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 1brw_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MRMVDLIAKK RDGKALTKEE IEWIVRGYTN GDIPDYQMSA LAMAIYFRGM DATA SEQUENCE TEEETAALTM AMVQSGEMLD LSSIRGVKVD KHSTGGVGDT TTLVLGPLVA DATA SEQUENCE SVGVPVAKMS GRGLGHTGGT IDKLESVPGF HVEISKDEFI RLVNENGIAI DATA SEQUENCE IGQTGDLTPA DKKLYALRDV TATVNSIPLI ASSIMSKKIA AGADAIVLDV DATA SEQUENCE KTGAGAFMKK LDEARRLARV MVDIGKRVGR RTMAVISDMS QPLGYAVGNA DATA SEQUENCE LEVKEAIETL KGNGPHDLTE LCLTLGSHMV YLAEKAPSLD EARRLLEEAI DATA SEQUENCE RSGAAIAAFK TFLAAQGGDA SVVDDLDKLP KAAYTSTVTA AADGYVAEMA DATA SEQUENCE ADDIGTAAMW LGAGRAKKED VIDLAVGIVL HKKIGDRVQK GEALATIHSN DATA SEQUENCE RPDVLDVKEK IEAAIRLSPQ PVARPPLIYE TIV 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.029 176.300 -0.452 0.000 1.140 1001 M CA 0.000 54.917 55.300 -0.638 0.000 0.988 1001 M CB 0.000 31.803 32.600 -1.328 0.000 1.302 1002 R N 1.032 121.351 120.500 -0.302 0.000 2.513 1002 R HA 0.488 4.828 4.340 -0.000 0.000 0.301 1002 R C 0.574 176.896 176.300 0.037 0.000 0.968 1002 R CA -0.826 55.250 56.100 -0.040 0.000 0.872 1002 R CB 1.806 32.098 30.300 -0.013 0.000 1.177 1002 R HN 0.681 nan 8.270 nan 0.000 0.444 1003 M N 2.147 121.894 119.600 0.246 0.000 2.144 1003 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 1003 M C 1.891 178.263 176.300 0.120 0.000 1.067 1003 M CA 1.817 57.270 55.300 0.254 0.000 1.095 1003 M CB -0.282 32.449 32.600 0.218 0.000 1.365 1003 M HN 0.535 nan 8.290 nan 0.000 0.406 1004 V N 0.566 120.533 119.914 0.089 0.000 2.490 1004 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 1004 V C 1.583 177.700 176.094 0.038 0.000 1.061 1004 V CA 2.052 64.389 62.300 0.063 0.000 1.064 1004 V CB -0.499 31.362 31.823 0.064 0.000 0.670 1004 V HN 0.365 nan 8.190 nan 0.000 0.461 1005 D N -0.293 120.118 120.400 0.018 0.000 2.219 1005 D HA -0.079 4.560 4.640 -0.000 0.000 0.205 1005 D C 2.012 178.309 176.300 -0.004 0.000 0.970 1005 D CA 1.224 55.220 54.000 -0.007 0.000 0.851 1005 D CB -0.043 40.733 40.800 -0.039 0.000 0.943 1005 D HN 0.439 nan 8.370 nan 0.000 0.488 1006 L N 0.088 121.318 121.223 0.012 0.000 2.162 1006 L HA 0.040 4.380 4.340 -0.000 0.000 0.205 1006 L C 2.439 179.330 176.870 0.035 0.000 1.086 1006 L CA 0.375 55.230 54.840 0.025 0.000 0.778 1006 L CB -0.163 41.933 42.059 0.062 0.000 0.928 1006 L HN -0.040 nan 8.230 nan 0.000 0.446 1007 I N 0.548 121.145 120.570 0.044 0.000 2.226 1007 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 1007 I C 2.844 178.980 176.117 0.032 0.000 1.100 1007 I CA 1.251 62.575 61.300 0.040 0.000 1.374 1007 I CB -0.478 37.549 38.000 0.045 0.000 1.057 1007 I HN 0.193 nan 8.210 nan 0.000 0.413 1008 A N 0.625 123.460 122.820 0.025 0.000 1.933 1008 A HA -0.218 4.101 4.320 -0.000 0.000 0.218 1008 A C 2.351 179.942 177.584 0.012 0.000 1.175 1008 A CA 1.558 53.605 52.037 0.017 0.000 0.628 1008 A CB -0.422 18.585 19.000 0.011 0.000 0.814 1008 A HN 0.310 nan 8.150 nan 0.000 0.444 1009 K N -0.585 119.821 120.400 0.010 0.000 2.002 1009 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 1009 K C 2.246 178.854 176.600 0.013 0.000 1.048 1009 K CA 1.717 58.008 56.287 0.006 0.000 0.930 1009 K CB -0.135 32.366 32.500 0.002 0.000 0.714 1009 K HN 0.306 nan 8.250 nan 0.000 0.438 1010 K N 1.587 121.999 120.400 0.020 0.000 2.097 1010 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 1010 K C 1.931 178.551 176.600 0.034 0.000 1.050 1010 K CA 1.345 57.648 56.287 0.027 0.000 0.938 1010 K CB -0.202 32.317 32.500 0.032 0.000 0.718 1010 K HN -0.002 nan 8.250 nan 0.000 0.442 1011 R N 0.338 120.858 120.500 0.033 0.000 2.091 1011 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 1011 R C 0.509 176.822 176.300 0.021 0.000 1.136 1011 R CA 2.005 58.125 56.100 0.032 0.000 0.959 1011 R CB -0.262 30.051 30.300 0.022 0.000 0.856 1011 R HN 0.212 nan 8.270 nan 0.000 0.437 1012 D N -1.047 119.361 120.400 0.013 0.000 2.336 1012 D HA 0.086 4.726 4.640 -0.000 0.000 0.229 1012 D C 0.832 177.138 176.300 0.009 0.000 1.061 1012 D CA 1.023 55.027 54.000 0.007 0.000 0.875 1012 D CB 0.521 41.322 40.800 0.002 0.000 0.904 1012 D HN 0.572 nan 8.370 nan 0.000 0.525 1013 G N 0.914 109.723 108.800 0.016 0.000 2.141 1013 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.242 1013 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.242 1013 G C 0.288 175.193 174.900 0.008 0.000 0.982 1013 G CA -0.125 44.983 45.100 0.014 0.000 0.662 1013 G HN 0.318 nan 8.290 nan 0.000 0.527 1014 K N 0.212 120.617 120.400 0.007 0.000 2.087 1014 K HA 0.737 5.057 4.320 -0.000 0.000 0.255 1014 K C 0.523 177.126 176.600 0.005 0.000 0.988 1014 K CA -0.030 56.259 56.287 0.004 0.000 0.915 1014 K CB 1.502 34.002 32.500 0.001 0.000 1.043 1014 K HN 0.470 nan 8.250 nan 0.000 0.457 1015 A N 2.474 125.295 122.820 0.002 0.000 2.309 1015 A HA 0.397 4.717 4.320 -0.000 0.000 0.298 1015 A C -0.333 177.254 177.584 0.004 0.000 1.165 1015 A CA -0.678 51.361 52.037 0.003 0.000 0.821 1015 A CB 0.126 19.126 19.000 0.001 0.000 1.102 1015 A HN 0.610 nan 8.150 nan 0.000 0.500 1016 L N 2.180 123.409 121.223 0.009 0.000 2.350 1016 L HA 0.367 4.707 4.340 -0.000 0.000 0.275 1016 L C 1.247 178.125 176.870 0.014 0.000 1.099 1016 L CA -0.569 54.279 54.840 0.014 0.000 0.808 1016 L CB 1.357 43.432 42.059 0.026 0.000 1.149 1016 L HN 0.925 nan 8.230 nan 0.000 0.442 1017 T N -1.464 113.097 114.554 0.011 0.000 2.828 1017 T HA 0.093 4.443 4.350 -0.000 0.000 0.290 1017 T C 1.012 175.727 174.700 0.025 0.000 1.019 1017 T CA -0.608 61.499 62.100 0.012 0.000 1.031 1017 T CB 1.246 70.116 68.868 0.003 0.000 1.001 1017 T HN 0.718 nan 8.240 nan 0.000 0.531 1018 K N 0.236 120.651 120.400 0.024 0.000 2.074 1018 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 1018 K C 2.078 178.707 176.600 0.049 0.000 1.048 1018 K CA 1.962 58.268 56.287 0.032 0.000 0.926 1018 K CB -0.237 32.277 32.500 0.024 0.000 0.713 1018 K HN 0.729 nan 8.250 nan 0.000 0.444 1019 E N 1.119 121.345 120.200 0.045 0.000 2.072 1019 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 1019 E C 1.529 178.192 176.600 0.105 0.000 0.985 1019 E CA 1.738 58.176 56.400 0.063 0.000 0.801 1019 E CB 0.015 29.734 29.700 0.031 0.000 0.750 1019 E HN 0.434 nan 8.360 nan 0.000 0.452 1020 E N -0.149 120.095 120.200 0.075 0.000 2.072 1020 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 1020 E C 2.259 178.971 176.600 0.187 0.000 0.985 1020 E CA 1.208 57.672 56.400 0.108 0.000 0.801 1020 E CB -0.163 29.560 29.700 0.038 0.000 0.750 1020 E HN 0.339 nan 8.360 nan 0.000 0.452 1021 I N 1.313 121.954 120.570 0.119 0.000 2.226 1021 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 1021 I C 2.175 178.359 176.117 0.112 0.000 1.100 1021 I CA 1.294 62.655 61.300 0.101 0.000 1.374 1021 I CB -0.269 37.767 38.000 0.059 0.000 1.057 1021 I HN 0.127 nan 8.210 nan 0.000 0.413 1022 E N -0.248 120.023 120.200 0.118 0.000 2.107 1022 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 1022 E C 1.905 178.581 176.600 0.127 0.000 0.982 1022 E CA 1.200 57.660 56.400 0.101 0.000 0.809 1022 E CB -0.192 29.560 29.700 0.087 0.000 0.756 1022 E HN 0.547 nan 8.360 nan 0.000 0.459 1023 W N 1.671 122.978 121.300 0.012 0.000 2.358 1023 W HA -0.163 4.497 4.660 0.000 0.000 0.303 1023 W C 1.763 178.295 176.519 0.021 0.000 1.208 1023 W CA 1.384 58.737 57.345 0.014 0.000 1.274 1023 W CB -0.161 29.304 29.460 0.009 0.000 1.138 1023 W HN -0.071 nan 8.180 nan 0.000 0.515 1024 I N -0.290 120.380 120.570 0.168 0.000 2.142 1024 I HA -0.336 3.834 4.170 -0.000 0.000 0.240 1024 I C 2.195 178.266 176.117 -0.077 0.000 1.078 1024 I CA 1.565 62.863 61.300 -0.002 0.000 1.343 1024 I CB -1.057 37.018 38.000 0.125 0.000 1.046 1024 I HN -0.203 nan 8.210 nan 0.000 0.405 1025 V N 0.684 120.596 119.914 -0.003 0.000 2.407 1025 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 1025 V C 2.579 178.659 176.094 -0.023 0.000 1.055 1025 V CA 1.910 64.227 62.300 0.028 0.000 1.049 1025 V CB -0.837 31.007 31.823 0.035 0.000 0.662 1025 V HN 0.387 nan 8.190 nan 0.000 0.455 1026 R N 0.286 120.727 120.500 -0.098 0.000 2.070 1026 R HA -0.116 4.224 4.340 -0.000 0.000 0.233 1026 R C 2.428 178.597 176.300 -0.218 0.000 1.137 1026 R CA 1.812 57.825 56.100 -0.144 0.000 0.945 1026 R CB -0.861 29.346 30.300 -0.155 0.000 0.845 1026 R HN 0.519 nan 8.270 nan 0.000 0.430 1027 G N -0.604 107.964 108.800 -0.388 0.000 2.422 1027 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.218 1027 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.218 1027 G C 1.247 176.027 174.900 -0.199 0.000 1.146 1027 G CA 0.813 45.671 45.100 -0.404 0.000 0.769 1027 G HN 0.442 nan 8.290 nan 0.000 0.547 1028 Y N 2.095 122.245 120.300 -0.249 0.000 2.181 1028 Y HA -0.110 4.440 4.550 -0.000 0.000 0.288 1028 Y C 2.982 178.809 175.900 -0.122 0.000 1.146 1028 Y CA 1.972 59.974 58.100 -0.164 0.000 1.164 1028 Y CB -0.540 37.846 38.460 -0.124 0.000 0.982 1028 Y HN 0.186 nan 8.280 nan 0.000 0.515 1029 T N 1.017 115.435 114.554 -0.226 0.000 2.821 1029 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 1029 T C 1.324 175.887 174.700 -0.228 0.000 1.046 1029 T CA 1.503 63.442 62.100 -0.269 0.000 1.139 1029 T CB -0.475 68.314 68.868 -0.132 0.000 0.871 1029 T HN 0.615 nan 8.240 nan 0.000 0.454 1030 N N 0.839 119.431 118.700 -0.180 0.000 2.461 1030 N HA 0.203 4.943 4.740 -0.000 0.000 0.188 1030 N C 1.292 176.716 175.510 -0.144 0.000 1.134 1030 N CA 0.836 53.800 53.050 -0.143 0.000 0.878 1030 N CB -0.380 38.036 38.487 -0.117 0.000 0.972 1030 N HN 0.439 nan 8.380 nan 0.000 0.456 1031 G N -0.327 108.363 108.800 -0.183 0.000 2.157 1031 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.239 1031 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.239 1031 G C 0.254 175.091 174.900 -0.105 0.000 0.982 1031 G CA 0.320 45.329 45.100 -0.151 0.000 0.650 1031 G HN 0.440 nan 8.290 nan 0.000 0.527 1032 D N -0.199 120.134 120.400 -0.113 0.000 2.323 1032 D HA 0.240 4.880 4.640 -0.000 0.000 0.209 1032 D C 1.110 177.356 176.300 -0.089 0.000 0.973 1032 D CA 0.575 54.519 54.000 -0.093 0.000 0.874 1032 D CB 0.325 41.059 40.800 -0.109 0.000 0.930 1032 D HN 0.528 nan 8.370 nan 0.000 0.521 1033 I N 2.217 122.733 120.570 -0.089 0.000 2.355 1033 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 1033 I C -2.208 173.893 176.117 -0.026 0.000 0.999 1033 I CA -2.372 58.888 61.300 -0.067 0.000 1.163 1033 I CB 1.810 39.770 38.000 -0.068 0.000 1.316 1033 I HN -0.226 nan 8.210 nan 0.000 0.454 1034 P HA 0.067 nan 4.420 nan 0.000 0.271 1034 P C -0.093 177.076 177.300 -0.218 0.000 1.218 1034 P CA -0.134 62.821 63.100 -0.242 0.000 0.780 1034 P CB 1.217 32.584 31.700 -0.555 0.000 0.901 1035 D N 1.346 121.734 120.400 -0.021 0.000 2.190 1035 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 1035 D C 1.761 178.060 176.300 -0.002 0.000 0.992 1035 D CA 1.775 55.817 54.000 0.070 0.000 0.854 1035 D CB -0.307 40.578 40.800 0.142 0.000 0.936 1035 D HN 0.597 nan 8.370 nan 0.000 0.462 1036 Y N 0.598 120.923 120.300 0.041 0.000 2.293 1036 Y HA -0.019 4.531 4.550 -0.000 0.000 0.291 1036 Y C 2.177 178.080 175.900 0.006 0.000 1.137 1036 Y CA 0.688 58.799 58.100 0.019 0.000 1.202 1036 Y CB -0.836 37.637 38.460 0.022 0.000 0.990 1036 Y HN -0.089 nan 8.280 nan 0.000 0.537 1037 Q N -0.435 119.233 119.800 -0.220 0.000 2.096 1037 Q HA -0.089 4.250 4.340 -0.000 0.000 0.197 1037 Q C 2.216 178.158 176.000 -0.098 0.000 0.964 1037 Q CA 1.452 57.194 55.803 -0.101 0.000 0.838 1037 Q CB -0.138 28.495 28.738 -0.174 0.000 0.906 1037 Q HN 0.519 nan 8.270 nan 0.000 0.444 1038 M N 0.678 120.165 119.600 -0.189 0.000 2.175 1038 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 1038 M C 2.119 178.308 176.300 -0.186 0.000 1.063 1038 M CA 1.725 56.850 55.300 -0.291 0.000 1.119 1038 M CB -0.127 32.067 32.600 -0.677 0.000 1.377 1038 M HN 0.163 nan 8.290 nan 0.000 0.415 1039 S N -0.480 115.158 115.700 -0.102 0.000 2.428 1039 S HA 0.059 4.529 4.470 -0.000 0.000 0.230 1039 S C 2.079 176.675 174.600 -0.006 0.000 1.014 1039 S CA 0.780 58.952 58.200 -0.045 0.000 0.957 1039 S CB -0.913 62.287 63.200 0.001 0.000 0.784 1039 S HN 0.493 nan 8.310 nan 0.000 0.499 1040 A N 1.837 124.667 122.820 0.017 0.000 1.897 1040 A HA 0.176 4.496 4.320 -0.000 0.000 0.215 1040 A C 2.187 179.792 177.584 0.035 0.000 1.181 1040 A CA 1.328 53.391 52.037 0.044 0.000 0.620 1040 A CB -0.833 18.207 19.000 0.067 0.000 0.821 1040 A HN 0.504 nan 8.150 nan 0.000 0.443 1041 L N -0.033 121.193 121.223 0.004 0.000 2.017 1041 L HA -0.050 4.289 4.340 -0.000 0.000 0.208 1041 L C 2.648 179.523 176.870 0.009 0.000 1.073 1041 L CA 2.286 57.128 54.840 0.004 0.000 0.745 1041 L CB -0.794 41.247 42.059 -0.029 0.000 0.894 1041 L HN 0.325 nan 8.230 nan 0.000 0.432 1042 A N -0.958 121.848 122.820 -0.024 0.000 1.978 1042 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 1042 A C 2.290 179.896 177.584 0.037 0.000 1.170 1042 A CA 2.269 54.295 52.037 -0.018 0.000 0.636 1042 A CB -0.694 18.269 19.000 -0.062 0.000 0.810 1042 A HN 0.578 nan 8.150 nan 0.000 0.448 1043 M N -0.444 119.196 119.600 0.067 0.000 2.288 1043 M HA 0.208 4.688 4.480 -0.000 0.000 0.266 1043 M C 2.053 178.529 176.300 0.294 0.000 1.072 1043 M CA 1.340 56.731 55.300 0.152 0.000 1.132 1043 M CB -0.463 32.221 32.600 0.140 0.000 1.386 1043 M HN 0.331 nan 8.290 nan 0.000 0.432 1044 A N 0.015 122.955 122.820 0.200 0.000 1.930 1044 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 1044 A C 2.132 179.821 177.584 0.174 0.000 1.175 1044 A CA 1.536 53.694 52.037 0.203 0.000 0.627 1044 A CB -0.994 18.071 19.000 0.109 0.000 0.815 1044 A HN 0.558 nan 8.150 nan 0.000 0.443 1045 I N -1.858 118.777 120.570 0.108 0.000 2.394 1045 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 1045 I C 2.405 178.537 176.117 0.025 0.000 1.136 1045 I CA 1.475 62.805 61.300 0.050 0.000 1.425 1045 I CB -0.356 37.655 38.000 0.019 0.000 1.079 1045 I HN 0.558 nan 8.210 nan 0.000 0.425 1046 Y N 1.197 121.455 120.300 -0.070 0.000 2.181 1046 Y HA -0.287 4.263 4.550 -0.000 0.000 0.288 1046 Y C 2.075 177.806 175.900 -0.282 0.000 1.146 1046 Y CA 1.780 59.748 58.100 -0.220 0.000 1.164 1046 Y CB -0.314 37.938 38.460 -0.347 0.000 0.982 1046 Y HN -0.016 nan 8.280 nan 0.000 0.515 1047 F N -0.466 119.496 119.950 0.021 0.000 2.270 1047 F HA 0.010 4.537 4.527 -0.000 0.000 0.295 1047 F C 2.202 177.954 175.800 -0.080 0.000 1.087 1047 F CA 0.854 58.828 58.000 -0.043 0.000 1.365 1047 F CB -0.153 38.898 39.000 0.086 0.000 1.056 1047 F HN -0.128 nan 8.300 nan 0.000 0.506 1048 R N 0.120 120.693 120.500 0.120 0.000 2.156 1048 R HA 0.321 4.661 4.340 -0.000 0.000 0.207 1048 R C 1.184 177.478 176.300 -0.009 0.000 1.040 1048 R CA 0.793 56.925 56.100 0.053 0.000 1.013 1048 R CB -0.844 29.494 30.300 0.064 0.000 0.931 1048 R HN 0.339 nan 8.270 nan 0.000 0.465 1049 G N 1.059 109.836 108.800 -0.038 0.000 2.725 1049 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 1049 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 1049 G C -0.427 174.455 174.900 -0.030 0.000 1.357 1049 G CA -0.138 44.927 45.100 -0.059 0.000 0.866 1049 G HN 0.124 nan 8.290 nan 0.000 0.548 1050 M N 0.148 119.729 119.600 -0.032 0.000 2.575 1050 M HA 0.507 4.987 4.480 -0.000 0.000 0.284 1050 M C 0.633 176.922 176.300 -0.019 0.000 1.253 1050 M CA -0.301 54.987 55.300 -0.019 0.000 0.861 1050 M CB 2.627 35.217 32.600 -0.016 0.000 1.733 1050 M HN 1.137 nan 8.290 nan 0.000 0.462 1051 T N -2.554 111.993 114.554 -0.012 0.000 2.816 1051 T HA 0.246 4.596 4.350 -0.000 0.000 0.282 1051 T C 0.776 175.469 174.700 -0.010 0.000 0.993 1051 T CA -0.429 61.664 62.100 -0.011 0.000 0.994 1051 T CB 1.311 70.175 68.868 -0.007 0.000 1.025 1051 T HN 0.779 nan 8.240 nan 0.000 0.529 1052 E N 0.280 120.474 120.200 -0.010 0.000 2.097 1052 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 1052 E C 2.028 178.625 176.600 -0.005 0.000 1.000 1052 E CA 2.015 58.410 56.400 -0.008 0.000 0.804 1052 E CB -0.266 29.429 29.700 -0.007 0.000 0.740 1052 E HN 0.880 nan 8.360 nan 0.000 0.454 1053 E N -0.009 120.189 120.200 -0.003 0.000 2.051 1053 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 1053 E C 1.955 178.556 176.600 0.002 0.000 0.991 1053 E CA 1.432 57.832 56.400 -0.000 0.000 0.799 1053 E CB -0.075 29.626 29.700 0.001 0.000 0.748 1053 E HN 0.378 nan 8.360 nan 0.000 0.449 1054 E N -0.423 119.778 120.200 0.001 0.000 2.051 1054 E HA -0.150 4.199 4.350 -0.000 0.000 0.192 1054 E C 2.138 178.739 176.600 0.002 0.000 0.991 1054 E CA 1.724 58.127 56.400 0.004 0.000 0.799 1054 E CB -0.044 29.657 29.700 0.002 0.000 0.748 1054 E HN 0.288 nan 8.360 nan 0.000 0.449 1055 T N 0.922 115.474 114.554 -0.003 0.000 2.759 1055 T HA -0.173 4.176 4.350 -0.000 0.000 0.269 1055 T C 1.973 176.672 174.700 -0.002 0.000 1.042 1055 T CA 1.232 63.328 62.100 -0.006 0.000 1.140 1055 T CB -0.205 68.656 68.868 -0.011 0.000 0.864 1055 T HN 0.240 nan 8.240 nan 0.000 0.455 1056 A N 1.409 124.228 122.820 -0.001 0.000 1.898 1056 A HA 0.261 4.581 4.320 -0.000 0.000 0.216 1056 A C 2.668 180.255 177.584 0.005 0.000 1.181 1056 A CA 1.622 53.660 52.037 0.001 0.000 0.620 1056 A CB -1.077 17.924 19.000 0.001 0.000 0.819 1056 A HN 0.499 nan 8.150 nan 0.000 0.442 1057 A N -0.534 122.291 122.820 0.009 0.000 1.933 1057 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 1057 A C 2.119 179.713 177.584 0.017 0.000 1.175 1057 A CA 1.738 53.784 52.037 0.015 0.000 0.628 1057 A CB -0.574 18.437 19.000 0.018 0.000 0.814 1057 A HN 0.591 nan 8.150 nan 0.000 0.444 1058 L N -0.217 121.014 121.223 0.014 0.000 1.994 1058 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 1058 L C 2.530 179.408 176.870 0.012 0.000 1.071 1058 L CA 2.806 57.655 54.840 0.015 0.000 0.745 1058 L CB -1.165 40.899 42.059 0.008 0.000 0.892 1058 L HN 0.389 nan 8.230 nan 0.000 0.431 1059 T N -0.195 114.363 114.554 0.007 0.000 2.635 1059 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 1059 T C 1.911 176.614 174.700 0.006 0.000 1.040 1059 T CA 2.045 64.147 62.100 0.003 0.000 1.156 1059 T CB -0.244 68.623 68.868 -0.002 0.000 0.863 1059 T HN 0.210 nan 8.240 nan 0.000 0.430 1060 M N 1.016 120.620 119.600 0.008 0.000 2.175 1060 M HA 0.117 4.597 4.480 -0.000 0.000 0.264 1060 M C 2.804 179.111 176.300 0.012 0.000 1.063 1060 M CA 1.101 56.406 55.300 0.009 0.000 1.119 1060 M CB -1.689 30.917 32.600 0.010 0.000 1.377 1060 M HN 0.323 nan 8.290 nan 0.000 0.415 1061 A N 0.245 123.075 122.820 0.017 0.000 1.883 1061 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 1061 A C 2.272 179.865 177.584 0.016 0.000 1.186 1061 A CA 1.768 53.817 52.037 0.020 0.000 0.624 1061 A CB -0.614 18.403 19.000 0.028 0.000 0.822 1061 A HN 0.493 nan 8.150 nan 0.000 0.444 1062 M N -0.807 118.804 119.600 0.017 0.000 2.229 1062 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 1062 M C 1.993 178.296 176.300 0.005 0.000 1.063 1062 M CA 0.993 56.303 55.300 0.016 0.000 1.114 1062 M CB -0.282 32.331 32.600 0.022 0.000 1.387 1062 M HN 0.255 nan 8.290 nan 0.000 0.420 1063 V N 0.180 120.096 119.914 0.004 0.000 2.379 1063 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 1063 V C 1.952 178.046 176.094 -0.001 0.000 1.044 1063 V CA 1.671 63.971 62.300 -0.000 0.000 1.036 1063 V CB -0.684 31.140 31.823 0.002 0.000 0.664 1063 V HN 0.507 nan 8.190 nan 0.000 0.453 1064 Q N 0.441 120.242 119.800 0.003 0.000 2.500 1064 Q HA -0.108 4.232 4.340 -0.000 0.000 0.213 1064 Q C 2.242 178.239 176.000 -0.004 0.000 0.974 1064 Q CA 1.261 57.065 55.803 0.002 0.000 0.918 1064 Q CB -0.191 28.551 28.738 0.007 0.000 0.980 1064 Q HN 0.817 nan 8.270 nan 0.000 0.505 1065 S N -1.012 114.684 115.700 -0.007 0.000 2.436 1065 S HA 0.040 4.510 4.470 -0.000 0.000 0.228 1065 S C 1.127 175.715 174.600 -0.021 0.000 1.014 1065 S CA 0.422 58.612 58.200 -0.016 0.000 0.950 1065 S CB 0.176 63.366 63.200 -0.016 0.000 0.784 1065 S HN 0.350 nan 8.310 nan 0.000 0.504 1066 G N 0.307 109.096 108.800 -0.017 0.000 3.175 1066 G HA2 0.667 4.627 3.960 -0.000 0.000 0.153 1066 G HA3 0.667 4.627 3.960 -0.000 0.000 0.153 1066 G C -1.248 173.645 174.900 -0.011 0.000 1.216 1066 G CA -0.786 44.303 45.100 -0.019 0.000 0.943 1066 G HN 0.387 nan 8.290 nan 0.000 0.611 1067 E N -0.405 119.789 120.200 -0.009 0.000 2.293 1067 E HA 0.361 4.711 4.350 -0.000 0.000 0.270 1067 E C -1.012 175.591 176.600 0.005 0.000 0.879 1067 E CA -0.602 55.798 56.400 -0.001 0.000 0.756 1067 E CB 2.802 32.503 29.700 0.001 0.000 1.208 1067 E HN 0.325 nan 8.360 nan 0.000 0.428 1068 M N 3.772 123.379 119.600 0.011 0.000 2.180 1068 M HA 0.282 4.762 4.480 -0.000 0.000 0.358 1068 M C -1.019 175.299 176.300 0.030 0.000 1.233 1068 M CA -0.384 54.928 55.300 0.019 0.000 1.114 1068 M CB 0.443 33.053 32.600 0.017 0.000 1.594 1068 M HN 0.428 nan 8.290 nan 0.000 0.467 1069 L N 3.709 124.961 121.223 0.048 0.000 2.417 1069 L HA 0.227 4.567 4.340 -0.000 0.000 0.268 1069 L C 0.139 177.043 176.870 0.056 0.000 1.158 1069 L CA -0.107 54.774 54.840 0.068 0.000 0.819 1069 L CB 0.576 42.710 42.059 0.126 0.000 1.112 1069 L HN 0.631 nan 8.230 nan 0.000 0.458 1070 D N 3.488 123.916 120.400 0.047 0.000 2.441 1070 D HA 0.226 4.866 4.640 -0.000 0.000 0.231 1070 D C 0.143 176.459 176.300 0.027 0.000 1.073 1070 D CA -0.344 53.675 54.000 0.031 0.000 0.850 1070 D CB 1.321 42.134 40.800 0.021 0.000 1.062 1070 D HN 0.405 nan 8.370 nan 0.000 0.524 1071 L N 2.713 123.950 121.223 0.022 0.000 2.737 1071 L HA 0.086 4.426 4.340 -0.000 0.000 0.236 1071 L C 1.974 178.840 176.870 -0.006 0.000 1.219 1071 L CA -0.212 54.630 54.840 0.003 0.000 1.021 1071 L CB -0.042 42.016 42.059 -0.002 0.000 1.291 1071 L HN 0.194 nan 8.230 nan 0.000 0.470 1072 S N 0.080 115.779 115.700 -0.001 0.000 2.359 1072 S HA -0.236 4.234 4.470 -0.000 0.000 0.224 1072 S C 2.222 176.817 174.600 -0.009 0.000 1.035 1072 S CA 1.814 60.012 58.200 -0.004 0.000 1.018 1072 S CB -0.111 63.088 63.200 -0.001 0.000 0.876 1072 S HN 0.606 nan 8.310 nan 0.000 0.448 1073 S N 1.182 116.877 115.700 -0.009 0.000 2.381 1073 S HA -0.173 4.297 4.470 -0.000 0.000 0.230 1073 S C 0.648 175.237 174.600 -0.019 0.000 1.052 1073 S CA 0.974 59.166 58.200 -0.013 0.000 1.068 1073 S CB -0.748 62.444 63.200 -0.013 0.000 0.918 1073 S HN 0.433 nan 8.310 nan 0.000 0.448 1074 I N 2.642 123.196 120.570 -0.027 0.000 2.533 1074 I HA 0.123 4.292 4.170 -0.000 0.000 0.284 1074 I C 0.771 176.873 176.117 -0.025 0.000 1.109 1074 I CA -0.098 61.182 61.300 -0.034 0.000 1.412 1074 I CB 0.412 38.381 38.000 -0.052 0.000 1.396 1074 I HN 0.203 nan 8.210 nan 0.000 0.543 1075 R N 4.659 125.146 120.500 -0.022 0.000 2.441 1075 R HA 0.616 4.956 4.340 -0.000 0.000 0.284 1075 R C 0.496 176.786 176.300 -0.017 0.000 1.070 1075 R CA 0.047 56.137 56.100 -0.017 0.000 1.047 1075 R CB 1.037 31.329 30.300 -0.014 0.000 1.016 1075 R HN 0.955 nan 8.270 nan 0.000 0.477 1076 G N 0.374 109.165 108.800 -0.014 0.000 2.631 1076 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.504 1076 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.504 1076 G C -1.034 173.857 174.900 -0.015 0.000 1.306 1076 G CA -0.923 44.168 45.100 -0.014 0.000 0.897 1076 G HN 0.426 nan 8.290 nan 0.000 0.520 1077 V N 1.608 121.514 119.914 -0.014 0.000 2.353 1077 V HA 0.340 4.459 4.120 -0.000 0.000 0.264 1077 V C 0.788 176.876 176.094 -0.011 0.000 1.049 1077 V CA -0.095 62.197 62.300 -0.013 0.000 0.896 1077 V CB 0.833 32.646 31.823 -0.017 0.000 1.025 1077 V HN 0.591 nan 8.190 nan 0.000 0.475 1078 K N 3.919 124.313 120.400 -0.010 0.000 2.276 1078 K HA 0.558 4.878 4.320 -0.000 0.000 0.283 1078 K C -0.627 175.975 176.600 0.005 0.000 1.044 1078 K CA -0.373 55.908 56.287 -0.010 0.000 0.944 1078 K CB 1.613 34.104 32.500 -0.016 0.000 1.012 1078 K HN 0.449 nan 8.250 nan 0.000 0.472 1079 V N 2.246 122.165 119.914 0.008 0.000 2.667 1079 V HA 0.289 4.409 4.120 -0.000 0.000 0.308 1079 V C -0.265 175.850 176.094 0.036 0.000 1.048 1079 V CA -0.747 61.566 62.300 0.022 0.000 0.928 1079 V CB 1.868 33.704 31.823 0.022 0.000 1.004 1079 V HN 0.759 nan 8.190 nan 0.000 0.444 1080 D N 2.164 122.593 120.400 0.049 0.000 2.490 1080 D HA 0.554 5.194 4.640 -0.000 0.000 0.232 1080 D C -1.105 175.234 176.300 0.066 0.000 1.053 1080 D CA -0.512 53.529 54.000 0.069 0.000 0.914 1080 D CB 2.405 43.258 40.800 0.088 0.000 1.431 1080 D HN 0.399 nan 8.370 nan 0.000 0.483 1081 K N 1.134 121.581 120.400 0.077 0.000 2.527 1081 K HA 0.364 4.684 4.320 -0.000 0.000 0.260 1081 K C -1.902 174.764 176.600 0.111 0.000 0.937 1081 K CA -0.479 55.850 56.287 0.071 0.000 0.826 1081 K CB 1.557 34.074 32.500 0.029 0.000 1.359 1081 K HN 0.633 nan 8.250 nan 0.000 0.434 1082 H N -0.110 118.973 119.070 0.021 0.000 3.085 1082 H HA 0.262 4.818 4.556 -0.000 0.000 0.356 1082 H C -1.577 173.765 175.328 0.024 0.000 1.178 1082 H CA -0.230 55.834 56.048 0.026 0.000 1.214 1082 H CB 2.243 32.024 29.762 0.032 0.000 1.881 1082 H HN 0.611 nan 8.280 nan 0.000 0.538 1083 S N 0.444 116.231 115.700 0.145 0.000 2.608 1083 S HA 0.219 4.689 4.470 -0.000 0.000 0.291 1083 S C 0.997 175.743 174.600 0.242 0.000 1.146 1083 S CA 0.123 58.402 58.200 0.131 0.000 1.043 1083 S CB 0.850 64.059 63.200 0.015 0.000 1.037 1083 S HN 0.720 nan 8.310 nan 0.000 0.520 1084 T N 0.324 114.960 114.554 0.135 0.000 3.169 1084 T HA 0.476 4.826 4.350 -0.000 0.000 0.250 1084 T C 0.884 175.640 174.700 0.093 0.000 1.111 1084 T CA 0.297 62.484 62.100 0.145 0.000 1.010 1084 T CB -0.917 68.016 68.868 0.109 0.000 0.984 1084 T HN 1.576 nan 8.240 nan 0.000 0.537 1085 G N -1.044 107.763 108.800 0.011 0.000 3.039 1085 G HA2 0.430 4.390 3.960 -0.000 0.000 0.686 1085 G HA3 0.430 4.390 3.960 -0.000 0.000 0.686 1085 G C -0.235 174.496 174.900 -0.282 0.000 1.066 1085 G CA -0.598 44.413 45.100 -0.148 0.000 0.774 1085 G HN 1.190 nan 8.290 nan 0.000 0.591 1086 G N -1.135 107.534 108.800 -0.218 0.000 2.682 1086 G HA2 0.823 4.783 3.960 -0.000 0.000 0.303 1086 G HA3 0.823 4.783 3.960 -0.000 0.000 0.303 1086 G C -1.100 173.740 174.900 -0.100 0.000 1.341 1086 G CA 0.164 45.165 45.100 -0.165 0.000 0.784 1086 G HN 1.608 nan 8.290 nan 0.000 0.497 1087 V N 0.956 120.838 119.914 -0.053 0.000 2.347 1087 V HA 0.604 4.724 4.120 -0.000 0.000 0.280 1087 V C 1.177 177.241 176.094 -0.051 0.000 1.021 1087 V CA 0.794 63.075 62.300 -0.032 0.000 0.847 1087 V CB 0.421 32.233 31.823 -0.020 0.000 0.990 1087 V HN 2.246 nan 8.190 nan 0.000 0.444 1088 G N 4.064 112.835 108.800 -0.048 0.000 2.160 1088 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 1088 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 1088 G C -0.052 174.808 174.900 -0.066 0.000 1.022 1088 G CA 0.200 45.266 45.100 -0.056 0.000 0.741 1088 G HN 0.842 nan 8.290 nan 0.000 0.508 1089 D N 0.539 120.902 120.400 -0.061 0.000 2.551 1089 D HA 0.457 5.097 4.640 -0.000 0.000 0.223 1089 D C 1.826 178.090 176.300 -0.060 0.000 1.144 1089 D CA 0.647 54.609 54.000 -0.063 0.000 1.025 1089 D CB -0.021 40.742 40.800 -0.061 0.000 1.085 1089 D HN 0.162 nan 8.370 nan 0.000 0.506 1090 T N 0.157 114.671 114.554 -0.066 0.000 3.118 1090 T HA -0.100 4.250 4.350 -0.000 0.000 0.260 1090 T C 1.915 176.572 174.700 -0.071 0.000 1.139 1090 T CA 0.439 62.502 62.100 -0.062 0.000 1.085 1090 T CB -0.102 68.726 68.868 -0.067 0.000 0.934 1090 T HN 0.333 nan 8.240 nan 0.000 0.518 1091 T N 2.694 117.205 114.554 -0.073 0.000 2.442 1091 T HA -0.289 4.060 4.350 -0.000 0.000 0.237 1091 T C 2.157 176.811 174.700 -0.077 0.000 1.361 1091 T CA 2.451 64.508 62.100 -0.072 0.000 1.127 1091 T CB -1.330 67.503 68.868 -0.058 0.000 0.845 1091 T HN 0.404 nan 8.240 nan 0.000 0.433 1092 T N 2.239 116.751 114.554 -0.070 0.000 2.760 1092 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 1092 T C 1.961 176.620 174.700 -0.069 0.000 1.047 1092 T CA 1.219 63.277 62.100 -0.070 0.000 1.139 1092 T CB -0.572 68.254 68.868 -0.069 0.000 0.855 1092 T HN 0.286 nan 8.240 nan 0.000 0.471 1093 L N 0.213 121.402 121.223 -0.056 0.000 2.083 1093 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 1093 L C 2.515 179.254 176.870 -0.218 0.000 1.083 1093 L CA 0.876 55.691 54.840 -0.040 0.000 0.752 1093 L CB -0.545 41.507 42.059 -0.010 0.000 0.899 1093 L HN 0.190 nan 8.230 nan 0.000 0.433 1094 V N -0.250 119.532 119.914 -0.219 0.000 2.326 1094 V HA -0.209 3.911 4.120 -0.000 0.000 0.238 1094 V C 2.203 178.187 176.094 -0.182 0.000 1.038 1094 V CA 1.283 63.427 62.300 -0.261 0.000 1.032 1094 V CB -0.334 31.379 31.823 -0.184 0.000 0.675 1094 V HN 0.341 nan 8.190 nan 0.000 0.467 1095 L N 0.782 121.930 121.223 -0.125 0.000 2.129 1095 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 1095 L C 2.172 178.984 176.870 -0.096 0.000 1.087 1095 L CA 2.110 56.896 54.840 -0.090 0.000 0.757 1095 L CB -0.790 41.231 42.059 -0.063 0.000 0.896 1095 L HN 0.381 nan 8.230 nan 0.000 0.434 1096 G N 0.185 108.909 108.800 -0.128 0.000 2.484 1096 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 1096 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 1096 G C -0.758 174.037 174.900 -0.174 0.000 1.219 1096 G CA 0.882 45.879 45.100 -0.172 0.000 0.791 1096 G HN 0.390 nan 8.290 nan 0.000 0.550 1097 P HA 0.019 nan 4.420 nan 0.000 0.221 1097 P C 1.917 179.198 177.300 -0.031 0.000 1.150 1097 P CA 0.210 63.279 63.100 -0.051 0.000 0.800 1097 P CB 0.029 31.793 31.700 0.106 0.000 0.787 1098 L N 0.760 121.945 121.223 -0.064 0.000 1.943 1098 L HA -0.152 4.188 4.340 -0.000 0.000 0.215 1098 L C 2.219 179.072 176.870 -0.029 0.000 1.074 1098 L CA 2.058 56.869 54.840 -0.047 0.000 0.759 1098 L CB -1.526 40.495 42.059 -0.063 0.000 0.888 1098 L HN -0.072 nan 8.230 nan 0.000 0.433 1099 V N -1.904 117.990 119.914 -0.033 0.000 2.490 1099 V HA -0.138 3.981 4.120 -0.000 0.000 0.250 1099 V C 2.443 178.528 176.094 -0.015 0.000 1.061 1099 V CA 1.545 63.834 62.300 -0.019 0.000 1.064 1099 V CB -2.003 29.812 31.823 -0.014 0.000 0.670 1099 V HN 0.502 nan 8.190 nan 0.000 0.461 1100 A N 1.441 124.245 122.820 -0.026 0.000 2.067 1100 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 1100 A C 2.513 180.097 177.584 0.001 0.000 1.158 1100 A CA 1.946 53.971 52.037 -0.019 0.000 0.661 1100 A CB -0.816 18.162 19.000 -0.037 0.000 0.801 1100 A HN 0.963 nan 8.150 nan 0.000 0.452 1101 S N -0.091 115.613 115.700 0.007 0.000 2.453 1101 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 1101 S C 1.373 175.981 174.600 0.013 0.000 1.005 1101 S CA 1.065 59.277 58.200 0.019 0.000 0.949 1101 S CB -0.833 62.382 63.200 0.025 0.000 0.774 1101 S HN 1.036 nan 8.310 nan 0.000 0.510 1102 V N -1.919 117.998 119.914 0.006 0.000 3.499 1102 V HA 0.720 4.840 4.120 -0.000 0.000 0.308 1102 V C 1.316 177.414 176.094 0.007 0.000 1.319 1102 V CA 0.128 62.432 62.300 0.007 0.000 1.194 1102 V CB -0.931 30.895 31.823 0.005 0.000 1.072 1102 V HN 0.738 nan 8.190 nan 0.000 0.426 1103 G N -0.207 108.597 108.800 0.005 0.000 2.176 1103 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.232 1103 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.232 1103 G C 0.041 174.941 174.900 -0.001 0.000 0.986 1103 G CA -0.092 45.010 45.100 0.003 0.000 0.643 1103 G HN 0.847 nan 8.290 nan 0.000 0.522 1104 V N 2.319 122.233 119.914 -0.001 0.000 2.455 1104 V HA 0.406 4.526 4.120 -0.000 0.000 0.273 1104 V C -1.691 174.395 176.094 -0.014 0.000 1.045 1104 V CA -1.278 61.020 62.300 -0.003 0.000 0.976 1104 V CB 1.269 33.093 31.823 0.003 0.000 0.993 1104 V HN 0.123 nan 8.190 nan 0.000 0.475 1105 P HA 0.208 nan 4.420 nan 0.000 0.276 1105 P C -0.726 176.552 177.300 -0.036 0.000 1.253 1105 P CA -0.007 63.072 63.100 -0.035 0.000 0.766 1105 P CB 0.696 32.373 31.700 -0.039 0.000 0.845 1106 V N 3.640 123.525 119.914 -0.048 0.000 2.347 1106 V HA 0.617 4.737 4.120 -0.000 0.000 0.280 1106 V C 0.321 176.390 176.094 -0.042 0.000 1.021 1106 V CA -0.622 61.657 62.300 -0.035 0.000 0.847 1106 V CB 1.200 32.994 31.823 -0.048 0.000 0.990 1106 V HN 0.580 nan 8.190 nan 0.000 0.444 1107 A N 5.367 128.192 122.820 0.008 0.000 2.536 1107 A HA 0.703 5.023 4.320 -0.000 0.000 0.329 1107 A C -0.337 177.430 177.584 0.305 0.000 1.321 1107 A CA -0.579 51.500 52.037 0.070 0.000 0.804 1107 A CB 0.487 19.477 19.000 -0.017 0.000 1.126 1107 A HN 0.760 nan 8.150 nan 0.000 0.480 1108 K N 2.721 123.353 120.400 0.388 0.000 2.371 1108 K HA 0.761 5.080 4.320 -0.000 0.000 0.251 1108 K C -1.058 175.662 176.600 0.200 0.000 0.934 1108 K CA -0.624 55.816 56.287 0.256 0.000 0.798 1108 K CB 1.408 33.989 32.500 0.135 0.000 1.204 1108 K HN 0.661 nan 8.250 nan 0.000 0.427 1109 M N 2.180 121.843 119.600 0.105 0.000 2.364 1109 M HA 0.347 4.827 4.480 -0.000 0.000 0.334 1109 M C -0.781 175.558 176.300 0.064 0.000 1.107 1109 M CA -0.622 54.686 55.300 0.013 0.000 0.988 1109 M CB 2.180 34.752 32.600 -0.047 0.000 1.673 1109 M HN 0.642 nan 8.290 nan 0.000 0.441 1110 S N 0.288 116.000 115.700 0.020 0.000 2.745 1110 S HA 0.928 5.398 4.470 -0.000 0.000 0.306 1110 S C -0.308 174.265 174.600 -0.046 0.000 1.137 1110 S CA -0.760 57.438 58.200 -0.004 0.000 0.900 1110 S CB 2.238 65.422 63.200 -0.027 0.000 1.176 1110 S HN 0.865 nan 8.310 nan 0.000 0.520 1111 G N -0.050 108.713 108.800 -0.063 0.000 2.818 1111 G HA2 0.669 4.629 3.960 -0.000 0.000 0.286 1111 G HA3 0.669 4.629 3.960 -0.000 0.000 0.286 1111 G C -1.006 173.897 174.900 0.006 0.000 1.364 1111 G CA -0.773 44.205 45.100 -0.204 0.000 0.938 1111 G HN 0.552 nan 8.290 nan 0.000 0.490 1112 R N -1.092 119.468 120.500 0.100 0.000 2.523 1112 R HA 0.539 4.879 4.340 -0.000 0.000 0.229 1112 R C 1.022 177.493 176.300 0.285 0.000 1.265 1112 R CA -0.095 56.118 56.100 0.188 0.000 1.081 1112 R CB 0.118 30.517 30.300 0.166 0.000 1.540 1112 R HN 0.616 nan 8.270 nan 0.000 0.560 1113 G N 0.288 109.194 108.800 0.177 0.000 2.484 1113 G HA2 0.261 4.221 3.960 -0.000 0.000 0.235 1113 G HA3 0.261 4.221 3.960 -0.000 0.000 0.235 1113 G C -1.033 173.928 174.900 0.101 0.000 1.282 1113 G CA -0.089 45.084 45.100 0.123 0.000 0.857 1113 G HN 0.235 nan 8.290 nan 0.000 0.571 1114 L N 2.394 123.637 121.223 0.034 0.000 2.529 1114 L HA 0.582 4.922 4.340 -0.000 0.000 0.260 1114 L C 0.728 177.606 176.870 0.013 0.000 0.997 1114 L CA 1.151 55.952 54.840 -0.065 0.000 0.885 1114 L CB 0.782 42.756 42.059 -0.142 0.000 1.185 1114 L HN 1.542 nan 8.230 nan 0.000 0.442 1115 G N 3.542 112.342 108.800 0.000 0.000 2.550 1115 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.277 1115 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.277 1115 G C 0.795 175.726 174.900 0.052 0.000 1.190 1115 G CA 0.566 45.694 45.100 0.046 0.000 0.971 1115 G HN 1.254 nan 8.290 nan 0.000 0.559 1116 H N 1.352 120.477 119.070 0.092 0.000 2.556 1116 H HA 0.203 4.759 4.556 -0.000 0.000 0.268 1116 H C 1.107 176.411 175.328 -0.041 0.000 0.996 1116 H CA 1.706 57.754 56.048 -0.000 0.000 1.157 1116 H CB -0.693 29.048 29.762 -0.034 0.000 1.355 1116 H HN 0.833 nan 8.280 nan 0.000 0.597 1117 T N -1.413 112.986 114.554 -0.257 0.000 2.895 1117 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 1117 T C 0.785 175.450 174.700 -0.057 0.000 1.014 1117 T CA -0.362 61.614 62.100 -0.207 0.000 1.037 1117 T CB 2.228 70.852 68.868 -0.406 0.000 1.006 1117 T HN 0.323 nan 8.240 nan 0.000 0.468 1118 G N 0.039 108.819 108.800 -0.034 0.000 2.599 1118 G HA2 0.557 4.517 3.960 -0.000 0.000 0.264 1118 G HA3 0.557 4.517 3.960 -0.000 0.000 0.264 1118 G C 0.039 174.957 174.900 0.030 0.000 1.200 1118 G CA -0.636 44.466 45.100 0.003 0.000 0.896 1118 G HN 1.143 nan 8.290 nan 0.000 0.536 1119 G N -1.335 107.493 108.800 0.047 0.000 2.707 1119 G HA2 0.429 4.389 3.960 -0.000 0.000 0.299 1119 G HA3 0.429 4.389 3.960 -0.000 0.000 0.299 1119 G C 0.582 175.501 174.900 0.032 0.000 1.442 1119 G CA -0.011 45.132 45.100 0.071 0.000 1.009 1119 G HN 0.474 nan 8.290 nan 0.000 0.515 1120 T N 2.833 117.393 114.554 0.009 0.000 2.778 1120 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 1120 T C 2.467 177.168 174.700 0.002 0.000 1.050 1120 T CA 0.912 63.008 62.100 -0.006 0.000 1.137 1120 T CB -0.111 68.742 68.868 -0.025 0.000 0.860 1120 T HN 0.392 nan 8.240 nan 0.000 0.468 1121 I N 1.596 122.177 120.570 0.019 0.000 2.286 1121 I HA -0.105 4.065 4.170 -0.000 0.000 0.248 1121 I C 2.129 178.258 176.117 0.020 0.000 1.115 1121 I CA 1.280 62.599 61.300 0.032 0.000 1.392 1121 I CB -1.049 36.971 38.000 0.033 0.000 1.065 1121 I HN 0.190 nan 8.210 nan 0.000 0.418 1122 D N 0.991 121.406 120.400 0.024 0.000 2.123 1122 D HA -0.121 4.518 4.640 -0.000 0.000 0.200 1122 D C 2.191 178.485 176.300 -0.009 0.000 0.976 1122 D CA 0.976 54.987 54.000 0.019 0.000 0.831 1122 D CB 0.009 40.831 40.800 0.036 0.000 0.974 1122 D HN 0.341 nan 8.370 nan 0.000 0.469 1123 K N 0.368 120.758 120.400 -0.018 0.000 2.057 1123 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 1123 K C 2.268 178.814 176.600 -0.089 0.000 1.049 1123 K CA 0.610 56.876 56.287 -0.035 0.000 0.931 1123 K CB -0.115 32.371 32.500 -0.023 0.000 0.714 1123 K HN 0.160 nan 8.250 nan 0.000 0.440 1124 L N 1.098 122.230 121.223 -0.152 0.000 2.217 1124 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 1124 L C 1.889 178.557 176.870 -0.336 0.000 1.107 1124 L CA 0.976 55.579 54.840 -0.395 0.000 0.783 1124 L CB -0.195 41.510 42.059 -0.591 0.000 0.919 1124 L HN 0.211 nan 8.230 nan 0.000 0.442 1125 E N -0.871 119.259 120.200 -0.117 0.000 2.482 1125 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 1125 E C 2.135 178.716 176.600 -0.031 0.000 1.047 1125 E CA 0.639 57.023 56.400 -0.026 0.000 0.869 1125 E CB 0.138 29.845 29.700 0.012 0.000 0.836 1125 E HN 0.289 nan 8.360 nan 0.000 0.520 1126 S N 0.327 115.994 115.700 -0.055 0.000 2.423 1126 S HA -0.059 4.411 4.470 -0.000 0.000 0.231 1126 S C 0.987 175.565 174.600 -0.037 0.000 1.014 1126 S CA 0.185 58.364 58.200 -0.034 0.000 0.965 1126 S CB 0.155 63.337 63.200 -0.031 0.000 0.785 1126 S HN -0.050 nan 8.310 nan 0.000 0.495 1127 V N 3.971 123.843 119.914 -0.069 0.000 2.470 1127 V HA 0.273 4.393 4.120 -0.000 0.000 0.276 1127 V C -2.293 173.803 176.094 0.004 0.000 1.040 1127 V CA -1.710 60.558 62.300 -0.053 0.000 1.008 1127 V CB 0.523 32.275 31.823 -0.118 0.000 0.990 1127 V HN 0.296 nan 8.190 nan 0.000 0.477 1128 P HA 0.135 nan 4.420 nan 0.000 0.258 1128 P C 1.006 178.316 177.300 0.016 0.000 1.187 1128 P CA 1.544 64.646 63.100 0.004 0.000 0.767 1128 P CB 0.249 31.947 31.700 -0.003 0.000 0.770 1129 G N 3.242 112.043 108.800 0.002 0.000 2.225 1129 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 1129 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 1129 G C 0.144 175.043 174.900 -0.002 0.000 0.988 1129 G CA -0.527 44.564 45.100 -0.015 0.000 0.625 1129 G HN 0.525 nan 8.290 nan 0.000 0.527 1130 F N 3.463 123.352 119.950 -0.103 0.000 2.557 1130 F HA 0.502 5.029 4.527 -0.000 0.000 0.384 1130 F C 0.947 176.693 175.800 -0.089 0.000 1.057 1130 F CA -0.350 57.599 58.000 -0.086 0.000 1.169 1130 F CB 0.170 39.095 39.000 -0.125 0.000 1.070 1130 F HN 0.268 nan 8.300 nan 0.000 0.554 1131 H N 3.974 122.839 119.070 -0.343 0.000 2.580 1131 H HA 0.344 4.900 4.556 -0.000 0.000 0.322 1131 H C 0.722 175.956 175.328 -0.157 0.000 1.082 1131 H CA 0.071 56.011 56.048 -0.180 0.000 1.383 1131 H CB 1.341 30.986 29.762 -0.195 0.000 1.450 1131 H HN 0.476 nan 8.280 nan 0.000 0.505 1132 V N -0.307 119.701 119.914 0.157 0.000 3.380 1132 V HA 0.317 4.437 4.120 -0.000 0.000 0.307 1132 V C 0.094 176.249 176.094 0.100 0.000 1.434 1132 V CA -0.019 62.403 62.300 0.203 0.000 1.075 1132 V CB -0.197 31.768 31.823 0.236 0.000 0.954 1132 V HN 0.685 nan 8.190 nan 0.000 0.444 1133 E N 2.451 122.700 120.200 0.081 0.000 2.914 1133 E HA 0.499 4.849 4.350 -0.000 0.000 0.246 1133 E C -0.691 175.928 176.600 0.032 0.000 1.146 1133 E CA -0.281 56.142 56.400 0.038 0.000 0.803 1133 E CB 1.839 31.560 29.700 0.035 0.000 1.409 1133 E HN 0.755 nan 8.360 nan 0.000 0.392 1134 I N -1.168 119.407 120.570 0.008 0.000 2.607 1134 I HA 0.543 4.713 4.170 -0.000 0.000 0.305 1134 I C 0.576 176.695 176.117 0.003 0.000 0.995 1134 I CA -0.888 60.413 61.300 0.001 0.000 1.148 1134 I CB 1.688 39.697 38.000 0.014 0.000 1.323 1134 I HN 0.159 nan 8.210 nan 0.000 0.461 1135 S N 3.698 119.402 115.700 0.006 0.000 2.569 1135 S HA 0.140 4.609 4.470 -0.000 0.000 0.274 1135 S C 0.765 175.396 174.600 0.051 0.000 1.353 1135 S CA -0.409 57.799 58.200 0.013 0.000 1.023 1135 S CB 0.899 64.104 63.200 0.008 0.000 0.876 1135 S HN 0.816 nan 8.310 nan 0.000 0.540 1136 K N 0.815 121.241 120.400 0.044 0.000 2.103 1136 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 1136 K C 1.322 178.006 176.600 0.140 0.000 1.048 1136 K CA 1.723 58.069 56.287 0.097 0.000 0.930 1136 K CB -0.304 32.231 32.500 0.058 0.000 0.716 1136 K HN 0.613 nan 8.250 nan 0.000 0.444 1137 D N 0.994 121.441 120.400 0.079 0.000 2.178 1137 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 1137 D C 1.565 177.901 176.300 0.059 0.000 0.974 1137 D CA 1.130 55.165 54.000 0.058 0.000 0.841 1137 D CB 0.004 40.821 40.800 0.029 0.000 0.953 1137 D HN 0.366 nan 8.370 nan 0.000 0.478 1138 E N -0.492 119.749 120.200 0.070 0.000 2.285 1138 E HA -0.075 4.274 4.350 -0.000 0.000 0.194 1138 E C 1.667 178.334 176.600 0.113 0.000 0.997 1138 E CA -0.003 56.432 56.400 0.057 0.000 0.845 1138 E CB -0.030 29.688 29.700 0.030 0.000 0.782 1138 E HN 0.174 nan 8.360 nan 0.000 0.491 1139 F N 1.594 121.540 119.950 -0.006 0.000 2.113 1139 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 1139 F C 1.892 177.699 175.800 0.011 0.000 1.103 1139 F CA 1.144 59.149 58.000 0.008 0.000 1.248 1139 F CB -0.111 38.898 39.000 0.014 0.000 0.999 1139 F HN -0.115 nan 8.300 nan 0.000 0.475 1140 I N 0.107 120.677 120.570 -0.001 0.000 2.286 1140 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 1140 I C 2.351 178.407 176.117 -0.101 0.000 1.115 1140 I CA 1.250 62.488 61.300 -0.103 0.000 1.392 1140 I CB -0.470 37.528 38.000 -0.003 0.000 1.065 1140 I HN 0.075 nan 8.210 nan 0.000 0.418 1141 R N 0.064 120.536 120.500 -0.047 0.000 2.189 1141 R HA -0.103 4.237 4.340 -0.000 0.000 0.218 1141 R C 2.123 178.391 176.300 -0.053 0.000 1.074 1141 R CA 0.851 56.927 56.100 -0.040 0.000 0.991 1141 R CB -0.198 30.091 30.300 -0.018 0.000 0.883 1141 R HN 0.249 nan 8.270 nan 0.000 0.457 1142 L N 0.207 121.388 121.223 -0.070 0.000 2.162 1142 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 1142 L C 1.847 178.660 176.870 -0.095 0.000 1.086 1142 L CA 1.288 56.093 54.840 -0.059 0.000 0.778 1142 L CB 0.095 42.144 42.059 -0.017 0.000 0.928 1142 L HN -0.154 nan 8.230 nan 0.000 0.446 1143 V N 0.126 119.921 119.914 -0.198 0.000 2.626 1143 V HA -0.172 3.948 4.120 -0.000 0.000 0.252 1143 V C 2.290 178.314 176.094 -0.116 0.000 1.067 1143 V CA 1.500 63.680 62.300 -0.201 0.000 1.081 1143 V CB -0.927 30.695 31.823 -0.335 0.000 0.686 1143 V HN 0.477 nan 8.190 nan 0.000 0.468 1144 N N 0.449 119.090 118.700 -0.097 0.000 2.124 1144 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 1144 N C 1.858 177.344 175.510 -0.039 0.000 1.045 1144 N CA 1.184 54.197 53.050 -0.061 0.000 0.846 1144 N CB -0.158 38.297 38.487 -0.053 0.000 1.020 1144 N HN 0.310 nan 8.380 nan 0.000 0.432 1145 E N 0.293 120.473 120.200 -0.034 0.000 2.265 1145 E HA -0.062 4.288 4.350 -0.000 0.000 0.196 1145 E C 0.706 177.301 176.600 -0.009 0.000 0.996 1145 E CA 0.797 57.185 56.400 -0.019 0.000 0.832 1145 E CB -0.055 29.635 29.700 -0.017 0.000 0.756 1145 E HN 0.490 nan 8.360 nan 0.000 0.491 1146 N N -1.408 117.287 118.700 -0.009 0.000 2.360 1146 N HA 0.038 4.778 4.740 -0.000 0.000 0.211 1146 N C 0.833 176.346 175.510 0.006 0.000 1.147 1146 N CA 0.692 53.750 53.050 0.013 0.000 0.866 1146 N CB 1.829 40.341 38.487 0.041 0.000 1.206 1146 N HN 0.162 nan 8.380 nan 0.000 0.478 1147 G N 2.353 111.140 108.800 -0.021 0.000 2.149 1147 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.235 1147 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.235 1147 G C -0.147 174.731 174.900 -0.035 0.000 1.018 1147 G CA 0.516 45.597 45.100 -0.031 0.000 0.728 1147 G HN 0.409 nan 8.290 nan 0.000 0.508 1148 I N -1.405 119.146 120.570 -0.033 0.000 2.746 1148 I HA 0.601 4.771 4.170 -0.000 0.000 0.290 1148 I C -1.316 174.820 176.117 0.033 0.000 1.600 1148 I CA -0.277 61.004 61.300 -0.031 0.000 1.019 1148 I CB 1.722 39.688 38.000 -0.057 0.000 1.426 1148 I HN 1.225 nan 8.210 nan 0.000 0.460 1149 A N 7.779 130.638 122.820 0.065 0.000 2.530 1149 A HA 0.716 5.036 4.320 -0.000 0.000 0.297 1149 A C -1.797 176.029 177.584 0.404 0.000 1.059 1149 A CA -0.324 51.873 52.037 0.266 0.000 0.782 1149 A CB 1.075 20.148 19.000 0.121 0.000 1.301 1149 A HN 0.542 nan 8.150 nan 0.000 0.394 1150 I N 4.436 125.306 120.570 0.499 0.000 2.448 1150 I HA 0.492 4.662 4.170 -0.000 0.000 0.281 1150 I C -0.185 176.180 176.117 0.413 0.000 1.027 1150 I CA -0.406 61.139 61.300 0.409 0.000 1.111 1150 I CB 1.190 39.412 38.000 0.371 0.000 1.236 1150 I HN 0.762 nan 8.210 nan 0.000 0.452 1151 I N 1.869 122.575 120.570 0.227 0.000 3.445 1151 I HA 0.987 5.157 4.170 -0.000 0.000 0.303 1151 I C 0.120 176.251 176.117 0.024 0.000 1.129 1151 I CA -0.901 60.465 61.300 0.111 0.000 0.989 1151 I CB 1.960 39.929 38.000 -0.051 0.000 1.314 1151 I HN 0.410 nan 8.210 nan 0.000 0.488 1152 G N 1.063 109.859 108.800 -0.006 0.000 2.471 1152 G HA2 0.506 4.466 3.960 -0.000 0.000 0.332 1152 G HA3 0.506 4.466 3.960 -0.000 0.000 0.332 1152 G C -0.754 174.092 174.900 -0.091 0.000 1.176 1152 G CA -0.622 44.455 45.100 -0.039 0.000 0.949 1152 G HN 0.823 nan 8.290 nan 0.000 0.488 1153 Q N -1.264 118.473 119.800 -0.106 0.000 2.370 1153 Q HA 0.302 4.642 4.340 -0.000 0.000 0.186 1153 Q C 0.644 176.595 176.000 -0.082 0.000 1.093 1153 Q CA 0.989 56.726 55.803 -0.110 0.000 1.142 1153 Q CB -0.354 28.312 28.738 -0.120 0.000 1.175 1153 Q HN 1.554 nan 8.270 nan 0.000 0.625 1154 T N -6.631 107.880 114.554 -0.071 0.000 5.975 1154 T HA -0.139 4.211 4.350 -0.000 0.000 0.273 1154 T C 0.450 175.120 174.700 -0.050 0.000 2.189 1154 T CA 1.107 63.175 62.100 -0.053 0.000 3.660 1154 T CB -2.319 66.524 68.868 -0.042 0.000 1.044 1154 T HN 1.141 nan 8.240 nan 0.000 1.166 1155 G N 0.705 109.468 108.800 -0.062 0.000 4.403 1155 G HA2 0.529 4.489 3.960 -0.000 0.000 0.297 1155 G HA3 0.529 4.489 3.960 -0.000 0.000 0.297 1155 G C 0.323 175.190 174.900 -0.055 0.000 1.325 1155 G CA 0.212 45.278 45.100 -0.056 0.000 1.378 1155 G HN 0.428 nan 8.290 nan 0.000 0.595 1156 D N -0.915 119.458 120.400 -0.045 0.000 2.705 1156 D HA -0.178 4.462 4.640 -0.000 0.000 0.187 1156 D C 0.595 176.871 176.300 -0.041 0.000 1.015 1156 D CA 1.042 55.020 54.000 -0.037 0.000 1.030 1156 D CB -1.186 39.597 40.800 -0.027 0.000 1.100 1156 D HN 0.451 nan 8.370 nan 0.000 0.439 1157 L N 1.357 122.546 121.223 -0.057 0.000 2.272 1157 L HA 0.390 4.730 4.340 -0.000 0.000 0.289 1157 L C 0.438 177.275 176.870 -0.055 0.000 1.032 1157 L CA 0.003 54.807 54.840 -0.060 0.000 0.810 1157 L CB 1.376 43.378 42.059 -0.095 0.000 1.205 1157 L HN 0.215 nan 8.230 nan 0.000 0.422 1158 T N 0.559 115.090 114.554 -0.039 0.000 3.506 1158 T HA -0.140 4.210 4.350 -0.000 0.000 0.407 1158 T C -1.942 172.739 174.700 -0.031 0.000 0.766 1158 T CA -0.088 61.993 62.100 -0.031 0.000 2.070 1158 T CB -1.422 67.428 68.868 -0.031 0.000 1.712 1158 T HN 0.471 nan 8.240 nan 0.000 0.692 1159 P HA 0.004 nan 4.420 nan 0.000 0.217 1159 P C 1.908 179.188 177.300 -0.035 0.000 1.150 1159 P CA 1.489 64.563 63.100 -0.044 0.000 0.832 1159 P CB -0.267 31.400 31.700 -0.056 0.000 0.787 1160 A N -0.205 122.608 122.820 -0.011 0.000 1.898 1160 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 1160 A C 2.177 179.817 177.584 0.093 0.000 1.181 1160 A CA 2.207 54.269 52.037 0.041 0.000 0.620 1160 A CB -1.587 17.448 19.000 0.058 0.000 0.819 1160 A HN 0.169 nan 8.150 nan 0.000 0.442 1161 D N -0.715 119.721 120.400 0.059 0.000 2.144 1161 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 1161 D C 1.933 178.291 176.300 0.097 0.000 0.978 1161 D CA 1.523 55.572 54.000 0.082 0.000 0.833 1161 D CB -0.112 40.708 40.800 0.034 0.000 0.961 1161 D HN 0.450 nan 8.370 nan 0.000 0.470 1162 K N 0.213 120.632 120.400 0.031 0.000 2.044 1162 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 1162 K C 1.942 178.596 176.600 0.090 0.000 1.049 1162 K CA 1.386 57.685 56.287 0.019 0.000 0.927 1162 K CB 0.066 32.553 32.500 -0.020 0.000 0.713 1162 K HN 0.087 nan 8.250 nan 0.000 0.443 1163 K N 0.281 120.729 120.400 0.079 0.000 1.984 1163 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 1163 K C 2.137 178.901 176.600 0.272 0.000 1.046 1163 K CA 1.085 57.438 56.287 0.111 0.000 0.934 1163 K CB -0.319 32.128 32.500 -0.088 0.000 0.717 1163 K HN 0.068 nan 8.250 nan 0.000 0.438 1164 L N 0.792 122.224 121.223 0.349 0.000 2.127 1164 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 1164 L C 2.163 179.132 176.870 0.165 0.000 1.089 1164 L CA 1.592 56.575 54.840 0.240 0.000 0.757 1164 L CB -0.614 41.539 42.059 0.155 0.000 0.899 1164 L HN 0.170 nan 8.230 nan 0.000 0.434 1165 Y N -0.160 120.176 120.300 0.060 0.000 2.145 1165 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 1165 Y C 2.422 178.346 175.900 0.040 0.000 1.145 1165 Y CA 1.989 60.111 58.100 0.037 0.000 1.148 1165 Y CB -0.434 38.051 38.460 0.040 0.000 0.981 1165 Y HN 0.227 nan 8.280 nan 0.000 0.507 1166 A N -0.266 122.717 122.820 0.273 0.000 1.933 1166 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 1166 A C 2.136 179.768 177.584 0.081 0.000 1.175 1166 A CA 1.764 53.904 52.037 0.171 0.000 0.628 1166 A CB -1.115 17.978 19.000 0.156 0.000 0.814 1166 A HN 0.545 nan 8.150 nan 0.000 0.444 1167 L N -0.354 120.921 121.223 0.088 0.000 2.044 1167 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 1167 L C 2.443 179.305 176.870 -0.013 0.000 1.075 1167 L CA 1.827 56.700 54.840 0.054 0.000 0.747 1167 L CB -0.560 41.550 42.059 0.085 0.000 0.903 1167 L HN 0.330 nan 8.230 nan 0.000 0.435 1168 R N -0.356 120.111 120.500 -0.056 0.000 2.091 1168 R HA -0.212 4.128 4.340 -0.000 0.000 0.238 1168 R C 2.045 178.261 176.300 -0.141 0.000 1.136 1168 R CA 1.541 57.568 56.100 -0.122 0.000 0.959 1168 R CB -0.709 29.483 30.300 -0.180 0.000 0.856 1168 R HN 0.475 nan 8.270 nan 0.000 0.437 1169 D N 0.398 120.705 120.400 -0.155 0.000 2.149 1169 D HA -0.147 4.493 4.640 -0.000 0.000 0.194 1169 D C 1.295 177.566 176.300 -0.048 0.000 1.001 1169 D CA 1.616 55.542 54.000 -0.123 0.000 0.849 1169 D CB 0.156 40.900 40.800 -0.094 0.000 0.939 1169 D HN 0.193 nan 8.370 nan 0.000 0.449 1170 V N -1.892 118.008 119.914 -0.022 0.000 3.177 1170 V HA 0.402 4.522 4.120 -0.000 0.000 0.342 1170 V C 0.899 176.992 176.094 -0.002 0.000 1.379 1170 V CA 0.706 63.008 62.300 0.004 0.000 1.191 1170 V CB -0.271 31.567 31.823 0.025 0.000 1.167 1170 V HN 0.313 nan 8.190 nan 0.000 0.471 1171 T N -3.787 110.750 114.554 -0.028 0.000 3.209 1171 T HA 0.592 4.942 4.350 -0.000 0.000 0.295 1171 T C 1.011 175.673 174.700 -0.064 0.000 0.977 1171 T CA 0.628 62.709 62.100 -0.031 0.000 0.922 1171 T CB 0.462 69.315 68.868 -0.026 0.000 1.152 1171 T HN 1.796 nan 8.240 nan 0.000 0.527 1172 A N 1.250 124.022 122.820 -0.081 0.000 2.822 1172 A HA -0.144 4.176 4.320 -0.000 0.000 0.287 1172 A C 1.049 178.504 177.584 -0.216 0.000 1.479 1172 A CA 1.225 53.186 52.037 -0.127 0.000 0.779 1172 A CB -2.701 16.236 19.000 -0.104 0.000 1.022 1172 A HN 1.443 nan 8.150 nan 0.000 0.532 1173 T N -3.169 111.266 114.554 -0.199 0.000 3.308 1173 T HA 0.454 4.804 4.350 -0.000 0.000 0.270 1173 T C 1.149 175.706 174.700 -0.239 0.000 0.992 1173 T CA 0.500 62.475 62.100 -0.208 0.000 0.931 1173 T CB -0.167 68.624 68.868 -0.127 0.000 1.142 1173 T HN 1.486 nan 8.240 nan 0.000 0.525 1174 V N -0.787 118.917 119.914 -0.351 0.000 2.725 1174 V HA 0.121 4.241 4.120 -0.000 0.000 0.247 1174 V C 1.332 176.945 176.094 -0.802 0.000 1.058 1174 V CA 0.716 62.677 62.300 -0.566 0.000 1.080 1174 V CB -0.905 30.504 31.823 -0.690 0.000 0.713 1174 V HN 0.626 nan 8.190 nan 0.000 0.465 1175 N N 1.518 119.828 118.700 -0.649 0.000 3.091 1175 N HA 0.150 4.890 4.740 -0.000 0.000 0.301 1175 N C -0.169 175.293 175.510 -0.080 0.000 1.325 1175 N CA 0.533 53.324 53.050 -0.432 0.000 1.143 1175 N CB 0.383 38.784 38.487 -0.142 0.000 1.450 1175 N HN 0.466 nan 8.380 nan 0.000 0.542 1176 S N 0.178 115.808 115.700 -0.117 0.000 2.519 1176 S HA 0.425 4.895 4.470 -0.000 0.000 0.309 1176 S C 1.205 175.752 174.600 -0.088 0.000 1.100 1176 S CA -0.852 57.300 58.200 -0.081 0.000 1.059 1176 S CB 0.570 63.746 63.200 -0.040 0.000 1.008 1176 S HN 0.262 nan 8.310 nan 0.000 0.478 1177 I N 5.582 126.102 120.570 -0.083 0.000 2.145 1177 I HA -0.108 4.062 4.170 -0.000 0.000 0.244 1177 I C -0.544 175.547 176.117 -0.043 0.000 1.075 1177 I CA 1.282 62.551 61.300 -0.051 0.000 1.332 1177 I CB -0.895 37.074 38.000 -0.052 0.000 1.033 1177 I HN 0.581 nan 8.210 nan 0.000 0.410 1178 P HA -0.117 nan 4.420 nan 0.000 0.221 1178 P C 1.859 179.139 177.300 -0.032 0.000 1.150 1178 P CA 1.464 64.542 63.100 -0.036 0.000 0.800 1178 P CB 0.013 31.691 31.700 -0.036 0.000 0.787 1179 L N -1.310 119.887 121.223 -0.044 0.000 2.209 1179 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 1179 L C 2.709 179.558 176.870 -0.036 0.000 1.094 1179 L CA 0.819 55.633 54.840 -0.043 0.000 0.790 1179 L CB -0.594 41.425 42.059 -0.066 0.000 0.932 1179 L HN -0.152 nan 8.230 nan 0.000 0.447 1180 I N 0.118 120.662 120.570 -0.043 0.000 2.193 1180 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 1180 I C 2.862 178.978 176.117 -0.002 0.000 1.084 1180 I CA 1.107 62.401 61.300 -0.011 0.000 1.365 1180 I CB -0.448 37.559 38.000 0.012 0.000 1.064 1180 I HN 0.163 nan 8.210 nan 0.000 0.410 1181 A N 1.164 123.978 122.820 -0.010 0.000 1.865 1181 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 1181 A C 2.520 180.092 177.584 -0.021 0.000 1.191 1181 A CA 2.707 54.735 52.037 -0.015 0.000 0.623 1181 A CB -1.096 17.895 19.000 -0.014 0.000 0.826 1181 A HN 0.536 nan 8.150 nan 0.000 0.444 1182 S N -0.723 114.969 115.700 -0.015 0.000 2.399 1182 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 1182 S C 2.131 176.725 174.600 -0.009 0.000 1.022 1182 S CA 1.699 59.892 58.200 -0.010 0.000 0.983 1182 S CB -0.777 62.421 63.200 -0.004 0.000 0.803 1182 S HN 0.607 nan 8.310 nan 0.000 0.480 1183 S N 1.750 117.451 115.700 0.002 0.000 2.338 1183 S HA 0.008 4.478 4.470 -0.000 0.000 0.218 1183 S C 1.844 176.417 174.600 -0.046 0.000 1.032 1183 S CA 1.248 59.464 58.200 0.026 0.000 0.999 1183 S CB -0.679 62.582 63.200 0.101 0.000 0.905 1183 S HN 0.594 nan 8.310 nan 0.000 0.439 1184 I N 1.436 121.942 120.570 -0.106 0.000 2.142 1184 I HA -0.190 3.980 4.170 -0.000 0.000 0.240 1184 I C 2.558 178.564 176.117 -0.186 0.000 1.078 1184 I CA 1.195 62.324 61.300 -0.286 0.000 1.343 1184 I CB -0.371 37.450 38.000 -0.298 0.000 1.046 1184 I HN 0.353 nan 8.210 nan 0.000 0.405 1185 M N 0.659 120.201 119.600 -0.096 0.000 2.159 1185 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 1185 M C 2.687 178.964 176.300 -0.038 0.000 1.063 1185 M CA 1.965 57.233 55.300 -0.054 0.000 1.110 1185 M CB -1.576 31.005 32.600 -0.030 0.000 1.374 1185 M HN 0.403 nan 8.290 nan 0.000 0.411 1186 S N 0.028 115.707 115.700 -0.035 0.000 2.399 1186 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 1186 S C 1.925 176.510 174.600 -0.025 0.000 1.022 1186 S CA 0.955 59.142 58.200 -0.021 0.000 0.983 1186 S CB -0.322 62.871 63.200 -0.012 0.000 0.803 1186 S HN 0.479 nan 8.310 nan 0.000 0.480 1187 K N 1.004 121.378 120.400 -0.044 0.000 2.031 1187 K HA 0.050 4.370 4.320 -0.000 0.000 0.205 1187 K C 2.281 178.879 176.600 -0.003 0.000 1.049 1187 K CA 1.020 57.287 56.287 -0.034 0.000 0.939 1187 K CB -0.122 32.350 32.500 -0.047 0.000 0.717 1187 K HN 0.216 nan 8.250 nan 0.000 0.438 1188 K N 1.111 121.507 120.400 -0.006 0.000 2.103 1188 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 1188 K C 2.115 178.731 176.600 0.028 0.000 1.048 1188 K CA 1.240 57.543 56.287 0.027 0.000 0.930 1188 K CB -0.394 32.115 32.500 0.016 0.000 0.716 1188 K HN 0.220 nan 8.250 nan 0.000 0.444 1189 I N 0.870 121.448 120.570 0.012 0.000 2.163 1189 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 1189 I C 2.418 178.548 176.117 0.021 0.000 1.081 1189 I CA 1.147 62.456 61.300 0.015 0.000 1.353 1189 I CB -0.421 37.583 38.000 0.006 0.000 1.054 1189 I HN 0.034 nan 8.210 nan 0.000 0.407 1190 A N 0.728 123.556 122.820 0.013 0.000 2.019 1190 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 1190 A C 2.509 180.113 177.584 0.033 0.000 1.164 1190 A CA 1.665 53.710 52.037 0.013 0.000 0.644 1190 A CB -0.707 18.289 19.000 -0.006 0.000 0.805 1190 A HN 0.445 nan 8.150 nan 0.000 0.449 1191 A N -1.582 121.267 122.820 0.049 0.000 1.902 1191 A HA 0.270 4.590 4.320 -0.000 0.000 0.217 1191 A C 2.204 179.880 177.584 0.152 0.000 1.181 1191 A CA 2.009 54.113 52.037 0.113 0.000 0.623 1191 A CB -0.986 18.094 19.000 0.133 0.000 0.818 1191 A HN 1.929 nan 8.150 nan 0.000 0.443 1192 G N -2.816 106.042 108.800 0.096 0.000 2.159 1192 G HA2 0.179 4.139 3.960 -0.000 0.000 0.227 1192 G HA3 0.179 4.139 3.960 -0.000 0.000 0.227 1192 G C 0.412 175.349 174.900 0.062 0.000 0.986 1192 G CA 0.448 45.593 45.100 0.076 0.000 0.651 1192 G HN 1.591 nan 8.290 nan 0.000 0.523 1193 A N 0.088 122.950 122.820 0.070 0.000 2.366 1193 A HA 0.573 4.893 4.320 -0.000 0.000 0.249 1193 A C 1.229 178.831 177.584 0.031 0.000 1.084 1193 A CA 0.798 52.864 52.037 0.048 0.000 0.794 1193 A CB 0.378 19.414 19.000 0.059 0.000 1.034 1193 A HN 0.161 nan 8.150 nan 0.000 0.491 1194 D N 0.334 120.745 120.400 0.018 0.000 2.162 1194 D HA 0.171 4.811 4.640 -0.000 0.000 0.205 1194 D C 0.891 177.196 176.300 0.009 0.000 0.964 1194 D CA 1.685 55.691 54.000 0.010 0.000 0.847 1194 D CB -0.131 40.669 40.800 0.001 0.000 0.988 1194 D HN 0.638 nan 8.370 nan 0.000 0.480 1195 A N 0.445 123.272 122.820 0.012 0.000 2.325 1195 A HA 0.687 5.007 4.320 -0.000 0.000 0.333 1195 A C -0.560 177.038 177.584 0.024 0.000 1.155 1195 A CA -0.457 51.588 52.037 0.013 0.000 0.814 1195 A CB 1.158 20.164 19.000 0.010 0.000 1.206 1195 A HN 0.072 nan 8.150 nan 0.000 0.482 1196 I N 1.962 122.545 120.570 0.023 0.000 2.500 1196 I HA 0.282 4.452 4.170 -0.000 0.000 0.286 1196 I C -1.075 175.056 176.117 0.023 0.000 1.063 1196 I CA -0.597 60.721 61.300 0.031 0.000 1.062 1196 I CB 2.141 40.158 38.000 0.029 0.000 1.223 1196 I HN 0.283 nan 8.210 nan 0.000 0.435 1197 V N 7.252 127.185 119.914 0.032 0.000 2.347 1197 V HA 0.433 4.553 4.120 -0.000 0.000 0.280 1197 V C 0.046 176.157 176.094 0.029 0.000 1.021 1197 V CA -0.418 61.891 62.300 0.015 0.000 0.847 1197 V CB 1.481 33.322 31.823 0.031 0.000 0.990 1197 V HN 0.466 nan 8.190 nan 0.000 0.444 1198 L N 4.012 125.244 121.223 0.015 0.000 2.309 1198 L HA 0.579 4.919 4.340 -0.000 0.000 0.282 1198 L C -0.248 176.637 176.870 0.025 0.000 1.036 1198 L CA -0.442 54.421 54.840 0.039 0.000 0.806 1198 L CB 1.582 43.660 42.059 0.032 0.000 1.220 1198 L HN 0.497 nan 8.230 nan 0.000 0.429 1199 D N 2.587 123.013 120.400 0.044 0.000 2.472 1199 D HA 0.255 4.895 4.640 -0.000 0.000 0.234 1199 D C -0.811 175.509 176.300 0.033 0.000 1.088 1199 D CA -0.327 53.691 54.000 0.030 0.000 0.882 1199 D CB 1.265 42.079 40.800 0.024 0.000 1.037 1199 D HN 0.055 nan 8.370 nan 0.000 0.520 1200 V N 5.367 125.295 119.914 0.024 0.000 2.389 1200 V HA 0.187 4.307 4.120 -0.000 0.000 0.264 1200 V C 0.696 176.791 176.094 0.002 0.000 1.049 1200 V CA -0.581 61.730 62.300 0.018 0.000 0.932 1200 V CB 0.661 32.491 31.823 0.011 0.000 1.011 1200 V HN 0.264 nan 8.190 nan 0.000 0.475 1201 K N 2.726 123.121 120.400 -0.009 0.000 2.218 1201 K HA 0.496 4.816 4.320 -0.000 0.000 0.276 1201 K C 0.033 176.601 176.600 -0.055 0.000 1.022 1201 K CA -0.116 56.153 56.287 -0.032 0.000 0.946 1201 K CB 1.635 34.102 32.500 -0.054 0.000 1.000 1201 K HN 0.676 nan 8.250 nan 0.000 0.468 1202 T N -0.062 114.439 114.554 -0.088 0.000 2.893 1202 T HA 0.666 5.016 4.350 -0.000 0.000 0.293 1202 T C -0.497 174.130 174.700 -0.122 0.000 1.027 1202 T CA 0.364 62.380 62.100 -0.141 0.000 0.988 1202 T CB 1.071 69.767 68.868 -0.286 0.000 1.043 1202 T HN 0.841 nan 8.240 nan 0.000 0.461 1203 G N 1.655 110.399 108.800 -0.093 0.000 2.353 1203 G HA2 0.400 4.360 3.960 -0.000 0.000 0.615 1203 G HA3 0.400 4.360 3.960 -0.000 0.000 0.615 1203 G C 0.791 175.664 174.900 -0.045 0.000 1.280 1203 G CA -0.012 45.051 45.100 -0.062 0.000 1.000 1203 G HN 1.223 nan 8.290 nan 0.000 0.516 1204 A N -0.665 122.128 122.820 -0.046 0.000 1.903 1204 A HA 0.193 4.513 4.320 -0.000 0.000 0.219 1204 A C 2.673 180.194 177.584 -0.105 0.000 1.191 1204 A CA 3.037 55.034 52.037 -0.067 0.000 0.638 1204 A CB -1.011 17.948 19.000 -0.069 0.000 0.823 1204 A HN 2.388 nan 8.150 nan 0.000 0.451 1205 G N -1.522 107.223 108.800 -0.092 0.000 2.956 1205 G HA2 0.419 4.379 3.960 -0.000 0.000 0.207 1205 G HA3 0.419 4.379 3.960 -0.000 0.000 0.207 1205 G C 0.380 175.286 174.900 0.010 0.000 1.162 1205 G CA 0.840 45.885 45.100 -0.092 0.000 0.796 1205 G HN 0.895 nan 8.290 nan 0.000 0.527 1206 A N -0.862 121.945 122.820 -0.022 0.000 2.387 1206 A HA 0.748 5.068 4.320 -0.000 0.000 0.303 1206 A C 0.331 177.915 177.584 0.002 0.000 1.145 1206 A CA -0.720 51.259 52.037 -0.096 0.000 0.801 1206 A CB 0.806 19.759 19.000 -0.079 0.000 1.342 1206 A HN -0.022 nan 8.150 nan 0.000 0.440 1207 F N -0.249 119.750 119.950 0.081 0.000 2.259 1207 F HA 0.087 4.614 4.527 -0.000 0.000 0.298 1207 F C 1.181 177.001 175.800 0.033 0.000 1.088 1207 F CA 0.736 58.775 58.000 0.065 0.000 1.358 1207 F CB -0.133 38.877 39.000 0.015 0.000 1.040 1207 F HN 0.199 nan 8.300 nan 0.000 0.505 1208 M N 1.544 121.244 119.600 0.167 0.000 2.151 1208 M HA 0.154 4.634 4.480 -0.000 0.000 0.349 1208 M C 0.999 177.312 176.300 0.022 0.000 1.284 1208 M CA -0.166 55.176 55.300 0.071 0.000 1.173 1208 M CB 1.029 33.648 32.600 0.032 0.000 1.469 1208 M HN -0.040 nan 8.290 nan 0.000 0.439 1209 K N 1.947 122.360 120.400 0.023 0.000 2.062 1209 K HA 0.050 4.370 4.320 -0.000 0.000 0.205 1209 K C 0.397 176.974 176.600 -0.038 0.000 1.051 1209 K CA 1.057 57.341 56.287 -0.004 0.000 0.941 1209 K CB 0.157 32.663 32.500 0.010 0.000 0.719 1209 K HN 0.509 nan 8.250 nan 0.000 0.440 1210 K N 0.683 121.059 120.400 -0.040 0.000 2.156 1210 K HA 0.149 4.469 4.320 -0.000 0.000 0.250 1210 K C 0.942 177.489 176.600 -0.088 0.000 0.955 1210 K CA -0.478 55.773 56.287 -0.060 0.000 0.855 1210 K CB 1.628 34.106 32.500 -0.038 0.000 1.101 1210 K HN -0.225 nan 8.250 nan 0.000 0.434 1211 L N 2.295 123.444 121.223 -0.123 0.000 2.043 1211 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 1211 L C 1.118 177.939 176.870 -0.083 0.000 1.075 1211 L CA 2.159 56.908 54.840 -0.151 0.000 0.752 1211 L CB -0.402 41.563 42.059 -0.156 0.000 0.891 1211 L HN 0.688 nan 8.230 nan 0.000 0.432 1212 D N -0.589 119.779 120.400 -0.054 0.000 2.149 1212 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 1212 D C 2.092 178.371 176.300 -0.034 0.000 0.990 1212 D CA 1.600 55.579 54.000 -0.035 0.000 0.839 1212 D CB -0.048 40.737 40.800 -0.025 0.000 0.948 1212 D HN 0.538 nan 8.370 nan 0.000 0.460 1213 E N 0.324 120.502 120.200 -0.037 0.000 2.072 1213 E HA -0.099 4.250 4.350 -0.000 0.000 0.191 1213 E C 2.123 178.707 176.600 -0.027 0.000 0.985 1213 E CA 1.010 57.392 56.400 -0.030 0.000 0.801 1213 E CB -0.108 29.578 29.700 -0.024 0.000 0.750 1213 E HN 0.248 nan 8.360 nan 0.000 0.452 1214 A N 1.509 124.306 122.820 -0.039 0.000 1.930 1214 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 1214 A C 2.118 179.685 177.584 -0.029 0.000 1.175 1214 A CA 1.362 53.377 52.037 -0.037 0.000 0.627 1214 A CB -0.395 18.561 19.000 -0.073 0.000 0.815 1214 A HN 0.057 nan 8.150 nan 0.000 0.443 1215 R N -0.679 119.802 120.500 -0.032 0.000 2.092 1215 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 1215 R C 2.435 178.726 176.300 -0.014 0.000 1.119 1215 R CA 1.462 57.550 56.100 -0.019 0.000 0.970 1215 R CB -0.235 30.055 30.300 -0.017 0.000 0.864 1215 R HN 0.539 nan 8.270 nan 0.000 0.440 1216 R N 0.229 120.719 120.500 -0.017 0.000 2.092 1216 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 1216 R C 2.203 178.495 176.300 -0.014 0.000 1.119 1216 R CA 1.273 57.364 56.100 -0.016 0.000 0.970 1216 R CB -0.198 30.089 30.300 -0.021 0.000 0.864 1216 R HN 0.216 nan 8.270 nan 0.000 0.440 1217 L N 0.299 121.515 121.223 -0.011 0.000 2.109 1217 L HA 0.071 4.411 4.340 -0.000 0.000 0.207 1217 L C 2.123 178.992 176.870 -0.002 0.000 1.086 1217 L CA 1.836 56.674 54.840 -0.004 0.000 0.760 1217 L CB -0.389 41.674 42.059 0.007 0.000 0.910 1217 L HN 0.162 nan 8.230 nan 0.000 0.437 1218 A N -0.320 122.499 122.820 -0.003 0.000 1.898 1218 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 1218 A C 2.430 180.012 177.584 -0.005 0.000 1.181 1218 A CA 1.637 53.672 52.037 -0.002 0.000 0.620 1218 A CB -0.560 18.438 19.000 -0.004 0.000 0.819 1218 A HN 0.437 nan 8.150 nan 0.000 0.442 1219 R N -0.208 120.289 120.500 -0.006 0.000 2.073 1219 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 1219 R C 1.899 178.195 176.300 -0.006 0.000 1.134 1219 R CA 1.982 58.078 56.100 -0.006 0.000 0.952 1219 R CB -0.991 29.305 30.300 -0.006 0.000 0.850 1219 R HN 0.267 nan 8.270 nan 0.000 0.433 1220 V N 0.588 120.498 119.914 -0.008 0.000 2.332 1220 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 1220 V C 2.304 178.393 176.094 -0.008 0.000 1.055 1220 V CA 2.225 64.519 62.300 -0.009 0.000 1.038 1220 V CB -0.436 31.380 31.823 -0.011 0.000 0.651 1220 V HN 0.374 nan 8.190 nan 0.000 0.450 1221 M N -1.034 118.562 119.600 -0.007 0.000 2.193 1221 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 1221 M C 2.240 178.537 176.300 -0.006 0.000 1.071 1221 M CA 1.275 56.570 55.300 -0.007 0.000 1.140 1221 M CB -0.402 32.194 32.600 -0.006 0.000 1.369 1221 M HN 0.216 nan 8.290 nan 0.000 0.423 1222 V N 0.758 120.668 119.914 -0.005 0.000 2.407 1222 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 1222 V C 1.639 177.730 176.094 -0.004 0.000 1.055 1222 V CA 1.819 64.116 62.300 -0.006 0.000 1.049 1222 V CB -0.685 31.134 31.823 -0.007 0.000 0.662 1222 V HN 0.392 nan 8.190 nan 0.000 0.455 1223 D N -0.251 120.147 120.400 -0.004 0.000 2.183 1223 D HA -0.041 4.599 4.640 -0.000 0.000 0.203 1223 D C 2.044 178.342 176.300 -0.003 0.000 0.969 1223 D CA 1.025 55.023 54.000 -0.004 0.000 0.842 1223 D CB -0.065 40.733 40.800 -0.004 0.000 0.957 1223 D HN 0.387 nan 8.370 nan 0.000 0.484 1224 I N 0.779 121.347 120.570 -0.004 0.000 2.315 1224 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 1224 I C 2.443 178.559 176.117 -0.002 0.000 1.117 1224 I CA 1.152 62.450 61.300 -0.004 0.000 1.404 1224 I CB -0.228 37.769 38.000 -0.006 0.000 1.071 1224 I HN 0.011 nan 8.210 nan 0.000 0.419 1225 G N 0.595 109.394 108.800 -0.003 0.000 2.394 1225 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 1225 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 1225 G C 1.730 176.630 174.900 0.000 0.000 1.165 1225 G CA 0.370 45.470 45.100 -0.000 0.000 0.784 1225 G HN 0.267 nan 8.290 nan 0.000 0.535 1226 K N 0.201 120.600 120.400 -0.001 0.000 2.057 1226 K HA -0.032 4.288 4.320 -0.000 0.000 0.207 1226 K C 2.655 179.255 176.600 -0.001 0.000 1.049 1226 K CA 0.791 57.077 56.287 -0.001 0.000 0.931 1226 K CB -0.144 32.354 32.500 -0.002 0.000 0.714 1226 K HN 0.157 nan 8.250 nan 0.000 0.440 1227 R N 0.602 121.102 120.500 -0.000 0.000 2.200 1227 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 1227 R C 1.593 177.894 176.300 0.001 0.000 1.127 1227 R CA 1.310 57.410 56.100 0.000 0.000 0.989 1227 R CB -0.179 30.121 30.300 0.000 0.000 0.869 1227 R HN 0.162 nan 8.270 nan 0.000 0.459 1228 V N -3.493 116.422 119.914 0.002 0.000 3.043 1228 V HA 0.484 4.604 4.120 -0.000 0.000 0.357 1228 V C 0.683 176.779 176.094 0.003 0.000 1.372 1228 V CA 0.024 62.326 62.300 0.003 0.000 1.214 1228 V CB 0.177 32.003 31.823 0.004 0.000 1.224 1228 V HN 0.317 nan 8.190 nan 0.000 0.507 1229 G N 1.301 110.102 108.800 0.002 0.000 2.246 1229 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.273 1229 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.273 1229 G C 0.082 174.982 174.900 0.001 0.000 1.055 1229 G CA 0.225 45.326 45.100 0.001 0.000 0.851 1229 G HN 0.614 nan 8.290 nan 0.000 0.500 1230 R N -0.449 120.052 120.500 0.001 0.000 2.589 1230 R HA 0.434 4.774 4.340 -0.000 0.000 0.293 1230 R C 0.357 176.656 176.300 -0.001 0.000 0.963 1230 R CA -1.023 55.079 56.100 0.002 0.000 0.905 1230 R CB 0.977 31.281 30.300 0.007 0.000 1.144 1230 R HN 0.353 nan 8.270 nan 0.000 0.459 1231 R N 1.367 121.865 120.500 -0.003 0.000 2.441 1231 R HA 0.154 4.494 4.340 -0.000 0.000 0.300 1231 R C -0.381 175.918 176.300 -0.003 0.000 1.284 1231 R CA 0.156 56.251 56.100 -0.008 0.000 1.069 1231 R CB -0.071 30.220 30.300 -0.015 0.000 1.087 1231 R HN 0.401 nan 8.270 nan 0.000 0.519 1232 T N 4.225 118.777 114.554 -0.004 0.000 2.771 1232 T HA 0.495 4.845 4.350 -0.000 0.000 0.281 1232 T C 0.133 174.826 174.700 -0.012 0.000 0.982 1232 T CA -0.794 61.303 62.100 -0.004 0.000 0.978 1232 T CB 1.121 69.988 68.868 -0.002 0.000 0.930 1232 T HN 0.503 nan 8.240 nan 0.000 0.447 1233 M N 1.340 120.926 119.600 -0.022 0.000 2.631 1233 M HA 0.961 5.441 4.480 -0.000 0.000 0.288 1233 M C -1.575 174.690 176.300 -0.058 0.000 1.260 1233 M CA -1.189 54.083 55.300 -0.047 0.000 0.842 1233 M CB 2.188 34.742 32.600 -0.076 0.000 1.743 1233 M HN 0.563 nan 8.290 nan 0.000 0.461 1234 A N 1.206 123.985 122.820 -0.070 0.000 2.515 1234 A HA 0.863 5.183 4.320 -0.000 0.000 0.298 1234 A C -1.513 176.028 177.584 -0.071 0.000 1.059 1234 A CA -0.788 51.216 52.037 -0.055 0.000 0.698 1234 A CB 2.046 21.033 19.000 -0.021 0.000 1.289 1234 A HN 0.761 nan 8.150 nan 0.000 0.404 1235 V N 2.155 122.040 119.914 -0.049 0.000 2.540 1235 V HA 0.420 4.540 4.120 -0.000 0.000 0.302 1235 V C -0.480 175.627 176.094 0.022 0.000 1.035 1235 V CA -0.229 62.059 62.300 -0.020 0.000 0.873 1235 V CB 1.706 33.519 31.823 -0.015 0.000 0.992 1235 V HN 0.725 nan 8.190 nan 0.000 0.428 1236 I N 4.601 125.201 120.570 0.051 0.000 2.310 1236 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 1236 I C 0.684 176.888 176.117 0.145 0.000 1.073 1236 I CA 0.152 61.490 61.300 0.062 0.000 1.216 1236 I CB 0.937 38.961 38.000 0.040 0.000 1.415 1236 I HN 0.762 nan 8.210 nan 0.000 0.480 1237 S N 2.748 118.515 115.700 0.112 0.000 2.713 1237 S HA 0.405 4.875 4.470 -0.000 0.000 0.283 1237 S C -0.526 174.179 174.600 0.175 0.000 1.161 1237 S CA -0.941 57.355 58.200 0.159 0.000 0.999 1237 S CB 2.138 65.384 63.200 0.077 0.000 1.039 1237 S HN 0.484 nan 8.310 nan 0.000 0.548 1238 D N -0.353 120.188 120.400 0.234 0.000 2.302 1238 D HA 0.465 5.105 4.640 -0.000 0.000 0.248 1238 D C -0.292 176.048 176.300 0.068 0.000 1.094 1238 D CA -0.260 53.875 54.000 0.225 0.000 0.897 1238 D CB 0.954 41.942 40.800 0.313 0.000 1.200 1238 D HN 0.448 nan 8.370 nan 0.000 0.429 1239 M N 2.334 121.950 119.600 0.027 0.000 3.470 1239 M HA 0.120 4.600 4.480 -0.000 0.000 0.454 1239 M C 0.251 176.538 176.300 -0.022 0.000 1.631 1239 M CA -0.183 55.107 55.300 -0.016 0.000 0.732 1239 M CB -0.044 32.532 32.600 -0.040 0.000 1.454 1239 M HN 0.291 nan 8.290 nan 0.000 0.521 1240 S N -0.363 115.338 115.700 0.002 0.000 2.701 1240 S HA 0.269 4.739 4.470 -0.000 0.000 0.220 1240 S C 0.275 174.865 174.600 -0.016 0.000 0.954 1240 S CA -0.005 58.193 58.200 -0.004 0.000 0.936 1240 S CB -0.444 62.772 63.200 0.026 0.000 0.777 1240 S HN 0.663 nan 8.310 nan 0.000 0.518 1241 Q N -1.782 118.003 119.800 -0.026 0.000 2.721 1241 Q HA 0.500 4.840 4.340 -0.000 0.000 0.282 1241 Q C -3.593 172.377 176.000 -0.051 0.000 0.932 1241 Q CA -2.005 53.777 55.803 -0.035 0.000 0.816 1241 Q CB 0.055 28.781 28.738 -0.021 0.000 1.506 1241 Q HN -0.009 nan 8.270 nan 0.000 0.399 1242 P HA 0.061 nan 4.420 nan 0.000 0.269 1242 P C -1.012 176.228 177.300 -0.101 0.000 1.217 1242 P CA -0.391 62.666 63.100 -0.071 0.000 0.783 1242 P CB 0.348 32.011 31.700 -0.062 0.000 0.898 1243 L N 2.253 123.410 121.223 -0.111 0.000 2.281 1243 L HA 0.529 4.869 4.340 -0.000 0.000 0.285 1243 L C 0.874 177.621 176.870 -0.205 0.000 1.074 1243 L CA 1.136 55.886 54.840 -0.150 0.000 0.817 1243 L CB -0.531 41.458 42.059 -0.117 0.000 1.168 1243 L HN 0.767 nan 8.230 nan 0.000 0.434 1244 G N 3.869 112.468 108.800 -0.335 0.000 2.509 1244 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.259 1244 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.259 1244 G C 0.130 174.669 174.900 -0.601 0.000 1.169 1244 G CA 0.530 45.323 45.100 -0.512 0.000 0.953 1244 G HN 0.581 nan 8.290 nan 0.000 0.563 1245 Y N 0.027 120.294 120.300 -0.055 0.000 2.769 1245 Y HA 0.673 5.223 4.550 -0.000 0.000 0.266 1245 Y C 2.181 178.040 175.900 -0.069 0.000 1.091 1245 Y CA 0.798 58.867 58.100 -0.053 0.000 1.272 1245 Y CB -0.758 37.688 38.460 -0.023 0.000 1.469 1245 Y HN 0.987 nan 8.280 nan 0.000 0.475 1246 A N 1.115 123.990 122.820 0.092 0.000 2.466 1246 A HA 0.478 4.798 4.320 -0.000 0.000 0.238 1246 A C -0.550 177.021 177.584 -0.021 0.000 1.074 1246 A CA 0.186 52.230 52.037 0.011 0.000 0.774 1246 A CB -0.015 18.983 19.000 -0.003 0.000 1.015 1246 A HN 0.082 nan 8.150 nan 0.000 0.498 1247 V N 1.825 121.719 119.914 -0.034 0.000 2.610 1247 V HA 0.672 4.792 4.120 -0.000 0.000 0.288 1247 V C 0.495 176.572 176.094 -0.028 0.000 1.055 1247 V CA 0.409 62.690 62.300 -0.031 0.000 0.902 1247 V CB 0.644 32.449 31.823 -0.030 0.000 1.030 1247 V HN 1.923 nan 8.190 nan 0.000 0.448 1248 G N 4.496 113.283 108.800 -0.022 0.000 2.591 1248 G HA2 0.122 4.082 3.960 -0.000 0.000 0.104 1248 G HA3 0.122 4.082 3.960 -0.000 0.000 0.104 1248 G C -0.312 174.582 174.900 -0.009 0.000 1.097 1248 G CA 0.437 45.529 45.100 -0.012 0.000 1.076 1248 G HN 0.513 nan 8.290 nan 0.000 0.485 1249 N N -0.642 118.052 118.700 -0.009 0.000 3.251 1249 N HA 0.417 5.156 4.740 -0.000 0.000 0.227 1249 N C 2.096 177.599 175.510 -0.012 0.000 1.084 1249 N CA 0.835 53.881 53.050 -0.007 0.000 1.167 1249 N CB -0.070 38.417 38.487 0.001 0.000 1.548 1249 N HN 0.658 nan 8.380 nan 0.000 0.592 1250 A N 0.932 123.746 122.820 -0.010 0.000 2.019 1250 A HA 0.009 4.328 4.320 -0.000 0.000 0.219 1250 A C 1.907 179.481 177.584 -0.017 0.000 1.164 1250 A CA 1.088 53.120 52.037 -0.008 0.000 0.644 1250 A CB -0.894 18.106 19.000 -0.000 0.000 0.805 1250 A HN 0.235 nan 8.150 nan 0.000 0.449 1251 L N -0.965 120.232 121.223 -0.044 0.000 2.217 1251 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 1251 L C 2.432 179.281 176.870 -0.036 0.000 1.107 1251 L CA 1.191 55.986 54.840 -0.074 0.000 0.783 1251 L CB -0.431 41.543 42.059 -0.143 0.000 0.919 1251 L HN 0.462 nan 8.230 nan 0.000 0.442 1252 E N -0.440 119.746 120.200 -0.024 0.000 2.170 1252 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 1252 E C 2.321 178.923 176.600 0.004 0.000 0.981 1252 E CA 0.626 57.017 56.400 -0.015 0.000 0.830 1252 E CB 0.156 29.843 29.700 -0.021 0.000 0.775 1252 E HN 0.232 nan 8.360 nan 0.000 0.470 1253 V N 2.001 121.928 119.914 0.022 0.000 2.343 1253 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 1253 V C 2.055 178.201 176.094 0.087 0.000 1.051 1253 V CA 1.766 64.109 62.300 0.072 0.000 1.036 1253 V CB -0.336 31.527 31.823 0.068 0.000 0.654 1253 V HN 0.194 nan 8.190 nan 0.000 0.451 1254 K N -0.401 120.031 120.400 0.053 0.000 2.211 1254 K HA -0.199 4.121 4.320 -0.000 0.000 0.203 1254 K C 2.147 178.773 176.600 0.045 0.000 1.050 1254 K CA 1.379 57.699 56.287 0.055 0.000 0.945 1254 K CB -0.088 32.432 32.500 0.033 0.000 0.732 1254 K HN 0.526 nan 8.250 nan 0.000 0.451 1255 E N 0.549 120.764 120.200 0.026 0.000 2.158 1255 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 1255 E C 1.917 178.507 176.600 -0.017 0.000 0.982 1255 E CA 0.614 57.023 56.400 0.016 0.000 0.823 1255 E CB 0.085 29.790 29.700 0.007 0.000 0.766 1255 E HN 0.306 nan 8.360 nan 0.000 0.468 1256 A N 1.258 124.058 122.820 -0.034 0.000 1.858 1256 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 1256 A C 2.118 179.607 177.584 -0.159 0.000 1.190 1256 A CA 1.322 53.282 52.037 -0.128 0.000 0.617 1256 A CB -0.695 18.216 19.000 -0.148 0.000 0.827 1256 A HN 0.278 nan 8.150 nan 0.000 0.443 1257 I N -0.506 120.053 120.570 -0.018 0.000 2.264 1257 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 1257 I C 2.589 178.724 176.117 0.030 0.000 1.111 1257 I CA 1.859 63.200 61.300 0.070 0.000 1.382 1257 I CB -0.393 37.730 38.000 0.205 0.000 1.060 1257 I HN 0.561 nan 8.210 nan 0.000 0.418 1258 E N 0.668 120.883 120.200 0.025 0.000 2.150 1258 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 1258 E C 1.991 178.594 176.600 0.005 0.000 0.985 1258 E CA 1.549 57.965 56.400 0.026 0.000 0.814 1258 E CB 0.132 29.855 29.700 0.039 0.000 0.752 1258 E HN 0.415 nan 8.360 nan 0.000 0.466 1259 T N 1.276 115.815 114.554 -0.026 0.000 2.851 1259 T HA -0.017 4.333 4.350 -0.000 0.000 0.262 1259 T C 1.815 176.482 174.700 -0.056 0.000 1.043 1259 T CA 0.580 62.655 62.100 -0.042 0.000 1.140 1259 T CB -0.092 68.734 68.868 -0.070 0.000 0.872 1259 T HN 0.154 nan 8.240 nan 0.000 0.446 1260 L N 0.389 121.556 121.223 -0.092 0.000 2.450 1260 L HA -0.009 4.331 4.340 -0.000 0.000 0.224 1260 L C 2.049 178.902 176.870 -0.028 0.000 1.149 1260 L CA 1.137 55.921 54.840 -0.093 0.000 0.816 1260 L CB -0.268 41.687 42.059 -0.173 0.000 0.932 1260 L HN 0.175 nan 8.230 nan 0.000 0.449 1261 K N -0.714 119.682 120.400 -0.007 0.000 2.358 1261 K HA 0.217 4.537 4.320 -0.000 0.000 0.200 1261 K C 1.125 177.731 176.600 0.011 0.000 1.030 1261 K CA 0.498 56.793 56.287 0.014 0.000 1.097 1261 K CB 0.788 33.305 32.500 0.029 0.000 0.862 1261 K HN 0.233 nan 8.250 nan 0.000 0.534 1262 G N 1.698 110.499 108.800 0.002 0.000 2.143 1262 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.249 1262 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.249 1262 G C 0.214 175.124 174.900 0.018 0.000 0.981 1262 G CA 0.569 45.673 45.100 0.007 0.000 0.665 1262 G HN 0.460 nan 8.290 nan 0.000 0.528 1263 N N -0.096 118.617 118.700 0.022 0.000 2.220 1263 N HA 0.370 5.110 4.740 -0.000 0.000 0.195 1263 N C 1.637 177.176 175.510 0.049 0.000 1.123 1263 N CA 0.177 53.249 53.050 0.035 0.000 0.874 1263 N CB 0.487 38.995 38.487 0.035 0.000 0.995 1263 N HN 0.540 nan 8.380 nan 0.000 0.498 1264 G N 1.618 110.438 108.800 0.033 0.000 2.712 1264 G HA2 0.186 4.146 3.960 -0.000 0.000 0.258 1264 G HA3 0.186 4.146 3.960 -0.000 0.000 0.258 1264 G C -2.317 172.613 174.900 0.050 0.000 1.241 1264 G CA -0.638 44.483 45.100 0.035 0.000 0.923 1264 G HN -0.050 nan 8.290 nan 0.000 0.548 1265 P HA 0.062 nan 4.420 nan 0.000 0.269 1265 P C 0.856 178.112 177.300 -0.074 0.000 1.209 1265 P CA -0.117 62.949 63.100 -0.057 0.000 0.776 1265 P CB 0.491 32.012 31.700 -0.299 0.000 0.876 1266 H N 2.806 121.854 119.070 -0.037 0.000 2.326 1266 H HA -0.158 4.398 4.556 -0.000 0.000 0.301 1266 H C 0.982 176.276 175.328 -0.057 0.000 1.081 1266 H CA 1.962 57.989 56.048 -0.034 0.000 1.334 1266 H CB -0.793 28.960 29.762 -0.015 0.000 1.385 1266 H HN 0.405 nan 8.280 nan 0.000 0.504 1267 D N 1.440 121.418 120.400 -0.704 0.000 2.178 1267 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 1267 D C 2.280 178.449 176.300 -0.219 0.000 0.980 1267 D CA 0.788 54.546 54.000 -0.402 0.000 0.842 1267 D CB -0.655 39.849 40.800 -0.493 0.000 0.948 1267 D HN 0.426 nan 8.370 nan 0.000 0.472 1268 L N 0.685 121.771 121.223 -0.229 0.000 2.068 1268 L HA 0.011 4.351 4.340 -0.000 0.000 0.204 1268 L C 2.180 178.991 176.870 -0.099 0.000 1.076 1268 L CA 1.759 56.508 54.840 -0.153 0.000 0.753 1268 L CB -0.976 40.987 42.059 -0.160 0.000 0.910 1268 L HN -0.036 nan 8.230 nan 0.000 0.439 1269 T N -0.493 114.012 114.554 -0.081 0.000 2.684 1269 T HA -0.237 4.112 4.350 -0.000 0.000 0.267 1269 T C 1.716 176.395 174.700 -0.035 0.000 1.036 1269 T CA 1.769 63.840 62.100 -0.047 0.000 1.148 1269 T CB -0.238 68.618 68.868 -0.019 0.000 0.863 1269 T HN 0.455 nan 8.240 nan 0.000 0.436 1270 E N 0.311 120.497 120.200 -0.024 0.000 2.049 1270 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 1270 E C 2.160 178.748 176.600 -0.020 0.000 1.007 1270 E CA 1.157 57.550 56.400 -0.011 0.000 0.809 1270 E CB -0.240 29.466 29.700 0.011 0.000 0.749 1270 E HN 0.248 nan 8.360 nan 0.000 0.450 1271 L N 0.510 121.715 121.223 -0.031 0.000 2.079 1271 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 1271 L C 2.254 179.114 176.870 -0.016 0.000 1.081 1271 L CA 1.680 56.507 54.840 -0.021 0.000 0.752 1271 L CB -0.452 41.586 42.059 -0.034 0.000 0.896 1271 L HN 0.334 nan 8.230 nan 0.000 0.433 1272 C N -1.033 118.248 119.300 -0.033 0.000 2.432 1272 C HA -0.059 4.401 4.460 -0.000 0.000 0.280 1272 C C 2.663 177.638 174.990 -0.024 0.000 1.353 1272 C CA 0.396 59.394 59.018 -0.033 0.000 1.766 1272 C CB -1.056 26.651 27.740 -0.055 0.000 1.924 1272 C HN 0.545 nan 8.230 nan 0.000 0.509 1273 L N 0.176 121.384 121.223 -0.025 0.000 2.131 1273 L HA -0.085 4.255 4.340 -0.000 0.000 0.206 1273 L C 2.706 179.557 176.870 -0.031 0.000 1.087 1273 L CA 1.318 56.141 54.840 -0.029 0.000 0.767 1273 L CB -0.984 41.056 42.059 -0.032 0.000 0.917 1273 L HN 0.318 nan 8.230 nan 0.000 0.441 1274 T N 0.486 115.033 114.554 -0.013 0.000 2.674 1274 T HA -0.134 4.215 4.350 -0.000 0.000 0.265 1274 T C 1.959 176.706 174.700 0.077 0.000 1.039 1274 T CA 1.265 63.367 62.100 0.004 0.000 1.150 1274 T CB -0.209 68.684 68.868 0.041 0.000 0.864 1274 T HN 0.169 nan 8.240 nan 0.000 0.427 1275 L N 0.527 121.813 121.223 0.105 0.000 2.109 1275 L HA 0.071 4.410 4.340 -0.000 0.000 0.207 1275 L C 2.998 179.935 176.870 0.112 0.000 1.086 1275 L CA 1.146 56.077 54.840 0.151 0.000 0.760 1275 L CB -0.923 41.181 42.059 0.075 0.000 0.910 1275 L HN 0.352 nan 8.230 nan 0.000 0.437 1276 G N 0.083 108.909 108.800 0.043 0.000 2.402 1276 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.216 1276 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.216 1276 G C 1.822 176.735 174.900 0.023 0.000 1.162 1276 G CA 0.977 46.090 45.100 0.022 0.000 0.777 1276 G HN 0.494 nan 8.290 nan 0.000 0.539 1277 S N 0.126 115.814 115.700 -0.020 0.000 2.382 1277 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 1277 S C 1.969 176.558 174.600 -0.017 0.000 1.027 1277 S CA 1.563 59.725 58.200 -0.063 0.000 0.991 1277 S CB -0.736 62.370 63.200 -0.158 0.000 0.823 1277 S HN 0.576 nan 8.310 nan 0.000 0.469 1278 H N 0.859 119.962 119.070 0.054 0.000 2.387 1278 H HA 0.138 4.694 4.556 -0.000 0.000 0.299 1278 H C 2.173 177.562 175.328 0.102 0.000 1.090 1278 H CA 1.944 58.052 56.048 0.101 0.000 1.332 1278 H CB -0.224 29.580 29.762 0.070 0.000 1.386 1278 H HN 0.364 nan 8.280 nan 0.000 0.516 1279 M N -0.598 119.111 119.600 0.182 0.000 2.200 1279 M HA -0.134 4.346 4.480 -0.000 0.000 0.265 1279 M C 2.091 178.445 176.300 0.091 0.000 1.066 1279 M CA 0.878 56.244 55.300 0.110 0.000 1.127 1279 M CB 0.258 32.898 32.600 0.068 0.000 1.379 1279 M HN 0.116 nan 8.290 nan 0.000 0.420 1280 V N -1.018 118.952 119.914 0.093 0.000 2.379 1280 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 1280 V C 2.116 178.295 176.094 0.140 0.000 1.044 1280 V CA 1.530 63.881 62.300 0.084 0.000 1.036 1280 V CB -0.826 31.032 31.823 0.058 0.000 0.664 1280 V HN 0.369 nan 8.190 nan 0.000 0.453 1281 Y N 0.823 121.130 120.300 0.012 0.000 2.145 1281 Y HA -0.161 4.389 4.550 -0.000 0.000 0.286 1281 Y C 2.188 178.105 175.900 0.028 0.000 1.145 1281 Y CA 1.387 59.496 58.100 0.015 0.000 1.148 1281 Y CB -0.448 38.021 38.460 0.015 0.000 0.981 1281 Y HN 0.137 nan 8.280 nan 0.000 0.507 1282 L N -0.610 120.639 121.223 0.042 0.000 2.275 1282 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 1282 L C 2.365 179.206 176.870 -0.048 0.000 1.119 1282 L CA 1.001 55.807 54.840 -0.056 0.000 0.790 1282 L CB -0.684 41.386 42.059 0.017 0.000 0.919 1282 L HN 0.273 nan 8.230 nan 0.000 0.443 1283 A N -0.868 121.949 122.820 -0.004 0.000 2.218 1283 A HA -0.008 4.312 4.320 -0.000 0.000 0.209 1283 A C 0.986 178.562 177.584 -0.014 0.000 1.168 1283 A CA 0.123 52.157 52.037 -0.005 0.000 0.804 1283 A CB -0.084 18.924 19.000 0.013 0.000 0.834 1283 A HN 0.498 nan 8.150 nan 0.000 0.482 1284 E N -1.228 118.957 120.200 -0.025 0.000 2.868 1284 E HA -0.180 4.170 4.350 -0.000 0.000 0.278 1284 E C 0.060 176.673 176.600 0.022 0.000 1.009 1284 E CA 0.656 57.045 56.400 -0.020 0.000 0.856 1284 E CB -1.034 28.642 29.700 -0.041 0.000 1.428 1284 E HN 0.414 nan 8.360 nan 0.000 0.423 1285 K N -0.746 119.679 120.400 0.042 0.000 2.387 1285 K HA 0.379 4.699 4.320 -0.000 0.000 0.198 1285 K C 0.204 176.836 176.600 0.054 0.000 1.022 1285 K CA 0.744 57.053 56.287 0.038 0.000 1.128 1285 K CB 1.138 33.655 32.500 0.029 0.000 0.853 1285 K HN 0.295 nan 8.250 nan 0.000 0.523 1286 A N 1.174 124.050 122.820 0.093 0.000 2.547 1286 A HA 0.451 4.770 4.320 -0.000 0.000 0.297 1286 A C -2.204 175.475 177.584 0.160 0.000 1.056 1286 A CA -0.963 51.132 52.037 0.097 0.000 0.688 1286 A CB 1.461 20.506 19.000 0.076 0.000 1.282 1286 A HN -0.147 nan 8.150 nan 0.000 0.400 1287 P HA -0.043 nan 4.420 nan 0.000 0.217 1287 P C 0.587 177.973 177.300 0.144 0.000 1.150 1287 P CA 1.896 65.067 63.100 0.117 0.000 0.832 1287 P CB 0.200 31.930 31.700 0.050 0.000 0.787 1288 S N -2.668 113.014 115.700 -0.030 0.000 2.705 1288 S HA 0.374 4.844 4.470 -0.000 0.000 0.280 1288 S C 0.821 175.122 174.600 -0.497 0.000 1.174 1288 S CA -0.893 57.100 58.200 -0.345 0.000 0.823 1288 S CB 0.667 63.741 63.200 -0.209 0.000 1.162 1288 S HN -0.122 nan 8.310 nan 0.000 0.487 1289 L N 0.653 121.483 121.223 -0.656 0.000 2.027 1289 L HA -0.037 4.303 4.340 -0.000 0.000 0.206 1289 L C 1.874 178.587 176.870 -0.261 0.000 1.074 1289 L CA 1.726 56.284 54.840 -0.470 0.000 0.745 1289 L CB -0.787 40.995 42.059 -0.463 0.000 0.898 1289 L HN 0.699 nan 8.230 nan 0.000 0.433 1290 D N -0.341 119.933 120.400 -0.210 0.000 2.117 1290 D HA -0.182 4.457 4.640 -0.000 0.000 0.197 1290 D C 2.187 178.425 176.300 -0.103 0.000 0.987 1290 D CA 0.943 54.862 54.000 -0.134 0.000 0.829 1290 D CB -0.040 40.696 40.800 -0.107 0.000 0.961 1290 D HN 0.211 nan 8.370 nan 0.000 0.460 1291 E N 0.434 120.573 120.200 -0.102 0.000 2.106 1291 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 1291 E C 2.134 178.702 176.600 -0.054 0.000 0.984 1291 E CA 0.915 57.278 56.400 -0.063 0.000 0.806 1291 E CB -0.358 29.314 29.700 -0.046 0.000 0.750 1291 E HN 0.289 nan 8.360 nan 0.000 0.458 1292 A N 1.542 124.318 122.820 -0.074 0.000 1.930 1292 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 1292 A C 2.236 179.787 177.584 -0.054 0.000 1.175 1292 A CA 1.578 53.587 52.037 -0.048 0.000 0.627 1292 A CB -0.442 18.530 19.000 -0.047 0.000 0.815 1292 A HN 0.142 nan 8.150 nan 0.000 0.443 1293 R N -0.274 120.177 120.500 -0.080 0.000 2.070 1293 R HA -0.104 4.236 4.340 -0.000 0.000 0.233 1293 R C 2.279 178.550 176.300 -0.048 0.000 1.137 1293 R CA 1.601 57.658 56.100 -0.070 0.000 0.945 1293 R CB -0.276 29.972 30.300 -0.087 0.000 0.845 1293 R HN 0.487 nan 8.270 nan 0.000 0.430 1294 R N 0.253 120.725 120.500 -0.047 0.000 2.193 1294 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 1294 R C 2.182 178.467 176.300 -0.024 0.000 1.110 1294 R CA 0.855 56.935 56.100 -0.033 0.000 0.988 1294 R CB -0.298 29.982 30.300 -0.033 0.000 0.871 1294 R HN 0.228 nan 8.270 nan 0.000 0.458 1295 L N 0.552 121.760 121.223 -0.024 0.000 2.240 1295 L HA -0.025 4.315 4.340 -0.000 0.000 0.211 1295 L C 1.703 178.566 176.870 -0.013 0.000 1.106 1295 L CA 1.397 56.228 54.840 -0.014 0.000 0.793 1295 L CB 0.029 42.082 42.059 -0.009 0.000 0.927 1295 L HN 0.106 nan 8.230 nan 0.000 0.446 1296 L N -1.116 120.095 121.223 -0.019 0.000 2.102 1296 L HA -0.076 4.264 4.340 -0.000 0.000 0.202 1296 L C 2.356 179.215 176.870 -0.018 0.000 1.076 1296 L CA 0.923 55.751 54.840 -0.019 0.000 0.761 1296 L CB -0.474 41.570 42.059 -0.025 0.000 0.921 1296 L HN 0.229 nan 8.230 nan 0.000 0.444 1297 E N 0.289 120.477 120.200 -0.020 0.000 2.209 1297 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 1297 E C 1.913 178.507 176.600 -0.011 0.000 0.993 1297 E CA 1.162 57.552 56.400 -0.016 0.000 0.819 1297 E CB -0.013 29.677 29.700 -0.018 0.000 0.745 1297 E HN 0.545 nan 8.360 nan 0.000 0.477 1298 E N 0.470 120.664 120.200 -0.010 0.000 2.112 1298 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 1298 E C 2.053 178.652 176.600 -0.001 0.000 0.979 1298 E CA 0.695 57.092 56.400 -0.005 0.000 0.814 1298 E CB -0.020 29.678 29.700 -0.005 0.000 0.762 1298 E HN 0.213 nan 8.360 nan 0.000 0.460 1299 A N 1.009 123.828 122.820 -0.002 0.000 2.067 1299 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 1299 A C 2.064 179.651 177.584 0.005 0.000 1.158 1299 A CA 0.767 52.806 52.037 0.003 0.000 0.661 1299 A CB -0.376 18.625 19.000 0.001 0.000 0.801 1299 A HN 0.113 nan 8.150 nan 0.000 0.452 1300 I N -1.117 119.452 120.570 -0.002 0.000 2.206 1300 I HA -0.185 3.985 4.170 -0.000 0.000 0.239 1300 I C 2.685 178.805 176.117 0.005 0.000 1.078 1300 I CA 1.015 62.314 61.300 -0.002 0.000 1.367 1300 I CB -0.349 37.645 38.000 -0.010 0.000 1.078 1300 I HN 0.246 nan 8.210 nan 0.000 0.413 1301 R N 0.823 121.326 120.500 0.004 0.000 2.096 1301 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 1301 R C 2.405 178.711 176.300 0.010 0.000 1.127 1301 R CA 1.780 57.884 56.100 0.007 0.000 0.968 1301 R CB -0.444 29.858 30.300 0.004 0.000 0.861 1301 R HN 0.452 nan 8.270 nan 0.000 0.440 1302 S N -0.694 115.013 115.700 0.010 0.000 2.489 1302 S HA 0.046 4.516 4.470 -0.000 0.000 0.228 1302 S C 1.520 176.132 174.600 0.019 0.000 0.995 1302 S CA 0.579 58.787 58.200 0.013 0.000 0.934 1302 S CB 0.339 63.546 63.200 0.012 0.000 0.771 1302 S HN 0.527 nan 8.310 nan 0.000 0.522 1303 G N 0.533 109.347 108.800 0.023 0.000 2.143 1303 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.249 1303 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.249 1303 G C 0.815 175.739 174.900 0.041 0.000 0.981 1303 G CA 0.151 45.271 45.100 0.033 0.000 0.665 1303 G HN 1.194 nan 8.290 nan 0.000 0.528 1304 A N -0.344 122.496 122.820 0.034 0.000 2.021 1304 A HA 0.622 4.942 4.320 -0.000 0.000 0.216 1304 A C 2.657 180.272 177.584 0.051 0.000 1.163 1304 A CA 1.964 54.025 52.037 0.040 0.000 0.676 1304 A CB -0.481 18.536 19.000 0.028 0.000 0.818 1304 A HN 1.693 nan 8.150 nan 0.000 0.453 1305 A N 1.032 123.876 122.820 0.042 0.000 1.872 1305 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 1305 A C 2.119 179.755 177.584 0.086 0.000 1.187 1305 A CA 1.417 53.478 52.037 0.040 0.000 0.614 1305 A CB -0.762 18.240 19.000 0.003 0.000 0.826 1305 A HN 0.839 nan 8.150 nan 0.000 0.442 1306 I N -2.513 118.113 120.570 0.092 0.000 2.315 1306 I HA -0.054 4.116 4.170 -0.000 0.000 0.248 1306 I C 2.395 178.632 176.117 0.200 0.000 1.117 1306 I CA 1.413 62.811 61.300 0.164 0.000 1.404 1306 I CB -0.604 37.471 38.000 0.124 0.000 1.071 1306 I HN 0.175 nan 8.210 nan 0.000 0.419 1307 A N 1.392 124.291 122.820 0.131 0.000 2.015 1307 A HA 0.145 4.465 4.320 -0.000 0.000 0.219 1307 A C 2.514 180.179 177.584 0.136 0.000 1.163 1307 A CA 1.527 53.631 52.037 0.112 0.000 0.646 1307 A CB -0.722 18.323 19.000 0.075 0.000 0.806 1307 A HN 0.585 nan 8.150 nan 0.000 0.448 1308 A N -1.446 121.467 122.820 0.155 0.000 2.016 1308 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 1308 A C 1.897 179.659 177.584 0.296 0.000 1.162 1308 A CA 1.229 53.369 52.037 0.172 0.000 0.662 1308 A CB -0.561 18.513 19.000 0.123 0.000 0.812 1308 A HN 0.520 nan 8.150 nan 0.000 0.450 1309 F N 1.207 121.236 119.950 0.131 0.000 2.113 1309 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 1309 F C 2.030 177.959 175.800 0.214 0.000 1.103 1309 F CA 1.662 59.784 58.000 0.203 0.000 1.248 1309 F CB -0.354 38.728 39.000 0.137 0.000 0.999 1309 F HN 0.164 nan 8.300 nan 0.000 0.475 1310 K N -0.766 119.704 120.400 0.117 0.000 2.097 1310 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 1310 K C 1.861 178.465 176.600 0.006 0.000 1.049 1310 K CA 1.934 58.204 56.287 -0.028 0.000 0.933 1310 K CB -0.645 31.867 32.500 0.021 0.000 0.717 1310 K HN 0.240 nan 8.250 nan 0.000 0.442 1311 T N 1.400 116.008 114.554 0.090 0.000 2.821 1311 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 1311 T C 1.464 176.247 174.700 0.138 0.000 1.046 1311 T CA 0.991 63.146 62.100 0.092 0.000 1.139 1311 T CB -0.324 68.609 68.868 0.107 0.000 0.871 1311 T HN 0.191 nan 8.240 nan 0.000 0.454 1312 F N 2.487 122.472 119.950 0.059 0.000 2.069 1312 F HA -0.041 4.486 4.527 -0.000 0.000 0.298 1312 F C 1.834 177.702 175.800 0.114 0.000 1.113 1312 F CA 0.952 59.016 58.000 0.105 0.000 1.214 1312 F CB -0.937 38.177 39.000 0.189 0.000 0.978 1312 F HN 0.055 nan 8.300 nan 0.000 0.474 1313 L N 0.345 121.384 121.223 -0.306 0.000 1.989 1313 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 1313 L C 2.862 179.618 176.870 -0.190 0.000 1.071 1313 L CA 1.516 56.167 54.840 -0.314 0.000 0.749 1313 L CB -1.521 40.355 42.059 -0.304 0.000 0.890 1313 L HN 0.257 nan 8.230 nan 0.000 0.431 1314 A N -0.013 122.734 122.820 -0.122 0.000 1.972 1314 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 1314 A C 2.524 180.046 177.584 -0.102 0.000 1.169 1314 A CA 1.677 53.661 52.037 -0.089 0.000 0.635 1314 A CB -0.684 18.286 19.000 -0.050 0.000 0.810 1314 A HN 0.435 nan 8.150 nan 0.000 0.446 1315 A N -1.052 121.713 122.820 -0.093 0.000 1.933 1315 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 1315 A C 1.804 179.293 177.584 -0.159 0.000 1.175 1315 A CA 1.503 53.493 52.037 -0.078 0.000 0.628 1315 A CB -0.293 18.710 19.000 0.006 0.000 0.814 1315 A HN 0.618 nan 8.150 nan 0.000 0.444 1316 Q N -1.662 117.954 119.800 -0.306 0.000 2.268 1316 Q HA 0.371 4.711 4.340 -0.000 0.000 0.289 1316 Q C 0.866 176.631 176.000 -0.391 0.000 0.893 1316 Q CA 0.180 55.708 55.803 -0.457 0.000 1.057 1316 Q CB 0.232 28.469 28.738 -0.835 0.000 1.173 1316 Q HN 0.798 nan 8.270 nan 0.000 0.449 1317 G N -0.138 108.545 108.800 -0.195 0.000 2.234 1317 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 1317 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 1317 G C 0.578 175.460 174.900 -0.030 0.000 0.987 1317 G CA -0.174 44.899 45.100 -0.044 0.000 0.625 1317 G HN 0.599 nan 8.290 nan 0.000 0.532 1318 G N -0.114 108.642 108.800 -0.075 0.000 2.732 1318 G HA2 0.375 4.335 3.960 -0.000 0.000 0.244 1318 G HA3 0.375 4.335 3.960 -0.000 0.000 0.244 1318 G C -0.260 174.628 174.900 -0.020 0.000 1.226 1318 G CA 0.651 45.766 45.100 0.025 0.000 0.860 1318 G HN 0.556 nan 8.290 nan 0.000 0.583 1319 D N -0.206 120.182 120.400 -0.020 0.000 2.412 1319 D HA 0.493 5.133 4.640 -0.000 0.000 0.224 1319 D C 1.092 177.356 176.300 -0.060 0.000 1.093 1319 D CA 0.127 54.108 54.000 -0.033 0.000 0.850 1319 D CB 1.149 41.937 40.800 -0.020 0.000 1.046 1319 D HN 0.316 nan 8.370 nan 0.000 0.507 1320 A N 2.826 125.609 122.820 -0.062 0.000 1.969 1320 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 1320 A C 2.046 179.599 177.584 -0.052 0.000 1.169 1320 A CA 1.504 53.495 52.037 -0.076 0.000 0.635 1320 A CB -0.606 18.363 19.000 -0.053 0.000 0.810 1320 A HN 0.618 nan 8.150 nan 0.000 0.445 1321 S N -0.338 115.345 115.700 -0.030 0.000 2.537 1321 S HA -0.066 4.404 4.470 -0.000 0.000 0.240 1321 S C 1.443 176.038 174.600 -0.010 0.000 0.981 1321 S CA 1.041 59.233 58.200 -0.013 0.000 0.948 1321 S CB -0.678 62.517 63.200 -0.008 0.000 0.759 1321 S HN 0.224 nan 8.310 nan 0.000 0.531 1322 V N 2.222 122.122 119.914 -0.023 0.000 2.867 1322 V HA -0.121 3.999 4.120 -0.000 0.000 0.260 1322 V C 2.478 178.577 176.094 0.008 0.000 1.099 1322 V CA 1.523 63.815 62.300 -0.014 0.000 1.122 1322 V CB -0.625 31.178 31.823 -0.034 0.000 0.708 1322 V HN 0.736 nan 8.190 nan 0.000 0.490 1323 V N -3.117 116.804 119.914 0.011 0.000 3.406 1323 V HA 0.036 4.156 4.120 -0.000 0.000 0.263 1323 V C 1.616 177.740 176.094 0.050 0.000 1.172 1323 V CA 1.328 63.661 62.300 0.054 0.000 1.140 1323 V CB -0.366 31.504 31.823 0.078 0.000 0.784 1323 V HN 0.425 nan 8.190 nan 0.000 0.467 1324 D N 0.584 121.004 120.400 0.033 0.000 2.259 1324 D HA 0.113 4.753 4.640 -0.000 0.000 0.216 1324 D C -0.029 176.288 176.300 0.028 0.000 0.961 1324 D CA 0.980 54.998 54.000 0.031 0.000 0.878 1324 D CB 0.103 40.916 40.800 0.021 0.000 1.009 1324 D HN 0.519 nan 8.370 nan 0.000 0.490 1325 D N 0.225 120.640 120.400 0.025 0.000 2.389 1325 D HA 0.223 4.863 4.640 -0.000 0.000 0.256 1325 D C 0.959 177.273 176.300 0.023 0.000 1.239 1325 D CA -0.209 53.804 54.000 0.021 0.000 0.925 1325 D CB 1.388 42.197 40.800 0.015 0.000 1.145 1325 D HN -0.051 nan 8.370 nan 0.000 0.542 1326 L N 0.533 121.773 121.223 0.029 0.000 2.551 1326 L HA -0.062 4.277 4.340 -0.000 0.000 0.228 1326 L C 0.964 177.850 176.870 0.026 0.000 1.153 1326 L CA 0.688 55.547 54.840 0.032 0.000 0.851 1326 L CB 0.044 42.126 42.059 0.039 0.000 0.959 1326 L HN 0.105 nan 8.230 nan 0.000 0.451 1327 D N 0.259 120.673 120.400 0.022 0.000 2.312 1327 D HA -0.104 4.536 4.640 -0.000 0.000 0.211 1327 D C 1.838 178.147 176.300 0.015 0.000 0.964 1327 D CA 0.842 54.854 54.000 0.019 0.000 0.877 1327 D CB 0.072 40.882 40.800 0.016 0.000 0.924 1327 D HN 0.264 nan 8.370 nan 0.000 0.515 1328 K N -0.139 120.268 120.400 0.012 0.000 2.459 1328 K HA 0.106 4.426 4.320 -0.000 0.000 0.193 1328 K C 0.558 177.163 176.600 0.007 0.000 1.030 1328 K CA 0.093 56.385 56.287 0.007 0.000 1.026 1328 K CB 0.523 33.025 32.500 0.003 0.000 0.809 1328 K HN 0.139 nan 8.250 nan 0.000 0.504 1329 L N 2.207 123.437 121.223 0.011 0.000 2.350 1329 L HA 0.221 4.561 4.340 -0.000 0.000 0.275 1329 L C -2.246 174.634 176.870 0.017 0.000 1.099 1329 L CA -2.375 52.472 54.840 0.011 0.000 0.808 1329 L CB 0.701 42.768 42.059 0.014 0.000 1.149 1329 L HN -0.241 nan 8.230 nan 0.000 0.442 1330 P HA -0.024 nan 4.420 nan 0.000 0.258 1330 P C -1.187 176.136 177.300 0.038 0.000 1.172 1330 P CA 0.615 63.729 63.100 0.024 0.000 0.762 1330 P CB 0.255 31.968 31.700 0.021 0.000 0.764 1331 K N 2.169 122.596 120.400 0.046 0.000 2.259 1331 K HA 0.720 5.039 4.320 -0.000 0.000 0.249 1331 K C -0.394 176.253 176.600 0.080 0.000 0.942 1331 K CA -1.025 55.306 56.287 0.073 0.000 0.816 1331 K CB 2.156 34.691 32.500 0.057 0.000 1.155 1331 K HN 0.318 nan 8.250 nan 0.000 0.428 1332 A N 1.148 124.049 122.820 0.135 0.000 2.331 1332 A HA 0.452 4.772 4.320 -0.000 0.000 0.283 1332 A C 0.963 178.566 177.584 0.032 0.000 1.142 1332 A CA -0.139 51.972 52.037 0.123 0.000 0.812 1332 A CB 0.745 19.870 19.000 0.209 0.000 1.074 1332 A HN 0.902 nan 8.150 nan 0.000 0.497 1333 A N 2.158 124.971 122.820 -0.011 0.000 2.067 1333 A HA 0.182 4.502 4.320 -0.000 0.000 0.219 1333 A C 0.327 177.617 177.584 -0.489 0.000 1.158 1333 A CA 1.162 53.051 52.037 -0.246 0.000 0.661 1333 A CB -0.309 18.507 19.000 -0.308 0.000 0.801 1333 A HN 0.752 nan 8.150 nan 0.000 0.452 1334 Y N -2.013 118.271 120.300 -0.026 0.000 2.524 1334 Y HA 0.595 5.145 4.550 -0.000 0.000 0.344 1334 Y C 0.137 175.961 175.900 -0.127 0.000 1.012 1334 Y CA -0.738 57.331 58.100 -0.052 0.000 1.068 1334 Y CB 1.967 40.414 38.460 -0.023 0.000 1.249 1334 Y HN -0.148 nan 8.280 nan 0.000 0.468 1335 T N 1.442 116.008 114.554 0.020 0.000 2.928 1335 T HA 0.529 4.879 4.350 -0.000 0.000 0.296 1335 T C -1.176 173.520 174.700 -0.006 0.000 1.000 1335 T CA -0.771 61.264 62.100 -0.107 0.000 0.989 1335 T CB 1.434 70.202 68.868 -0.166 0.000 1.005 1335 T HN 0.568 nan 8.240 nan 0.000 0.442 1336 S N 1.876 117.577 115.700 0.002 0.000 2.595 1336 S HA 0.874 5.344 4.470 -0.000 0.000 0.281 1336 S C -0.745 173.882 174.600 0.045 0.000 1.117 1336 S CA -0.558 57.661 58.200 0.032 0.000 0.873 1336 S CB 1.738 64.962 63.200 0.039 0.000 1.108 1336 S HN 0.905 nan 8.310 nan 0.000 0.477 1337 T N -0.026 114.558 114.554 0.049 0.000 2.893 1337 T HA 0.744 5.094 4.350 -0.000 0.000 0.291 1337 T C -1.006 173.727 174.700 0.054 0.000 1.028 1337 T CA -0.628 61.513 62.100 0.067 0.000 0.995 1337 T CB 1.165 70.077 68.868 0.073 0.000 1.051 1337 T HN 0.450 nan 8.240 nan 0.000 0.470 1338 V N 3.607 123.555 119.914 0.058 0.000 2.435 1338 V HA 0.706 4.826 4.120 -0.000 0.000 0.290 1338 V C 0.798 176.920 176.094 0.048 0.000 1.030 1338 V CA -0.563 61.762 62.300 0.042 0.000 0.881 1338 V CB 1.342 33.184 31.823 0.030 0.000 0.983 1338 V HN 1.268 nan 8.190 nan 0.000 0.445 1339 T N 1.547 116.122 114.554 0.035 0.000 2.926 1339 T HA 0.840 5.190 4.350 -0.000 0.000 0.289 1339 T C -0.157 174.555 174.700 0.021 0.000 1.054 1339 T CA -0.592 61.526 62.100 0.030 0.000 1.015 1339 T CB 1.945 70.826 68.868 0.023 0.000 1.167 1339 T HN 0.956 nan 8.240 nan 0.000 0.526 1340 A N 0.426 123.255 122.820 0.015 0.000 2.366 1340 A HA 0.681 5.001 4.320 -0.000 0.000 0.272 1340 A C 1.521 179.107 177.584 0.002 0.000 1.135 1340 A CA -0.251 51.790 52.037 0.006 0.000 0.804 1340 A CB -0.178 18.821 19.000 -0.002 0.000 1.064 1340 A HN 1.348 nan 8.150 nan 0.000 0.499 1341 A N 2.042 124.863 122.820 0.003 0.000 2.066 1341 A HA 0.469 4.789 4.320 -0.000 0.000 0.218 1341 A C 1.136 178.718 177.584 -0.003 0.000 1.157 1341 A CA 1.692 53.730 52.037 0.002 0.000 0.670 1341 A CB -0.295 18.708 19.000 0.005 0.000 0.804 1341 A HN 2.229 nan 8.150 nan 0.000 0.453 1342 A N -1.204 121.611 122.820 -0.008 0.000 2.586 1342 A HA 0.522 4.842 4.320 -0.000 0.000 0.290 1342 A C -1.651 175.914 177.584 -0.031 0.000 1.086 1342 A CA -0.332 51.696 52.037 -0.015 0.000 0.665 1342 A CB 0.299 19.294 19.000 -0.009 0.000 1.279 1342 A HN 0.076 nan 8.150 nan 0.000 0.423 1343 D N -0.491 119.883 120.400 -0.043 0.000 2.341 1343 D HA 0.604 5.244 4.640 -0.000 0.000 0.245 1343 D C 0.550 176.787 176.300 -0.104 0.000 1.106 1343 D CA 1.659 55.610 54.000 -0.081 0.000 0.905 1343 D CB 1.283 42.035 40.800 -0.081 0.000 1.202 1343 D HN 1.357 nan 8.370 nan 0.000 0.426 1344 G N 1.063 109.742 108.800 -0.202 0.000 2.367 1344 G HA2 0.249 4.209 3.960 -0.000 0.000 0.272 1344 G HA3 0.249 4.209 3.960 -0.000 0.000 0.272 1344 G C -1.950 172.690 174.900 -0.434 0.000 1.271 1344 G CA -0.810 44.142 45.100 -0.247 0.000 0.893 1344 G HN 0.362 nan 8.290 nan 0.000 0.485 1345 Y N -0.400 119.909 120.300 0.015 0.000 2.376 1345 Y HA 0.513 5.063 4.550 -0.000 0.000 0.340 1345 Y C 0.555 176.466 175.900 0.018 0.000 0.965 1345 Y CA -0.860 57.251 58.100 0.018 0.000 1.078 1345 Y CB 2.461 40.930 38.460 0.015 0.000 1.193 1345 Y HN 0.314 nan 8.280 nan 0.000 0.452 1346 V N 4.200 124.209 119.914 0.158 0.000 2.416 1346 V HA -0.003 4.117 4.120 -0.000 0.000 0.267 1346 V C 0.884 177.038 176.094 0.101 0.000 1.007 1346 V CA 0.830 63.191 62.300 0.102 0.000 1.102 1346 V CB -0.544 31.329 31.823 0.083 0.000 1.035 1346 V HN 1.097 nan 8.190 nan 0.000 0.473 1347 A N 4.497 127.367 122.820 0.083 0.000 1.831 1347 A HA 0.062 4.381 4.320 -0.000 0.000 0.213 1347 A C 1.173 178.781 177.584 0.041 0.000 1.223 1347 A CA 0.908 52.981 52.037 0.061 0.000 0.604 1347 A CB 0.038 19.070 19.000 0.053 0.000 0.878 1347 A HN 0.734 nan 8.150 nan 0.000 0.450 1348 E N -1.987 118.232 120.200 0.031 0.000 2.450 1348 E HA 0.717 5.067 4.350 -0.000 0.000 0.248 1348 E C -1.238 175.369 176.600 0.011 0.000 0.930 1348 E CA -0.815 55.596 56.400 0.018 0.000 0.854 1348 E CB 1.344 31.051 29.700 0.011 0.000 1.355 1348 E HN 0.312 nan 8.360 nan 0.000 0.402 1349 M N 1.182 120.780 119.600 -0.003 0.000 2.342 1349 M HA 0.312 4.792 4.480 -0.000 0.000 0.260 1349 M C -2.018 174.260 176.300 -0.037 0.000 1.023 1349 M CA -0.261 55.029 55.300 -0.016 0.000 0.919 1349 M CB 1.656 34.249 32.600 -0.011 0.000 2.048 1349 M HN 0.555 nan 8.290 nan 0.000 0.479 1350 A N 3.454 126.243 122.820 -0.052 0.000 2.990 1350 A HA 0.598 4.918 4.320 -0.000 0.000 0.282 1350 A C 1.133 178.650 177.584 -0.112 0.000 1.688 1350 A CA 0.486 52.475 52.037 -0.080 0.000 1.391 1350 A CB -0.435 18.516 19.000 -0.081 0.000 1.112 1350 A HN 1.071 nan 8.150 nan 0.000 0.588 1351 A N 1.921 124.675 122.820 -0.109 0.000 1.986 1351 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 1351 A C 1.784 179.250 177.584 -0.197 0.000 1.171 1351 A CA 1.987 53.950 52.037 -0.123 0.000 0.640 1351 A CB -0.376 18.568 19.000 -0.093 0.000 0.811 1351 A HN 0.770 nan 8.150 nan 0.000 0.451 1352 D N 0.269 120.483 120.400 -0.310 0.000 2.144 1352 D HA -0.165 4.474 4.640 -0.000 0.000 0.200 1352 D C 0.906 176.974 176.300 -0.387 0.000 0.978 1352 D CA 1.413 55.053 54.000 -0.600 0.000 0.833 1352 D CB -0.816 39.516 40.800 -0.782 0.000 0.961 1352 D HN 0.367 nan 8.370 nan 0.000 0.470 1353 D N 0.378 120.613 120.400 -0.275 0.000 2.178 1353 D HA -0.034 4.606 4.640 -0.000 0.000 0.202 1353 D C 2.268 178.415 176.300 -0.255 0.000 0.974 1353 D CA 0.434 54.279 54.000 -0.258 0.000 0.841 1353 D CB -0.127 40.556 40.800 -0.196 0.000 0.953 1353 D HN 0.354 nan 8.370 nan 0.000 0.478 1354 I N 0.548 121.006 120.570 -0.187 0.000 2.439 1354 I HA -0.085 4.085 4.170 -0.000 0.000 0.251 1354 I C 2.414 178.450 176.117 -0.134 0.000 1.139 1354 I CA 0.955 62.169 61.300 -0.144 0.000 1.438 1354 I CB -0.199 37.742 38.000 -0.098 0.000 1.085 1354 I HN -0.005 nan 8.210 nan 0.000 0.427 1355 G N 0.166 108.890 108.800 -0.127 0.000 2.408 1355 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 1355 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 1355 G C 1.648 176.496 174.900 -0.087 0.000 1.156 1355 G CA 0.964 46.029 45.100 -0.058 0.000 0.793 1355 G HN 0.241 nan 8.290 nan 0.000 0.535 1356 T N 1.736 116.176 114.554 -0.190 0.000 2.777 1356 T HA 0.046 4.395 4.350 -0.000 0.000 0.266 1356 T C 2.834 177.209 174.700 -0.541 0.000 1.040 1356 T CA 1.346 63.252 62.100 -0.323 0.000 1.141 1356 T CB -0.326 68.277 68.868 -0.442 0.000 0.868 1356 T HN 0.338 nan 8.240 nan 0.000 0.444 1357 A N 1.599 124.101 122.820 -0.529 0.000 1.908 1357 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 1357 A C 2.642 180.178 177.584 -0.080 0.000 1.181 1357 A CA 1.938 53.742 52.037 -0.388 0.000 0.627 1357 A CB -1.124 17.729 19.000 -0.245 0.000 0.818 1357 A HN 0.514 nan 8.150 nan 0.000 0.445 1358 A N -1.032 121.750 122.820 -0.062 0.000 1.933 1358 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 1358 A C 2.122 179.744 177.584 0.063 0.000 1.175 1358 A CA 1.928 53.975 52.037 0.016 0.000 0.628 1358 A CB -0.445 18.555 19.000 -0.001 0.000 0.814 1358 A HN 0.437 nan 8.150 nan 0.000 0.444 1359 M N -1.816 117.813 119.600 0.048 0.000 2.229 1359 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 1359 M C 1.819 178.270 176.300 0.251 0.000 1.063 1359 M CA 0.557 55.927 55.300 0.117 0.000 1.114 1359 M CB -1.358 31.301 32.600 0.098 0.000 1.387 1359 M HN 0.663 nan 8.290 nan 0.000 0.420 1360 W N 0.962 122.279 121.300 0.028 0.000 2.388 1360 W HA -0.038 4.622 4.660 -0.000 0.000 0.294 1360 W C 2.126 178.657 176.519 0.021 0.000 1.212 1360 W CA 0.684 58.042 57.345 0.022 0.000 1.271 1360 W CB -1.247 28.222 29.460 0.016 0.000 1.126 1360 W HN 0.194 nan 8.180 nan 0.000 0.535 1361 L N -0.173 121.204 121.223 0.257 0.000 2.456 1361 L HA 0.079 4.419 4.340 -0.000 0.000 0.224 1361 L C 1.845 178.787 176.870 0.121 0.000 1.148 1361 L CA 1.256 56.191 54.840 0.159 0.000 0.825 1361 L CB -0.888 41.252 42.059 0.136 0.000 0.937 1361 L HN 0.239 nan 8.230 nan 0.000 0.450 1362 G N -1.548 107.327 108.800 0.125 0.000 2.175 1362 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.182 1362 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.182 1362 G C 0.811 175.762 174.900 0.084 0.000 1.003 1362 G CA 0.085 45.242 45.100 0.094 0.000 0.666 1362 G HN 0.309 nan 8.290 nan 0.000 0.506 1363 A N -0.258 122.614 122.820 0.087 0.000 2.167 1363 A HA 0.638 4.957 4.320 -0.000 0.000 0.214 1363 A C 1.501 179.125 177.584 0.067 0.000 1.151 1363 A CA 2.013 54.090 52.037 0.067 0.000 0.735 1363 A CB -0.010 19.024 19.000 0.057 0.000 0.802 1363 A HN 1.835 nan 8.150 nan 0.000 0.467 1364 G N -1.138 107.712 108.800 0.082 0.000 2.733 1364 G HA2 0.559 4.519 3.960 -0.000 0.000 0.288 1364 G HA3 0.559 4.519 3.960 -0.000 0.000 0.288 1364 G C -0.790 174.160 174.900 0.084 0.000 1.373 1364 G CA -1.014 44.135 45.100 0.081 0.000 0.895 1364 G HN 0.281 nan 8.290 nan 0.000 0.479 1365 R N -0.486 120.059 120.500 0.075 0.000 2.457 1365 R HA 0.548 4.888 4.340 -0.000 0.000 0.284 1365 R C 0.761 177.103 176.300 0.071 0.000 1.024 1365 R CA -0.017 56.123 56.100 0.068 0.000 1.025 1365 R CB 1.769 32.105 30.300 0.061 0.000 1.063 1365 R HN 0.507 nan 8.270 nan 0.000 0.493 1366 A N 2.272 125.128 122.820 0.060 0.000 2.085 1366 A HA 0.135 4.455 4.320 -0.000 0.000 0.208 1366 A C 0.155 177.764 177.584 0.042 0.000 1.191 1366 A CA 0.693 52.763 52.037 0.055 0.000 0.799 1366 A CB 0.365 19.390 19.000 0.040 0.000 0.877 1366 A HN 0.568 nan 8.150 nan 0.000 0.473 1367 K N -1.446 118.978 120.400 0.039 0.000 2.466 1367 K HA 0.424 4.744 4.320 -0.000 0.000 0.260 1367 K C -0.161 176.464 176.600 0.042 0.000 1.011 1367 K CA -0.768 55.541 56.287 0.036 0.000 0.871 1367 K CB 1.750 34.268 32.500 0.030 0.000 1.404 1367 K HN -0.045 nan 8.250 nan 0.000 0.450 1368 K N 1.269 121.695 120.400 0.044 0.000 2.032 1368 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 1368 K C 1.010 177.637 176.600 0.045 0.000 1.048 1368 K CA 1.763 58.079 56.287 0.049 0.000 0.927 1368 K CB 0.071 32.603 32.500 0.053 0.000 0.712 1368 K HN 0.465 nan 8.250 nan 0.000 0.441 1369 E N 0.974 121.196 120.200 0.037 0.000 2.511 1369 E HA -0.038 4.311 4.350 -0.000 0.000 0.196 1369 E C -0.437 176.181 176.600 0.031 0.000 1.066 1369 E CA -0.109 56.310 56.400 0.032 0.000 0.871 1369 E CB 0.066 29.782 29.700 0.026 0.000 0.863 1369 E HN 0.265 nan 8.360 nan 0.000 0.520 1370 D N 0.684 121.105 120.400 0.035 0.000 2.449 1370 D HA -0.002 4.638 4.640 -0.000 0.000 0.236 1370 D C -0.516 175.806 176.300 0.035 0.000 1.149 1370 D CA 0.333 54.353 54.000 0.034 0.000 0.878 1370 D CB 1.081 41.905 40.800 0.040 0.000 1.198 1370 D HN -0.218 nan 8.370 nan 0.000 0.446 1371 V N 3.560 123.493 119.914 0.032 0.000 2.398 1371 V HA 0.341 4.461 4.120 -0.000 0.000 0.286 1371 V C 0.478 176.594 176.094 0.037 0.000 1.026 1371 V CA -0.756 61.562 62.300 0.032 0.000 0.868 1371 V CB 1.067 32.906 31.823 0.026 0.000 0.982 1371 V HN 0.371 nan 8.190 nan 0.000 0.443 1372 I N 0.946 121.540 120.570 0.039 0.000 2.918 1372 I HA 0.676 4.846 4.170 -0.000 0.000 0.316 1372 I C -0.388 175.754 176.117 0.042 0.000 1.001 1372 I CA -0.532 60.794 61.300 0.045 0.000 1.142 1372 I CB 1.399 39.428 38.000 0.049 0.000 1.356 1372 I HN 0.524 nan 8.210 nan 0.000 0.524 1373 D N 2.419 122.848 120.400 0.048 0.000 2.414 1373 D HA 0.380 5.020 4.640 -0.000 0.000 0.232 1373 D C 0.570 176.898 176.300 0.047 0.000 1.070 1373 D CA -0.468 53.561 54.000 0.049 0.000 0.839 1373 D CB 1.199 42.035 40.800 0.061 0.000 1.079 1373 D HN 0.594 nan 8.370 nan 0.000 0.521 1374 L N 2.771 124.017 121.223 0.037 0.000 2.552 1374 L HA 0.110 4.450 4.340 -0.000 0.000 0.227 1374 L C 1.911 178.799 176.870 0.030 0.000 1.146 1374 L CA 0.349 55.206 54.840 0.028 0.000 0.858 1374 L CB -0.111 41.958 42.059 0.017 0.000 0.969 1374 L HN 0.457 nan 8.230 nan 0.000 0.451 1375 A N -0.195 122.653 122.820 0.045 0.000 2.095 1375 A HA 0.167 4.487 4.320 -0.000 0.000 0.212 1375 A C 1.077 178.708 177.584 0.078 0.000 1.162 1375 A CA 0.186 52.257 52.037 0.057 0.000 0.753 1375 A CB -0.105 18.936 19.000 0.070 0.000 0.840 1375 A HN 0.136 nan 8.150 nan 0.000 0.468 1376 V N -3.008 116.958 119.914 0.086 0.000 3.083 1376 V HA 0.821 4.941 4.120 -0.000 0.000 0.306 1376 V C 0.414 176.552 176.094 0.073 0.000 1.077 1376 V CA 0.078 62.446 62.300 0.114 0.000 1.073 1376 V CB 0.710 32.602 31.823 0.115 0.000 1.081 1376 V HN 1.150 nan 8.190 nan 0.000 0.474 1377 G N 1.702 110.557 108.800 0.092 0.000 2.344 1377 G HA2 0.403 4.363 3.960 -0.000 0.000 0.282 1377 G HA3 0.403 4.363 3.960 -0.000 0.000 0.282 1377 G C -1.616 173.319 174.900 0.059 0.000 1.281 1377 G CA -0.450 44.674 45.100 0.041 0.000 0.877 1377 G HN 0.964 nan 8.290 nan 0.000 0.494 1378 I N -0.427 120.149 120.570 0.010 0.000 2.769 1378 I HA 0.600 4.770 4.170 -0.000 0.000 0.298 1378 I C -0.794 175.305 176.117 -0.030 0.000 1.128 1378 I CA -1.216 60.094 61.300 0.016 0.000 1.031 1378 I CB 2.575 40.573 38.000 -0.003 0.000 1.235 1378 I HN 0.298 nan 8.210 nan 0.000 0.423 1379 V N 5.841 125.727 119.914 -0.045 0.000 2.419 1379 V HA 0.368 4.488 4.120 -0.000 0.000 0.287 1379 V C 0.114 176.038 176.094 -0.283 0.000 1.017 1379 V CA -0.491 61.755 62.300 -0.092 0.000 0.844 1379 V CB 1.525 33.324 31.823 -0.039 0.000 1.011 1379 V HN 0.479 nan 8.190 nan 0.000 0.429 1380 L N 3.728 124.864 121.223 -0.146 0.000 2.464 1380 L HA 0.379 4.719 4.340 -0.000 0.000 0.264 1380 L C 0.932 177.640 176.870 -0.270 0.000 1.199 1380 L CA 0.131 54.868 54.840 -0.172 0.000 0.818 1380 L CB 0.356 42.446 42.059 0.052 0.000 1.102 1380 L HN 0.761 nan 8.230 nan 0.000 0.473 1381 H N -0.999 118.087 119.070 0.028 0.000 3.643 1381 H HA 0.281 4.837 4.556 -0.000 0.000 0.256 1381 H C -0.513 174.812 175.328 -0.005 0.000 1.107 1381 H CA -0.254 55.741 56.048 -0.089 0.000 1.175 1381 H CB 0.921 30.639 29.762 -0.074 0.000 1.519 1381 H HN 0.396 nan 8.280 nan 0.000 0.565 1382 K N 1.050 121.546 120.400 0.158 0.000 2.422 1382 K HA 0.422 4.742 4.320 -0.000 0.000 0.251 1382 K C -0.691 175.995 176.600 0.144 0.000 0.933 1382 K CA -0.947 55.425 56.287 0.143 0.000 0.798 1382 K CB 2.695 35.253 32.500 0.098 0.000 1.238 1382 K HN -0.155 nan 8.250 nan 0.000 0.428 1383 K N 1.291 121.780 120.400 0.148 0.000 2.349 1383 K HA 0.488 4.808 4.320 -0.000 0.000 0.243 1383 K C 0.019 176.676 176.600 0.095 0.000 1.058 1383 K CA -0.944 55.410 56.287 0.112 0.000 0.871 1383 K CB 1.232 33.801 32.500 0.115 0.000 1.337 1383 K HN 0.528 nan 8.250 nan 0.000 0.469 1384 I N 1.391 122.004 120.570 0.072 0.000 2.741 1384 I HA -0.058 4.112 4.170 -0.000 0.000 0.288 1384 I C 1.397 177.564 176.117 0.084 0.000 1.192 1384 I CA 1.473 62.815 61.300 0.070 0.000 1.426 1384 I CB -0.154 37.876 38.000 0.049 0.000 1.367 1384 I HN 0.991 nan 8.210 nan 0.000 0.563 1385 G N 4.404 113.264 108.800 0.100 0.000 2.397 1385 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.211 1385 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.211 1385 G C 0.042 175.048 174.900 0.178 0.000 1.077 1385 G CA -0.471 44.692 45.100 0.106 0.000 0.649 1385 G HN 0.559 nan 8.290 nan 0.000 0.511 1386 D N 1.313 121.806 120.400 0.156 0.000 2.478 1386 D HA 0.370 5.010 4.640 -0.000 0.000 0.234 1386 D C 0.860 177.256 176.300 0.160 0.000 1.154 1386 D CA 0.251 54.341 54.000 0.150 0.000 0.874 1386 D CB 0.544 41.413 40.800 0.115 0.000 1.198 1386 D HN 0.503 nan 8.370 nan 0.000 0.455 1387 R N 1.174 121.729 120.500 0.090 0.000 2.349 1387 R HA 0.483 4.823 4.340 -0.000 0.000 0.299 1387 R C -0.775 175.448 176.300 -0.128 0.000 1.027 1387 R CA -0.649 55.362 56.100 -0.150 0.000 0.958 1387 R CB 0.784 30.966 30.300 -0.195 0.000 1.047 1387 R HN 0.336 nan 8.270 nan 0.000 0.468 1388 V N 0.432 120.233 119.914 -0.188 0.000 3.040 1388 V HA 0.573 4.693 4.120 -0.000 0.000 0.312 1388 V C -1.013 175.009 176.094 -0.119 0.000 1.115 1388 V CA -1.035 61.202 62.300 -0.104 0.000 0.998 1388 V CB 2.129 33.921 31.823 -0.051 0.000 1.042 1388 V HN 0.788 nan 8.190 nan 0.000 0.433 1389 Q N 0.651 120.407 119.800 -0.073 0.000 2.399 1389 Q HA 0.466 4.806 4.340 -0.000 0.000 0.276 1389 Q C -0.947 175.030 176.000 -0.038 0.000 1.098 1389 Q CA -0.960 54.806 55.803 -0.062 0.000 0.827 1389 Q CB 2.761 31.468 28.738 -0.051 0.000 1.386 1389 Q HN 0.807 nan 8.270 nan 0.000 0.443 1390 K N 0.047 120.428 120.400 -0.032 0.000 2.484 1390 K HA 0.084 4.404 4.320 -0.000 0.000 0.280 1390 K C 0.634 177.225 176.600 -0.014 0.000 1.013 1390 K CA 1.427 57.702 56.287 -0.019 0.000 1.029 1390 K CB -0.163 32.327 32.500 -0.016 0.000 0.902 1390 K HN 0.835 nan 8.250 nan 0.000 0.481 1391 G N 2.606 111.402 108.800 -0.007 0.000 2.217 1391 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.246 1391 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.246 1391 G C -0.320 174.579 174.900 -0.002 0.000 0.990 1391 G CA -0.024 45.074 45.100 -0.003 0.000 0.627 1391 G HN 0.645 nan 8.290 nan 0.000 0.522 1392 E N 0.831 121.028 120.200 -0.004 0.000 2.354 1392 E HA 0.543 4.893 4.350 -0.000 0.000 0.269 1392 E C 0.690 177.302 176.600 0.020 0.000 1.036 1392 E CA 0.414 56.813 56.400 -0.002 0.000 0.876 1392 E CB 1.173 30.867 29.700 -0.010 0.000 1.009 1392 E HN 0.828 nan 8.360 nan 0.000 0.416 1393 A N 3.898 126.738 122.820 0.032 0.000 2.404 1393 A HA 0.190 4.510 4.320 -0.000 0.000 0.273 1393 A C 1.035 178.715 177.584 0.161 0.000 1.144 1393 A CA -0.177 51.916 52.037 0.093 0.000 0.806 1393 A CB -0.041 19.020 19.000 0.101 0.000 1.080 1393 A HN 0.678 nan 8.150 nan 0.000 0.509 1394 L N 1.446 122.746 121.223 0.127 0.000 2.354 1394 L HA 0.341 4.681 4.340 -0.000 0.000 0.212 1394 L C 1.131 178.025 176.870 0.040 0.000 1.091 1394 L CA 1.028 55.925 54.840 0.095 0.000 0.828 1394 L CB -0.237 41.849 42.059 0.045 0.000 0.973 1394 L HN 0.812 nan 8.230 nan 0.000 0.461 1395 A N -1.211 121.624 122.820 0.025 0.000 2.581 1395 A HA 0.716 5.036 4.320 -0.000 0.000 0.290 1395 A C -0.990 176.573 177.584 -0.034 0.000 1.119 1395 A CA -0.359 51.554 52.037 -0.206 0.000 0.670 1395 A CB 1.442 20.373 19.000 -0.114 0.000 1.280 1395 A HN -0.139 nan 8.150 nan 0.000 0.425 1396 T N 1.215 115.733 114.554 -0.060 0.000 2.937 1396 T HA 0.518 4.868 4.350 -0.000 0.000 0.297 1396 T C -0.624 174.166 174.700 0.151 0.000 0.991 1396 T CA -0.052 62.123 62.100 0.125 0.000 0.990 1396 T CB 0.489 69.519 68.868 0.269 0.000 0.991 1396 T HN 0.472 nan 8.240 nan 0.000 0.440 1397 I N 3.158 123.799 120.570 0.118 0.000 2.428 1397 I HA 0.305 4.475 4.170 -0.000 0.000 0.289 1397 I C -0.139 176.057 176.117 0.131 0.000 1.019 1397 I CA -0.548 60.834 61.300 0.138 0.000 1.351 1397 I CB 0.669 38.721 38.000 0.086 0.000 1.412 1397 I HN 0.591 nan 8.210 nan 0.000 0.513 1398 H N 3.700 122.811 119.070 0.067 0.000 2.685 1398 H HA 0.423 4.979 4.556 -0.000 0.000 0.307 1398 H C -0.574 174.813 175.328 0.098 0.000 1.017 1398 H CA -0.420 55.677 56.048 0.082 0.000 1.237 1398 H CB 1.187 30.987 29.762 0.063 0.000 1.409 1398 H HN 0.585 nan 8.280 nan 0.000 0.488 1399 S N 1.400 117.209 115.700 0.182 0.000 2.634 1399 S HA 0.239 4.708 4.470 -0.000 0.000 0.296 1399 S C 0.604 175.357 174.600 0.255 0.000 1.104 1399 S CA -1.090 57.214 58.200 0.174 0.000 0.920 1399 S CB 1.557 64.814 63.200 0.094 0.000 1.111 1399 S HN 0.825 nan 8.310 nan 0.000 0.493 1400 N N -0.187 118.627 118.700 0.191 0.000 2.230 1400 N HA 0.198 4.938 4.740 -0.000 0.000 0.202 1400 N C -0.183 175.435 175.510 0.179 0.000 1.119 1400 N CA -0.719 52.471 53.050 0.235 0.000 0.851 1400 N CB 0.297 38.868 38.487 0.140 0.000 0.990 1400 N HN 0.365 nan 8.380 nan 0.000 0.497 1401 R N -0.061 120.410 120.500 -0.049 0.000 2.651 1401 R HA 0.269 4.609 4.340 -0.000 0.000 0.278 1401 R C -2.282 173.558 176.300 -0.766 0.000 1.010 1401 R CA -1.742 54.146 56.100 -0.353 0.000 0.896 1401 R CB 1.999 32.204 30.300 -0.159 0.000 1.211 1401 R HN -0.110 nan 8.270 nan 0.000 0.456 1402 P HA -0.139 nan 4.420 nan 0.000 0.217 1402 P C -0.477 176.633 177.300 -0.317 0.000 1.151 1402 P CA 1.141 63.766 63.100 -0.792 0.000 0.828 1402 P CB 0.087 31.487 31.700 -0.500 0.000 0.788 1403 D N 0.635 120.898 120.400 -0.228 0.000 2.336 1403 D HA 0.098 4.738 4.640 -0.000 0.000 0.249 1403 D C 0.411 176.661 176.300 -0.083 0.000 1.213 1403 D CA -0.469 53.459 54.000 -0.119 0.000 0.870 1403 D CB 1.141 41.885 40.800 -0.094 0.000 1.076 1403 D HN 0.093 nan 8.370 nan 0.000 0.483 1404 V N -0.185 119.704 119.914 -0.043 0.000 3.047 1404 V HA 0.118 4.238 4.120 -0.000 0.000 0.374 1404 V C 1.311 177.424 176.094 0.032 0.000 1.399 1404 V CA -0.493 61.809 62.300 0.003 0.000 1.251 1404 V CB -0.620 31.212 31.823 0.016 0.000 1.228 1404 V HN 0.441 nan 8.190 nan 0.000 0.589 1405 L N -0.806 120.429 121.223 0.018 0.000 2.191 1405 L HA -0.022 4.318 4.340 -0.000 0.000 0.212 1405 L C 2.361 179.269 176.870 0.063 0.000 1.103 1405 L CA 1.803 56.661 54.840 0.031 0.000 0.769 1405 L CB -0.450 41.618 42.059 0.015 0.000 0.908 1405 L HN 0.409 nan 8.230 nan 0.000 0.438 1406 D N -0.059 120.387 120.400 0.077 0.000 2.097 1406 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 1406 D C 2.304 178.768 176.300 0.275 0.000 0.984 1406 D CA 1.295 55.383 54.000 0.148 0.000 0.826 1406 D CB 0.100 40.942 40.800 0.069 0.000 0.973 1406 D HN 0.154 nan 8.370 nan 0.000 0.460 1407 V N 1.189 121.254 119.914 0.252 0.000 2.358 1407 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 1407 V C 2.457 178.616 176.094 0.109 0.000 1.047 1407 V CA 1.383 63.818 62.300 0.225 0.000 1.035 1407 V CB -0.382 31.557 31.823 0.193 0.000 0.658 1407 V HN 0.109 nan 8.190 nan 0.000 0.452 1408 K N -0.028 120.424 120.400 0.087 0.000 2.209 1408 K HA -0.238 4.082 4.320 -0.000 0.000 0.204 1408 K C 2.120 178.748 176.600 0.047 0.000 1.048 1408 K CA 1.816 58.136 56.287 0.055 0.000 0.940 1408 K CB -0.011 32.517 32.500 0.046 0.000 0.729 1408 K HN 0.609 nan 8.250 nan 0.000 0.451 1409 E N 0.125 120.363 120.200 0.064 0.000 2.190 1409 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 1409 E C 1.786 178.411 176.600 0.042 0.000 0.978 1409 E CA 0.418 56.850 56.400 0.053 0.000 0.839 1409 E CB 0.202 29.941 29.700 0.066 0.000 0.787 1409 E HN 0.152 nan 8.360 nan 0.000 0.473 1410 K N 0.611 121.040 120.400 0.047 0.000 2.057 1410 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 1410 K C 2.117 178.685 176.600 -0.053 0.000 1.050 1410 K CA 1.171 57.446 56.287 -0.020 0.000 0.935 1410 K CB -0.021 32.412 32.500 -0.113 0.000 0.715 1410 K HN 0.162 nan 8.250 nan 0.000 0.439 1411 I N 0.933 121.479 120.570 -0.039 0.000 2.179 1411 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 1411 I C 2.589 178.693 176.117 -0.022 0.000 1.088 1411 I CA 1.102 62.378 61.300 -0.040 0.000 1.357 1411 I CB -0.307 37.679 38.000 -0.023 0.000 1.051 1411 I HN 0.277 nan 8.210 nan 0.000 0.409 1412 E N 1.343 121.541 120.200 -0.004 0.000 2.110 1412 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 1412 E C 2.209 178.809 176.600 -0.000 0.000 0.988 1412 E CA 1.555 57.958 56.400 0.003 0.000 0.804 1412 E CB 0.060 29.768 29.700 0.013 0.000 0.745 1412 E HN 0.490 nan 8.360 nan 0.000 0.458 1413 A N 0.687 123.505 122.820 -0.004 0.000 2.014 1413 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 1413 A C 2.296 179.870 177.584 -0.017 0.000 1.163 1413 A CA 1.401 53.435 52.037 -0.006 0.000 0.652 1413 A CB -0.296 18.702 19.000 -0.003 0.000 0.808 1413 A HN 0.302 nan 8.150 nan 0.000 0.449 1414 A N -0.268 122.533 122.820 -0.032 0.000 1.968 1414 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 1414 A C 0.994 178.562 177.584 -0.026 0.000 1.169 1414 A CA 0.498 52.510 52.037 -0.042 0.000 0.638 1414 A CB -0.338 18.621 19.000 -0.069 0.000 0.812 1414 A HN 0.429 nan 8.150 nan 0.000 0.446 1415 I N 0.944 121.505 120.570 -0.015 0.000 2.281 1415 I HA 0.189 4.359 4.170 -0.000 0.000 0.293 1415 I C 0.544 176.665 176.117 0.007 0.000 1.085 1415 I CA -0.287 61.012 61.300 -0.002 0.000 1.257 1415 I CB 0.466 38.468 38.000 0.003 0.000 1.430 1415 I HN 0.224 nan 8.210 nan 0.000 0.489 1416 R N 6.764 127.271 120.500 0.011 0.000 2.490 1416 R HA 0.661 5.001 4.340 -0.000 0.000 0.278 1416 R C -1.043 175.275 176.300 0.031 0.000 1.069 1416 R CA -0.365 55.746 56.100 0.018 0.000 1.080 1416 R CB 0.898 31.208 30.300 0.017 0.000 1.030 1416 R HN 0.576 nan 8.270 nan 0.000 0.491 1417 L N 1.185 122.428 121.223 0.033 0.000 2.301 1417 L HA 0.567 4.907 4.340 -0.000 0.000 0.264 1417 L C -0.315 176.591 176.870 0.061 0.000 1.016 1417 L CA -0.870 53.998 54.840 0.046 0.000 0.821 1417 L CB 2.081 44.155 42.059 0.026 0.000 1.346 1417 L HN 0.645 nan 8.230 nan 0.000 0.429 1418 S N -0.277 115.482 115.700 0.098 0.000 2.588 1418 S HA 0.559 5.029 4.470 -0.000 0.000 0.275 1418 S C -2.423 172.284 174.600 0.179 0.000 1.130 1418 S CA -1.117 57.152 58.200 0.116 0.000 0.855 1418 S CB 2.145 65.412 63.200 0.110 0.000 1.116 1418 S HN 0.314 nan 8.310 nan 0.000 0.472 1419 P HA 0.131 nan 4.420 nan 0.000 0.217 1419 P C -0.425 177.039 177.300 0.274 0.000 1.154 1419 P CA 0.834 64.034 63.100 0.167 0.000 0.841 1419 P CB 0.144 31.899 31.700 0.092 0.000 0.788 1420 Q N -0.307 119.581 119.800 0.148 0.000 2.260 1420 Q HA 0.336 4.676 4.340 -0.000 0.000 0.238 1420 Q C -2.302 173.529 176.000 -0.281 0.000 0.948 1420 Q CA -2.064 53.735 55.803 -0.007 0.000 0.895 1420 Q CB -0.744 27.973 28.738 -0.035 0.000 1.218 1420 Q HN 0.011 nan 8.270 nan 0.000 0.470 1421 P HA 0.047 nan 4.420 nan 0.000 0.269 1421 P C -1.297 175.768 177.300 -0.390 0.000 1.215 1421 P CA -0.168 62.347 63.100 -0.974 0.000 0.780 1421 P CB 0.620 31.921 31.700 -0.664 0.000 0.898 1422 V N 1.461 121.216 119.914 -0.265 0.000 2.760 1422 V HA 0.716 4.836 4.120 -0.000 0.000 0.309 1422 V C -0.784 175.274 176.094 -0.059 0.000 1.077 1422 V CA -0.959 61.282 62.300 -0.099 0.000 0.910 1422 V CB 1.757 33.568 31.823 -0.020 0.000 1.008 1422 V HN 0.675 nan 8.190 nan 0.000 0.424 1423 A N 6.932 129.727 122.820 -0.041 0.000 2.388 1423 A HA 0.624 4.944 4.320 -0.000 0.000 0.257 1423 A C 0.313 177.895 177.584 -0.003 0.000 1.095 1423 A CA -0.482 51.539 52.037 -0.025 0.000 0.791 1423 A CB 0.261 19.244 19.000 -0.028 0.000 1.029 1423 A HN 0.843 nan 8.150 nan 0.000 0.489 1424 R N 2.596 123.099 120.500 0.004 0.000 2.401 1424 R HA 0.234 4.574 4.340 -0.000 0.000 0.299 1424 R C -2.276 174.028 176.300 0.006 0.000 1.064 1424 R CA -1.086 55.027 56.100 0.021 0.000 1.000 1424 R CB -0.146 30.175 30.300 0.035 0.000 0.973 1424 R HN 0.590 nan 8.270 nan 0.000 0.438 1425 P HA 0.176 nan 4.420 nan 0.000 0.271 1425 P C -2.476 174.797 177.300 -0.045 0.000 1.218 1425 P CA -1.268 61.833 63.100 0.001 0.000 0.780 1425 P CB -0.094 31.633 31.700 0.045 0.000 0.901 1426 P HA 0.082 nan 4.420 nan 0.000 0.271 1426 P C 0.877 178.031 177.300 -0.243 0.000 1.220 1426 P CA -0.331 62.626 63.100 -0.239 0.000 0.768 1426 P CB 0.380 31.829 31.700 -0.417 0.000 0.848 1427 L N 4.315 125.462 121.223 -0.127 0.000 2.093 1427 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 1427 L C 0.542 177.391 176.870 -0.036 0.000 1.085 1427 L CA 1.866 56.673 54.840 -0.055 0.000 0.755 1427 L CB -0.068 41.974 42.059 -0.028 0.000 0.904 1427 L HN 0.261 nan 8.230 nan 0.000 0.435 1428 I N -1.227 119.283 120.570 -0.100 0.000 2.433 1428 I HA 0.131 4.301 4.170 -0.000 0.000 0.292 1428 I C 0.103 176.147 176.117 -0.122 0.000 1.001 1428 I CA -0.440 60.847 61.300 -0.021 0.000 1.119 1428 I CB 1.269 39.275 38.000 0.009 0.000 1.289 1428 I HN 0.035 nan 8.210 nan 0.000 0.438 1429 Y N 3.248 123.552 120.300 0.008 0.000 2.382 1429 Y HA 0.242 4.792 4.550 -0.000 0.000 0.292 1429 Y C 0.847 176.752 175.900 0.009 0.000 1.151 1429 Y CA 0.318 58.421 58.100 0.006 0.000 1.198 1429 Y CB 0.644 39.106 38.460 0.003 0.000 1.195 1429 Y HN 0.503 nan 8.280 nan 0.000 0.530 1430 E N -1.426 118.884 120.200 0.183 0.000 2.460 1430 E HA 0.496 4.846 4.350 -0.000 0.000 0.277 1430 E C -1.375 175.266 176.600 0.068 0.000 1.010 1430 E CA -0.847 55.614 56.400 0.101 0.000 0.838 1430 E CB 2.398 32.149 29.700 0.085 0.000 1.448 1430 E HN -0.246 nan 8.360 nan 0.000 0.462 1431 T N 1.028 115.609 114.554 0.044 0.000 2.991 1431 T HA 0.485 4.835 4.350 -0.000 0.000 0.303 1431 T C -1.082 173.621 174.700 0.005 0.000 1.015 1431 T CA -0.533 61.575 62.100 0.014 0.000 1.007 1431 T CB 0.684 69.572 68.868 0.033 0.000 1.034 1431 T HN 0.181 nan 8.240 nan 0.000 0.446 1432 I N 3.921 124.481 120.570 -0.016 0.000 2.378 1432 I HA 0.561 4.731 4.170 -0.000 0.000 0.291 1432 I C 0.264 176.368 176.117 -0.021 0.000 0.992 1432 I CA -0.615 60.679 61.300 -0.010 0.000 1.154 1432 I CB 1.589 39.584 38.000 -0.008 0.000 1.315 1432 I HN 0.537 nan 8.210 nan 0.000 0.448 1433 V N 0.000 119.910 119.914 -0.007 0.000 2.409 1433 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1433 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 1433 V CB 0.000 31.831 31.823 0.014 0.000 1.184 1433 V HN 0.000 nan 8.190 nan 0.000 0.556