN 0.658 nan 8.270 nan 0.000 0.488 1630 K N 0.723 121.154 120.400 0.052 0.000 2.263 1630 K HA 0.428 4.748 4.320 0.001 0.000 0.282 1630 K C -0.027 176.545 176.600 -0.046 0.000 1.089 1630 K CA 0.259 56.553 56.287 0.010 0.000 0.907 1630 K CB 0.944 33.462 32.500 0.029 0.000 1.148 1630 K HN 0.285 nan 8.250 nan 0.000 0.470 1631 G N 1.807 110.536 108.800 -0.119 0.000 2.557 1631 G HA2 0.716 4.677 3.960 0.001 0.000 0.310 1631 G HA3 0.716 4.677 3.960 0.001 0.000 0.310 1631 G C -1.413 173.281 174.900 -0.344 0.000 1.328 1631 G CA -0.606 44.292 45.100 -0.337 0.000 0.945 1631 G HN 0.631 nan 8.290 nan 0.000 0.494 1632 A N 2.295 124.849 122.820 -0.444 0.000 2.455 1632 A HA 0.848 5.168 4.320 0.001 0.000 0.300 1632 A C -0.733 176.655 177.584 -0.328 0.000 1.040 1632 A CA -0.661 51.195 52.037 -0.302 0.000 0.697 1632 A CB 2.163 21.040 19.000 -0.205 0.000 1.265 1632 A HN 0.717 nan 8.150 nan 0.000 0.407 1633 Q N 1.038 120.689 119.800 -0.248 0.000 2.372 1633 Q HA 0.742 5.082 4.340 0.001 0.000 0.273 1633 Q C -1.224 174.667 176.000 -0.182 0.000 1.078 1633 Q CA -0.691 54.979 55.803 -0.223 0.000 0.806 1633 Q CB 2.272 30.877 28.738 -0.223 0.000 1.332 1633 Q HN 1.352 nan 8.270 nan 0.000 0.435 1634 A N 3.999 126.723 122.820 -0.160 0.000 2.435 1634 A HA 0.740 5.061 4.320 0.001 0.000 0.304 1634 A C -1.296 176.150 177.584 -0.230 0.000 1.064 1634 A CA -0.654 51.274 52.037 -0.182 0.000 0.727 1634 A CB 1.293 20.214 19.000 -0.132 0.000 1.284 1634 A HN 0.642 nan 8.150 nan 0.000 0.415 1635 I N 1.697 122.070 120.570 -0.329 0.000 2.433 1635 I HA 0.555 4.725 4.170 0.001 0.000 0.292 1635 I C 0.564 176.274 176.117 -0.678 0.000 1.001 1635 I CA -0.209 60.803 61.300 -0.479 0.000 1.119 1635 I CB 1.206 38.992 38.000 -0.356 0.000 1.289 1635 I HN 0.765 nan 8.210 nan 0.000 0.438 1636 G N 4.891 112.903 108.800 -1.315 0.000 2.448 1636 G HA2 0.639 4.599 3.960 0.001 0.000 0.324 1636 G HA3 0.639 4.599 3.960 0.001 0.000 0.324 1636 G C -1.283 173.142 174.900 -0.791 0.000 1.203 1636 G CA -0.407 43.963 45.100 -1.217 0.000 0.954 1636 G HN 0.321 nan 8.290 nan 0.000 0.480 1637 V N 2.491 122.124 119.914 -0.469 0.000 2.588 1637 V HA 0.288 4.409 4.120 0.001 0.000 0.304 1637 V C -0.075 175.876 176.094 -0.239 0.000 1.042 1637 V CA -1.049 61.002 62.300 -0.414 0.000 0.877 1637 V CB 1.579 33.011 31.823 -0.652 0.000 0.996 1637 V HN 0.872 nan 8.190 nan 0.000 0.425 1638 H N 6.824 125.787 119.070 -0.179 0.000 3.038 1638 H HA 0.024 4.580 4.556 0.001 0.000 0.338 1638 H C -1.774 173.556 175.328 0.004 0.000 1.041 1638 H CA -0.792 55.263 56.048 0.013 0.000 1.394 1638 H CB 1.673 31.531 29.762 0.160 0.000 1.357 1638 H HN 0.349 nan 8.280 nan 0.000 0.600 1639 P HA -0.230 nan 4.420 nan 0.000 0.216 1639 P C 1.451 178.857 177.300 0.177 0.000 1.154 1639 P CA 2.731 65.889 63.100 0.097 0.000 0.865 1639 P CB 0.072 31.908 31.700 0.227 0.000 0.789 1640 K N -0.907 119.855 120.400 0.604 0.000 2.052 1640 K HA -0.263 4.057 4.320 0.001 0.000 0.215 1640 K C 1.830 178.561 176.600 0.218 0.000 1.053 1640 K CA 2.003 58.527 56.287 0.394 0.000 0.934 1640 K CB -1.704 30.813 32.500 0.029 0.000 0.717 1640 K HN 0.093 nan 8.250 nan 0.000 0.450 1641 Y N 1.013 121.354 120.300 0.068 0.000 2.256 1641 Y HA -0.162 4.388 4.550 0.001 0.000 0.288 1641 Y C 2.349 178.404 175.900 0.259 0.000 1.155 1641 Y CA 1.194 59.378 58.100 0.140 0.000 1.203 1641 Y CB -0.527 37.997 38.460 0.106 0.000 0.980 1641 Y HN 0.148 nan 8.280 nan 0.000 0.530 1642 L N -1.222 120.054 121.223 0.087 0.000 2.027 1642 L HA -0.147 4.193 4.340 0.001 0.000 0.206 1642 L C 1.870 178.828 176.870 0.146 0.000 1.074 1642 L CA 1.622 56.553 54.840 0.151 0.000 0.745 1642 L CB -0.768 41.103 42.059 -0.313 0.000 0.898 1642 L HN 0.040 nan 8.230 nan 0.000 0.433 1643 F N 0.516 120.610 119.950 0.241 0.000 2.307 1643 F HA -0.068 4.460 4.527 0.001 0.000 0.301 1643 F C 2.359 178.282 175.800 0.205 0.000 1.076 1643 F CA 0.704 58.836 58.000 0.219 0.000 1.383 1643 F CB -1.416 37.691 39.000 0.178 0.000 1.055 1643 F HN 0.208 nan 8.300 nan 0.000 0.526 1644 A N -1.007 122.002 122.820 0.314 0.000 2.265 1644 A HA 0.085 4.405 4.320 0.001 0.000 0.213 1644 A C 1.782 179.497 177.584 0.217 0.000 1.255 1644 A CA 0.992 53.156 52.037 0.212 0.000 0.862 1644 A CB -1.009 18.033 19.000 0.069 0.000 0.852 1644 A HN 0.275 nan 8.150 nan 0.000 0.484 1645 T N -0.187 114.517 114.554 0.250 0.000 3.014 1645 T HA 0.298 4.648 4.350 0.001 0.000 0.250 1645 T C 0.807 175.610 174.700 0.172 0.000 1.060 1645 T CA 0.154 62.360 62.100 0.177 0.000 1.040 1645 T CB -0.141 68.823 68.868 0.159 0.000 0.971 1645 T HN 0.383 nan 8.240 nan 0.000 0.497 1646 L N 0.381 121.742 121.223 0.231 0.000 2.874 1646 L HA 0.594 4.935 4.340 0.001 0.000 0.229 1646 L C -0.352 176.625 176.870 0.179 0.000 1.200 1646 L CA -1.255 53.697 54.840 0.187 0.000 0.976 1646 L CB 0.336 42.519 42.059 0.207 0.000 1.887 1646 L HN -0.055 nan 8.230 nan 0.000 0.543 1647 D N -0.952 119.489 120.400 0.068 0.000 2.269 1647 D HA 0.152 4.793 4.640 0.001 0.000 0.244 1647 D C 0.315 176.395 176.300 -0.366 0.000 0.992 1647 D CA -0.607 53.383 54.000 -0.016 0.000 0.894 1647 D CB 2.225 43.022 40.800 -0.006 0.000 1.248 1647 D HN 0.400 nan 8.370 nan 0.000 0.468 1648 K N 1.064 120.985 120.400 -0.800 0.000 2.228 1648 K HA -0.249 4.071 4.320 0.001 0.000 0.205 1648 K C 1.533 177.818 176.600 -0.524 0.000 1.045 1648 K CA 1.460 56.942 56.287 -1.342 0.000 0.931 1648 K CB -0.018 31.758 32.500 -1.208 0.000 0.727 1648 K HN 0.460 nan 8.250 nan 0.000 0.458 1649 A N 1.409 124.067 122.820 -0.270 0.000 1.842 1649 A HA -0.297 4.023 4.320 0.001 0.000 0.217 1649 A C 2.087 179.612 177.584 -0.098 0.000 1.206 1649 A CA 2.088 54.047 52.037 -0.131 0.000 0.630 1649 A CB -0.848 18.115 19.000 -0.062 0.000 0.839 1649 A HN 0.567 nan 8.150 nan 0.000 0.447 1650 Q N -2.103 117.663 119.800 -0.056 0.000 1.993 1650 Q HA -0.209 4.131 4.340 0.001 0.000 0.202 1650 Q C 2.138 178.154 176.000 0.027 0.000 0.984 1650 Q CA 1.779 57.586 55.803 0.008 0.000 0.837 1650 Q CB -0.552 28.214 28.738 0.048 0.000 0.902 1650 Q HN 0.766 nan 8.270 nan 0.000 0.423 1651 Y N 1.821 122.053 120.300 -0.112 0.000 2.102 1651 Y HA -0.320 4.231 4.550 0.001 0.000 0.280 1651 Y C 2.051 177.916 175.900 -0.059 0.000 1.178 1651 Y CA 2.137 60.191 58.100 -0.077 0.000 1.146 1651 Y CB -0.037 38.311 38.460 -0.186 0.000 0.968 1651 Y HN 0.138 nan 8.280 nan 0.000 0.504 1652 E N -0.746 119.367 120.200 -0.144 0.000 2.427 1652 E HA 0.004 4.355 4.350 0.001 0.000 0.196 1652 E C 1.968 178.477 176.600 -0.152 0.000 1.028 1652 E CA 0.523 56.813 56.400 -0.183 0.000 0.864 1652 E CB -0.109 29.513 29.700 -0.130 0.000 0.813 1652 E HN 0.584 nan 8.360 nan 0.000 0.514 1653 A N -0.033 122.730 122.820 -0.095 0.000 1.984 1653 A HA -0.099 4.221 4.320 0.001 0.000 0.214 1653 A C 1.841 179.401 177.584 -0.041 0.000 1.173 1653 A CA 0.562 52.567 52.037 -0.054 0.000 0.673 1653 A CB -0.497 18.494 19.000 -0.015 0.000 0.830 1653 A HN 0.514 nan 8.150 nan 0.000 0.453 1654 Y N -0.029 120.171 120.300 -0.166 0.000 2.200 1654 Y HA -0.213 4.337 4.550 0.001 0.000 0.290 1654 Y C 2.264 178.029 175.900 -0.225 0.000 1.137 1654 Y CA 1.541 59.545 58.100 -0.160 0.000 1.163 1654 Y CB -0.768 37.614 38.460 -0.130 0.000 0.988 1654 Y HN 0.300 nan 8.280 nan 0.000 0.518 1655 C N -0.117 118.908 119.300 -0.458 0.000 2.409 1655 C HA -0.132 4.328 4.460 0.001 0.000 0.284 1655 C C 2.626 177.405 174.990 -0.351 0.000 1.354 1655 C CA 1.174 59.870 59.018 -0.535 0.000 1.787 1655 C CB -1.293 26.153 27.740 -0.490 0.000 1.900 1655 C HN 0.570 nan 8.230 nan 0.000 0.520 1656 V N 0.330 120.091 119.914 -0.255 0.000 2.599 1656 V HA -0.101 4.019 4.120 0.001 0.000 0.245 1656 V C 2.337 178.337 176.094 -0.157 0.000 1.046 1656 V CA 1.369 63.569 62.300 -0.167 0.000 1.065 1656 V CB -0.515 31.242 31.823 -0.110 0.000 0.703 1656 V HN 0.517 nan 8.190 nan 0.000 0.464 1657 K N 0.334 120.626 120.400 -0.181 0.000 2.026 1657 K HA -0.134 4.186 4.320 0.001 0.000 0.208 1657 K C 2.163 178.672 176.600 -0.152 0.000 1.048 1657 K CA 1.462 57.667 56.287 -0.137 0.000 0.929 1657 K CB -0.536 31.894 32.500 -0.115 0.000 0.713 1657 K HN 0.294 nan 8.250 nan 0.000 0.439 1658 V N 1.969 121.704 119.914 -0.297 0.000 2.252 1658 V HA -0.315 3.806 4.120 0.001 0.000 0.249 1658 V C 2.186 178.283 176.094 0.005 0.000 1.056 1658 V CA 1.917 64.107 62.300 -0.183 0.000 1.022 1658 V CB -0.504 31.083 31.823 -0.393 0.000 0.641 1658 V HN 0.389 nan 8.190 nan 0.000 0.445 1659 Q N -0.807 118.941 119.800 -0.085 0.000 2.369 1659 Q HA -0.017 4.324 4.340 0.001 0.000 0.206 1659 Q C 2.236 178.184 176.000 -0.087 0.000 0.963 1659 Q CA 1.183 56.935 55.803 -0.086 0.000 0.894 1659 Q CB -0.288 28.389 28.738 -0.101 0.000 0.965 1659 Q HN 0.712 nan 8.270 nan 0.000 0.475 1660 A N 1.062 123.844 122.820 -0.065 0.000 1.872 1660 A HA -0.135 4.185 4.320 0.001 0.000 0.214 1660 A C 1.962 179.529 177.584 -0.029 0.000 1.187 1660 A CA 0.882 52.890 52.037 -0.049 0.000 0.614 1660 A CB -0.221 18.756 19.000 -0.039 0.000 0.826 1660 A HN 0.156 nan 8.150 nan 0.000 0.442 1661 R N -0.811 119.700 120.500 0.018 0.000 2.080 1661 R HA -0.171 4.169 4.340 0.001 0.000 0.236 1661 R C 2.454 178.749 176.300 -0.008 0.000 1.137 1661 R CA 1.534 57.682 56.100 0.080 0.000 0.943 1661 R CB -0.370 30.073 30.300 0.238 0.000 0.846 1661 R HN 0.622 nan 8.270 nan 0.000 0.431 1662 Q N 1.259 120.940 119.800 -0.200 0.000 2.308 1662 Q HA -0.189 4.151 4.340 0.001 0.000 0.209 1662 Q C 1.178 177.019 176.000 -0.265 0.000 0.985 1662 Q CA 1.660 57.064 55.803 -0.664 0.000 0.881 1662 Q CB 0.126 28.370 28.738 -0.824 0.000 0.917 1662 Q HN 0.281 nan 8.270 nan 0.000 0.443 1663 K N -0.630 119.691 120.400 -0.132 0.000 2.284 1663 K HA 0.022 4.343 4.320 0.001 0.000 0.198 1663 K C 2.063 178.688 176.600 0.042 0.000 1.048 1663 K CA 0.419 56.677 56.287 -0.047 0.000 0.987 1663 K CB 0.326 32.778 32.500 -0.080 0.000 0.800 1663 K HN 0.032 nan 8.250 nan 0.000 0.486 1664 K N 0.666 121.071 120.400 0.009 0.000 2.031 1664 K HA -0.018 4.303 4.320 0.001 0.000 0.205 1664 K C 2.154 178.786 176.600 0.053 0.000 1.049 1664 K CA 1.195 57.495 56.287 0.023 0.000 0.939 1664 K CB -0.092 32.398 32.500 -0.017 0.000 0.717 1664 K HN 0.071 nan 8.250 nan 0.000 0.438 1665 A N 0.829 123.649 122.820 0.000 0.000 1.883 1665 A HA -0.241 4.079 4.320 0.001 0.000 0.217 1665 A C 2.107 179.660 177.584 -0.052 0.000 1.186 1665 A CA 1.607 53.599 52.037 -0.075 0.000 0.624 1665 A CB -0.932 17.928 19.000 -0.233 0.000 0.822 1665 A HN 0.476 nan 8.150 nan 0.000 0.444 1666 Y N 0.415 120.658 120.300 -0.095 0.000 2.128 1666 Y HA -0.268 4.282 4.550 0.001 0.000 0.284 1666 Y C 2.552 178.578 175.900 0.210 0.000 1.154 1666 Y CA 2.409 60.560 58.100 0.085 0.000 1.149 1666 Y CB -0.302 38.184 38.460 0.043 0.000 0.976 1666 Y HN 0.334 nan 8.280 nan 0.000 0.505 1667 R N -0.683 119.983 120.500 0.277 0.000 2.073 1667 R HA -0.216 4.124 4.340 0.001 0.000 0.234 1667 R C 2.169 178.581 176.300 0.188 0.000 1.134 1667 R CA 1.866 58.082 56.100 0.194 0.000 0.952 1667 R CB -0.860 29.549 30.300 0.181 0.000 0.850 1667 R HN 0.422 nan 8.270 nan 0.000 0.433 1668 F N 0.893 120.853 119.950 0.016 0.000 2.046 1668 F HA -0.209 4.318 4.527 0.001 0.000 0.297 1668 F C 1.951 177.756 175.800 0.008 0.000 1.123 1668 F CA 1.420 59.421 58.000 0.001 0.000 1.199 1668 F CB -1.120 37.872 39.000 -0.014 0.000 0.972 1668 F HN 0.070 nan 8.300 nan 0.000 0.474 1669 F N 0.464 120.324 119.950 -0.150 0.000 2.091 1669 F HA -0.299 4.228 4.527 0.001 0.000 0.299 1669 F C 2.839 178.439 175.800 -0.333 0.000 1.103 1669 F CA 2.435 60.275 58.000 -0.267 0.000 1.228 1669 F CB -0.751 38.193 39.000 -0.093 0.000 0.984 1669 F HN 0.080 nan 8.300 nan 0.000 0.477 1670 H N -0.724 118.257 119.070 -0.148 0.000 2.395 1670 H HA -0.118 4.439 4.556 0.001 0.000 0.299 1670 H C 1.976 177.132 175.328 -0.285 0.000 1.070 1670 H CA 1.464 57.347 56.048 -0.274 0.000 1.356 1670 H CB -0.605 28.996 29.762 -0.268 0.000 1.401 1670 H HN 0.345 nan 8.280 nan 0.000 0.524 1671 N N 0.894 119.546 118.700 -0.080 0.000 2.104 1671 N HA -0.110 4.631 4.740 0.001 0.000 0.190 1671 N C 2.199 177.603 175.510 -0.177 0.000 1.024 1671 N CA 1.652 54.654 53.050 -0.081 0.000 0.853 1671 N CB -0.512 37.992 38.487 0.029 0.000 1.008 1671 N HN 0.266 nan 8.380 nan 0.000 0.424 1672 G N 0.397 108.990 108.800 -0.345 0.000 2.394 1672 G HA2 -0.082 3.879 3.960 0.001 0.000 0.215 1672 G HA3 -0.082 3.879 3.960 0.001 0.000 0.215 1672 G C 1.572 176.250 174.900 -0.369 0.000 1.165 1672 G CA 0.328 45.188 45.100 -0.400 0.000 0.784 1672 G HN 0.307 nan 8.290 nan 0.000 0.535 1673 L N 0.034 120.870 121.223 -0.644 0.000 2.042 1673 L HA -0.065 4.275 4.340 0.001 0.000 0.210 1673 L C 2.854 179.606 176.870 -0.196 0.000 1.076 1673 L CA 1.137 55.510 54.840 -0.778 0.000 0.749 1673 L CB -0.293 41.104 42.059 -1.104 0.000 0.893 1673 L HN 0.254 nan 8.230 nan 0.000 0.432 1674 I N -0.386 120.096 120.570 -0.146 0.000 2.286 1674 I HA -0.233 3.937 4.170 0.001 0.000 0.245 1674 I C 1.487 177.642 176.117 0.064 0.000 1.104 1674 I CA 1.076 62.373 61.300 -0.006 0.000 1.397 1674 I CB -0.130 37.800 38.000 -0.116 0.000 1.072 1674 I HN 0.277 nan 8.210 nan 0.000 0.417 1675 N N 0.700 119.403 118.700 0.005 0.000 2.280 1675 N HA 0.035 4.776 4.740 0.001 0.000 0.192 1675 N C -0.384 175.151 175.510 0.042 0.000 1.109 1675 N CA 0.166 53.229 53.050 0.022 0.000 0.855 1675 N CB -0.010 38.476 38.487 -0.001 0.000 0.974 1675 N HN 0.143 nan 8.380 nan 0.000 0.482 1676 N N 0.277 119.023 118.700 0.076 0.000 2.780 1676 N HA -0.175 4.565 4.740 0.001 0.000 0.247 1676 N C -0.618 174.935 175.510 0.071 0.000 1.076 1676 N CA 0.604 53.715 53.050 0.101 0.000 0.688 1676 N CB -1.110 37.407 38.487 0.050 0.000 0.957 1676 N HN 0.350 nan 8.380 nan 0.000 0.551 1677 K N 0.532 120.946 120.400 0.023 0.000 3.278 1677 K HA 0.329 4.650 4.320 0.001 0.000 0.200 1677 K C 1.307 177.859 176.600 -0.079 0.000 1.107 1677 K CA -0.280 56.026 56.287 0.032 0.000 0.923 1677 K CB 0.494 33.020 32.500 0.044 0.000 0.787 1677 K HN 0.082 nan 8.250 nan 0.000 0.481 1678 L N 0.259 121.468 121.223 -0.023 0.000 2.376 1678 L HA 0.076 4.417 4.340 0.001 0.000 0.219 1678 L C 0.272 177.228 176.870 0.144 0.000 1.133 1678 L CA 1.009 55.810 54.840 -0.066 0.000 0.816 1678 L CB -0.103 42.039 42.059 0.140 0.000 0.933 1678 L HN 0.269 nan 8.230 nan 0.000 0.449 1679 F N 0.403 120.410 119.950 0.094 0.000 2.427 1679 F HA 0.436 4.963 4.527 0.001 0.000 0.348 1679 F C -0.482 175.384 175.800 0.109 0.000 1.125 1679 F CA -0.646 57.425 58.000 0.118 0.000 0.989 1679 F CB 1.418 40.489 39.000 0.117 0.000 1.165 1679 F HN -0.445 nan 8.300 nan 0.000 0.442 1680 V N 6.330 126.193 119.914 -0.085 0.000 2.357 1680 V HA 0.581 4.701 4.120 0.001 0.000 0.284 1680 V C 0.041 176.045 176.094 -0.149 0.000 1.018 1680 V CA -0.784 61.520 62.300 0.006 0.000 0.841 1680 V CB 1.234 33.087 31.823 0.050 0.000 0.991 1680 V HN 0.902 nan 8.190 nan 0.000 0.437 1681 A N 6.178 129.061 122.820 0.105 0.000 2.409 1681 A HA 0.479 4.800 4.320 0.001 0.000 0.267 1681 A C 0.279 177.892 177.584 0.049 0.000 1.127 1681 A CA -0.336 51.788 52.037 0.146 0.000 0.795 1681 A CB 0.146 19.328 19.000 0.302 0.000 1.061 1681 A HN 0.620 nan 8.150 nan 0.000 0.502 1682 K N 2.228 122.630 120.400 0.003 0.000 2.322 1682 K HA 0.129 4.450 4.320 0.001 0.000 0.283 1682 K C -0.141 176.502 176.600 0.071 0.000 1.042 1682 K CA -0.144 56.141 56.287 -0.004 0.000 0.958 1682 K CB 1.172 33.629 32.500 -0.071 0.000 0.984 1682 K HN 0.723 nan 8.250 nan 0.000 0.473 1683 D N 1.468 121.911 120.400 0.072 0.000 2.429 1683 D HA -0.002 4.638 4.640 0.001 0.000 0.242 1683 D C 0.185 176.529 176.300 0.075 0.000 1.076 1683 D CA 0.953 54.999 54.000 0.077 0.000 0.955 1683 D CB 0.287 41.125 40.800 0.064 0.000 1.076 1683 D HN 0.163 nan 8.370 nan 0.000 0.448 1684 K N 1.142 121.583 120.400 0.068 0.000 2.185 1684 K HA 0.548 4.868 4.320 0.001 0.000 0.271 1684 K C -0.110 176.527 176.600 0.062 0.000 1.013 1684 K CA -0.389 55.922 56.287 0.041 0.000 0.943 1684 K CB 1.446 33.959 32.500 0.021 0.000 0.998 1684 K HN 0.059 nan 8.250 nan 0.000 0.468 1685 A N 3.704 126.491 122.820 -0.055 0.000 2.310 1685 A HA 0.266 4.587 4.320 0.001 0.000 0.260 1685 A C -1.493 175.912 177.584 -0.299 0.000 1.112 1685 A CA -0.815 51.120 52.037 -0.169 0.000 0.804 1685 A CB -0.417 18.294 19.000 -0.481 0.000 1.081 1685 A HN 0.463 nan 8.150 nan 0.000 0.499 1686 P HA -0.040 nan 4.420 nan 0.000 0.216 1686 P C -0.307 176.918 177.300 -0.124 0.000 1.153 1686 P CA 1.294 64.082 63.100 -0.520 0.000 0.848 1686 P CB -0.190 31.020 31.700 -0.816 0.000 0.787 1687 Y N -0.877 119.514 120.300 0.152 0.000 2.323 1687 Y HA 0.489 5.040 4.550 0.001 0.000 0.331 1687 Y C 0.498 176.462 175.900 0.107 0.000 1.092 1687 Y CA -1.775 56.463 58.100 0.231 0.000 1.150 1687 Y CB 0.088 38.711 38.460 0.272 0.000 1.200 1687 Y HN -0.170 nan 8.280 nan 0.000 0.472 1688 E N 2.189 122.499 120.200 0.183 0.000 2.438 1688 E HA -0.090 4.260 4.350 0.001 0.000 0.261 1688 E C 0.048 176.740 176.600 0.153 0.000 1.103 1688 E CA -0.015 56.448 56.400 0.105 0.000 0.959 1688 E CB 0.558 30.310 29.700 0.086 0.000 0.958 1688 E HN 0.715 nan 8.360 nan 0.000 0.447 1689 D N 1.526 121.980 120.400 0.088 0.000 2.144 1689 D HA -0.172 4.468 4.640 0.001 0.000 0.199 1689 D C 2.001 178.345 176.300 0.075 0.000 0.984 1689 D CA 1.234 55.289 54.000 0.091 0.000 0.834 1689 D CB -0.099 40.724 40.800 0.039 0.000 0.955 1689 D HN 0.484 nan 8.370 nan 0.000 0.465 1690 R N 1.037 121.568 120.500 0.052 0.000 2.159 1690 R HA -0.090 4.251 4.340 0.001 0.000 0.237 1690 R C 2.116 178.426 176.300 0.016 0.000 1.131 1690 R CA 1.240 57.354 56.100 0.025 0.000 0.982 1690 R CB -0.641 29.672 30.300 0.022 0.000 0.868 1690 R HN 0.224 nan 8.270 nan 0.000 0.453 1691 I N 0.836 121.435 120.570 0.050 0.000 2.876 1691 I HA -0.083 4.087 4.170 0.001 0.000 0.264 1691 I C 2.691 178.773 176.117 -0.058 0.000 1.204 1691 I CA 0.504 61.812 61.300 0.014 0.000 1.485 1691 I CB -0.464 37.571 38.000 0.059 0.000 1.103 1691 I HN 0.285 nan 8.210 nan 0.000 0.446 1692 Q N 1.625 121.404 119.800 -0.035 0.000 2.047 1692 Q HA -0.290 4.051 4.340 0.001 0.000 0.211 1692 Q C 2.270 178.053 176.000 -0.361 0.000 1.005 1692 Q CA 2.847 58.505 55.803 -0.243 0.000 0.866 1692 Q CB -0.082 28.554 28.738 -0.170 0.000 0.938 1692 Q HN 0.445 nan 8.270 nan 0.000 0.414 1693 S N 0.151 115.681 115.700 -0.283 0.000 2.383 1693 S HA -0.157 4.314 4.470 0.001 0.000 0.229 1693 S C 1.728 176.263 174.600 -0.108 0.000 1.030 1693 S CA 1.513 59.576 58.200 -0.228 0.000 1.002 1693 S CB -0.128 62.978 63.200 -0.157 0.000 0.829 1693 S HN 0.347 nan 8.310 nan 0.000 0.467 1694 K N 0.599 120.936 120.400 -0.105 0.000 2.001 1694 K HA -0.044 4.276 4.320 0.001 0.000 0.208 1694 K C 2.086 178.622 176.600 -0.107 0.000 1.048 1694 K CA 1.385 57.621 56.287 -0.086 0.000 0.932 1694 K CB -0.485 31.968 32.500 -0.078 0.000 0.715 1694 K HN 0.200 nan 8.250 nan 0.000 0.437 1695 V N 1.050 120.849 119.914 -0.192 0.000 2.332 1695 V HA -0.245 3.875 4.120 0.001 0.000 0.248 1695 V C 1.995 178.000 176.094 -0.148 0.000 1.055 1695 V CA 1.771 63.861 62.300 -0.350 0.000 1.038 1695 V CB -0.680 30.679 31.823 -0.774 0.000 0.651 1695 V HN 0.227 nan 8.190 nan 0.000 0.450 1696 F N -0.864 118.888 119.950 -0.329 0.000 2.451 1696 F HA -0.034 4.493 4.527 0.001 0.000 0.299 1696 F C 1.914 177.683 175.800 -0.051 0.000 1.101 1696 F CA 0.963 58.854 58.000 -0.183 0.000 1.436 1696 F CB 0.043 38.931 39.000 -0.187 0.000 1.074 1696 F HN 0.121 nan 8.300 nan 0.000 0.553 1697 L N -1.567 119.699 121.223 0.073 0.000 2.642 1697 L HA 0.095 4.435 4.340 0.001 0.000 0.233 1697 L C 0.470 177.297 176.870 -0.071 0.000 1.077 1697 L CA -0.084 54.760 54.840 0.008 0.000 0.879 1697 L CB 0.007 42.066 42.059 -0.001 0.000 1.151 1697 L HN -0.143 nan 8.230 nan 0.000 0.495 1698 N N 1.727 120.368 118.700 -0.098 0.000 2.482 1698 N HA 0.113 4.853 4.740 0.001 0.000 0.242 1698 N C -2.072 173.261 175.510 -0.295 0.000 1.100 1698 N CA -1.956 51.007 53.050 -0.146 0.000 0.946 1698 N CB 1.091 39.510 38.487 -0.113 0.000 1.227 1698 N HN -0.100 nan 8.380 nan 0.000 0.508 1699 P HA -0.003 nan 4.420 nan 0.000 0.251 1699 P C 0.089 177.126 177.300 -0.437 0.000 1.251 1699 P CA 0.931 63.645 63.100 -0.643 0.000 0.763 1699 P CB 0.244 31.746 31.700 -0.330 0.000 1.067 1700 Q N -2.048 117.607 119.800 -0.241 0.000 2.126 1700 Q HA 0.092 4.433 4.340 0.001 0.000 0.233 1700 Q C 0.125 176.132 176.000 0.012 0.000 0.788 1700 Q CA -0.033 55.727 55.803 -0.073 0.000 0.968 1700 Q CB 0.558 29.268 28.738 -0.045 0.000 1.163 1700 Q HN 0.175 nan 8.270 nan 0.000 0.471 1701 S N 1.309 116.999 115.700 -0.017 0.000 2.544 1701 S HA 0.247 4.717 4.470 0.001 0.000 0.290 1701 S C -0.082 174.650 174.600 0.219 0.000 1.276 1701 S CA -0.091 58.122 58.200 0.023 0.000 1.075 1701 S CB 0.627 63.728 63.200 -0.164 0.000 0.849 1701 S HN 0.158 nan 8.310 nan 0.000 0.494 1702 R N 1.645 122.344 120.500 0.333 0.000 2.740 1702 R HA 0.506 4.846 4.340 0.001 0.000 0.273 1702 R C -1.213 175.312 176.300 0.375 0.000 0.998 1702 R CA -1.002 55.367 56.100 0.447 0.000 0.900 1702 R CB 1.871 32.312 30.300 0.235 0.000 1.223 1702 R HN 0.524 nan 8.270 nan 0.000 0.466 1703 V N 2.132 122.098 119.914 0.087 0.000 2.637 1703 V HA 0.091 4.212 4.120 0.001 0.000 0.296 1703 V C 0.533 176.578 176.094 -0.081 0.000 1.046 1703 V CA 0.432 62.588 62.300 -0.239 0.000 1.066 1703 V CB 1.283 32.813 31.823 -0.487 0.000 0.968 1703 V HN 0.914 nan 8.190 nan 0.000 0.483 1704 T N 2.909 117.427 114.554 -0.059 0.000 2.895 1704 T HA 0.522 4.872 4.350 0.001 0.000 0.283 1704 T C -0.334 174.337 174.700 -0.048 0.000 1.014 1704 T CA -0.784 61.294 62.100 -0.036 0.000 1.037 1704 T CB 1.568 70.436 68.868 0.000 0.000 1.006 1704 T HN 0.549 nan 8.240 nan 0.000 0.468 1705 Q N 1.238 121.014 119.800 -0.041 0.000 2.349 1705 Q HA 0.219 4.559 4.340 0.001 0.000 0.287 1705 Q C -0.144 175.845 176.000 -0.019 0.000 1.044 1705 Q CA 0.816 56.599 55.803 -0.032 0.000 0.918 1705 Q CB 0.358 29.078 28.738 -0.029 0.000 1.242 1705 Q HN 0.751 nan 8.270 nan 0.000 0.405 1706 E N 0.458 120.650 120.200 -0.014 0.000 2.404 1706 E HA 0.233 4.583 4.350 0.001 0.000 0.264 1706 E C 0.171 176.769 176.600 -0.002 0.000 0.946 1706 E CA 0.078 56.475 56.400 -0.006 0.000 0.806 1706 E CB 1.482 31.181 29.700 -0.003 0.000 1.334 1706 E HN 0.747 nan 8.360 nan 0.000 0.429 1707 S N -0.285 115.416 115.700 0.002 0.000 2.595 1707 S HA -0.112 4.359 4.470 0.001 0.000 0.235 1707 S C 0.742 175.343 174.600 0.003 0.000 0.974 1707 S CA 1.101 59.303 58.200 0.003 0.000 0.942 1707 S CB -0.515 62.689 63.200 0.006 0.000 0.766 1707 S HN 0.469 nan 8.310 nan 0.000 0.536 1708 N N -0.285 118.417 118.700 0.003 0.000 2.239 1708 N HA 0.412 5.152 4.740 0.001 0.000 0.208 1708 N C 1.135 176.644 175.510 -0.000 0.000 1.200 1708 N CA 0.379 53.431 53.050 0.004 0.000 0.895 1708 N CB 0.158 38.650 38.487 0.008 0.000 1.085 1708 N HN 0.420 nan 8.380 nan 0.000 0.500 1709 G N -0.388 108.410 108.800 -0.003 0.000 2.229 1709 G HA2 -0.219 3.742 3.960 0.001 0.000 0.189 1709 G HA3 -0.219 3.742 3.960 0.001 0.000 0.189 1709 G C -0.530 174.367 174.900 -0.006 0.000 1.000 1709 G CA -0.403 44.691 45.100 -0.011 0.000 0.663 1709 G HN 0.292 nan 8.290 nan 0.000 0.493 1710 E N 0.234 120.438 120.200 0.007 0.000 2.343 1710 E HA 0.535 4.885 4.350 0.001 0.000 0.269 1710 E C 0.112 176.724 176.600 0.020 0.000 1.047 1710 E CA -0.450 55.966 56.400 0.027 0.000 0.874 1710 E CB 1.212 30.936 29.700 0.040 0.000 1.033 1710 E HN 0.262 nan 8.360 nan 0.000 0.409 1711 L N 3.637 124.893 121.223 0.054 0.000 2.257 1711 L HA 0.334 4.674 4.340 0.001 0.000 0.290 1711 L C 0.198 176.993 176.870 -0.126 0.000 1.044 1711 L CA -0.220 54.612 54.840 -0.014 0.000 0.810 1711 L CB 0.236 42.319 42.059 0.040 0.000 1.193 1711 L HN 0.273 nan 8.230 nan 0.000 0.425 1712 K N 2.801 123.107 120.400 -0.157 0.000 2.395 1712 K HA 0.544 4.865 4.320 0.001 0.000 0.247 1712 K C -0.909 175.554 176.600 -0.229 0.000 0.973 1712 K CA -0.982 55.182 56.287 -0.205 0.000 0.828 1712 K CB 2.259 34.727 32.500 -0.053 0.000 1.272 1712 K HN 0.046 nan 8.250 nan 0.000 0.439 1713 F N 1.810 121.758 119.950 -0.003 0.000 2.496 1713 F HA 0.185 4.712 4.527 0.001 0.000 0.344 1713 F C -1.661 174.154 175.800 0.024 0.000 1.155 1713 F CA -1.509 56.504 58.000 0.022 0.000 1.302 1713 F CB -0.208 38.821 39.000 0.048 0.000 1.159 1713 F HN 0.247 nan 8.300 nan 0.000 0.595 1714 P HA 0.380 nan 4.420 nan 0.000 0.286 1714 P C -0.936 176.435 177.300 0.118 0.000 1.261 1714 P CA -0.530 62.646 63.100 0.127 0.000 0.821 1714 P CB 1.014 32.769 31.700 0.093 0.000 1.013 1715 A N 0.000 122.870 122.820 0.084 0.000 2.254 1715 A HA 0.000 4.320 4.320 0.001 0.000 0.244 1715 A CA 0.000 52.075 52.037 0.064 0.000 0.836 1715 A CB 0.000 19.031 19.000 0.052 0.000 0.831 1715 A HN 0.000 nan 8.150 nan 0.000 0.486