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 2fuv_1_B DATA FIRST_RESID 2 DATA SEQUENCE AIHNRAGQPA QQSDLINVAQ LTAQYYVLKP EAGNAEHAVK FGTSGHRGSA DATA SEQUENCE GRHSFNEPHI LAIAQAIAEE RAKNGITGPC YVGKDTHALS EPAFISVLEV DATA SEQUENCE LAANGVDVIV QENNGFTPTP AVSNAILVHN KKGGPLADGI VITPSHNPPE DATA SEQUENCE DGGIKYNPPN GGPADTNVTK VVEDRANALL AGGLQGVKRI SLDAAXASGH DATA SEQUENCE VKAVDLVQPF VEGLADIVDX AAIQKAGLTL GVDPLGGSGI EYWKRIAEHY DATA SEQUENCE KLNLTLVNDQ VDQTFRFXHL DKDGAIRXDC SSECAXAGLL ALRDKFDLAF DATA SEQUENCE ANDPDYDRHG IVTPAGLXNP NHYLAVAINY LFQHRPLWGK DVAVGKTLVS DATA SEQUENCE SAXIDRVVND LGRKLVEVPV GFKWFVDGLF DGSFGFGGEE SAGASFLRFD DATA SEQUENCE GTPWSTDKDG IIXCLLAAEI TAVTGKNPQE HYNELAARFG APSYNRLQAS DATA SEQUENCE ATSAQKAALS KLSPEXVSAS TLAGDPITAR LTAAPGNGAS IGGLKVXTDN DATA SEQUENCE GWFAARPSGT EDAYKIYCES FLGEEHRKQI EKEAVEIVSE VLKNA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.595 177.584 0.018 0.000 1.274 2 A CA 0.000 52.044 52.037 0.012 0.000 0.836 2 A CB 0.000 19.007 19.000 0.012 0.000 0.831 3 I N -0.785 119.806 120.570 0.034 0.000 3.443 3 I HA 0.346 4.515 4.170 -0.001 0.000 0.277 3 I C 0.896 177.043 176.117 0.049 0.000 1.169 3 I CA 0.090 61.409 61.300 0.031 0.000 1.419 3 I CB -0.365 37.651 38.000 0.025 0.000 1.331 3 I HN 0.706 nan 8.210 nan 0.000 0.458 4 H N 3.415 122.475 119.070 -0.018 0.000 2.815 4 H HA 0.074 4.629 4.556 -0.001 0.000 0.350 4 H C 0.320 175.641 175.328 -0.012 0.000 1.080 4 H CA 1.030 57.068 56.048 -0.016 0.000 1.433 4 H CB 0.970 30.721 29.762 -0.020 0.000 1.432 4 H HN 0.507 nan 8.280 nan 0.000 0.592 5 N N 2.971 121.489 118.700 -0.303 0.000 2.550 5 N HA -0.054 4.685 4.740 -0.001 0.000 0.186 5 N C 0.828 176.344 175.510 0.010 0.000 1.110 5 N CA 0.614 53.584 53.050 -0.134 0.000 0.912 5 N CB 0.264 38.640 38.487 -0.185 0.000 0.968 5 N HN 0.479 nan 8.380 nan 0.000 0.448 6 R N -0.120 120.521 120.500 0.235 0.000 2.508 6 R HA 0.330 4.670 4.340 -0.001 0.000 0.300 6 R C -0.205 176.211 176.300 0.193 0.000 0.970 6 R CA -0.270 55.969 56.100 0.232 0.000 1.102 6 R CB 0.669 31.112 30.300 0.238 0.000 1.246 6 R HN 0.160 nan 8.270 nan 0.000 0.539 7 A N 0.814 123.761 122.820 0.212 0.000 2.598 7 A HA 0.276 4.596 4.320 -0.001 0.000 0.239 7 A C 1.354 178.980 177.584 0.070 0.000 1.032 7 A CA 1.347 53.438 52.037 0.090 0.000 0.760 7 A CB -0.364 18.683 19.000 0.079 0.000 0.946 7 A HN 0.597 nan 8.150 nan 0.000 0.512 8 G N 1.355 110.193 108.800 0.064 0.000 2.179 8 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.260 8 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.260 8 G C 0.242 175.263 174.900 0.201 0.000 0.977 8 G CA 0.725 45.884 45.100 0.097 0.000 0.641 8 G HN 0.983 nan 8.290 nan 0.000 0.533 9 Q N 0.771 120.652 119.800 0.134 0.000 2.227 9 Q HA 0.452 4.791 4.340 -0.001 0.000 0.245 9 Q C -2.376 173.580 176.000 -0.073 0.000 0.926 9 Q CA -2.050 53.808 55.803 0.091 0.000 0.895 9 Q CB 1.366 30.131 28.738 0.044 0.000 1.230 9 Q HN 0.142 nan 8.270 nan 0.000 0.450 10 P HA -0.068 nan 4.420 nan 0.000 0.266 10 P C -1.089 176.085 177.300 -0.209 0.000 1.195 10 P CA 0.189 63.016 63.100 -0.455 0.000 0.768 10 P CB 0.320 31.827 31.700 -0.323 0.000 0.838 11 A N 3.722 126.424 122.820 -0.196 0.000 2.531 11 A HA 0.110 4.430 4.320 -0.001 0.000 0.236 11 A C 0.512 178.042 177.584 -0.090 0.000 1.062 11 A CA 0.150 52.113 52.037 -0.123 0.000 0.760 11 A CB -0.248 18.674 19.000 -0.130 0.000 0.995 11 A HN 0.454 nan 8.150 nan 0.000 0.501 12 Q N 0.369 120.133 119.800 -0.059 0.000 2.180 12 Q HA 0.197 4.536 4.340 -0.001 0.000 0.241 12 Q C 0.823 176.804 176.000 -0.032 0.000 0.970 12 Q CA -0.736 55.044 55.803 -0.038 0.000 0.919 12 Q CB 0.909 29.634 28.738 -0.021 0.000 1.222 12 Q HN 0.879 nan 8.270 nan 0.000 0.482 13 Q N 0.872 120.660 119.800 -0.021 0.000 2.124 13 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 13 Q C 1.611 177.605 176.000 -0.011 0.000 0.977 13 Q CA 2.326 58.121 55.803 -0.014 0.000 0.850 13 Q CB -0.227 28.506 28.738 -0.007 0.000 0.901 13 Q HN 0.735 nan 8.270 nan 0.000 0.429 14 S N -0.377 115.318 115.700 -0.008 0.000 2.469 14 S HA -0.119 4.350 4.470 -0.001 0.000 0.238 14 S C 1.117 175.711 174.600 -0.009 0.000 0.998 14 S CA 1.140 59.338 58.200 -0.004 0.000 0.957 14 S CB -0.220 62.981 63.200 0.002 0.000 0.764 14 S HN 0.383 nan 8.310 nan 0.000 0.514 15 D N 1.365 121.753 120.400 -0.020 0.000 2.347 15 D HA 0.180 4.819 4.640 -0.001 0.000 0.215 15 D C 0.515 176.796 176.300 -0.031 0.000 0.976 15 D CA 0.338 54.318 54.000 -0.034 0.000 0.884 15 D CB -0.033 40.734 40.800 -0.055 0.000 0.915 15 D HN 0.453 nan 8.370 nan 0.000 0.526 16 L N 1.412 122.622 121.223 -0.021 0.000 2.379 16 L HA 0.369 4.708 4.340 -0.001 0.000 0.269 16 L C 0.824 177.695 176.870 0.001 0.000 1.084 16 L CA -1.050 53.782 54.840 -0.013 0.000 0.802 16 L CB 1.250 43.302 42.059 -0.013 0.000 1.175 16 L HN -0.127 nan 8.230 nan 0.000 0.448 17 I N -1.125 119.452 120.570 0.012 0.000 2.886 17 I HA 0.266 4.435 4.170 -0.001 0.000 0.299 17 I C 0.211 176.344 176.117 0.026 0.000 1.044 17 I CA -0.369 60.944 61.300 0.022 0.000 1.310 17 I CB 0.556 38.577 38.000 0.035 0.000 1.441 17 I HN 0.532 nan 8.210 nan 0.000 0.578 18 N N 3.410 122.128 118.700 0.031 0.000 2.469 18 N HA 0.174 4.913 4.740 -0.001 0.000 0.239 18 N C 0.590 176.127 175.510 0.045 0.000 1.053 18 N CA -0.244 52.826 53.050 0.034 0.000 0.937 18 N CB 1.389 39.896 38.487 0.032 0.000 1.163 18 N HN 0.667 nan 8.380 nan 0.000 0.509 19 V N 3.605 123.547 119.914 0.046 0.000 2.295 19 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 19 V C 2.317 178.452 176.094 0.069 0.000 1.049 19 V CA 2.340 64.675 62.300 0.059 0.000 1.024 19 V CB -0.850 31.003 31.823 0.051 0.000 0.648 19 V HN 0.741 nan 8.190 nan 0.000 0.447 20 A N -1.010 121.846 122.820 0.061 0.000 1.930 20 A HA -0.262 4.058 4.320 -0.001 0.000 0.217 20 A C 2.263 179.895 177.584 0.080 0.000 1.175 20 A CA 1.878 53.957 52.037 0.070 0.000 0.627 20 A CB -0.502 18.531 19.000 0.054 0.000 0.815 20 A HN 0.597 nan 8.150 nan 0.000 0.443 21 Q N -0.726 119.114 119.800 0.066 0.000 2.050 21 Q HA -0.194 4.146 4.340 -0.001 0.000 0.202 21 Q C 2.041 178.089 176.000 0.080 0.000 0.980 21 Q CA 1.777 57.620 55.803 0.067 0.000 0.840 21 Q CB -0.264 28.504 28.738 0.050 0.000 0.898 21 Q HN 0.544 nan 8.270 nan 0.000 0.424 22 L N 0.675 121.945 121.223 0.078 0.000 2.012 22 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 22 L C 2.180 179.129 176.870 0.132 0.000 1.073 22 L CA 2.436 57.329 54.840 0.090 0.000 0.748 22 L CB -0.890 41.218 42.059 0.082 0.000 0.891 22 L HN 0.214 nan 8.230 nan 0.000 0.431 23 T N -0.126 114.512 114.554 0.141 0.000 2.746 23 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 23 T C 1.940 176.812 174.700 0.287 0.000 1.039 23 T CA 1.257 63.469 62.100 0.187 0.000 1.142 23 T CB -0.658 68.308 68.868 0.162 0.000 0.866 23 T HN 0.539 nan 8.240 nan 0.000 0.444 24 A N 1.619 124.577 122.820 0.230 0.000 1.908 24 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 24 A C 2.277 180.006 177.584 0.241 0.000 1.181 24 A CA 1.718 53.907 52.037 0.253 0.000 0.627 24 A CB -0.757 18.331 19.000 0.147 0.000 0.818 24 A HN 0.562 nan 8.150 nan 0.000 0.445 25 Q N -2.230 117.663 119.800 0.155 0.000 2.226 25 Q HA -0.202 4.138 4.340 -0.001 0.000 0.204 25 Q C 1.851 177.891 176.000 0.066 0.000 0.975 25 Q CA 1.554 57.402 55.803 0.076 0.000 0.866 25 Q CB -0.355 28.395 28.738 0.021 0.000 0.915 25 Q HN 0.876 nan 8.270 nan 0.000 0.440 26 Y N -0.437 119.848 120.300 -0.024 0.000 2.207 26 Y HA -0.315 4.235 4.550 -0.001 0.000 0.287 26 Y C 1.197 176.930 175.900 -0.278 0.000 1.156 26 Y CA 1.680 59.683 58.100 -0.162 0.000 1.182 26 Y CB 0.021 38.326 38.460 -0.259 0.000 0.979 26 Y HN 0.105 nan 8.280 nan 0.000 0.521 27 Y N -1.749 118.670 120.300 0.197 0.000 2.476 27 Y HA 0.027 4.577 4.550 -0.001 0.000 0.283 27 Y C 2.263 178.175 175.900 0.020 0.000 1.109 27 Y CA 0.988 59.149 58.100 0.102 0.000 1.246 27 Y CB -0.063 38.489 38.460 0.154 0.000 1.068 27 Y HN 0.102 nan 8.280 nan 0.000 0.552 28 V N -2.841 117.161 119.914 0.147 0.000 3.661 28 V HA 0.292 4.412 4.120 -0.001 0.000 0.271 28 V C 0.255 176.361 176.094 0.021 0.000 1.315 28 V CA 0.024 62.373 62.300 0.082 0.000 1.072 28 V CB -0.303 31.572 31.823 0.086 0.000 0.830 28 V HN 0.026 nan 8.190 nan 0.000 0.443 29 L N 1.833 123.034 121.223 -0.038 0.000 2.331 29 L HA 0.687 5.026 4.340 -0.001 0.000 0.275 29 L C -0.335 176.496 176.870 -0.065 0.000 1.022 29 L CA -0.636 54.146 54.840 -0.097 0.000 0.812 29 L CB 1.786 43.634 42.059 -0.352 0.000 1.257 29 L HN 0.045 nan 8.230 nan 0.000 0.435 30 K N 2.575 123.015 120.400 0.065 0.000 2.316 30 K HA 0.532 4.851 4.320 -0.001 0.000 0.251 30 K C -2.583 174.100 176.600 0.139 0.000 0.934 30 K CA -2.121 54.193 56.287 0.046 0.000 0.802 30 K CB 1.962 34.478 32.500 0.026 0.000 1.171 30 K HN 0.220 nan 8.250 nan 0.000 0.426 31 P HA 0.057 nan 4.420 nan 0.000 0.271 31 P C -0.489 176.910 177.300 0.165 0.000 1.218 31 P CA -0.173 62.989 63.100 0.102 0.000 0.780 31 P CB 0.667 32.352 31.700 -0.024 0.000 0.901 32 E N 1.667 122.107 120.200 0.400 0.000 2.290 32 E HA 0.334 4.684 4.350 -0.001 0.000 0.277 32 E C -0.128 176.510 176.600 0.063 0.000 1.035 32 E CA -0.720 55.781 56.400 0.168 0.000 0.873 32 E CB 0.362 30.114 29.700 0.087 0.000 1.029 32 E HN 0.472 nan 8.360 nan 0.000 0.419 33 A N 3.782 126.611 122.820 0.016 0.000 2.561 33 A HA 0.318 4.638 4.320 -0.001 0.000 0.251 33 A C 1.266 178.837 177.584 -0.021 0.000 1.062 33 A CA 0.782 52.814 52.037 -0.009 0.000 0.761 33 A CB -0.631 18.359 19.000 -0.017 0.000 0.986 33 A HN 1.070 nan 8.150 nan 0.000 0.510 34 G N 1.946 110.733 108.800 -0.021 0.000 2.176 34 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.253 34 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.253 34 G C 0.286 175.156 174.900 -0.050 0.000 0.979 34 G CA 0.313 45.395 45.100 -0.029 0.000 0.641 34 G HN 1.076 nan 8.290 nan 0.000 0.530 35 N N 0.938 119.589 118.700 -0.081 0.000 2.406 35 N HA 0.605 5.345 4.740 -0.001 0.000 0.251 35 N C 1.360 176.816 175.510 -0.090 0.000 1.069 35 N CA 0.587 53.537 53.050 -0.165 0.000 0.947 35 N CB 1.074 39.310 38.487 -0.419 0.000 1.111 35 N HN 0.457 nan 8.380 nan 0.000 0.497 36 A N 3.949 126.738 122.820 -0.051 0.000 2.014 36 A HA -0.060 4.259 4.320 -0.001 0.000 0.218 36 A C 1.660 179.278 177.584 0.056 0.000 1.163 36 A CA 0.995 53.042 52.037 0.016 0.000 0.652 36 A CB -0.252 18.757 19.000 0.016 0.000 0.808 36 A HN 0.823 nan 8.150 nan 0.000 0.449 37 E N -0.878 119.331 120.200 0.014 0.000 2.268 37 E HA -0.174 4.176 4.350 -0.001 0.000 0.195 37 E C 1.071 177.851 176.600 0.300 0.000 0.995 37 E CA 1.020 57.484 56.400 0.107 0.000 0.836 37 E CB -0.225 29.515 29.700 0.067 0.000 0.763 37 E HN 0.871 nan 8.360 nan 0.000 0.491 38 H N -0.750 118.396 119.070 0.127 0.000 2.575 38 H HA 0.309 4.864 4.556 -0.001 0.000 0.267 38 H C 0.584 176.082 175.328 0.283 0.000 0.966 38 H CA -0.556 55.617 56.048 0.209 0.000 1.165 38 H CB 0.631 30.487 29.762 0.158 0.000 1.433 38 H HN 0.006 nan 8.280 nan 0.000 0.544 39 A N 1.413 124.412 122.820 0.300 0.000 2.332 39 A HA 0.283 4.602 4.320 -0.001 0.000 0.258 39 A C 0.366 178.104 177.584 0.256 0.000 1.087 39 A CA -0.425 51.741 52.037 0.214 0.000 0.802 39 A CB 0.414 19.490 19.000 0.127 0.000 1.042 39 A HN 0.076 nan 8.150 nan 0.000 0.489 40 V N 1.785 121.781 119.914 0.138 0.000 2.529 40 V HA 0.099 4.219 4.120 -0.001 0.000 0.292 40 V C 0.344 176.584 176.094 0.243 0.000 1.028 40 V CA 0.647 62.970 62.300 0.038 0.000 1.074 40 V CB 0.270 32.043 31.823 -0.083 0.000 0.958 40 V HN 0.772 nan 8.190 nan 0.000 0.481 41 K N 5.717 126.413 120.400 0.493 0.000 2.579 41 K HA 0.376 4.696 4.320 -0.001 0.000 0.225 41 K C -1.119 175.715 176.600 0.390 0.000 0.992 41 K CA -0.303 56.188 56.287 0.341 0.000 1.018 41 K CB 1.256 33.893 32.500 0.228 0.000 1.249 41 K HN 0.539 nan 8.250 nan 0.000 0.489 42 F N 2.250 122.296 119.950 0.160 0.000 2.308 42 F HA 0.480 5.006 4.527 -0.001 0.000 0.370 42 F C 0.367 176.220 175.800 0.088 0.000 1.100 42 F CA -0.190 57.894 58.000 0.139 0.000 1.108 42 F CB 0.710 39.771 39.000 0.102 0.000 1.293 42 F HN 0.539 nan 8.300 nan 0.000 0.478 43 G N 1.784 110.455 108.800 -0.214 0.000 3.252 43 G HA2 0.218 4.177 3.960 -0.001 0.000 0.181 43 G HA3 0.218 4.177 3.960 -0.001 0.000 0.181 43 G C 0.675 175.443 174.900 -0.219 0.000 1.187 43 G CA 0.129 45.148 45.100 -0.137 0.000 0.886 43 G HN 0.433 nan 8.290 nan 0.000 0.615 44 T N -1.697 112.776 114.554 -0.135 0.000 2.833 44 T HA -0.055 4.295 4.350 -0.001 0.000 0.269 44 T C 1.770 176.378 174.700 -0.154 0.000 1.054 44 T CA 2.031 64.054 62.100 -0.128 0.000 1.135 44 T CB -0.150 68.670 68.868 -0.079 0.000 0.869 44 T HN 0.187 nan 8.240 nan 0.000 0.466 45 S N 0.644 116.242 115.700 -0.168 0.000 2.574 45 S HA 0.574 5.044 4.470 -0.001 0.000 0.242 45 S C 1.232 175.694 174.600 -0.229 0.000 0.982 45 S CA -0.187 57.909 58.200 -0.172 0.000 0.977 45 S CB -0.186 62.929 63.200 -0.141 0.000 0.814 45 S HN 1.072 nan 8.310 nan 0.000 0.464 46 G N 1.852 110.399 108.800 -0.423 0.000 2.552 46 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.265 46 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.265 46 G C -0.449 174.296 174.900 -0.258 0.000 1.234 46 G CA -0.048 44.624 45.100 -0.713 0.000 0.944 46 G HN 0.634 nan 8.290 nan 0.000 0.568 47 H N 1.047 120.139 119.070 0.037 0.000 2.459 47 H HA 0.786 5.342 4.556 -0.001 0.000 0.332 47 H C 0.488 175.937 175.328 0.202 0.000 1.094 47 H CA -0.507 55.667 56.048 0.210 0.000 1.224 47 H CB 0.703 30.694 29.762 0.383 0.000 1.449 47 H HN 0.649 nan 8.280 nan 0.000 0.484 48 R N 3.230 123.406 120.500 -0.540 0.000 2.807 48 R HA 0.697 5.037 4.340 -0.001 0.000 0.276 48 R C -0.727 175.306 176.300 -0.445 0.000 0.979 48 R CA -0.556 55.321 56.100 -0.371 0.000 0.928 48 R CB 2.360 32.500 30.300 -0.265 0.000 1.191 48 R HN 0.883 nan 8.270 nan 0.000 0.471 49 G N -0.287 108.368 108.800 -0.242 0.000 2.428 49 G HA2 0.325 4.284 3.960 -0.001 0.000 0.305 49 G HA3 0.325 4.284 3.960 -0.001 0.000 0.305 49 G C -1.667 173.179 174.900 -0.090 0.000 1.260 49 G CA -0.368 44.673 45.100 -0.098 0.000 0.853 49 G HN 0.421 nan 8.290 nan 0.000 0.480 50 S N -1.448 114.263 115.700 0.019 0.000 2.548 50 S HA 0.609 5.078 4.470 -0.001 0.000 0.276 50 S C 1.158 175.813 174.600 0.091 0.000 1.129 50 S CA 0.764 58.980 58.200 0.026 0.000 0.931 50 S CB 1.428 64.625 63.200 -0.005 0.000 1.068 50 S HN 1.890 nan 8.310 nan 0.000 0.480 51 A N 3.589 126.494 122.820 0.142 0.000 1.948 51 A HA 0.030 4.350 4.320 -0.001 0.000 0.220 51 A C 1.959 179.512 177.584 -0.052 0.000 1.177 51 A CA 2.229 54.321 52.037 0.091 0.000 0.636 51 A CB -1.273 17.830 19.000 0.172 0.000 0.815 51 A HN 1.129 nan 8.150 nan 0.000 0.449 52 G N -1.276 107.510 108.800 -0.023 0.000 2.534 52 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.217 52 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.217 52 G C 1.458 176.338 174.900 -0.034 0.000 1.128 52 G CA 0.414 45.482 45.100 -0.053 0.000 0.784 52 G HN 0.564 nan 8.290 nan 0.000 0.542 53 R N -0.392 120.116 120.500 0.014 0.000 2.468 53 R HA 0.182 4.521 4.340 -0.001 0.000 0.280 53 R C 0.100 176.458 176.300 0.097 0.000 0.963 53 R CA -0.330 55.841 56.100 0.119 0.000 1.083 53 R CB -0.087 30.274 30.300 0.101 0.000 1.200 53 R HN 0.490 nan 8.270 nan 0.000 0.541 54 H N -0.550 118.419 119.070 -0.168 0.000 2.899 54 H HA -0.134 4.422 4.556 -0.001 0.000 0.282 54 H C 0.323 175.542 175.328 -0.182 0.000 1.198 54 H CA 1.066 56.932 56.048 -0.303 0.000 1.140 54 H CB -1.540 27.763 29.762 -0.765 0.000 1.317 54 H HN 0.382 nan 8.280 nan 0.000 0.375 55 S N -0.886 114.815 115.700 0.002 0.000 2.730 55 S HA 0.346 4.816 4.470 -0.001 0.000 0.244 55 S C -0.135 174.342 174.600 -0.205 0.000 1.022 55 S CA -0.440 57.725 58.200 -0.058 0.000 1.014 55 S CB 0.467 63.722 63.200 0.092 0.000 0.963 55 S HN 0.308 nan 8.310 nan 0.000 0.540 56 F N 1.894 121.637 119.950 -0.345 0.000 3.256 56 F HA 0.452 4.979 4.527 -0.001 0.000 0.406 56 F C -1.174 174.596 175.800 -0.051 0.000 1.157 56 F CA -0.395 57.495 58.000 -0.183 0.000 1.278 56 F CB 0.196 39.189 39.000 -0.012 0.000 2.424 56 F HN 0.044 nan 8.300 nan 0.000 0.675 57 N N 1.264 119.864 118.700 -0.167 0.000 2.629 57 N HA 0.279 5.019 4.740 -0.001 0.000 0.279 57 N C 0.688 175.593 175.510 -1.008 0.000 1.344 57 N CA -0.839 51.870 53.050 -0.568 0.000 0.789 57 N CB 1.000 39.347 38.487 -0.234 0.000 1.508 57 N HN 0.415 nan 8.380 nan 0.000 0.516 58 E N 0.244 119.562 120.200 -1.469 0.000 2.086 58 E HA -0.162 4.187 4.350 -0.001 0.000 0.200 58 E C -0.978 175.362 176.600 -0.435 0.000 1.012 58 E CA 1.832 57.656 56.400 -0.959 0.000 0.812 58 E CB -0.637 28.744 29.700 -0.530 0.000 0.743 58 E HN 0.407 nan 8.360 nan 0.000 0.453 59 P HA -0.150 nan 4.420 nan 0.000 0.215 59 P C 0.481 177.577 177.300 -0.341 0.000 1.153 59 P CA 1.645 64.554 63.100 -0.319 0.000 0.853 59 P CB -0.096 31.392 31.700 -0.354 0.000 0.788 60 H N -1.313 117.560 119.070 -0.327 0.000 2.319 60 H HA -0.098 4.458 4.556 -0.001 0.000 0.299 60 H C 1.812 176.937 175.328 -0.339 0.000 1.092 60 H CA 1.153 56.989 56.048 -0.355 0.000 1.302 60 H CB -0.632 28.862 29.762 -0.447 0.000 1.373 60 H HN 0.052 nan 8.280 nan 0.000 0.497 61 I N 0.249 120.696 120.570 -0.205 0.000 2.333 61 I HA -0.161 4.009 4.170 -0.001 0.000 0.246 61 I C 2.243 178.293 176.117 -0.111 0.000 1.106 61 I CA 0.941 62.151 61.300 -0.151 0.000 1.411 61 I CB -1.113 36.840 38.000 -0.077 0.000 1.082 61 I HN 0.260 nan 8.210 nan 0.000 0.420 62 L N 0.965 122.119 121.223 -0.116 0.000 2.013 62 L HA -0.226 4.114 4.340 -0.001 0.000 0.212 62 L C 2.834 179.627 176.870 -0.128 0.000 1.073 62 L CA 1.686 56.465 54.840 -0.102 0.000 0.753 62 L CB -0.812 41.189 42.059 -0.096 0.000 0.890 62 L HN 0.204 nan 8.230 nan 0.000 0.432 63 A N 0.185 122.909 122.820 -0.159 0.000 1.877 63 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 63 A C 2.212 179.678 177.584 -0.196 0.000 1.186 63 A CA 1.566 53.500 52.037 -0.170 0.000 0.620 63 A CB -0.666 18.222 19.000 -0.186 0.000 0.822 63 A HN 0.351 nan 8.150 nan 0.000 0.443 64 I N -0.205 120.235 120.570 -0.216 0.000 2.226 64 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 64 I C 2.951 178.918 176.117 -0.251 0.000 1.100 64 I CA 1.077 62.205 61.300 -0.287 0.000 1.374 64 I CB -0.297 37.547 38.000 -0.260 0.000 1.057 64 I HN 0.352 nan 8.210 nan 0.000 0.413 65 A N 0.058 122.779 122.820 -0.164 0.000 1.902 65 A HA -0.281 4.039 4.320 -0.001 0.000 0.217 65 A C 2.242 179.733 177.584 -0.156 0.000 1.181 65 A CA 1.915 53.872 52.037 -0.134 0.000 0.623 65 A CB -0.595 18.353 19.000 -0.086 0.000 0.818 65 A HN 0.421 nan 8.150 nan 0.000 0.443 66 Q N -0.087 119.622 119.800 -0.151 0.000 2.079 66 Q HA -0.003 4.336 4.340 -0.001 0.000 0.200 66 Q C 2.017 177.916 176.000 -0.168 0.000 0.974 66 Q CA 2.075 57.792 55.803 -0.143 0.000 0.840 66 Q CB -0.589 28.075 28.738 -0.124 0.000 0.898 66 Q HN 0.543 nan 8.270 nan 0.000 0.430 67 A N 0.172 122.869 122.820 -0.205 0.000 1.902 67 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 67 A C 2.123 179.546 177.584 -0.268 0.000 1.181 67 A CA 1.496 53.395 52.037 -0.230 0.000 0.623 67 A CB -0.722 18.112 19.000 -0.277 0.000 0.818 67 A HN 0.478 nan 8.150 nan 0.000 0.443 68 I N -0.252 120.122 120.570 -0.326 0.000 2.179 68 I HA -0.277 3.893 4.170 -0.001 0.000 0.242 68 I C 3.007 178.945 176.117 -0.299 0.000 1.088 68 I CA 0.979 62.034 61.300 -0.409 0.000 1.357 68 I CB -0.440 37.292 38.000 -0.447 0.000 1.051 68 I HN 0.357 nan 8.210 nan 0.000 0.409 69 A N 0.692 123.387 122.820 -0.208 0.000 1.927 69 A HA -0.295 4.025 4.320 -0.001 0.000 0.220 69 A C 2.192 179.697 177.584 -0.132 0.000 1.185 69 A CA 2.267 54.213 52.037 -0.151 0.000 0.639 69 A CB -0.704 18.218 19.000 -0.131 0.000 0.820 69 A HN 0.513 nan 8.150 nan 0.000 0.451 70 E N -1.291 118.827 120.200 -0.136 0.000 2.046 70 E HA -0.160 4.189 4.350 -0.001 0.000 0.190 70 E C 2.128 178.667 176.600 -0.103 0.000 0.982 70 E CA 1.091 57.427 56.400 -0.108 0.000 0.800 70 E CB -0.122 29.515 29.700 -0.103 0.000 0.756 70 E HN 0.679 nan 8.360 nan 0.000 0.449 71 E N 1.498 121.616 120.200 -0.136 0.000 2.051 71 E HA -0.208 4.142 4.350 -0.001 0.000 0.192 71 E C 2.056 178.610 176.600 -0.077 0.000 0.991 71 E CA 1.629 57.961 56.400 -0.114 0.000 0.799 71 E CB -0.072 29.533 29.700 -0.158 0.000 0.748 71 E HN 0.234 nan 8.360 nan 0.000 0.449 72 R N 0.298 120.736 120.500 -0.102 0.000 2.081 72 R HA -0.050 4.289 4.340 -0.001 0.000 0.235 72 R C 2.267 178.563 176.300 -0.007 0.000 1.131 72 R CA 1.479 57.570 56.100 -0.014 0.000 0.960 72 R CB -0.734 29.569 30.300 0.006 0.000 0.856 72 R HN 0.157 nan 8.270 nan 0.000 0.436 73 A N 1.998 124.798 122.820 -0.034 0.000 1.877 73 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 73 A C 2.107 179.681 177.584 -0.017 0.000 1.186 73 A CA 1.715 53.737 52.037 -0.026 0.000 0.620 73 A CB -0.427 18.549 19.000 -0.040 0.000 0.822 73 A HN 0.401 nan 8.150 nan 0.000 0.443 74 K N -0.218 120.167 120.400 -0.024 0.000 2.113 74 K HA -0.139 4.180 4.320 -0.001 0.000 0.208 74 K C 0.762 177.360 176.600 -0.004 0.000 1.047 74 K CA 1.442 57.719 56.287 -0.017 0.000 0.928 74 K CB -0.234 32.252 32.500 -0.024 0.000 0.716 74 K HN 0.386 nan 8.250 nan 0.000 0.446 75 N N -0.226 118.477 118.700 0.005 0.000 2.370 75 N HA 0.020 4.760 4.740 -0.001 0.000 0.198 75 N C 0.524 176.048 175.510 0.022 0.000 1.156 75 N CA 0.845 53.906 53.050 0.019 0.000 0.839 75 N CB 1.017 39.528 38.487 0.040 0.000 0.989 75 N HN 0.383 nan 8.380 nan 0.000 0.468 76 G N 0.839 109.649 108.800 0.016 0.000 2.137 76 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.237 76 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.237 76 G C -0.129 174.788 174.900 0.028 0.000 1.002 76 G CA -0.305 44.807 45.100 0.019 0.000 0.702 76 G HN 0.333 nan 8.290 nan 0.000 0.515 77 I N 1.627 122.215 120.570 0.032 0.000 2.307 77 I HA 0.431 4.601 4.170 -0.001 0.000 0.289 77 I C 1.353 177.486 176.117 0.027 0.000 1.021 77 I CA 0.226 61.551 61.300 0.042 0.000 1.224 77 I CB 1.623 39.662 38.000 0.066 0.000 1.376 77 I HN 0.226 nan 8.210 nan 0.000 0.470 78 T N 0.580 115.153 114.554 0.031 0.000 3.040 78 T HA 0.280 4.629 4.350 -0.001 0.000 0.266 78 T C 0.819 175.533 174.700 0.024 0.000 1.005 78 T CA -0.136 61.976 62.100 0.020 0.000 0.906 78 T CB 0.279 69.161 68.868 0.024 0.000 1.082 78 T HN 0.537 nan 8.240 nan 0.000 0.531 79 G N 2.697 111.517 108.800 0.033 0.000 2.508 79 G HA2 0.587 4.547 3.960 -0.001 0.000 0.278 79 G HA3 0.587 4.547 3.960 -0.001 0.000 0.278 79 G C -2.518 172.346 174.900 -0.060 0.000 1.389 79 G CA -1.403 43.708 45.100 0.018 0.000 1.050 79 G HN 0.284 nan 8.290 nan 0.000 0.522 80 P HA 0.260 nan 4.420 nan 0.000 0.279 80 P C -0.957 176.216 177.300 -0.210 0.000 1.252 80 P CA -0.355 62.614 63.100 -0.220 0.000 0.811 80 P CB 1.548 33.030 31.700 -0.363 0.000 1.035 81 C N 3.357 122.554 119.300 -0.172 0.000 2.281 81 C HA 0.431 4.891 4.460 -0.001 0.000 0.323 81 C C -0.344 174.570 174.990 -0.126 0.000 1.270 81 C CA -0.591 58.389 59.018 -0.063 0.000 1.559 81 C CB -1.702 26.049 27.740 0.017 0.000 2.239 81 C HN 0.426 nan 8.230 nan 0.000 0.488 82 Y N 4.867 125.172 120.300 0.008 0.000 2.584 82 Y HA 0.343 4.893 4.550 -0.000 0.000 0.351 82 Y C 0.600 176.544 175.900 0.074 0.000 1.030 82 Y CA 0.290 58.407 58.100 0.030 0.000 1.332 82 Y CB 0.520 38.982 38.460 0.004 0.000 1.148 82 Y HN 0.461 nan 8.280 nan 0.000 0.528 83 V N 4.252 124.292 119.914 0.209 0.000 2.334 83 V HA 0.612 4.731 4.120 -0.001 0.000 0.281 83 V C 0.484 176.742 176.094 0.273 0.000 1.016 83 V CA -0.704 61.745 62.300 0.249 0.000 0.832 83 V CB 1.084 33.058 31.823 0.252 0.000 0.999 83 V HN 0.881 nan 8.190 nan 0.000 0.439 84 G N 4.368 113.283 108.800 0.191 0.000 2.432 84 G HA2 0.780 4.740 3.960 -0.001 0.000 0.331 84 G HA3 0.780 4.740 3.960 -0.001 0.000 0.331 84 G C -0.877 174.065 174.900 0.071 0.000 1.170 84 G CA -0.756 44.399 45.100 0.092 0.000 0.943 84 G HN 0.736 nan 8.290 nan 0.000 0.483 85 K N 0.237 120.629 120.400 -0.014 0.000 2.469 85 K HA 0.566 4.885 4.320 -0.001 0.000 0.254 85 K C -1.252 175.453 176.600 0.176 0.000 0.939 85 K CA -0.889 55.425 56.287 0.046 0.000 0.812 85 K CB 2.605 35.047 32.500 -0.098 0.000 1.301 85 K HN 0.528 nan 8.250 nan 0.000 0.433 86 D N 0.393 120.914 120.400 0.202 0.000 2.539 86 D HA 0.048 4.688 4.640 -0.001 0.000 0.280 86 D C 0.552 176.971 176.300 0.199 0.000 1.208 86 D CA -0.297 53.823 54.000 0.201 0.000 1.088 86 D CB 0.608 41.513 40.800 0.175 0.000 1.149 86 D HN 0.636 nan 8.370 nan 0.000 0.596 87 T N -4.006 110.512 114.554 -0.061 0.000 3.188 87 T HA 0.139 4.489 4.350 -0.001 0.000 0.250 87 T C 0.287 175.010 174.700 0.040 0.000 1.077 87 T CA -0.215 61.699 62.100 -0.311 0.000 0.967 87 T CB -0.964 67.565 68.868 -0.564 0.000 1.006 87 T HN 0.324 nan 8.240 nan 0.000 0.552 88 H N 0.781 119.946 119.070 0.159 0.000 2.707 88 H HA 0.574 5.129 4.556 -0.001 0.000 0.359 88 H C 1.701 177.106 175.328 0.128 0.000 1.113 88 H CA 0.445 56.601 56.048 0.180 0.000 1.422 88 H CB 0.856 30.642 29.762 0.041 0.000 1.443 88 H HN 0.216 nan 8.280 nan 0.000 0.591 89 A N 3.373 126.328 122.820 0.226 0.000 1.884 89 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 89 A C 2.117 179.781 177.584 0.135 0.000 1.197 89 A CA 1.684 53.812 52.037 0.151 0.000 0.637 89 A CB -0.823 18.254 19.000 0.127 0.000 0.827 89 A HN 0.725 nan 8.150 nan 0.000 0.450 90 L N 0.119 121.413 121.223 0.118 0.000 2.549 90 L HA -0.085 4.255 4.340 -0.001 0.000 0.229 90 L C 2.438 179.400 176.870 0.154 0.000 1.158 90 L CA 0.727 55.628 54.840 0.101 0.000 0.842 90 L CB -0.262 41.837 42.059 0.067 0.000 0.952 90 L HN 0.323 nan 8.230 nan 0.000 0.452 91 S N -0.460 115.335 115.700 0.159 0.000 2.423 91 S HA -0.124 4.345 4.470 -0.001 0.000 0.231 91 S C 1.776 176.493 174.600 0.196 0.000 1.014 91 S CA 0.888 59.210 58.200 0.203 0.000 0.965 91 S CB -0.050 63.274 63.200 0.207 0.000 0.785 91 S HN 0.449 nan 8.310 nan 0.000 0.495 92 E N 1.198 121.487 120.200 0.148 0.000 2.015 92 E HA -0.067 4.283 4.350 -0.001 0.000 0.191 92 E C -0.528 176.138 176.600 0.109 0.000 0.991 92 E CA 1.150 57.637 56.400 0.145 0.000 0.802 92 E CB -1.834 27.940 29.700 0.124 0.000 0.759 92 E HN 0.425 nan 8.360 nan 0.000 0.447 93 P HA -0.115 nan 4.420 nan 0.000 0.216 93 P C 1.388 178.499 177.300 -0.315 0.000 1.153 93 P CA 1.836 64.725 63.100 -0.352 0.000 0.848 93 P CB -0.057 30.932 31.700 -1.185 0.000 0.787 94 A N -0.157 122.555 122.820 -0.180 0.000 1.908 94 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 94 A C 2.182 179.884 177.584 0.197 0.000 1.181 94 A CA 1.618 53.739 52.037 0.140 0.000 0.627 94 A CB -1.911 17.309 19.000 0.367 0.000 0.818 94 A HN 0.144 nan 8.150 nan 0.000 0.445 95 F N 0.655 120.646 119.950 0.069 0.000 2.095 95 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 95 F C 1.954 177.785 175.800 0.052 0.000 1.104 95 F CA 1.801 59.841 58.000 0.067 0.000 1.232 95 F CB -0.375 38.660 39.000 0.058 0.000 0.987 95 F HN 0.195 nan 8.300 nan 0.000 0.475 96 I N -0.444 120.143 120.570 0.029 0.000 2.179 96 I HA -0.344 3.826 4.170 -0.001 0.000 0.242 96 I C 2.448 178.532 176.117 -0.054 0.000 1.088 96 I CA 1.612 62.868 61.300 -0.075 0.000 1.357 96 I CB -0.716 37.326 38.000 0.071 0.000 1.051 96 I HN 0.070 nan 8.210 nan 0.000 0.409 97 S N 0.166 115.891 115.700 0.043 0.000 2.383 97 S HA -0.140 4.330 4.470 -0.001 0.000 0.229 97 S C 2.084 176.672 174.600 -0.019 0.000 1.030 97 S CA 1.152 59.384 58.200 0.053 0.000 1.002 97 S CB -0.317 62.959 63.200 0.127 0.000 0.829 97 S HN 0.237 nan 8.310 nan 0.000 0.467 98 V N 2.108 121.998 119.914 -0.040 0.000 2.358 98 V HA -0.130 3.990 4.120 -0.001 0.000 0.246 98 V C 2.152 178.170 176.094 -0.126 0.000 1.047 98 V CA 1.439 63.701 62.300 -0.062 0.000 1.035 98 V CB -0.669 31.149 31.823 -0.008 0.000 0.658 98 V HN 0.441 nan 8.190 nan 0.000 0.452 99 L N -0.505 120.586 121.223 -0.221 0.000 2.056 99 L HA -0.168 4.172 4.340 -0.001 0.000 0.207 99 L C 2.573 179.366 176.870 -0.128 0.000 1.078 99 L CA 1.622 56.327 54.840 -0.224 0.000 0.749 99 L CB -0.728 41.120 42.059 -0.352 0.000 0.901 99 L HN 0.383 nan 8.230 nan 0.000 0.433 100 E N -0.179 119.962 120.200 -0.098 0.000 2.097 100 E HA -0.212 4.138 4.350 -0.001 0.000 0.196 100 E C 2.219 178.784 176.600 -0.057 0.000 1.000 100 E CA 1.549 57.916 56.400 -0.056 0.000 0.804 100 E CB -0.056 29.630 29.700 -0.024 0.000 0.740 100 E HN 0.298 nan 8.360 nan 0.000 0.454 101 V N 1.105 120.979 119.914 -0.067 0.000 2.446 101 V HA -0.159 3.960 4.120 -0.001 0.000 0.244 101 V C 2.268 178.306 176.094 -0.093 0.000 1.039 101 V CA 0.970 63.226 62.300 -0.074 0.000 1.045 101 V CB -0.342 31.436 31.823 -0.076 0.000 0.681 101 V HN 0.234 nan 8.190 nan 0.000 0.459 102 L N 0.464 121.627 121.223 -0.100 0.000 2.012 102 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 102 L C 2.778 179.558 176.870 -0.150 0.000 1.073 102 L CA 1.810 56.579 54.840 -0.118 0.000 0.748 102 L CB -0.883 41.114 42.059 -0.104 0.000 0.891 102 L HN 0.380 nan 8.230 nan 0.000 0.431 103 A N 0.077 122.826 122.820 -0.118 0.000 1.902 103 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 103 A C 2.534 180.049 177.584 -0.115 0.000 1.181 103 A CA 1.611 53.582 52.037 -0.110 0.000 0.623 103 A CB -0.664 18.339 19.000 0.004 0.000 0.818 103 A HN 0.408 nan 8.150 nan 0.000 0.443 104 A N 0.017 122.790 122.820 -0.078 0.000 2.024 104 A HA -0.174 4.145 4.320 -0.001 0.000 0.220 104 A C 1.714 179.242 177.584 -0.093 0.000 1.164 104 A CA 1.529 53.528 52.037 -0.063 0.000 0.643 104 A CB -0.539 18.429 19.000 -0.052 0.000 0.806 104 A HN 0.593 nan 8.150 nan 0.000 0.451 105 N N -0.744 117.877 118.700 -0.132 0.000 2.314 105 N HA 0.129 4.869 4.740 -0.001 0.000 0.200 105 N C 1.000 176.393 175.510 -0.195 0.000 1.135 105 N CA 0.798 53.766 53.050 -0.137 0.000 0.835 105 N CB 0.288 38.700 38.487 -0.124 0.000 0.989 105 N HN 0.610 nan 8.380 nan 0.000 0.478 106 G N 0.736 109.343 108.800 -0.322 0.000 2.153 106 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.252 106 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.252 106 G C 0.143 174.688 174.900 -0.591 0.000 0.994 106 G CA 0.094 44.859 45.100 -0.558 0.000 0.698 106 G HN 0.184 nan 8.290 nan 0.000 0.521 107 V N 1.252 120.905 119.914 -0.435 0.000 2.555 107 V HA 0.275 4.394 4.120 -0.001 0.000 0.286 107 V C 0.323 176.277 176.094 -0.233 0.000 1.044 107 V CA -0.515 61.631 62.300 -0.257 0.000 1.026 107 V CB 1.346 33.073 31.823 -0.159 0.000 0.981 107 V HN 0.286 nan 8.190 nan 0.000 0.480 108 D N 3.795 124.144 120.400 -0.086 0.000 2.295 108 D HA 0.364 5.003 4.640 -0.001 0.000 0.248 108 D C -0.337 175.923 176.300 -0.066 0.000 1.154 108 D CA 0.053 54.058 54.000 0.008 0.000 0.857 108 D CB 1.878 42.700 40.800 0.038 0.000 1.117 108 D HN 0.238 nan 8.370 nan 0.000 0.468 109 V N 3.606 123.487 119.914 -0.055 0.000 2.581 109 V HA 0.472 4.592 4.120 -0.001 0.000 0.303 109 V C 0.405 176.428 176.094 -0.118 0.000 1.041 109 V CA -0.791 61.454 62.300 -0.091 0.000 0.907 109 V CB 1.931 33.716 31.823 -0.063 0.000 0.994 109 V HN 0.350 nan 8.190 nan 0.000 0.442 110 I N 4.797 125.249 120.570 -0.197 0.000 2.436 110 I HA 0.660 4.829 4.170 -0.001 0.000 0.289 110 I C -0.502 175.605 176.117 -0.017 0.000 1.010 110 I CA -0.854 60.334 61.300 -0.186 0.000 1.098 110 I CB 1.992 39.699 38.000 -0.488 0.000 1.266 110 I HN 0.517 nan 8.210 nan 0.000 0.434 111 V N 2.267 122.223 119.914 0.070 0.000 3.001 111 V HA 0.548 4.667 4.120 -0.001 0.000 0.314 111 V C -0.487 175.671 176.094 0.107 0.000 1.099 111 V CA -0.986 61.411 62.300 0.161 0.000 0.989 111 V CB 1.750 33.749 31.823 0.294 0.000 1.040 111 V HN 0.765 nan 8.190 nan 0.000 0.434 112 Q N 2.588 122.428 119.800 0.068 0.000 2.289 112 Q HA 0.208 4.548 4.340 -0.001 0.000 0.273 112 Q C 0.419 176.406 176.000 -0.021 0.000 1.029 112 Q CA 0.447 56.255 55.803 0.009 0.000 0.896 112 Q CB 0.536 29.250 28.738 -0.040 0.000 1.182 112 Q HN 0.976 nan 8.270 nan 0.000 0.385 113 E N 3.783 123.975 120.200 -0.013 0.000 2.425 113 E HA -0.098 4.252 4.350 -0.001 0.000 0.258 113 E C -0.451 176.115 176.600 -0.056 0.000 1.151 113 E CA -0.033 56.356 56.400 -0.018 0.000 0.958 113 E CB 0.261 29.955 29.700 -0.011 0.000 0.968 113 E HN 0.754 nan 8.360 nan 0.000 0.451 114 N N 1.102 119.776 118.700 -0.044 0.000 2.725 114 N HA -0.284 4.456 4.740 -0.001 0.000 0.249 114 N C -0.376 175.061 175.510 -0.122 0.000 1.103 114 N CA 1.324 54.336 53.050 -0.062 0.000 0.707 114 N CB -1.777 36.676 38.487 -0.056 0.000 1.043 114 N HN 0.880 nan 8.380 nan 0.000 0.553 115 N N -1.745 116.874 118.700 -0.136 0.000 2.714 115 N HA -0.171 4.569 4.740 -0.001 0.000 0.250 115 N C 0.561 175.739 175.510 -0.554 0.000 1.117 115 N CA 1.323 54.212 53.050 -0.267 0.000 0.719 115 N CB -0.952 37.425 38.487 -0.184 0.000 1.081 115 N HN 0.664 nan 8.380 nan 0.000 0.557 116 G N -1.165 107.359 108.800 -0.459 0.000 2.653 116 G HA2 0.447 4.407 3.960 -0.001 0.000 0.265 116 G HA3 0.447 4.407 3.960 -0.001 0.000 0.265 116 G C -0.267 174.203 174.900 -0.716 0.000 1.237 116 G CA -0.368 44.395 45.100 -0.561 0.000 0.946 116 G HN 0.155 nan 8.290 nan 0.000 0.522 117 F N -1.348 118.556 119.950 -0.076 0.000 2.507 117 F HA 0.574 5.101 4.527 -0.000 0.000 0.327 117 F C 0.512 176.273 175.800 -0.065 0.000 1.068 117 F CA -0.561 57.383 58.000 -0.094 0.000 0.965 117 F CB 2.674 41.622 39.000 -0.087 0.000 1.192 117 F HN 0.224 nan 8.300 nan 0.000 0.476 118 T N 2.875 117.468 114.554 0.066 0.000 2.937 118 T HA 0.369 4.718 4.350 -0.001 0.000 0.297 118 T C -2.831 171.752 174.700 -0.194 0.000 0.991 118 T CA -1.568 60.493 62.100 -0.066 0.000 0.990 118 T CB 1.808 70.665 68.868 -0.019 0.000 0.991 118 T HN 0.106 nan 8.240 nan 0.000 0.440 119 P HA 0.094 nan 4.420 nan 0.000 0.265 119 P C 1.080 178.237 177.300 -0.239 0.000 1.187 119 P CA 0.103 62.969 63.100 -0.389 0.000 0.766 119 P CB 0.401 31.686 31.700 -0.691 0.000 0.820 120 T N 4.399 118.878 114.554 -0.126 0.000 2.653 120 T HA -0.125 4.224 4.350 -0.001 0.000 0.268 120 T C -0.717 173.916 174.700 -0.112 0.000 1.035 120 T CA 2.236 64.279 62.100 -0.096 0.000 1.154 120 T CB -1.660 67.161 68.868 -0.077 0.000 0.862 120 T HN 0.593 nan 8.240 nan 0.000 0.441 121 P HA 0.096 nan 4.420 nan 0.000 0.226 121 P C 1.155 178.435 177.300 -0.034 0.000 1.153 121 P CA 0.993 64.076 63.100 -0.029 0.000 0.777 121 P CB -0.095 31.668 31.700 0.105 0.000 0.794 122 A N -0.012 122.658 122.820 -0.250 0.000 1.968 122 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 122 A C 2.364 179.858 177.584 -0.150 0.000 1.169 122 A CA 1.136 53.014 52.037 -0.265 0.000 0.638 122 A CB -1.406 17.261 19.000 -0.555 0.000 0.812 122 A HN 0.043 nan 8.150 nan 0.000 0.446 123 V N -0.583 119.247 119.914 -0.141 0.000 2.307 123 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 123 V C 2.773 178.764 176.094 -0.171 0.000 1.045 123 V CA 2.221 64.447 62.300 -0.122 0.000 1.024 123 V CB -0.852 30.948 31.823 -0.038 0.000 0.651 123 V HN 0.633 nan 8.190 nan 0.000 0.449 124 S N 0.266 115.885 115.700 -0.134 0.000 2.353 124 S HA -0.307 4.163 4.470 -0.001 0.000 0.222 124 S C 2.121 176.603 174.600 -0.197 0.000 1.035 124 S CA 2.224 60.346 58.200 -0.130 0.000 1.025 124 S CB -0.712 62.435 63.200 -0.087 0.000 0.902 124 S HN 0.696 nan 8.310 nan 0.000 0.440 125 N N 0.874 119.413 118.700 -0.268 0.000 2.094 125 N HA -0.157 4.582 4.740 -0.001 0.000 0.191 125 N C 1.874 177.167 175.510 -0.362 0.000 1.023 125 N CA 1.544 54.326 53.050 -0.445 0.000 0.857 125 N CB -0.436 37.666 38.487 -0.642 0.000 1.013 125 N HN 0.495 nan 8.380 nan 0.000 0.426 126 A N 1.236 123.834 122.820 -0.370 0.000 1.933 126 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 126 A C 2.323 179.552 177.584 -0.592 0.000 1.175 126 A CA 0.833 52.526 52.037 -0.574 0.000 0.628 126 A CB -0.540 17.898 19.000 -0.936 0.000 0.814 126 A HN 0.356 nan 8.150 nan 0.000 0.444 127 I N -0.297 120.012 120.570 -0.434 0.000 2.179 127 I HA -0.282 3.888 4.170 -0.001 0.000 0.242 127 I C 2.405 178.510 176.117 -0.020 0.000 1.088 127 I CA 1.246 62.453 61.300 -0.155 0.000 1.357 127 I CB -0.412 37.541 38.000 -0.078 0.000 1.051 127 I HN 0.294 nan 8.210 nan 0.000 0.409 128 L N -0.120 121.067 121.223 -0.060 0.000 2.012 128 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 128 L C 2.610 179.469 176.870 -0.017 0.000 1.073 128 L CA 1.170 56.005 54.840 -0.008 0.000 0.748 128 L CB -0.738 41.284 42.059 -0.061 0.000 0.891 128 L HN 0.089 nan 8.230 nan 0.000 0.431 129 V N -0.786 119.082 119.914 -0.078 0.000 2.343 129 V HA -0.328 3.791 4.120 -0.001 0.000 0.247 129 V C 2.549 178.655 176.094 0.020 0.000 1.051 129 V CA 1.965 64.234 62.300 -0.052 0.000 1.036 129 V CB -0.850 30.917 31.823 -0.094 0.000 0.654 129 V HN 0.539 nan 8.190 nan 0.000 0.451 130 H N 0.744 119.803 119.070 -0.018 0.000 2.321 130 H HA -0.150 4.406 4.556 -0.001 0.000 0.300 130 H C 2.166 177.533 175.328 0.064 0.000 1.087 130 H CA 2.096 58.184 56.048 0.066 0.000 1.319 130 H CB -0.009 29.859 29.762 0.177 0.000 1.379 130 H HN 0.368 nan 8.280 nan 0.000 0.501 131 N N 0.912 119.751 118.700 0.231 0.000 2.396 131 N HA -0.101 4.639 4.740 -0.001 0.000 0.180 131 N C 1.893 177.453 175.510 0.084 0.000 1.028 131 N CA 0.555 53.723 53.050 0.197 0.000 0.893 131 N CB -0.215 38.405 38.487 0.222 0.000 0.967 131 N HN 0.249 nan 8.380 nan 0.000 0.440 132 K N 1.773 122.199 120.400 0.043 0.000 2.280 132 K HA -0.004 4.315 4.320 -0.001 0.000 0.202 132 K C 1.378 177.970 176.600 -0.013 0.000 1.047 132 K CA 1.098 57.390 56.287 0.007 0.000 0.942 132 K CB 0.098 32.588 32.500 -0.016 0.000 0.739 132 K HN 0.107 nan 8.250 nan 0.000 0.457 133 K N -1.274 119.097 120.400 -0.048 0.000 2.283 133 K HA 0.021 4.341 4.320 -0.001 0.000 0.202 133 K C 0.939 177.513 176.600 -0.043 0.000 1.048 133 K CA 0.848 57.095 56.287 -0.068 0.000 0.948 133 K CB -0.001 32.416 32.500 -0.140 0.000 0.742 133 K HN 0.398 nan 8.250 nan 0.000 0.458 134 G N 1.007 109.796 108.800 -0.019 0.000 2.136 134 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.242 134 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.242 134 G C 0.368 175.278 174.900 0.017 0.000 0.989 134 G CA 0.025 45.133 45.100 0.013 0.000 0.682 134 G HN 0.532 nan 8.290 nan 0.000 0.522 135 G N -0.095 108.707 108.800 0.004 0.000 2.695 135 G HA2 0.702 4.661 3.960 -0.001 0.000 0.213 135 G HA3 0.702 4.661 3.960 -0.001 0.000 0.213 135 G C -1.862 173.090 174.900 0.087 0.000 1.406 135 G CA -0.572 44.548 45.100 0.034 0.000 1.049 135 G HN 0.257 nan 8.290 nan 0.000 0.573 136 P HA 0.093 nan 4.420 nan 0.000 0.263 136 P C -0.217 177.204 177.300 0.202 0.000 1.175 136 P CA 0.293 63.469 63.100 0.126 0.000 0.761 136 P CB 0.330 32.097 31.700 0.112 0.000 0.794 137 L N 1.689 122.998 121.223 0.143 0.000 2.426 137 L HA 0.386 4.725 4.340 -0.001 0.000 0.271 137 L C 0.905 177.827 176.870 0.086 0.000 1.169 137 L CA -0.473 54.456 54.840 0.149 0.000 0.836 137 L CB 0.350 42.466 42.059 0.095 0.000 1.112 137 L HN 0.400 nan 8.230 nan 0.000 0.465 138 A N 2.339 125.188 122.820 0.049 0.000 2.282 138 A HA 0.666 4.986 4.320 -0.001 0.000 0.319 138 A C -0.754 176.857 177.584 0.045 0.000 1.121 138 A CA -0.497 51.498 52.037 -0.070 0.000 0.836 138 A CB 0.928 19.785 19.000 -0.238 0.000 1.146 138 A HN 0.810 nan 8.150 nan 0.000 0.494 139 D N -0.854 119.590 120.400 0.073 0.000 2.867 139 D HA 0.753 5.392 4.640 -0.001 0.000 0.308 139 D C -0.176 176.198 176.300 0.125 0.000 1.202 139 D CA 0.033 54.070 54.000 0.061 0.000 1.035 139 D CB 0.870 41.726 40.800 0.093 0.000 1.427 139 D HN 1.012 nan 8.370 nan 0.000 0.570 140 G N -1.323 107.517 108.800 0.067 0.000 2.677 140 G HA2 0.587 4.547 3.960 -0.001 0.000 0.291 140 G HA3 0.587 4.547 3.960 -0.001 0.000 0.291 140 G C -1.633 173.376 174.900 0.181 0.000 1.435 140 G CA -0.834 44.352 45.100 0.144 0.000 0.826 140 G HN 0.461 nan 8.290 nan 0.000 0.491 141 I N 0.392 121.093 120.570 0.218 0.000 2.498 141 I HA 0.460 4.629 4.170 -0.001 0.000 0.290 141 I C -0.560 175.669 176.117 0.186 0.000 1.032 141 I CA -1.127 60.321 61.300 0.247 0.000 1.073 141 I CB 2.495 40.652 38.000 0.262 0.000 1.251 141 I HN 0.197 nan 8.210 nan 0.000 0.426 142 V N 6.844 126.853 119.914 0.159 0.000 2.384 142 V HA 0.431 4.551 4.120 -0.001 0.000 0.287 142 V C 0.025 176.209 176.094 0.150 0.000 1.020 142 V CA -0.516 61.857 62.300 0.121 0.000 0.850 142 V CB 1.641 33.495 31.823 0.052 0.000 0.987 142 V HN 0.466 nan 8.190 nan 0.000 0.436 143 I N 4.375 125.044 120.570 0.165 0.000 2.276 143 I HA 0.493 4.663 4.170 -0.001 0.000 0.290 143 I C 0.174 176.370 176.117 0.132 0.000 1.109 143 I CA 0.379 61.798 61.300 0.197 0.000 1.229 143 I CB 0.845 39.002 38.000 0.263 0.000 1.452 143 I HN 0.725 nan 8.210 nan 0.000 0.497 144 T N 6.345 120.941 114.554 0.070 0.000 3.159 144 T HA 0.365 4.714 4.350 -0.001 0.000 0.343 144 T C -2.637 171.985 174.700 -0.131 0.000 1.364 144 T CA -0.915 61.176 62.100 -0.014 0.000 1.102 144 T CB 2.174 71.055 68.868 0.021 0.000 1.263 144 T HN 0.250 nan 8.240 nan 0.000 0.477 145 P HA 0.287 nan 4.420 nan 0.000 0.259 145 P C 0.633 177.768 177.300 -0.275 0.000 1.530 145 P CA 0.146 63.033 63.100 -0.355 0.000 1.022 145 P CB -0.031 31.326 31.700 -0.571 0.000 1.514 146 S N 2.087 117.681 115.700 -0.177 0.000 3.762 146 S HA -0.260 4.209 4.470 -0.001 0.000 0.627 146 S C 1.140 175.729 174.600 -0.019 0.000 2.389 146 S CA 1.579 59.700 58.200 -0.131 0.000 3.978 146 S CB -1.875 61.161 63.200 -0.274 0.000 0.234 146 S HN 0.610 nan 8.310 nan 0.000 0.960 147 H N 2.169 121.209 119.070 -0.050 0.000 2.543 147 H HA 0.475 5.031 4.556 -0.001 0.000 0.269 147 H C 0.486 175.760 175.328 -0.089 0.000 1.005 147 H CA 0.540 56.551 56.048 -0.061 0.000 1.146 147 H CB -1.402 28.315 29.762 -0.075 0.000 1.353 147 H HN 0.314 nan 8.280 nan 0.000 0.595 148 N N 2.384 121.192 118.700 0.181 0.000 2.344 148 N HA 0.042 4.782 4.740 -0.001 0.000 0.236 148 N C -2.325 173.194 175.510 0.015 0.000 1.279 148 N CA -1.181 51.898 53.050 0.049 0.000 0.882 148 N CB 0.076 38.496 38.487 -0.111 0.000 1.110 148 N HN 0.238 nan 8.380 nan 0.000 0.436 149 P HA 0.019 nan 4.420 nan 0.000 0.270 149 P C -1.680 175.596 177.300 -0.040 0.000 1.221 149 P CA -0.592 62.450 63.100 -0.096 0.000 0.788 149 P CB 0.156 31.807 31.700 -0.082 0.000 0.904 150 P HA -0.194 nan 4.420 nan 0.000 0.221 150 P C 1.118 178.490 177.300 0.120 0.000 1.145 150 P CA 1.331 64.443 63.100 0.019 0.000 0.795 150 P CB -0.261 31.486 31.700 0.078 0.000 0.775 151 E N -0.910 119.315 120.200 0.042 0.000 2.481 151 E HA -0.024 4.325 4.350 -0.001 0.000 0.195 151 E C -0.178 176.404 176.600 -0.029 0.000 1.047 151 E CA 0.578 56.992 56.400 0.025 0.000 0.867 151 E CB -0.506 29.200 29.700 0.010 0.000 0.858 151 E HN 0.183 nan 8.360 nan 0.000 0.513 152 D N 0.672 121.023 120.400 -0.080 0.000 2.253 152 D HA 0.560 5.200 4.640 -0.001 0.000 0.249 152 D C -0.125 175.885 176.300 -0.483 0.000 1.049 152 D CA 0.011 53.856 54.000 -0.259 0.000 0.929 152 D CB 1.605 42.237 40.800 -0.280 0.000 1.176 152 D HN 0.192 nan 8.370 nan 0.000 0.437 153 G N -1.277 107.019 108.800 -0.840 0.000 2.658 153 G HA2 0.728 4.688 3.960 -0.001 0.000 0.292 153 G HA3 0.728 4.688 3.960 -0.001 0.000 0.292 153 G C -0.779 173.382 174.900 -1.232 0.000 1.320 153 G CA -0.783 43.532 45.100 -1.308 0.000 0.933 153 G HN 0.532 nan 8.290 nan 0.000 0.476 154 G N -1.294 107.118 108.800 -0.647 0.000 2.692 154 G HA2 0.651 4.611 3.960 -0.001 0.000 0.291 154 G HA3 0.651 4.611 3.960 -0.001 0.000 0.291 154 G C -1.872 173.205 174.900 0.295 0.000 1.423 154 G CA -0.553 44.518 45.100 -0.048 0.000 0.843 154 G HN 1.093 nan 8.290 nan 0.000 0.486 155 I N 0.149 120.938 120.570 0.365 0.000 2.680 155 I HA 0.645 4.814 4.170 -0.001 0.000 0.291 155 I C -1.253 175.053 176.117 0.315 0.000 1.244 155 I CA -0.896 60.622 61.300 0.363 0.000 1.042 155 I CB 2.122 40.386 38.000 0.439 0.000 1.277 155 I HN 0.768 nan 8.210 nan 0.000 0.423 156 K N 5.366 125.910 120.400 0.240 0.000 2.509 156 K HA 0.449 4.769 4.320 -0.001 0.000 0.266 156 K C -2.233 174.545 176.600 0.298 0.000 0.987 156 K CA -0.805 55.562 56.287 0.133 0.000 0.868 156 K CB 2.350 34.820 32.500 -0.050 0.000 1.421 156 K HN 0.465 nan 8.250 nan 0.000 0.444 157 Y N 1.250 121.648 120.300 0.164 0.000 2.393 157 Y HA 0.477 5.026 4.550 -0.001 0.000 0.341 157 Y C -1.642 174.307 175.900 0.082 0.000 0.988 157 Y CA -1.026 57.184 58.100 0.183 0.000 1.078 157 Y CB 1.998 40.645 38.460 0.312 0.000 1.203 157 Y HN 0.772 nan 8.280 nan 0.000 0.453 158 N N 7.960 126.331 118.700 -0.549 0.000 2.483 158 N HA 0.438 5.177 4.740 -0.001 0.000 0.267 158 N C -2.884 172.163 175.510 -0.772 0.000 0.998 158 N CA -1.807 50.948 53.050 -0.492 0.000 0.918 158 N CB 2.026 40.382 38.487 -0.218 0.000 1.215 158 N HN 0.346 nan 8.380 nan 0.000 0.500 159 P HA 0.178 nan 4.420 nan 0.000 0.282 159 P C -1.662 175.508 177.300 -0.218 0.000 1.286 159 P CA -0.987 61.856 63.100 -0.429 0.000 0.777 159 P CB 0.378 31.951 31.700 -0.212 0.000 1.184 160 P HA -0.154 nan 4.420 nan 0.000 0.221 160 P C 0.733 177.976 177.300 -0.095 0.000 1.145 160 P CA 1.367 64.432 63.100 -0.059 0.000 0.795 160 P CB -0.588 31.101 31.700 -0.018 0.000 0.775 161 N N -0.942 117.618 118.700 -0.233 0.000 2.521 161 N HA 0.008 4.748 4.740 -0.001 0.000 0.188 161 N C 1.354 176.823 175.510 -0.067 0.000 1.146 161 N CA 1.033 53.850 53.050 -0.387 0.000 0.893 161 N CB -1.180 36.863 38.487 -0.740 0.000 0.975 161 N HN 0.184 nan 8.380 nan 0.000 0.451 162 G N -1.909 106.853 108.800 -0.063 0.000 2.234 162 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.260 162 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.260 162 G C 0.390 175.267 174.900 -0.039 0.000 0.987 162 G CA 0.286 45.365 45.100 -0.035 0.000 0.625 162 G HN 0.835 nan 8.290 nan 0.000 0.532 163 G N 0.300 109.079 108.800 -0.035 0.000 2.537 163 G HA2 0.718 4.678 3.960 -0.001 0.000 0.297 163 G HA3 0.718 4.678 3.960 -0.001 0.000 0.297 163 G C -2.213 172.650 174.900 -0.061 0.000 1.310 163 G CA -0.683 44.421 45.100 0.007 0.000 1.027 163 G HN 0.242 nan 8.290 nan 0.000 0.505 164 P HA 0.233 nan 4.420 nan 0.000 0.268 164 P C 0.033 177.280 177.300 -0.090 0.000 1.204 164 P CA 0.030 63.087 63.100 -0.070 0.000 0.768 164 P CB 0.719 32.392 31.700 -0.044 0.000 0.842 165 A N 3.118 125.888 122.820 -0.083 0.000 2.498 165 A HA 0.073 4.392 4.320 -0.001 0.000 0.239 165 A C 0.543 178.105 177.584 -0.037 0.000 1.068 165 A CA 0.220 52.246 52.037 -0.018 0.000 0.766 165 A CB -0.375 18.734 19.000 0.182 0.000 1.003 165 A HN 0.523 nan 8.150 nan 0.000 0.497 166 D N 0.366 120.738 120.400 -0.046 0.000 2.387 166 D HA 0.260 4.900 4.640 -0.001 0.000 0.251 166 D C 1.887 178.172 176.300 -0.026 0.000 1.141 166 D CA 0.636 54.585 54.000 -0.086 0.000 0.987 166 D CB 1.196 41.916 40.800 -0.133 0.000 1.116 166 D HN 0.615 nan 8.370 nan 0.000 0.491 167 T N -0.604 113.925 114.554 -0.042 0.000 2.822 167 T HA -0.233 4.116 4.350 -0.001 0.000 0.270 167 T C 1.384 176.100 174.700 0.028 0.000 1.064 167 T CA 1.507 63.610 62.100 0.005 0.000 1.131 167 T CB -0.363 68.502 68.868 -0.005 0.000 0.858 167 T HN 0.510 nan 8.240 nan 0.000 0.483 168 N N 1.569 120.275 118.700 0.011 0.000 2.272 168 N HA -0.096 4.644 4.740 -0.001 0.000 0.185 168 N C 1.653 177.190 175.510 0.044 0.000 1.014 168 N CA 1.417 54.480 53.050 0.021 0.000 0.870 168 N CB -0.738 37.754 38.487 0.007 0.000 0.975 168 N HN 0.482 nan 8.380 nan 0.000 0.433 169 V N 0.837 120.796 119.914 0.074 0.000 2.581 169 V HA -0.083 4.037 4.120 -0.001 0.000 0.240 169 V C 2.704 178.898 176.094 0.165 0.000 1.054 169 V CA 1.745 64.116 62.300 0.118 0.000 1.076 169 V CB -0.528 31.411 31.823 0.193 0.000 0.748 169 V HN 0.563 nan 8.190 nan 0.000 0.474 170 T N -0.890 113.791 114.554 0.213 0.000 2.788 170 T HA -0.261 4.089 4.350 -0.001 0.000 0.268 170 T C 1.836 176.706 174.700 0.284 0.000 1.044 170 T CA 1.830 64.152 62.100 0.369 0.000 1.139 170 T CB -0.244 68.757 68.868 0.223 0.000 0.867 170 T HN 0.263 nan 8.240 nan 0.000 0.454 171 K N 1.012 121.500 120.400 0.147 0.000 2.148 171 K HA 0.116 4.435 4.320 -0.001 0.000 0.204 171 K C 2.101 178.738 176.600 0.062 0.000 1.050 171 K CA 0.896 57.243 56.287 0.102 0.000 0.942 171 K CB -0.820 31.720 32.500 0.065 0.000 0.724 171 K HN 0.335 nan 8.250 nan 0.000 0.446 172 V N -0.196 119.744 119.914 0.043 0.000 2.358 172 V HA -0.190 3.930 4.120 -0.001 0.000 0.246 172 V C 2.193 178.259 176.094 -0.046 0.000 1.047 172 V CA 1.532 63.831 62.300 -0.001 0.000 1.035 172 V CB -0.256 31.563 31.823 -0.008 0.000 0.658 172 V HN 0.094 nan 8.190 nan 0.000 0.452 173 V N 0.110 119.986 119.914 -0.064 0.000 2.295 173 V HA -0.312 3.808 4.120 -0.001 0.000 0.246 173 V C 2.466 178.427 176.094 -0.221 0.000 1.049 173 V CA 2.443 64.604 62.300 -0.231 0.000 1.024 173 V CB -0.570 30.983 31.823 -0.448 0.000 0.648 173 V HN 0.705 nan 8.190 nan 0.000 0.447 174 E N 0.116 120.280 120.200 -0.061 0.000 2.038 174 E HA -0.299 4.051 4.350 -0.001 0.000 0.195 174 E C 1.902 178.487 176.600 -0.024 0.000 1.000 174 E CA 1.926 58.332 56.400 0.010 0.000 0.803 174 E CB -0.161 29.630 29.700 0.151 0.000 0.750 174 E HN 0.608 nan 8.360 nan 0.000 0.448 175 D N -0.082 120.310 120.400 -0.013 0.000 2.104 175 D HA -0.193 4.447 4.640 -0.001 0.000 0.194 175 D C 2.098 178.367 176.300 -0.051 0.000 0.994 175 D CA 1.153 55.140 54.000 -0.021 0.000 0.830 175 D CB -0.387 40.406 40.800 -0.011 0.000 0.959 175 D HN 0.056 nan 8.370 nan 0.000 0.452 176 R N 1.298 121.753 120.500 -0.075 0.000 2.080 176 R HA -0.079 4.261 4.340 -0.001 0.000 0.236 176 R C 2.037 178.267 176.300 -0.117 0.000 1.137 176 R CA 2.001 58.044 56.100 -0.096 0.000 0.943 176 R CB -1.024 29.207 30.300 -0.116 0.000 0.846 176 R HN 0.101 nan 8.270 nan 0.000 0.431 177 A N 0.766 123.496 122.820 -0.151 0.000 1.892 177 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 177 A C 1.944 179.452 177.584 -0.126 0.000 1.188 177 A CA 1.978 53.916 52.037 -0.166 0.000 0.631 177 A CB -0.743 18.129 19.000 -0.214 0.000 0.822 177 A HN 0.501 nan 8.150 nan 0.000 0.447 178 N N 0.193 118.839 118.700 -0.090 0.000 2.188 178 N HA -0.070 4.670 4.740 -0.001 0.000 0.184 178 N C 1.910 177.381 175.510 -0.066 0.000 1.018 178 N CA 1.382 54.392 53.050 -0.066 0.000 0.858 178 N CB -0.558 37.912 38.487 -0.028 0.000 0.989 178 N HN 0.482 nan 8.380 nan 0.000 0.426 179 A N 1.521 124.303 122.820 -0.064 0.000 1.908 179 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 179 A C 2.394 179.936 177.584 -0.070 0.000 1.181 179 A CA 1.015 53.017 52.037 -0.059 0.000 0.627 179 A CB -0.803 18.164 19.000 -0.055 0.000 0.818 179 A HN 0.206 nan 8.150 nan 0.000 0.445 180 L N -0.734 120.436 121.223 -0.088 0.000 2.046 180 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 180 L C 2.600 179.408 176.870 -0.102 0.000 1.077 180 L CA 1.105 55.888 54.840 -0.096 0.000 0.747 180 L CB -0.524 41.467 42.059 -0.112 0.000 0.896 180 L HN 0.383 nan 8.230 nan 0.000 0.432 181 L N -0.489 120.663 121.223 -0.118 0.000 2.017 181 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 181 L C 2.853 179.667 176.870 -0.093 0.000 1.073 181 L CA 1.233 55.995 54.840 -0.130 0.000 0.745 181 L CB -0.732 41.230 42.059 -0.160 0.000 0.894 181 L HN 0.255 nan 8.230 nan 0.000 0.432 182 A N 0.022 122.799 122.820 -0.072 0.000 2.019 182 A HA -0.107 4.213 4.320 -0.001 0.000 0.219 182 A C 2.067 179.621 177.584 -0.050 0.000 1.164 182 A CA 1.606 53.611 52.037 -0.053 0.000 0.644 182 A CB -0.908 18.067 19.000 -0.042 0.000 0.805 182 A HN 0.462 nan 8.150 nan 0.000 0.449 183 G N -1.652 107.115 108.800 -0.055 0.000 3.314 183 G HA2 0.394 4.354 3.960 -0.001 0.000 0.238 183 G HA3 0.394 4.354 3.960 -0.001 0.000 0.238 183 G C 1.026 175.894 174.900 -0.053 0.000 1.184 183 G CA 0.450 45.520 45.100 -0.050 0.000 0.806 183 G HN 1.490 nan 8.290 nan 0.000 0.536 184 G N 0.665 109.429 108.800 -0.060 0.000 2.283 184 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.280 184 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.280 184 G C 0.866 175.726 174.900 -0.066 0.000 1.029 184 G CA 0.258 45.321 45.100 -0.061 0.000 0.840 184 G HN 1.257 nan 8.290 nan 0.000 0.505 185 L N -2.695 118.481 121.223 -0.078 0.000 4.291 185 L HA -0.310 4.030 4.340 -0.001 0.000 0.413 185 L C 2.222 179.052 176.870 -0.065 0.000 1.162 185 L CA 1.252 56.044 54.840 -0.081 0.000 0.961 185 L CB -1.817 40.191 42.059 -0.086 0.000 2.095 185 L HN 0.510 nan 8.230 nan 0.000 0.838 186 Q N 1.435 121.201 119.800 -0.057 0.000 2.062 186 Q HA -0.198 4.142 4.340 -0.001 0.000 0.209 186 Q C 1.888 177.858 176.000 -0.049 0.000 0.996 186 Q CA 2.622 58.396 55.803 -0.047 0.000 0.859 186 Q CB -0.163 28.549 28.738 -0.043 0.000 0.920 186 Q HN 0.692 nan 8.270 nan 0.000 0.415 187 G N -0.120 108.647 108.800 -0.055 0.000 2.920 187 G HA2 0.173 4.133 3.960 -0.001 0.000 0.208 187 G HA3 0.173 4.133 3.960 -0.001 0.000 0.208 187 G C 0.204 175.065 174.900 -0.064 0.000 1.159 187 G CA -0.099 44.967 45.100 -0.057 0.000 0.784 187 G HN 0.151 nan 8.290 nan 0.000 0.535 188 V N 1.940 121.814 119.914 -0.068 0.000 2.521 188 V HA 0.180 4.299 4.120 -0.001 0.000 0.286 188 V C -0.177 175.881 176.094 -0.060 0.000 1.034 188 V CA -0.416 61.841 62.300 -0.072 0.000 1.045 188 V CB 1.082 32.859 31.823 -0.077 0.000 0.974 188 V HN 0.093 nan 8.190 nan 0.000 0.480 189 K N 6.497 126.859 120.400 -0.062 0.000 2.201 189 K HA 0.586 4.905 4.320 -0.001 0.000 0.278 189 K C -0.061 176.508 176.600 -0.051 0.000 1.027 189 K CA -0.315 55.940 56.287 -0.054 0.000 0.909 189 K CB 1.398 33.864 32.500 -0.057 0.000 1.062 189 K HN 0.891 nan 8.250 nan 0.000 0.465 190 R N 1.889 122.365 120.500 -0.039 0.000 2.668 190 R HA 0.645 4.985 4.340 -0.001 0.000 0.272 190 R C -0.408 175.879 176.300 -0.022 0.000 1.019 190 R CA -0.879 55.202 56.100 -0.033 0.000 0.894 190 R CB 1.122 31.406 30.300 -0.027 0.000 1.228 190 R HN 0.591 nan 8.270 nan 0.000 0.460 191 I N -1.375 119.184 120.570 -0.019 0.000 3.002 191 I HA 0.555 4.725 4.170 -0.001 0.000 0.310 191 I C 0.194 176.305 176.117 -0.009 0.000 1.087 191 I CA -1.201 60.092 61.300 -0.011 0.000 1.017 191 I CB 2.340 40.337 38.000 -0.005 0.000 1.226 191 I HN 0.873 nan 8.210 nan 0.000 0.443 192 S N 2.424 118.121 115.700 -0.006 0.000 2.580 192 S HA 0.055 4.525 4.470 -0.001 0.000 0.266 192 S C 0.890 175.484 174.600 -0.010 0.000 1.354 192 S CA -0.471 57.727 58.200 -0.005 0.000 1.008 192 S CB 1.096 64.292 63.200 -0.006 0.000 0.898 192 S HN 0.766 nan 8.310 nan 0.000 0.555 193 L N 0.939 122.157 121.223 -0.009 0.000 2.012 193 L HA -0.087 4.253 4.340 -0.001 0.000 0.210 193 L C 1.855 178.715 176.870 -0.017 0.000 1.073 193 L CA 2.101 56.930 54.840 -0.018 0.000 0.748 193 L CB -1.290 40.763 42.059 -0.011 0.000 0.891 193 L HN 0.772 nan 8.230 nan 0.000 0.431 194 D N -0.068 120.326 120.400 -0.011 0.000 2.104 194 D HA -0.188 4.452 4.640 -0.001 0.000 0.194 194 D C 2.189 178.482 176.300 -0.011 0.000 0.994 194 D CA 1.672 55.666 54.000 -0.010 0.000 0.830 194 D CB -0.275 40.519 40.800 -0.009 0.000 0.959 194 D HN 0.515 nan 8.370 nan 0.000 0.452 195 A N 1.144 123.959 122.820 -0.009 0.000 1.933 195 A HA 0.119 4.439 4.320 -0.001 0.000 0.218 195 A C 1.577 179.160 177.584 -0.002 0.000 1.175 195 A CA 1.360 53.393 52.037 -0.006 0.000 0.628 195 A CB -0.623 18.375 19.000 -0.003 0.000 0.814 195 A HN 0.280 nan 8.150 nan 0.000 0.444 199 S N -0.400 115.276 115.700 -0.040 0.000 2.481 199 S HA 0.324 4.794 4.470 -0.001 0.000 0.231 199 S C 1.877 176.359 174.600 -0.197 0.000 0.996 199 S CA 1.677 59.830 58.200 -0.078 0.000 0.942 199 S CB -0.212 62.995 63.200 0.013 0.000 0.768 199 S HN 2.351 nan 8.310 nan 0.000 0.520 200 G N 0.732 109.445 108.800 -0.146 0.000 2.179 200 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.260 200 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.260 200 G C 0.619 175.400 174.900 -0.199 0.000 0.977 200 G CA 0.506 45.501 45.100 -0.175 0.000 0.641 200 G HN 0.605 nan 8.290 nan 0.000 0.533 201 H N -0.594 118.455 119.070 -0.036 0.000 2.535 201 H HA 0.297 4.853 4.556 -0.000 0.000 0.273 201 H C 0.979 176.274 175.328 -0.056 0.000 0.983 201 H CA 1.164 57.185 56.048 -0.045 0.000 1.238 201 H CB 0.478 30.212 29.762 -0.048 0.000 1.412 201 H HN 0.314 nan 8.280 nan 0.000 0.562 202 V N 3.122 123.061 119.914 0.043 0.000 2.357 202 V HA 0.208 4.328 4.120 -0.001 0.000 0.284 202 V C 0.005 176.096 176.094 -0.005 0.000 1.018 202 V CA -0.821 61.481 62.300 0.004 0.000 0.841 202 V CB 1.821 33.636 31.823 -0.014 0.000 0.991 202 V HN 0.007 nan 8.190 nan 0.000 0.437 203 K N 3.576 123.968 120.400 -0.012 0.000 2.244 203 K HA 0.786 5.106 4.320 -0.001 0.000 0.260 203 K C -0.267 176.338 176.600 0.008 0.000 0.951 203 K CA -0.369 55.914 56.287 -0.007 0.000 0.826 203 K CB 2.400 34.890 32.500 -0.016 0.000 1.108 203 K HN 0.706 nan 8.250 nan 0.000 0.433 204 A N 2.487 125.319 122.820 0.019 0.000 2.276 204 A HA 0.644 4.964 4.320 -0.001 0.000 0.316 204 A C -0.017 177.584 177.584 0.028 0.000 1.229 204 A CA -0.590 51.466 52.037 0.032 0.000 0.851 204 A CB 0.467 19.484 19.000 0.029 0.000 1.165 204 A HN 0.523 nan 8.150 nan 0.000 0.513 205 V N -0.448 119.490 119.914 0.040 0.000 3.167 205 V HA 0.713 4.832 4.120 -0.001 0.000 0.310 205 V C -0.889 175.224 176.094 0.031 0.000 1.207 205 V CA -0.959 61.366 62.300 0.042 0.000 1.059 205 V CB 1.948 33.814 31.823 0.072 0.000 1.079 205 V HN 0.715 nan 8.190 nan 0.000 0.446 206 D N 0.646 121.057 120.400 0.020 0.000 2.380 206 D HA 0.408 5.048 4.640 -0.001 0.000 0.230 206 D C 0.727 177.033 176.300 0.010 0.000 1.154 206 D CA -0.078 53.918 54.000 -0.006 0.000 0.859 206 D CB 0.875 41.658 40.800 -0.029 0.000 1.045 206 D HN 0.606 nan 8.370 nan 0.000 0.495 207 L N 3.117 124.352 121.223 0.020 0.000 2.418 207 L HA -0.010 4.330 4.340 -0.001 0.000 0.218 207 L C 2.058 178.929 176.870 0.002 0.000 1.125 207 L CA 0.029 54.902 54.840 0.055 0.000 0.835 207 L CB 0.053 42.176 42.059 0.106 0.000 0.953 207 L HN 0.335 nan 8.230 nan 0.000 0.454 208 V N -0.425 119.380 119.914 -0.181 0.000 2.244 208 V HA -0.284 3.836 4.120 -0.001 0.000 0.244 208 V C 2.452 178.412 176.094 -0.222 0.000 1.042 208 V CA 1.690 63.678 62.300 -0.521 0.000 1.006 208 V CB -0.459 30.946 31.823 -0.696 0.000 0.641 208 V HN 0.364 nan 8.190 nan 0.000 0.446 209 Q N 0.618 120.329 119.800 -0.147 0.000 2.045 209 Q HA -0.160 4.179 4.340 -0.001 0.000 0.206 209 Q C -0.012 175.966 176.000 -0.037 0.000 0.991 209 Q CA 2.730 58.467 55.803 -0.109 0.000 0.851 209 Q CB -1.537 27.143 28.738 -0.096 0.000 0.911 209 Q HN 0.521 nan 8.270 nan 0.000 0.418 210 P HA -0.151 nan 4.420 nan 0.000 0.217 210 P C 1.093 178.477 177.300 0.140 0.000 1.150 210 P CA 1.078 64.212 63.100 0.056 0.000 0.832 210 P CB -0.297 31.431 31.700 0.047 0.000 0.787 211 F N 0.979 120.962 119.950 0.055 0.000 2.075 211 F HA -0.193 4.333 4.527 -0.001 0.000 0.297 211 F C 2.189 178.179 175.800 0.317 0.000 1.113 211 F CA 1.455 59.579 58.000 0.207 0.000 1.218 211 F CB -0.739 38.424 39.000 0.271 0.000 0.984 211 F HN -0.328 nan 8.300 nan 0.000 0.472 212 V N 0.489 120.643 119.914 0.399 0.000 2.295 212 V HA -0.301 3.818 4.120 -0.001 0.000 0.246 212 V C 2.181 178.398 176.094 0.205 0.000 1.049 212 V CA 2.350 64.826 62.300 0.294 0.000 1.024 212 V CB -0.714 31.185 31.823 0.127 0.000 0.648 212 V HN 0.364 nan 8.190 nan 0.000 0.447 213 E N 0.199 120.406 120.200 0.011 0.000 2.153 213 E HA -0.147 4.203 4.350 -0.001 0.000 0.194 213 E C 2.249 178.963 176.600 0.191 0.000 0.988 213 E CA 1.126 57.532 56.400 0.010 0.000 0.811 213 E CB -0.402 29.243 29.700 -0.091 0.000 0.746 213 E HN 0.658 nan 8.360 nan 0.000 0.466 214 G N 0.798 109.728 108.800 0.216 0.000 2.534 214 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.217 214 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.217 214 G C 1.490 176.428 174.900 0.063 0.000 1.128 214 G CA 0.014 45.293 45.100 0.299 0.000 0.784 214 G HN 0.098 nan 8.290 nan 0.000 0.542 215 L N 0.662 121.827 121.223 -0.097 0.000 2.127 215 L HA -0.113 4.227 4.340 -0.001 0.000 0.211 215 L C 3.257 179.974 176.870 -0.256 0.000 1.089 215 L CA 0.869 55.433 54.840 -0.461 0.000 0.757 215 L CB -0.274 41.625 42.059 -0.267 0.000 0.899 215 L HN 0.299 nan 8.230 nan 0.000 0.434 216 A N -0.787 122.055 122.820 0.037 0.000 2.131 216 A HA -0.204 4.115 4.320 -0.001 0.000 0.220 216 A C 1.640 179.351 177.584 0.210 0.000 1.158 216 A CA 1.656 53.775 52.037 0.137 0.000 0.665 216 A CB -0.342 18.824 19.000 0.276 0.000 0.795 216 A HN 0.375 nan 8.150 nan 0.000 0.460 217 D N -1.539 118.931 120.400 0.118 0.000 2.349 217 D HA 0.199 4.838 4.640 -0.001 0.000 0.214 217 D C 1.145 177.481 176.300 0.060 0.000 1.063 217 D CA 0.347 54.487 54.000 0.232 0.000 0.847 217 D CB 0.584 41.501 40.800 0.194 0.000 0.933 217 D HN 0.613 nan 8.370 nan 0.000 0.513 218 I N -1.055 119.307 120.570 -0.348 0.000 4.578 218 I HA 0.058 4.227 4.170 -0.001 0.000 0.312 218 I C -0.558 175.077 176.117 -0.804 0.000 1.224 218 I CA 0.209 61.081 61.300 -0.714 0.000 1.318 218 I CB 1.129 38.599 38.000 -0.883 0.000 1.388 218 I HN -0.369 nan 8.210 nan 0.000 0.461 219 V N 1.994 121.657 119.914 -0.419 0.000 2.769 219 V HA 0.406 4.526 4.120 -0.001 0.000 0.312 219 V C -0.619 175.575 176.094 0.166 0.000 1.061 219 V CA -0.742 61.469 62.300 -0.149 0.000 0.931 219 V CB 1.700 33.441 31.823 -0.137 0.000 1.010 219 V HN 0.106 nan 8.190 nan 0.000 0.433 223 A N 0.650 123.488 122.820 0.029 0.000 1.902 223 A HA 0.044 4.363 4.320 -0.001 0.000 0.217 223 A C 1.926 179.527 177.584 0.028 0.000 1.181 223 A CA 1.782 53.836 52.037 0.029 0.000 0.623 223 A CB -0.695 18.326 19.000 0.035 0.000 0.818 223 A HN 0.604 nan 8.150 nan 0.000 0.443 224 I N -0.804 119.781 120.570 0.025 0.000 2.315 224 I HA -0.279 3.891 4.170 -0.001 0.000 0.248 224 I C 2.777 178.922 176.117 0.047 0.000 1.117 224 I CA 1.306 62.624 61.300 0.030 0.000 1.404 224 I CB -0.402 37.612 38.000 0.022 0.000 1.071 224 I HN 0.423 nan 8.210 nan 0.000 0.419 225 Q N 0.749 120.581 119.800 0.054 0.000 2.050 225 Q HA -0.271 4.069 4.340 -0.001 0.000 0.202 225 Q C 2.256 178.288 176.000 0.052 0.000 0.980 225 Q CA 1.710 57.554 55.803 0.069 0.000 0.840 225 Q CB -0.167 28.622 28.738 0.085 0.000 0.898 225 Q HN 0.373 nan 8.270 nan 0.000 0.424 226 K N 0.333 120.759 120.400 0.042 0.000 2.147 226 K HA -0.122 4.198 4.320 -0.001 0.000 0.205 226 K C 1.870 178.489 176.600 0.032 0.000 1.049 226 K CA 1.141 57.448 56.287 0.034 0.000 0.936 226 K CB -0.093 32.424 32.500 0.028 0.000 0.722 226 K HN 0.167 nan 8.250 nan 0.000 0.446 227 A N 0.740 123.580 122.820 0.033 0.000 2.066 227 A HA 0.098 4.417 4.320 -0.001 0.000 0.218 227 A C 1.369 178.973 177.584 0.033 0.000 1.157 227 A CA 0.961 53.016 52.037 0.031 0.000 0.670 227 A CB -0.801 18.217 19.000 0.030 0.000 0.804 227 A HN 0.545 nan 8.150 nan 0.000 0.453 228 G N -0.368 108.456 108.800 0.039 0.000 2.371 228 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.299 228 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.299 228 G C -0.017 174.908 174.900 0.041 0.000 1.014 228 G CA 0.514 45.639 45.100 0.041 0.000 1.097 228 G HN 0.496 nan 8.290 nan 0.000 0.512 229 L N -0.338 120.913 121.223 0.046 0.000 2.453 229 L HA 0.443 4.783 4.340 -0.001 0.000 0.261 229 L C 1.037 177.940 176.870 0.056 0.000 1.179 229 L CA -0.408 54.461 54.840 0.047 0.000 0.813 229 L CB 0.843 42.931 42.059 0.049 0.000 1.110 229 L HN 0.156 nan 8.230 nan 0.000 0.466 230 T N 3.520 118.113 114.554 0.065 0.000 2.762 230 T HA 0.503 4.853 4.350 -0.001 0.000 0.303 230 T C -0.141 174.651 174.700 0.152 0.000 0.977 230 T CA -0.310 61.854 62.100 0.106 0.000 0.961 230 T CB -0.043 68.876 68.868 0.086 0.000 0.944 230 T HN 0.230 nan 8.240 nan 0.000 0.481 231 L N 2.680 123.943 121.223 0.065 0.000 2.329 231 L HA 0.803 5.143 4.340 -0.001 0.000 0.279 231 L C 0.740 177.301 176.870 -0.514 0.000 1.014 231 L CA -0.923 53.805 54.840 -0.187 0.000 0.814 231 L CB 1.820 43.784 42.059 -0.158 0.000 1.257 231 L HN 0.665 nan 8.230 nan 0.000 0.424 232 G N 1.175 109.228 108.800 -1.245 0.000 2.481 232 G HA2 0.645 4.604 3.960 -0.001 0.000 0.315 232 G HA3 0.645 4.604 3.960 -0.001 0.000 0.315 232 G C -1.832 172.242 174.900 -1.377 0.000 1.231 232 G CA -0.544 43.472 45.100 -1.806 0.000 0.968 232 G HN 0.382 nan 8.290 nan 0.000 0.482 233 V N 0.750 120.082 119.914 -0.971 0.000 2.851 233 V HA 0.592 4.711 4.120 -0.001 0.000 0.307 233 V C -1.771 174.058 176.094 -0.443 0.000 1.129 233 V CA -0.904 60.903 62.300 -0.821 0.000 0.932 233 V CB 2.286 33.517 31.823 -0.987 0.000 1.024 233 V HN 0.709 nan 8.190 nan 0.000 0.426 234 D N 7.556 127.778 120.400 -0.296 0.000 2.454 234 D HA 0.490 5.129 4.640 -0.001 0.000 0.225 234 D C -1.817 174.476 176.300 -0.012 0.000 1.081 234 D CA -2.033 51.895 54.000 -0.122 0.000 0.864 234 D CB 2.269 43.031 40.800 -0.063 0.000 1.040 234 D HN 0.383 nan 8.370 nan 0.000 0.517 235 P HA -0.040 nan 4.420 nan 0.000 0.231 235 P C 0.799 178.280 177.300 0.302 0.000 1.158 235 P CA 0.209 63.500 63.100 0.319 0.000 0.763 235 P CB -0.012 31.886 31.700 0.330 0.000 0.805 236 L N -2.381 118.961 121.223 0.199 0.000 3.858 236 L HA -0.271 4.069 4.340 -0.001 0.000 0.425 236 L C 1.146 178.316 176.870 0.499 0.000 1.177 236 L CA 0.482 55.534 54.840 0.353 0.000 0.943 236 L CB -2.676 39.546 42.059 0.271 0.000 1.861 236 L HN 0.356 nan 8.230 nan 0.000 0.985 237 G N -1.244 107.710 108.800 0.258 0.000 2.179 237 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.257 237 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.257 237 G C 0.604 175.613 174.900 0.182 0.000 1.010 237 G CA 0.459 45.674 45.100 0.193 0.000 0.736 237 G HN 0.999 nan 8.290 nan 0.000 0.513 238 G N -0.914 108.054 108.800 0.281 0.000 2.537 238 G HA2 0.632 4.592 3.960 -0.001 0.000 0.297 238 G HA3 0.632 4.592 3.960 -0.001 0.000 0.297 238 G C 1.272 176.146 174.900 -0.042 0.000 1.310 238 G CA 0.756 46.031 45.100 0.292 0.000 1.027 238 G HN 1.172 nan 8.290 nan 0.000 0.505 239 S N -1.657 113.960 115.700 -0.137 0.000 2.474 239 S HA 0.024 4.494 4.470 -0.001 0.000 0.235 239 S C 1.836 176.135 174.600 -0.503 0.000 0.997 239 S CA 1.059 59.113 58.200 -0.244 0.000 0.949 239 S CB 0.055 63.182 63.200 -0.121 0.000 0.766 239 S HN 0.897 nan 8.310 nan 0.000 0.517 240 G N 0.708 108.723 108.800 -1.309 0.000 3.337 240 G HA2 0.322 4.282 3.960 -0.001 0.000 0.246 240 G HA3 0.322 4.282 3.960 -0.001 0.000 0.246 240 G C 0.847 175.476 174.900 -0.452 0.000 1.131 240 G CA -0.079 44.247 45.100 -1.290 0.000 0.773 240 G HN 0.511 nan 8.290 nan 0.000 0.544 241 I N -0.094 120.373 120.570 -0.171 0.000 2.194 241 I HA -0.180 3.990 4.170 -0.001 0.000 0.246 241 I C 2.169 178.388 176.117 0.169 0.000 1.093 241 I CA 1.443 62.821 61.300 0.130 0.000 1.355 241 I CB 0.307 38.353 38.000 0.076 0.000 1.046 241 I HN 0.058 nan 8.210 nan 0.000 0.413 242 E N -0.002 120.274 120.200 0.127 0.000 2.274 242 E HA -0.182 4.168 4.350 -0.001 0.000 0.194 242 E C 1.948 178.581 176.600 0.056 0.000 0.996 242 E CA 1.005 57.460 56.400 0.092 0.000 0.840 242 E CB -0.248 29.478 29.700 0.043 0.000 0.772 242 E HN 0.640 nan 8.360 nan 0.000 0.491 243 Y N -0.698 119.537 120.300 -0.107 0.000 2.220 243 Y HA -0.155 4.395 4.550 -0.001 0.000 0.291 243 Y C 2.192 178.062 175.900 -0.050 0.000 1.129 243 Y CA 0.841 58.850 58.100 -0.152 0.000 1.161 243 Y CB -0.736 37.497 38.460 -0.379 0.000 0.997 243 Y HN 0.108 nan 8.280 nan 0.000 0.522 244 W N 0.729 122.195 121.300 0.277 0.000 2.358 244 W HA -0.200 4.460 4.660 -0.000 0.000 0.303 244 W C 2.348 178.978 176.519 0.184 0.000 1.208 244 W CA 1.199 58.695 57.345 0.253 0.000 1.274 244 W CB -0.238 29.374 29.460 0.253 0.000 1.138 244 W HN -0.084 nan 8.180 nan 0.000 0.515 245 K N 0.078 120.691 120.400 0.355 0.000 2.032 245 K HA -0.195 4.124 4.320 -0.001 0.000 0.209 245 K C 2.017 178.732 176.600 0.192 0.000 1.048 245 K CA 1.448 57.869 56.287 0.223 0.000 0.927 245 K CB -0.413 32.171 32.500 0.141 0.000 0.712 245 K HN 0.130 nan 8.250 nan 0.000 0.441 246 R N 0.589 121.178 120.500 0.148 0.000 2.148 246 R HA 0.025 4.365 4.340 -0.001 0.000 0.223 246 R C 2.265 178.694 176.300 0.215 0.000 1.088 246 R CA 0.671 56.840 56.100 0.115 0.000 0.985 246 R CB -0.084 30.214 30.300 -0.004 0.000 0.880 246 R HN 0.186 nan 8.270 nan 0.000 0.451 247 I N 0.199 120.953 120.570 0.307 0.000 2.202 247 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 247 I C 2.527 178.920 176.117 0.461 0.000 1.091 247 I CA 1.217 62.801 61.300 0.473 0.000 1.368 247 I CB -0.364 37.918 38.000 0.470 0.000 1.058 247 I HN 0.170 nan 8.210 nan 0.000 0.410 248 A N 0.587 123.634 122.820 0.378 0.000 1.892 248 A HA -0.264 4.056 4.320 -0.001 0.000 0.218 248 A C 2.200 179.910 177.584 0.211 0.000 1.188 248 A CA 2.060 54.266 52.037 0.280 0.000 0.631 248 A CB -0.641 18.492 19.000 0.221 0.000 0.822 248 A HN 0.474 nan 8.150 nan 0.000 0.447 249 E N -1.823 118.485 120.200 0.180 0.000 2.016 249 E HA -0.166 4.183 4.350 -0.001 0.000 0.190 249 E C 2.076 178.727 176.600 0.084 0.000 0.985 249 E CA 1.193 57.663 56.400 0.117 0.000 0.802 249 E CB -0.327 29.432 29.700 0.098 0.000 0.762 249 E HN 0.822 nan 8.360 nan 0.000 0.448 250 H N -0.375 118.686 119.070 -0.015 0.000 2.352 250 H HA -0.166 4.389 4.556 -0.001 0.000 0.299 250 H C 1.049 176.206 175.328 -0.284 0.000 1.097 250 H CA 1.708 57.642 56.048 -0.190 0.000 1.311 250 H CB -0.033 29.540 29.762 -0.314 0.000 1.377 250 H HN 0.169 nan 8.280 nan 0.000 0.504 251 Y N 0.281 120.608 120.300 0.044 0.000 2.466 251 Y HA 0.202 4.752 4.550 -0.000 0.000 0.272 251 Y C 0.489 176.399 175.900 0.016 0.000 1.169 251 Y CA 0.065 58.167 58.100 0.003 0.000 1.285 251 Y CB 0.252 38.774 38.460 0.104 0.000 1.078 251 Y HN 0.034 nan 8.280 nan 0.000 0.523 252 K N 0.656 121.122 120.400 0.111 0.000 3.150 252 K HA -0.203 4.116 4.320 -0.001 0.000 0.267 252 K C -0.837 175.834 176.600 0.117 0.000 1.028 252 K CA 0.223 56.562 56.287 0.086 0.000 0.753 252 K CB -1.920 30.604 32.500 0.040 0.000 1.288 252 K HN 0.322 nan 8.250 nan 0.000 0.473 253 L N 0.329 121.646 121.223 0.157 0.000 2.379 253 L HA 0.216 4.555 4.340 -0.001 0.000 0.269 253 L C 1.085 178.020 176.870 0.109 0.000 1.084 253 L CA -0.888 54.039 54.840 0.145 0.000 0.802 253 L CB 0.721 42.895 42.059 0.191 0.000 1.175 253 L HN 0.092 nan 8.230 nan 0.000 0.448 254 N N 3.122 121.875 118.700 0.088 0.000 2.971 254 N HA 0.145 4.884 4.740 -0.001 0.000 0.294 254 N C -1.309 174.237 175.510 0.060 0.000 1.210 254 N CA -0.148 52.945 53.050 0.071 0.000 1.157 254 N CB -0.298 38.227 38.487 0.063 0.000 1.450 254 N HN 0.316 nan 8.380 nan 0.000 0.527 255 L N 1.660 122.916 121.223 0.056 0.000 2.372 255 L HA 0.529 4.869 4.340 -0.001 0.000 0.274 255 L C -0.739 176.119 176.870 -0.020 0.000 0.988 255 L CA -0.304 54.533 54.840 -0.004 0.000 0.833 255 L CB 1.641 43.740 42.059 0.066 0.000 1.236 255 L HN 0.074 nan 8.230 nan 0.000 0.410 256 T N 5.924 120.422 114.554 -0.094 0.000 2.771 256 T HA 0.522 4.872 4.350 -0.001 0.000 0.281 256 T C -0.285 174.317 174.700 -0.163 0.000 0.982 256 T CA -0.337 61.730 62.100 -0.055 0.000 0.978 256 T CB 0.905 69.821 68.868 0.080 0.000 0.930 256 T HN 0.323 nan 8.240 nan 0.000 0.447 257 L N 4.362 125.536 121.223 -0.082 0.000 2.369 257 L HA 0.145 4.484 4.340 -0.001 0.000 0.279 257 L C 1.671 178.496 176.870 -0.075 0.000 1.108 257 L CA 0.164 54.946 54.840 -0.096 0.000 0.852 257 L CB 0.767 42.815 42.059 -0.019 0.000 1.169 257 L HN 0.657 nan 8.230 nan 0.000 0.452 258 V N 0.788 120.638 119.914 -0.106 0.000 3.041 258 V HA 0.109 4.229 4.120 -0.001 0.000 0.260 258 V C 0.507 176.578 176.094 -0.039 0.000 1.105 258 V CA 1.006 63.285 62.300 -0.034 0.000 1.125 258 V CB -1.028 30.785 31.823 -0.016 0.000 0.730 258 V HN 0.979 nan 8.190 nan 0.000 0.479 259 N N -0.165 118.488 118.700 -0.078 0.000 2.367 259 N HA 0.315 5.054 4.740 -0.001 0.000 0.278 259 N C -0.768 174.654 175.510 -0.148 0.000 1.117 259 N CA 0.022 53.001 53.050 -0.118 0.000 0.867 259 N CB 1.635 40.026 38.487 -0.161 0.000 1.649 259 N HN 0.142 nan 8.380 nan 0.000 0.479 260 D N 0.435 120.746 120.400 -0.150 0.000 2.501 260 D HA 0.050 4.690 4.640 -0.001 0.000 0.226 260 D C -0.616 175.568 176.300 -0.194 0.000 1.198 260 D CA -0.087 53.839 54.000 -0.124 0.000 0.830 260 D CB 0.056 40.821 40.800 -0.058 0.000 1.014 260 D HN 0.449 nan 8.370 nan 0.000 0.496 261 Q N 0.674 120.257 119.800 -0.361 0.000 2.289 261 Q HA 0.223 4.562 4.340 -0.001 0.000 0.273 261 Q C -0.308 175.444 176.000 -0.413 0.000 1.029 261 Q CA 0.017 55.554 55.803 -0.444 0.000 0.896 261 Q CB 2.209 30.475 28.738 -0.787 0.000 1.182 261 Q HN 0.078 nan 8.270 nan 0.000 0.385 262 V N 3.700 123.477 119.914 -0.228 0.000 2.350 262 V HA 0.302 4.422 4.120 -0.001 0.000 0.285 262 V C -0.416 175.575 176.094 -0.171 0.000 1.014 262 V CA -0.630 61.540 62.300 -0.216 0.000 0.831 262 V CB 1.765 33.483 31.823 -0.175 0.000 1.000 262 V HN 0.629 nan 8.190 nan 0.000 0.433 263 D N 3.168 123.424 120.400 -0.240 0.000 2.763 263 D HA 0.260 4.900 4.640 -0.001 0.000 0.235 263 D C 0.474 176.479 176.300 -0.491 0.000 1.334 263 D CA -0.426 53.452 54.000 -0.204 0.000 0.950 263 D CB 2.405 43.210 40.800 0.009 0.000 1.433 263 D HN 0.495 nan 8.370 nan 0.000 0.580 264 Q N 0.809 120.436 119.800 -0.289 0.000 2.500 264 Q HA -0.032 4.308 4.340 -0.001 0.000 0.213 264 Q C 1.550 177.528 176.000 -0.037 0.000 0.974 264 Q CA 1.232 56.912 55.803 -0.205 0.000 0.918 264 Q CB 0.273 28.992 28.738 -0.032 0.000 0.980 264 Q HN 0.591 nan 8.270 nan 0.000 0.505 265 T N -3.645 110.869 114.554 -0.067 0.000 3.081 265 T HA 0.025 4.375 4.350 -0.001 0.000 0.250 265 T C 0.445 175.180 174.700 0.059 0.000 1.100 265 T CA -0.319 61.799 62.100 0.030 0.000 1.038 265 T CB -0.225 68.638 68.868 -0.008 0.000 0.962 265 T HN 0.258 nan 8.240 nan 0.000 0.516 266 F N 1.795 121.600 119.950 -0.242 0.000 3.090 266 F HA -0.287 4.240 4.527 -0.001 0.000 0.282 266 F C 1.648 176.989 175.800 -0.765 0.000 0.923 266 F CA 0.579 58.209 58.000 -0.617 0.000 0.977 266 F CB -1.881 36.804 39.000 -0.524 0.000 0.954 266 F HN 0.369 nan 8.300 nan 0.000 0.695 267 R N 0.821 121.132 120.500 -0.316 0.000 2.193 267 R HA -0.097 4.243 4.340 -0.001 0.000 0.229 267 R C 1.241 177.425 176.300 -0.194 0.000 1.110 267 R CA 1.322 57.314 56.100 -0.181 0.000 0.988 267 R CB -0.607 29.664 30.300 -0.049 0.000 0.871 267 R HN 0.395 nan 8.270 nan 0.000 0.458 271 L N 1.823 123.058 121.223 0.019 0.000 2.456 271 L HA 0.052 4.391 4.340 -0.001 0.000 0.272 271 L C 0.914 177.757 176.870 -0.045 0.000 1.189 271 L CA 0.149 54.956 54.840 -0.055 0.000 0.846 271 L CB 0.135 42.137 42.059 -0.095 0.000 1.111 271 L HN 0.515 nan 8.230 nan 0.000 0.475 272 D N 1.477 121.820 120.400 -0.095 0.000 2.398 272 D HA 0.004 4.644 4.640 -0.001 0.000 0.247 272 D C 1.091 177.347 176.300 -0.074 0.000 1.227 272 D CA -0.335 53.610 54.000 -0.091 0.000 0.980 272 D CB 0.880 41.601 40.800 -0.132 0.000 1.106 272 D HN 0.524 nan 8.370 nan 0.000 0.493 273 K N 0.274 120.641 120.400 -0.056 0.000 2.160 273 K HA -0.203 4.117 4.320 -0.001 0.000 0.206 273 K C 0.560 177.158 176.600 -0.003 0.000 1.047 273 K CA 1.655 57.930 56.287 -0.021 0.000 0.930 273 K CB -0.185 32.301 32.500 -0.024 0.000 0.720 273 K HN 0.359 nan 8.250 nan 0.000 0.450 274 D N -0.707 119.665 120.400 -0.048 0.000 2.342 274 D HA 0.110 4.749 4.640 -0.001 0.000 0.221 274 D C 1.073 177.258 176.300 -0.192 0.000 1.101 274 D CA 0.403 54.380 54.000 -0.039 0.000 0.837 274 D CB 0.364 41.135 40.800 -0.048 0.000 0.938 274 D HN 0.443 nan 8.370 nan 0.000 0.508 275 G N -0.280 108.330 108.800 -0.318 0.000 2.184 275 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.264 275 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.264 275 G C 0.543 175.191 174.900 -0.420 0.000 0.975 275 G CA 0.215 44.890 45.100 -0.709 0.000 0.642 275 G HN 0.834 nan 8.290 nan 0.000 0.536 276 A N -0.374 122.292 122.820 -0.256 0.000 2.287 276 A HA 0.744 5.064 4.320 -0.001 0.000 0.273 276 A C 0.533 178.015 177.584 -0.171 0.000 1.091 276 A CA -0.278 51.647 52.037 -0.186 0.000 0.817 276 A CB 0.444 19.354 19.000 -0.150 0.000 1.069 276 A HN 0.747 nan 8.150 nan 0.000 0.492 277 I N 1.633 122.109 120.570 -0.157 0.000 2.294 277 I HA 0.302 4.471 4.170 -0.001 0.000 0.295 277 I C 0.716 176.710 176.117 -0.205 0.000 1.098 277 I CA 0.264 61.463 61.300 -0.169 0.000 1.277 277 I CB -0.048 37.859 38.000 -0.155 0.000 1.434 277 I HN 0.740 nan 8.210 nan 0.000 0.498 281 C N 1.816 121.107 119.300 -0.016 0.000 2.491 281 C HA 0.143 4.602 4.460 -0.001 0.000 0.277 281 C C 1.721 176.680 174.990 -0.052 0.000 1.455 281 C CA 0.592 59.589 59.018 -0.034 0.000 1.758 281 C CB -1.506 26.207 27.740 -0.045 0.000 1.745 281 C HN 0.513 nan 8.230 nan 0.000 0.558 282 S N -0.367 115.299 115.700 -0.058 0.000 2.602 282 S HA 0.242 4.712 4.470 -0.001 0.000 0.240 282 S C 0.249 174.810 174.600 -0.066 0.000 0.992 282 S CA 0.222 58.380 58.200 -0.071 0.000 0.971 282 S CB -0.346 62.801 63.200 -0.088 0.000 0.855 282 S HN 0.562 nan 8.310 nan 0.000 0.481 283 S N 0.746 116.407 115.700 -0.065 0.000 2.433 283 S HA 0.389 4.859 4.470 -0.001 0.000 0.310 283 S C 0.784 175.348 174.600 -0.060 0.000 1.097 283 S CA -0.531 57.629 58.200 -0.068 0.000 1.103 283 S CB 1.259 64.406 63.200 -0.088 0.000 0.992 283 S HN 0.421 nan 8.310 nan 0.000 0.469 284 E N 2.576 122.744 120.200 -0.054 0.000 2.097 284 E HA -0.161 4.188 4.350 -0.001 0.000 0.196 284 E C 1.757 178.326 176.600 -0.050 0.000 1.000 284 E CA 1.858 58.227 56.400 -0.050 0.000 0.804 284 E CB -0.149 29.526 29.700 -0.041 0.000 0.740 284 E HN 0.854 nan 8.360 nan 0.000 0.454 285 C N 0.955 120.230 119.300 -0.041 0.000 2.436 285 C HA -0.009 4.450 4.460 -0.001 0.000 0.277 285 C C 1.789 176.766 174.990 -0.023 0.000 1.241 285 C CA 0.177 59.180 59.018 -0.026 0.000 1.721 285 C CB -1.019 26.710 27.740 -0.018 0.000 2.043 285 C HN 0.452 nan 8.230 nan 0.000 0.472 289 G N 0.596 108.990 108.800 -0.678 0.000 2.459 289 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.217 289 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.217 289 G C 1.443 176.270 174.900 -0.122 0.000 1.183 289 G CA 1.650 46.533 45.100 -0.362 0.000 0.776 289 G HN 0.799 nan 8.290 nan 0.000 0.552 290 L N 0.484 121.653 121.223 -0.090 0.000 2.093 290 L HA 0.208 4.548 4.340 -0.001 0.000 0.208 290 L C 2.662 179.509 176.870 -0.037 0.000 1.085 290 L CA 1.124 55.934 54.840 -0.049 0.000 0.755 290 L CB -0.435 41.581 42.059 -0.072 0.000 0.904 290 L HN 0.204 nan 8.230 nan 0.000 0.435 291 L N -0.460 120.722 121.223 -0.069 0.000 2.083 291 L HA -0.181 4.159 4.340 -0.001 0.000 0.209 291 L C 2.521 179.368 176.870 -0.038 0.000 1.083 291 L CA 1.107 55.916 54.840 -0.051 0.000 0.752 291 L CB -0.841 41.179 42.059 -0.066 0.000 0.899 291 L HN 0.373 nan 8.230 nan 0.000 0.433 292 A N -0.402 122.386 122.820 -0.054 0.000 2.178 292 A HA -0.048 4.272 4.320 -0.001 0.000 0.218 292 A C 1.830 179.404 177.584 -0.017 0.000 1.157 292 A CA 1.099 53.115 52.037 -0.035 0.000 0.689 292 A CB -0.388 18.590 19.000 -0.037 0.000 0.787 292 A HN 0.477 nan 8.150 nan 0.000 0.465 293 L N -1.027 120.201 121.223 0.008 0.000 2.959 293 L HA 0.145 4.485 4.340 -0.001 0.000 0.259 293 L C 2.052 178.948 176.870 0.043 0.000 1.185 293 L CA 0.096 54.949 54.840 0.022 0.000 0.998 293 L CB 0.028 42.158 42.059 0.117 0.000 1.337 293 L HN 0.472 nan 8.230 nan 0.000 0.555 294 R N 0.454 120.978 120.500 0.040 0.000 2.152 294 R HA -0.158 4.181 4.340 -0.001 0.000 0.232 294 R C 1.069 177.378 176.300 0.015 0.000 1.117 294 R CA 1.724 57.861 56.100 0.062 0.000 0.981 294 R CB -0.580 29.733 30.300 0.021 0.000 0.870 294 R HN 0.431 nan 8.270 nan 0.000 0.451 295 D N 1.052 121.422 120.400 -0.049 0.000 2.363 295 D HA -0.092 4.547 4.640 -0.001 0.000 0.220 295 D C 0.886 177.083 176.300 -0.172 0.000 0.994 295 D CA 0.494 54.444 54.000 -0.083 0.000 0.890 295 D CB 0.029 40.786 40.800 -0.072 0.000 0.906 295 D HN 0.379 nan 8.370 nan 0.000 0.530 296 K N -0.681 119.522 120.400 -0.329 0.000 2.379 296 K HA 0.142 4.462 4.320 -0.001 0.000 0.194 296 K C -0.227 175.889 176.600 -0.807 0.000 1.031 296 K CA 0.239 56.145 56.287 -0.634 0.000 1.037 296 K CB 0.423 32.363 32.500 -0.933 0.000 0.824 296 K HN 0.060 nan 8.250 nan 0.000 0.516 297 F N 0.239 120.141 119.950 -0.081 0.000 2.563 297 F HA 0.208 4.735 4.527 -0.001 0.000 0.316 297 F C 0.897 176.651 175.800 -0.077 0.000 1.076 297 F CA -1.299 56.643 58.000 -0.095 0.000 0.921 297 F CB 1.328 40.238 39.000 -0.150 0.000 1.209 297 F HN -0.234 nan 8.300 nan 0.000 0.462 298 D N 0.817 121.288 120.400 0.119 0.000 2.149 298 D HA -0.085 4.554 4.640 -0.001 0.000 0.198 298 D C 0.093 176.428 176.300 0.057 0.000 0.990 298 D CA 1.864 55.902 54.000 0.063 0.000 0.839 298 D CB 0.249 41.080 40.800 0.050 0.000 0.948 298 D HN 0.222 nan 8.370 nan 0.000 0.460 299 L N -1.314 119.939 121.223 0.050 0.000 2.549 299 L HA 0.554 4.894 4.340 -0.001 0.000 0.259 299 L C -1.924 174.803 176.870 -0.238 0.000 0.934 299 L CA -0.566 54.259 54.840 -0.024 0.000 0.865 299 L CB 2.024 44.098 42.059 0.026 0.000 1.352 299 L HN -0.094 nan 8.230 nan 0.000 0.410 300 A N 2.901 125.532 122.820 -0.315 0.000 2.556 300 A HA 0.976 5.296 4.320 -0.001 0.000 0.294 300 A C -1.644 175.624 177.584 -0.527 0.000 1.091 300 A CA -0.352 51.257 52.037 -0.713 0.000 0.704 300 A CB 1.436 20.089 19.000 -0.580 0.000 1.300 300 A HN 0.931 nan 8.150 nan 0.000 0.406 301 F N -2.152 117.594 119.950 -0.340 0.000 2.779 301 F HA 0.935 5.462 4.527 -0.001 0.000 0.316 301 F C -0.263 175.378 175.800 -0.264 0.000 1.164 301 F CA -0.918 56.927 58.000 -0.259 0.000 0.924 301 F CB 1.118 39.990 39.000 -0.213 0.000 1.348 301 F HN 1.226 nan 8.300 nan 0.000 0.467 302 A N 0.882 123.780 122.820 0.130 0.000 2.594 302 A HA 0.852 5.172 4.320 -0.001 0.000 0.291 302 A C -1.922 175.666 177.584 0.006 0.000 1.105 302 A CA -0.935 51.122 52.037 0.033 0.000 0.694 302 A CB 1.822 20.816 19.000 -0.010 0.000 1.291 302 A HN 0.900 nan 8.150 nan 0.000 0.410 303 N N 0.290 118.903 118.700 -0.145 0.000 2.284 303 N HA 0.517 5.257 4.740 -0.001 0.000 0.289 303 N C -1.478 173.862 175.510 -0.284 0.000 1.179 303 N CA -0.758 52.069 53.050 -0.372 0.000 0.774 303 N CB 1.563 39.388 38.487 -1.104 0.000 1.548 303 N HN 0.786 nan 8.380 nan 0.000 0.473 304 D N -0.100 120.198 120.400 -0.171 0.000 2.384 304 D HA 0.143 4.782 4.640 -0.001 0.000 0.244 304 D C -1.903 174.445 176.300 0.080 0.000 1.251 304 D CA -1.479 52.511 54.000 -0.016 0.000 0.961 304 D CB -0.003 40.810 40.800 0.022 0.000 1.116 304 D HN 0.214 nan 8.370 nan 0.000 0.484 305 P HA -0.111 nan 4.420 nan 0.000 0.218 305 P C 0.577 178.041 177.300 0.274 0.000 1.148 305 P CA 1.402 64.651 63.100 0.249 0.000 0.822 305 P CB 0.006 31.826 31.700 0.200 0.000 0.784 306 D N -3.428 117.073 120.400 0.169 0.000 2.349 306 D HA -0.108 4.532 4.640 -0.001 0.000 0.215 306 D C 0.143 176.537 176.300 0.158 0.000 1.016 306 D CA -0.196 53.869 54.000 0.108 0.000 0.870 306 D CB -0.993 39.815 40.800 0.013 0.000 0.917 306 D HN 0.120 nan 8.370 nan 0.000 0.524 307 Y N 0.843 121.114 120.300 -0.048 0.000 3.929 307 Y HA -0.237 4.312 4.550 -0.000 0.000 0.225 307 Y C 0.886 176.746 175.900 -0.066 0.000 1.200 307 Y CA 0.469 58.534 58.100 -0.058 0.000 1.791 307 Y CB -2.024 36.340 38.460 -0.160 0.000 1.561 307 Y HN 0.303 nan 8.280 nan 0.000 0.657 308 D N -1.051 119.349 120.400 0.000 0.000 2.389 308 D HA 0.112 4.752 4.640 -0.001 0.000 0.206 308 D C 0.698 176.979 176.300 -0.032 0.000 1.055 308 D CA 0.300 54.272 54.000 -0.047 0.000 0.856 308 D CB 0.255 40.986 40.800 -0.115 0.000 0.957 308 D HN 0.422 nan 8.370 nan 0.000 0.509 309 R N -0.084 120.395 120.500 -0.035 0.000 2.902 309 R HA 0.474 4.814 4.340 -0.001 0.000 0.258 309 R C -0.237 176.062 176.300 -0.003 0.000 1.071 309 R CA -0.826 55.252 56.100 -0.037 0.000 1.024 309 R CB 1.465 31.699 30.300 -0.110 0.000 1.184 309 R HN 0.247 nan 8.270 nan 0.000 0.492 310 H N -1.549 117.521 119.070 -0.001 0.000 2.851 310 H HA 0.585 5.141 4.556 -0.001 0.000 0.372 310 H C -1.026 174.301 175.328 -0.001 0.000 1.158 310 H CA -1.190 54.857 56.048 -0.001 0.000 1.159 310 H CB 2.104 31.887 29.762 0.035 0.000 1.757 310 H HN 0.778 nan 8.280 nan 0.000 0.546 311 G N 2.429 111.251 108.800 0.037 0.000 2.590 311 G HA2 0.489 4.449 3.960 -0.001 0.000 0.310 311 G HA3 0.489 4.449 3.960 -0.001 0.000 0.310 311 G C -0.995 173.925 174.900 0.034 0.000 1.347 311 G CA -0.648 44.449 45.100 -0.005 0.000 0.963 311 G HN 0.457 nan 8.290 nan 0.000 0.494 312 I N 2.612 123.163 120.570 -0.033 0.000 2.362 312 I HA 0.353 4.523 4.170 -0.001 0.000 0.289 312 I C -0.110 175.976 176.117 -0.052 0.000 0.994 312 I CA -1.196 60.057 61.300 -0.078 0.000 1.158 312 I CB 1.170 38.966 38.000 -0.340 0.000 1.315 312 I HN 0.049 nan 8.210 nan 0.000 0.451 313 V N 5.912 125.806 119.914 -0.033 0.000 2.513 313 V HA 0.670 4.790 4.120 -0.001 0.000 0.299 313 V C 0.459 176.542 176.094 -0.019 0.000 1.035 313 V CA -0.385 61.893 62.300 -0.036 0.000 0.889 313 V CB 2.057 33.847 31.823 -0.056 0.000 0.988 313 V HN 0.943 nan 8.190 nan 0.000 0.440 314 T N 1.915 116.469 114.554 0.001 0.000 2.888 314 T HA 0.515 4.864 4.350 -0.001 0.000 0.288 314 T C -2.347 172.365 174.700 0.019 0.000 1.063 314 T CA -2.129 59.981 62.100 0.018 0.000 1.010 314 T CB 2.118 71.003 68.868 0.028 0.000 1.214 314 T HN 0.326 nan 8.240 nan 0.000 0.533 315 P HA 0.058 nan 4.420 nan 0.000 0.221 315 P C 1.317 178.622 177.300 0.009 0.000 1.145 315 P CA 1.086 64.192 63.100 0.010 0.000 0.795 315 P CB -0.268 31.433 31.700 0.002 0.000 0.775 316 A N -1.307 121.523 122.820 0.017 0.000 2.119 316 A HA 0.406 4.726 4.320 -0.001 0.000 0.217 316 A C 1.265 178.859 177.584 0.018 0.000 1.153 316 A CA 1.305 53.355 52.037 0.022 0.000 0.692 316 A CB -0.889 18.134 19.000 0.037 0.000 0.799 316 A HN 0.350 nan 8.150 nan 0.000 0.458 317 G N -2.012 106.794 108.800 0.010 0.000 2.318 317 G HA2 0.219 4.179 3.960 -0.001 0.000 0.367 317 G HA3 0.219 4.179 3.960 -0.001 0.000 0.367 317 G C -0.642 174.254 174.900 -0.007 0.000 1.260 317 G CA -0.301 44.799 45.100 -0.001 0.000 1.055 317 G HN 0.914 nan 8.290 nan 0.000 0.484 321 P HA -0.157 nan 4.420 nan 0.000 0.215 321 P C 0.872 178.201 177.300 0.048 0.000 1.157 321 P CA 1.041 64.142 63.100 0.001 0.000 0.874 321 P CB 0.165 31.839 31.700 -0.045 0.000 0.790 322 N N -1.174 117.491 118.700 -0.058 0.000 2.091 322 N HA -0.200 4.540 4.740 -0.001 0.000 0.193 322 N C 1.738 177.319 175.510 0.119 0.000 1.021 322 N CA 1.428 54.490 53.050 0.020 0.000 0.862 322 N CB -0.886 37.570 38.487 -0.052 0.000 1.018 322 N HN 0.457 nan 8.380 nan 0.000 0.429 323 H N -1.866 117.100 119.070 -0.173 0.000 2.321 323 H HA -0.151 4.405 4.556 -0.001 0.000 0.300 323 H C 1.702 177.005 175.328 -0.041 0.000 1.087 323 H CA 1.125 56.904 56.048 -0.450 0.000 1.319 323 H CB -0.131 29.029 29.762 -1.002 0.000 1.379 323 H HN 0.231 nan 8.280 nan 0.000 0.501 324 Y N 1.837 122.183 120.300 0.077 0.000 2.224 324 Y HA -0.200 4.349 4.550 -0.001 0.000 0.289 324 Y C 2.234 178.228 175.900 0.157 0.000 1.146 324 Y CA 0.979 59.159 58.100 0.134 0.000 1.182 324 Y CB -0.532 38.026 38.460 0.163 0.000 0.983 324 Y HN 0.070 nan 8.280 nan 0.000 0.524 325 L N -0.550 120.706 121.223 0.055 0.000 2.012 325 L HA -0.272 4.068 4.340 -0.001 0.000 0.210 325 L C 2.766 179.557 176.870 -0.132 0.000 1.073 325 L CA 1.355 56.184 54.840 -0.019 0.000 0.748 325 L CB -1.078 41.076 42.059 0.157 0.000 0.891 325 L HN 0.301 nan 8.230 nan 0.000 0.431 326 A N -0.414 122.418 122.820 0.021 0.000 1.933 326 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 326 A C 2.320 179.905 177.584 0.002 0.000 1.175 326 A CA 1.782 53.845 52.037 0.043 0.000 0.628 326 A CB -0.769 18.363 19.000 0.219 0.000 0.814 326 A HN 0.213 nan 8.150 nan 0.000 0.444 327 V N -0.196 119.742 119.914 0.039 0.000 2.307 327 V HA -0.224 3.895 4.120 -0.001 0.000 0.245 327 V C 3.054 179.059 176.094 -0.148 0.000 1.045 327 V CA 1.873 64.186 62.300 0.022 0.000 1.024 327 V CB -1.289 30.634 31.823 0.167 0.000 0.651 327 V HN 0.612 nan 8.190 nan 0.000 0.449 328 A N -0.003 122.584 122.820 -0.388 0.000 1.877 328 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 328 A C 2.197 179.562 177.584 -0.365 0.000 1.186 328 A CA 2.055 53.815 52.037 -0.461 0.000 0.620 328 A CB -0.559 18.056 19.000 -0.641 0.000 0.822 328 A HN 0.494 nan 8.150 nan 0.000 0.443 329 I N -0.419 119.861 120.570 -0.482 0.000 2.142 329 I HA -0.265 3.904 4.170 -0.001 0.000 0.240 329 I C 2.455 178.554 176.117 -0.029 0.000 1.078 329 I CA 1.732 62.824 61.300 -0.347 0.000 1.343 329 I CB -0.428 37.300 38.000 -0.454 0.000 1.046 329 I HN 0.407 nan 8.210 nan 0.000 0.405 330 N N 0.270 118.938 118.700 -0.054 0.000 2.104 330 N HA -0.287 4.453 4.740 -0.001 0.000 0.190 330 N C 1.878 177.409 175.510 0.036 0.000 1.024 330 N CA 1.624 54.680 53.050 0.011 0.000 0.853 330 N CB -0.304 38.202 38.487 0.030 0.000 1.008 330 N HN 0.409 nan 8.380 nan 0.000 0.424 331 Y N 0.546 120.784 120.300 -0.103 0.000 2.109 331 Y HA -0.017 4.532 4.550 -0.001 0.000 0.285 331 Y C 2.054 177.932 175.900 -0.037 0.000 1.131 331 Y CA 1.455 59.506 58.100 -0.082 0.000 1.121 331 Y CB -0.486 37.832 38.460 -0.237 0.000 0.987 331 Y HN 0.058 nan 8.280 nan 0.000 0.495 332 L N -0.974 120.174 121.223 -0.124 0.000 2.042 332 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 332 L C 2.065 178.616 176.870 -0.531 0.000 1.076 332 L CA 1.531 56.130 54.840 -0.401 0.000 0.749 332 L CB -0.593 41.215 42.059 -0.419 0.000 0.893 332 L HN 0.213 nan 8.230 nan 0.000 0.432 333 F N -0.634 119.181 119.950 -0.225 0.000 2.802 333 F HA -0.084 4.443 4.527 -0.001 0.000 0.300 333 F C 2.225 177.898 175.800 -0.212 0.000 1.168 333 F CA 0.630 58.549 58.000 -0.135 0.000 1.433 333 F CB -0.086 38.908 39.000 -0.010 0.000 1.115 333 F HN 0.150 nan 8.300 nan 0.000 0.582 334 Q N -1.777 117.899 119.800 -0.206 0.000 2.281 334 Q HA 0.078 4.417 4.340 -0.001 0.000 0.215 334 Q C 0.136 175.709 176.000 -0.711 0.000 0.867 334 Q CA 0.416 55.992 55.803 -0.377 0.000 0.940 334 Q CB 0.301 28.825 28.738 -0.357 0.000 1.111 334 Q HN 0.502 nan 8.270 nan 0.000 0.513 335 H N -0.370 118.362 119.070 -0.564 0.000 2.575 335 H HA 0.285 4.841 4.556 -0.001 0.000 0.256 335 H C -0.544 174.487 175.328 -0.495 0.000 1.162 335 H CA -0.175 55.534 56.048 -0.564 0.000 0.969 335 H CB 0.713 29.917 29.762 -0.930 0.000 1.796 335 H HN -0.187 nan 8.280 nan 0.000 0.607 336 R N 1.205 121.393 120.500 -0.519 0.000 2.644 336 R HA 0.165 4.504 4.340 -0.001 0.000 0.271 336 R C -2.299 173.734 176.300 -0.445 0.000 1.687 336 R CA -1.429 54.243 56.100 -0.713 0.000 1.655 336 R CB 0.700 29.907 30.300 -1.821 0.000 1.285 336 R HN 0.252 nan 8.270 nan 0.000 0.643 337 P HA -0.075 nan 4.420 nan 0.000 0.222 337 P C 1.017 178.304 177.300 -0.023 0.000 1.147 337 P CA 0.781 63.814 63.100 -0.112 0.000 0.790 337 P CB 0.429 32.071 31.700 -0.097 0.000 0.780 338 L N -2.883 118.343 121.223 0.005 0.000 2.554 338 L HA 0.062 4.402 4.340 -0.001 0.000 0.226 338 L C 0.869 177.913 176.870 0.289 0.000 1.137 338 L CA -0.055 54.860 54.840 0.124 0.000 0.863 338 L CB -0.640 41.506 42.059 0.144 0.000 0.985 338 L HN -0.065 nan 8.230 nan 0.000 0.451 339 W N 1.817 123.127 121.300 0.016 0.000 2.253 339 W HA 0.340 4.999 4.660 -0.001 0.000 0.322 339 W C 1.068 177.606 176.519 0.031 0.000 1.342 339 W CA -1.187 56.166 57.345 0.013 0.000 1.218 339 W CB -0.178 29.260 29.460 -0.036 0.000 1.205 339 W HN -0.090 nan 8.180 nan 0.000 0.551 340 G N 2.777 111.716 108.800 0.231 0.000 2.562 340 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.233 340 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.233 340 G C 0.808 175.807 174.900 0.166 0.000 1.266 340 G CA -0.407 44.781 45.100 0.146 0.000 0.852 340 G HN 0.589 nan 8.290 nan 0.000 0.581 341 K N 0.136 120.607 120.400 0.118 0.000 2.360 341 K HA -0.085 4.235 4.320 -0.001 0.000 0.201 341 K C 1.769 178.430 176.600 0.101 0.000 1.046 341 K CA 1.348 57.702 56.287 0.111 0.000 0.945 341 K CB 0.167 32.708 32.500 0.068 0.000 0.750 341 K HN 0.726 nan 8.250 nan 0.000 0.464 342 D N 0.315 120.763 120.400 0.080 0.000 2.347 342 D HA -0.056 4.584 4.640 -0.001 0.000 0.213 342 D C 0.418 176.755 176.300 0.063 0.000 0.985 342 D CA 0.108 54.139 54.000 0.051 0.000 0.879 342 D CB -0.084 40.729 40.800 0.021 0.000 0.919 342 D HN -0.170 nan 8.370 nan 0.000 0.526 343 V N 1.419 121.404 119.914 0.118 0.000 2.540 343 V HA 0.331 4.450 4.120 -0.001 0.000 0.297 343 V C 0.943 177.190 176.094 0.256 0.000 1.024 343 V CA -0.249 62.134 62.300 0.139 0.000 1.105 343 V CB 0.480 32.375 31.823 0.120 0.000 0.938 343 V HN 0.378 nan 8.190 nan 0.000 0.482 344 A N 5.497 128.437 122.820 0.199 0.000 2.261 344 A HA 0.839 5.159 4.320 -0.001 0.000 0.323 344 A C -0.506 177.268 177.584 0.317 0.000 1.107 344 A CA -0.603 51.550 52.037 0.193 0.000 0.883 344 A CB 1.320 20.393 19.000 0.121 0.000 1.251 344 A HN 0.629 nan 8.150 nan 0.000 0.502 345 V N 0.693 120.665 119.914 0.095 0.000 2.370 345 V HA 0.570 4.690 4.120 -0.001 0.000 0.283 345 V C 0.821 176.985 176.094 0.116 0.000 1.023 345 V CA -0.203 62.122 62.300 0.042 0.000 0.857 345 V CB 0.978 32.620 31.823 -0.300 0.000 0.985 345 V HN 1.097 nan 8.190 nan 0.000 0.443 346 G N 3.514 112.238 108.800 -0.127 0.000 2.377 346 G HA2 0.591 4.551 3.960 -0.001 0.000 0.299 346 G HA3 0.591 4.551 3.960 -0.001 0.000 0.299 346 G C -0.667 174.110 174.900 -0.206 0.000 1.150 346 G CA -0.413 44.451 45.100 -0.393 0.000 0.847 346 G HN 0.647 nan 8.290 nan 0.000 0.501 347 K N 0.959 121.463 120.400 0.173 0.000 2.535 347 K HA 0.425 4.745 4.320 -0.001 0.000 0.251 347 K C 0.013 176.758 176.600 0.242 0.000 0.942 347 K CA -0.596 55.796 56.287 0.174 0.000 0.798 347 K CB 1.754 34.283 32.500 0.048 0.000 1.267 347 K HN 0.658 nan 8.250 nan 0.000 0.434 348 T N 1.020 115.722 114.554 0.246 0.000 2.882 348 T HA 0.113 4.463 4.350 -0.001 0.000 0.287 348 T C 1.553 176.216 174.700 -0.063 0.000 1.014 348 T CA -0.943 61.202 62.100 0.074 0.000 1.049 348 T CB 0.765 69.691 68.868 0.097 0.000 1.001 348 T HN 0.580 nan 8.240 nan 0.000 0.525 349 L N 1.777 122.908 121.223 -0.153 0.000 2.051 349 L HA -0.104 4.236 4.340 -0.001 0.000 0.214 349 L C 2.157 178.818 176.870 -0.348 0.000 1.076 349 L CA 2.461 57.149 54.840 -0.254 0.000 0.758 349 L CB -0.752 41.171 42.059 -0.227 0.000 0.890 349 L HN 0.845 nan 8.230 nan 0.000 0.433 350 V N -4.648 115.134 119.914 -0.220 0.000 3.444 350 V HA 0.236 4.356 4.120 -0.001 0.000 0.308 350 V C 1.178 177.419 176.094 0.245 0.000 1.371 350 V CA -0.441 61.804 62.300 -0.092 0.000 1.141 350 V CB 0.037 31.622 31.823 -0.398 0.000 1.037 350 V HN 0.185 nan 8.190 nan 0.000 0.433 351 S N 1.032 116.798 115.700 0.110 0.000 2.624 351 S HA 0.376 4.846 4.470 -0.001 0.000 0.263 351 S C 0.458 175.267 174.600 0.348 0.000 1.287 351 S CA 0.157 58.487 58.200 0.216 0.000 0.990 351 S CB 1.288 64.570 63.200 0.137 0.000 0.950 351 S HN 0.646 nan 8.310 nan 0.000 0.561 352 S N 0.865 116.798 115.700 0.389 0.000 2.549 352 S HA 0.427 4.897 4.470 -0.001 0.000 0.286 352 S C 0.397 175.245 174.600 0.413 0.000 1.314 352 S CA -0.490 58.024 58.200 0.525 0.000 1.062 352 S CB -0.041 63.404 63.200 0.409 0.000 0.865 352 S HN 0.788 nan 8.310 nan 0.000 0.498 356 D N 2.340 122.681 120.400 -0.098 0.000 2.116 356 D HA -0.162 4.478 4.640 -0.001 0.000 0.193 356 D C 2.018 178.182 176.300 -0.226 0.000 0.998 356 D CA 1.665 55.577 54.000 -0.147 0.000 0.836 356 D CB -0.119 40.600 40.800 -0.135 0.000 0.951 356 D HN 0.286 nan 8.370 nan 0.000 0.449 357 R N 0.192 120.480 120.500 -0.353 0.000 2.081 357 R HA -0.047 4.293 4.340 -0.001 0.000 0.235 357 R C 2.367 178.354 176.300 -0.521 0.000 1.131 357 R CA 0.609 56.334 56.100 -0.625 0.000 0.960 357 R CB -0.535 29.028 30.300 -1.228 0.000 0.856 357 R HN 0.084 nan 8.270 nan 0.000 0.436 358 V N 0.516 120.206 119.914 -0.373 0.000 2.255 358 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 358 V C 2.276 178.288 176.094 -0.136 0.000 1.051 358 V CA 1.847 64.047 62.300 -0.165 0.000 1.018 358 V CB -0.298 31.468 31.823 -0.096 0.000 0.641 358 V HN 0.147 nan 8.190 nan 0.000 0.445 359 V N 0.358 120.169 119.914 -0.173 0.000 2.427 359 V HA -0.226 3.894 4.120 -0.001 0.000 0.248 359 V C 2.280 178.291 176.094 -0.139 0.000 1.051 359 V CA 2.208 64.394 62.300 -0.189 0.000 1.048 359 V CB -1.043 30.651 31.823 -0.215 0.000 0.666 359 V HN 0.658 nan 8.190 nan 0.000 0.456 360 N N 0.959 119.583 118.700 -0.126 0.000 2.043 360 N HA -0.241 4.499 4.740 -0.001 0.000 0.193 360 N C 1.606 177.088 175.510 -0.048 0.000 1.037 360 N CA 2.045 55.043 53.050 -0.087 0.000 0.851 360 N CB -0.371 38.061 38.487 -0.092 0.000 1.027 360 N HN 0.502 nan 8.380 nan 0.000 0.422 361 D N -0.651 119.733 120.400 -0.026 0.000 2.221 361 D HA -0.071 4.568 4.640 -0.001 0.000 0.204 361 D C 1.641 177.947 176.300 0.010 0.000 0.982 361 D CA 0.774 54.796 54.000 0.036 0.000 0.857 361 D CB -0.055 40.826 40.800 0.135 0.000 0.934 361 D HN 0.360 nan 8.370 nan 0.000 0.475 362 L N -0.985 120.224 121.223 -0.024 0.000 2.554 362 L HA 0.204 4.543 4.340 -0.001 0.000 0.226 362 L C 1.467 178.322 176.870 -0.026 0.000 1.137 362 L CA 0.378 55.203 54.840 -0.025 0.000 0.863 362 L CB -0.215 41.814 42.059 -0.050 0.000 0.985 362 L HN 0.226 nan 8.230 nan 0.000 0.451 363 G N 1.050 109.829 108.800 -0.035 0.000 2.273 363 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.280 363 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.280 363 G C 0.199 175.078 174.900 -0.035 0.000 1.047 363 G CA 0.058 45.141 45.100 -0.029 0.000 0.869 363 G HN 0.193 nan 8.290 nan 0.000 0.502 364 R N -0.489 119.966 120.500 -0.076 0.000 2.758 364 R HA 0.509 4.848 4.340 -0.001 0.000 0.265 364 R C 0.390 176.629 176.300 -0.101 0.000 1.016 364 R CA -1.010 55.031 56.100 -0.098 0.000 1.040 364 R CB 0.981 31.136 30.300 -0.241 0.000 1.152 364 R HN 0.306 nan 8.270 nan 0.000 0.503 365 K N 1.826 122.181 120.400 -0.074 0.000 2.312 365 K HA 0.149 4.468 4.320 -0.001 0.000 0.287 365 K C -0.674 175.895 176.600 -0.052 0.000 1.062 365 K CA -0.375 55.884 56.287 -0.047 0.000 0.934 365 K CB 0.509 33.000 32.500 -0.014 0.000 1.027 365 K HN 0.247 nan 8.250 nan 0.000 0.478 366 L N 5.559 126.756 121.223 -0.043 0.000 2.275 366 L HA 0.305 4.644 4.340 -0.001 0.000 0.288 366 L C -1.245 175.650 176.870 0.041 0.000 1.046 366 L CA -0.347 54.479 54.840 -0.024 0.000 0.805 366 L CB 1.663 43.684 42.059 -0.063 0.000 1.193 366 L HN 0.373 nan 8.230 nan 0.000 0.426 367 V N 5.322 125.319 119.914 0.138 0.000 2.284 367 V HA 0.321 4.441 4.120 -0.001 0.000 0.274 367 V C -0.009 176.178 176.094 0.155 0.000 1.023 367 V CA -0.635 61.785 62.300 0.201 0.000 0.808 367 V CB 0.955 33.053 31.823 0.459 0.000 1.035 367 V HN 0.790 nan 8.190 nan 0.000 0.445 368 E N 3.938 124.158 120.200 0.033 0.000 2.259 368 E HA 0.521 4.871 4.350 -0.001 0.000 0.281 368 E C -0.416 176.127 176.600 -0.095 0.000 1.037 368 E CA -0.346 56.035 56.400 -0.032 0.000 0.854 368 E CB 1.524 31.161 29.700 -0.104 0.000 1.051 368 E HN 0.621 nan 8.360 nan 0.000 0.409 369 V N 1.406 121.234 119.914 -0.144 0.000 3.113 369 V HA 0.696 4.816 4.120 -0.001 0.000 0.316 369 V C -2.656 173.171 176.094 -0.444 0.000 1.125 369 V CA -2.595 59.488 62.300 -0.361 0.000 1.026 369 V CB 1.336 32.913 31.823 -0.411 0.000 1.080 369 V HN 0.611 nan 8.190 nan 0.000 0.444 370 P HA 0.207 nan 4.420 nan 0.000 0.275 370 P C -0.256 176.902 177.300 -0.237 0.000 1.270 370 P CA -0.276 62.538 63.100 -0.475 0.000 0.791 370 P CB 0.261 31.624 31.700 -0.562 0.000 1.089 371 V N 0.183 120.055 119.914 -0.070 0.000 2.694 371 V HA 0.347 4.467 4.120 -0.001 0.000 0.306 371 V C 0.898 177.097 176.094 0.174 0.000 1.054 371 V CA 1.852 64.170 62.300 0.031 0.000 1.161 371 V CB -0.887 30.956 31.823 0.033 0.000 0.916 371 V HN 1.008 nan 8.190 nan 0.000 0.490 372 G N 3.874 112.762 108.800 0.148 0.000 2.697 372 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.684 372 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.684 372 G C -0.502 174.436 174.900 0.064 0.000 1.274 372 G CA -0.132 45.053 45.100 0.142 0.000 0.806 372 G HN 0.734 nan 8.290 nan 0.000 0.644 373 F N 2.371 122.291 119.950 -0.050 0.000 2.367 373 F HA 0.084 4.611 4.527 -0.001 0.000 0.298 373 F C 2.648 178.354 175.800 -0.157 0.000 1.094 373 F CA 1.798 59.788 58.000 -0.017 0.000 1.409 373 F CB 0.212 39.265 39.000 0.088 0.000 1.064 373 F HN 0.613 nan 8.300 nan 0.000 0.528 374 K N 0.268 120.573 120.400 -0.159 0.000 2.173 374 K HA -0.274 4.046 4.320 -0.001 0.000 0.207 374 K C 1.599 177.883 176.600 -0.527 0.000 1.046 374 K CA 2.188 58.263 56.287 -0.354 0.000 0.929 374 K CB -1.185 31.022 32.500 -0.488 0.000 0.720 374 K HN 0.505 nan 8.250 nan 0.000 0.453 375 W N -0.129 120.910 121.300 -0.434 0.000 2.611 375 W HA -0.026 4.634 4.660 -0.000 0.000 0.251 375 W C 1.264 177.551 176.519 -0.387 0.000 1.265 375 W CA -0.160 56.923 57.345 -0.436 0.000 1.295 375 W CB -0.087 29.034 29.460 -0.565 0.000 1.129 375 W HN 0.009 nan 8.180 nan 0.000 0.630 376 F N -1.883 117.945 119.950 -0.204 0.000 2.714 376 F HA 0.055 4.581 4.527 -0.001 0.000 0.294 376 F C 1.962 177.693 175.800 -0.116 0.000 1.120 376 F CA -0.376 57.411 58.000 -0.354 0.000 1.398 376 F CB -1.209 37.219 39.000 -0.953 0.000 1.120 376 F HN -0.315 nan 8.300 nan 0.000 0.589 377 V N 0.447 120.367 119.914 0.010 0.000 2.282 377 V HA -0.306 3.813 4.120 -0.001 0.000 0.249 377 V C 1.986 178.186 176.094 0.177 0.000 1.057 377 V CA 2.288 64.643 62.300 0.093 0.000 1.032 377 V CB -0.442 31.399 31.823 0.031 0.000 0.645 377 V HN 0.189 nan 8.190 nan 0.000 0.447 378 D N 0.361 120.857 120.400 0.159 0.000 2.149 378 D HA -0.056 4.584 4.640 -0.001 0.000 0.201 378 D C 2.183 178.615 176.300 0.220 0.000 0.972 378 D CA 1.496 55.592 54.000 0.161 0.000 0.835 378 D CB -0.521 40.334 40.800 0.092 0.000 0.966 378 D HN 0.479 nan 8.370 nan 0.000 0.476 379 G N 0.398 109.361 108.800 0.271 0.000 2.421 379 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.217 379 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.217 379 G C 1.756 176.803 174.900 0.243 0.000 1.143 379 G CA 0.052 45.239 45.100 0.146 0.000 0.784 379 G HN 0.220 nan 8.290 nan 0.000 0.541 380 L N -0.733 120.702 121.223 0.353 0.000 2.027 380 L HA 0.033 4.372 4.340 -0.001 0.000 0.206 380 L C 2.521 179.478 176.870 0.146 0.000 1.074 380 L CA 0.952 55.916 54.840 0.208 0.000 0.745 380 L CB -0.398 41.773 42.059 0.187 0.000 0.898 380 L HN 0.239 nan 8.230 nan 0.000 0.433 381 F N 1.995 121.982 119.950 0.061 0.000 2.126 381 F HA -0.277 4.250 4.527 -0.001 0.000 0.299 381 F C 2.103 177.909 175.800 0.009 0.000 1.096 381 F CA 2.007 60.024 58.000 0.028 0.000 1.255 381 F CB -0.160 38.855 39.000 0.025 0.000 0.997 381 F HN 0.344 nan 8.300 nan 0.000 0.479 382 D N -1.186 119.259 120.400 0.074 0.000 2.349 382 D HA 0.154 4.794 4.640 -0.001 0.000 0.214 382 D C 1.698 177.947 176.300 -0.085 0.000 1.063 382 D CA 0.719 54.699 54.000 -0.033 0.000 0.847 382 D CB -0.374 40.473 40.800 0.078 0.000 0.933 382 D HN 0.397 nan 8.370 nan 0.000 0.513 383 G N 0.372 109.120 108.800 -0.086 0.000 2.162 383 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.260 383 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.260 383 G C 1.188 176.018 174.900 -0.117 0.000 0.976 383 G CA 0.929 45.956 45.100 -0.122 0.000 0.655 383 G HN 0.705 nan 8.290 nan 0.000 0.533 384 S N -1.179 114.459 115.700 -0.102 0.000 2.489 384 S HA 0.367 4.837 4.470 -0.001 0.000 0.228 384 S C 0.720 175.214 174.600 -0.177 0.000 0.995 384 S CA 0.093 58.200 58.200 -0.156 0.000 0.934 384 S CB 0.025 63.096 63.200 -0.214 0.000 0.771 384 S HN 0.411 nan 8.310 nan 0.000 0.522 385 F N 1.461 121.400 119.950 -0.018 0.000 2.411 385 F HA 0.572 5.099 4.527 -0.001 0.000 0.352 385 F C 1.594 177.337 175.800 -0.095 0.000 1.123 385 F CA -0.926 57.075 58.000 0.002 0.000 1.044 385 F CB 1.682 40.694 39.000 0.019 0.000 1.135 385 F HN 0.165 nan 8.300 nan 0.000 0.461 386 G N 3.675 112.568 108.800 0.155 0.000 2.464 386 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.217 386 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.217 386 G C -0.424 174.517 174.900 0.068 0.000 1.138 386 G CA 0.510 45.409 45.100 -0.336 0.000 0.793 386 G HN 0.480 nan 8.290 nan 0.000 0.539 387 F N -0.736 119.309 119.950 0.158 0.000 2.635 387 F HA 0.556 5.083 4.527 -0.000 0.000 0.314 387 F C -0.693 174.951 175.800 -0.260 0.000 1.119 387 F CA -0.705 57.362 58.000 0.112 0.000 1.000 387 F CB 1.569 40.759 39.000 0.316 0.000 1.278 387 F HN 0.119 nan 8.300 nan 0.000 0.446 388 G N 2.413 110.719 108.800 -0.823 0.000 2.732 388 G HA2 0.613 4.573 3.960 -0.001 0.000 0.295 388 G HA3 0.613 4.573 3.960 -0.001 0.000 0.295 388 G C -1.459 172.836 174.900 -1.007 0.000 1.456 388 G CA -0.550 43.659 45.100 -1.485 0.000 1.050 388 G HN 1.044 nan 8.290 nan 0.000 0.525 389 G N 0.709 109.134 108.800 -0.625 0.000 2.659 389 G HA2 0.717 4.676 3.960 -0.001 0.000 0.296 389 G HA3 0.717 4.676 3.960 -0.001 0.000 0.296 389 G C -0.905 174.180 174.900 0.309 0.000 1.369 389 G CA -0.794 44.327 45.100 0.036 0.000 0.937 389 G HN 0.696 nan 8.290 nan 0.000 0.485 390 E N 0.448 120.856 120.200 0.347 0.000 2.263 390 E HA 0.335 4.684 4.350 -0.001 0.000 0.264 390 E C 0.416 177.132 176.600 0.193 0.000 0.923 390 E CA -0.925 55.650 56.400 0.291 0.000 0.802 390 E CB 2.132 32.007 29.700 0.291 0.000 1.228 390 E HN 0.476 nan 8.360 nan 0.000 0.417 391 E N 1.187 121.477 120.200 0.150 0.000 2.265 391 E HA -0.167 4.183 4.350 -0.001 0.000 0.196 391 E C 1.058 177.692 176.600 0.056 0.000 0.996 391 E CA 1.349 57.804 56.400 0.092 0.000 0.832 391 E CB -0.404 29.345 29.700 0.080 0.000 0.756 391 E HN 0.441 nan 8.360 nan 0.000 0.491 392 S N 0.205 115.948 115.700 0.072 0.000 2.851 392 S HA 0.464 4.934 4.470 -0.001 0.000 0.227 392 S C 1.020 175.611 174.600 -0.015 0.000 0.958 392 S CA 0.309 58.532 58.200 0.038 0.000 0.990 392 S CB -0.373 62.858 63.200 0.051 0.000 0.790 392 S HN 0.712 nan 8.310 nan 0.000 0.509 393 A N -1.210 121.595 122.820 -0.026 0.000 3.061 393 A HA 0.070 4.390 4.320 -0.001 0.000 0.244 393 A C 0.638 178.102 177.584 -0.199 0.000 1.357 393 A CA 0.393 52.320 52.037 -0.184 0.000 0.889 393 A CB -1.943 16.883 19.000 -0.290 0.000 1.092 393 A HN 1.543 nan 8.150 nan 0.000 0.694 394 G N -1.615 107.205 108.800 0.033 0.000 2.566 394 G HA2 0.999 4.959 3.960 -0.001 0.000 0.311 394 G HA3 0.999 4.959 3.960 -0.001 0.000 0.311 394 G C -0.416 174.572 174.900 0.147 0.000 1.322 394 G CA 0.439 45.581 45.100 0.070 0.000 0.969 394 G HN 2.076 nan 8.290 nan 0.000 0.490 395 A N 0.818 123.707 122.820 0.114 0.000 2.581 395 A HA 0.934 5.253 4.320 -0.001 0.000 0.290 395 A C -0.707 176.848 177.584 -0.049 0.000 1.119 395 A CA -0.312 51.738 52.037 0.021 0.000 0.670 395 A CB 1.565 20.493 19.000 -0.120 0.000 1.280 395 A HN 1.711 nan 8.150 nan 0.000 0.425 396 S N -1.305 114.323 115.700 -0.119 0.000 2.570 396 S HA 0.898 5.367 4.470 -0.001 0.000 0.270 396 S C -1.457 173.076 174.600 -0.111 0.000 1.149 396 S CA -0.227 57.927 58.200 -0.077 0.000 0.837 396 S CB 1.044 64.300 63.200 0.095 0.000 1.124 396 S HN 1.788 nan 8.310 nan 0.000 0.465 397 F N 0.387 120.294 119.950 -0.071 0.000 2.754 397 F HA 0.735 5.262 4.527 -0.000 0.000 0.320 397 F C -1.487 174.333 175.800 0.034 0.000 1.156 397 F CA -1.407 56.595 58.000 0.003 0.000 0.950 397 F CB 0.497 39.640 39.000 0.238 0.000 1.388 397 F HN 0.444 nan 8.300 nan 0.000 0.485 398 L N 1.851 123.196 121.223 0.202 0.000 2.439 398 L HA 0.510 4.850 4.340 -0.001 0.000 0.261 398 L C 0.561 177.567 176.870 0.227 0.000 1.153 398 L CA -0.905 53.963 54.840 0.047 0.000 0.808 398 L CB 0.838 42.685 42.059 -0.353 0.000 1.126 398 L HN 0.635 nan 8.230 nan 0.000 0.460 399 R N 0.336 120.912 120.500 0.127 0.000 2.861 399 R HA -0.024 4.316 4.340 -0.001 0.000 0.268 399 R C 0.881 177.366 176.300 0.308 0.000 1.027 399 R CA -0.077 56.091 56.100 0.114 0.000 1.163 399 R CB 0.178 30.572 30.300 0.155 0.000 1.060 399 R HN 0.377 nan 8.270 nan 0.000 0.483 400 F N 1.267 121.376 119.950 0.265 0.000 2.115 400 F HA -0.266 4.261 4.527 -0.001 0.000 0.300 400 F C 2.098 178.068 175.800 0.284 0.000 1.092 400 F CA 2.067 60.196 58.000 0.215 0.000 1.245 400 F CB -0.419 38.624 39.000 0.070 0.000 0.995 400 F HN 0.639 nan 8.300 nan 0.000 0.481 401 D N -0.977 119.666 120.400 0.405 0.000 2.363 401 D HA 0.104 4.744 4.640 -0.001 0.000 0.226 401 D C 1.713 178.157 176.300 0.241 0.000 1.020 401 D CA 0.856 55.023 54.000 0.280 0.000 0.892 401 D CB -0.531 40.377 40.800 0.180 0.000 0.900 401 D HN 0.367 nan 8.370 nan 0.000 0.531 402 G N -0.066 108.895 108.800 0.268 0.000 2.136 402 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.242 402 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.242 402 G C 0.311 175.160 174.900 -0.086 0.000 0.989 402 G CA 0.497 45.577 45.100 -0.032 0.000 0.682 402 G HN 0.833 nan 8.290 nan 0.000 0.522 403 T N -1.507 113.038 114.554 -0.015 0.000 2.940 403 T HA 0.795 5.144 4.350 -0.001 0.000 0.288 403 T C -2.665 172.014 174.700 -0.035 0.000 1.033 403 T CA -1.849 60.217 62.100 -0.057 0.000 1.033 403 T CB 3.395 72.240 68.868 -0.037 0.000 1.079 403 T HN 0.098 nan 8.240 nan 0.000 0.496 404 P HA 0.028 nan 4.420 nan 0.000 0.271 404 P C 0.082 177.414 177.300 0.054 0.000 1.218 404 P CA -0.529 62.560 63.100 -0.018 0.000 0.780 404 P CB 1.071 32.741 31.700 -0.051 0.000 0.901 405 W N 3.198 124.422 121.300 -0.126 0.000 2.678 405 W HA 0.135 4.795 4.660 -0.000 0.000 0.282 405 W C -0.532 175.923 176.519 -0.106 0.000 1.137 405 W CA 0.573 57.826 57.345 -0.154 0.000 1.515 405 W CB 0.370 29.674 29.460 -0.260 0.000 1.101 405 W HN 0.333 nan 8.180 nan 0.000 0.564 406 S N 0.164 115.863 115.700 -0.002 0.000 2.575 406 S HA 0.289 4.759 4.470 -0.001 0.000 0.278 406 S C 0.222 174.868 174.600 0.076 0.000 1.139 406 S CA 0.034 58.203 58.200 -0.051 0.000 0.954 406 S CB 1.460 64.685 63.200 0.041 0.000 1.054 406 S HN 0.128 nan 8.310 nan 0.000 0.483 407 T N 0.257 114.866 114.554 0.092 0.000 3.086 407 T HA 0.247 4.596 4.350 -0.001 0.000 0.250 407 T C 0.303 175.158 174.700 0.258 0.000 1.074 407 T CA -0.076 62.142 62.100 0.197 0.000 0.988 407 T CB -0.083 68.905 68.868 0.200 0.000 0.988 407 T HN 0.502 nan 8.240 nan 0.000 0.530 408 D N 1.249 121.709 120.400 0.100 0.000 2.385 408 D HA 0.355 4.995 4.640 -0.001 0.000 0.254 408 D C -0.278 175.874 176.300 -0.247 0.000 1.053 408 D CA -0.702 53.272 54.000 -0.042 0.000 0.992 408 D CB 1.542 42.287 40.800 -0.092 0.000 1.145 408 D HN 0.107 nan 8.370 nan 0.000 0.523 409 K N 0.733 120.733 120.400 -0.666 0.000 2.436 409 K HA 0.103 4.422 4.320 -0.001 0.000 0.275 409 K C -0.284 176.204 176.600 -0.186 0.000 0.999 409 K CA 0.179 56.134 56.287 -0.554 0.000 0.980 409 K CB 0.464 32.597 32.500 -0.612 0.000 0.919 409 K HN 0.210 nan 8.250 nan 0.000 0.484 410 D N 1.575 121.935 120.400 -0.067 0.000 2.473 410 D HA 0.188 4.827 4.640 -0.001 0.000 0.253 410 D C 0.573 176.919 176.300 0.077 0.000 1.233 410 D CA -0.481 53.546 54.000 0.046 0.000 0.908 410 D CB 1.481 42.355 40.800 0.122 0.000 1.170 410 D HN 0.596 nan 8.370 nan 0.000 0.558 411 G N 2.920 111.776 108.800 0.094 0.000 2.464 411 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.217 411 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.217 411 G C 1.579 176.549 174.900 0.116 0.000 1.138 411 G CA 0.300 45.481 45.100 0.135 0.000 0.793 411 G HN 0.571 nan 8.290 nan 0.000 0.539 412 I N 1.493 122.127 120.570 0.107 0.000 2.233 412 I HA 0.037 4.207 4.170 -0.001 0.000 0.243 412 I C 1.870 177.991 176.117 0.006 0.000 1.093 412 I CA 0.236 61.562 61.300 0.043 0.000 1.380 412 I CB -0.259 37.749 38.000 0.015 0.000 1.067 412 I HN 0.244 nan 8.210 nan 0.000 0.413 416 L N 1.389 122.511 121.223 -0.168 0.000 2.191 416 L HA -0.138 4.201 4.340 -0.001 0.000 0.212 416 L C 2.313 179.163 176.870 -0.033 0.000 1.103 416 L CA 1.282 56.090 54.840 -0.053 0.000 0.769 416 L CB -0.401 41.653 42.059 -0.008 0.000 0.908 416 L HN 0.415 nan 8.230 nan 0.000 0.438 417 L N 0.182 121.409 121.223 0.008 0.000 2.083 417 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 417 L C 2.660 179.493 176.870 -0.063 0.000 1.083 417 L CA 1.897 56.728 54.840 -0.014 0.000 0.752 417 L CB -0.653 41.420 42.059 0.024 0.000 0.899 417 L HN 0.145 nan 8.230 nan 0.000 0.433 418 A N -0.521 122.319 122.820 0.034 0.000 1.940 418 A HA -0.164 4.156 4.320 -0.001 0.000 0.219 418 A C 2.418 179.998 177.584 -0.007 0.000 1.176 418 A CA 1.935 53.993 52.037 0.035 0.000 0.631 418 A CB -1.070 17.890 19.000 -0.066 0.000 0.814 418 A HN 0.576 nan 8.150 nan 0.000 0.446 419 A N -0.718 122.109 122.820 0.011 0.000 1.930 419 A HA -0.069 4.250 4.320 -0.001 0.000 0.215 419 A C 2.003 179.568 177.584 -0.032 0.000 1.176 419 A CA 1.490 53.552 52.037 0.041 0.000 0.632 419 A CB -0.451 18.620 19.000 0.119 0.000 0.819 419 A HN 0.653 nan 8.150 nan 0.000 0.445 420 E N 0.034 120.183 120.200 -0.086 0.000 2.085 420 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 420 E C 1.821 178.237 176.600 -0.306 0.000 0.994 420 E CA 1.364 57.679 56.400 -0.142 0.000 0.801 420 E CB -0.218 29.407 29.700 -0.125 0.000 0.743 420 E HN 0.662 nan 8.360 nan 0.000 0.453 421 I N 0.603 120.887 120.570 -0.477 0.000 2.226 421 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 421 I C 2.391 178.382 176.117 -0.209 0.000 1.100 421 I CA 1.427 62.323 61.300 -0.673 0.000 1.374 421 I CB -0.272 37.384 38.000 -0.572 0.000 1.057 421 I HN 0.168 nan 8.210 nan 0.000 0.413 422 T N 0.621 115.128 114.554 -0.079 0.000 2.777 422 T HA -0.089 4.261 4.350 -0.001 0.000 0.266 422 T C 2.055 176.759 174.700 0.007 0.000 1.040 422 T CA 1.296 63.404 62.100 0.012 0.000 1.141 422 T CB -0.296 68.589 68.868 0.029 0.000 0.868 422 T HN 0.446 nan 8.240 nan 0.000 0.444 423 A N 1.074 123.886 122.820 -0.015 0.000 1.858 423 A HA -0.040 4.279 4.320 -0.001 0.000 0.216 423 A C 2.585 180.176 177.584 0.012 0.000 1.190 423 A CA 1.418 53.458 52.037 0.004 0.000 0.617 423 A CB -1.047 17.956 19.000 0.005 0.000 0.827 423 A HN 0.336 nan 8.150 nan 0.000 0.443 424 V N 0.321 120.231 119.914 -0.007 0.000 2.453 424 V HA -0.166 3.954 4.120 -0.001 0.000 0.247 424 V C 2.798 178.931 176.094 0.065 0.000 1.048 424 V CA 2.328 64.646 62.300 0.029 0.000 1.049 424 V CB -0.939 30.905 31.823 0.034 0.000 0.672 424 V HN 0.853 nan 8.190 nan 0.000 0.457 425 T N -3.573 111.028 114.554 0.078 0.000 3.037 425 T HA 0.308 4.657 4.350 -0.001 0.000 0.251 425 T C 1.626 176.395 174.700 0.116 0.000 1.079 425 T CA 0.971 63.163 62.100 0.152 0.000 1.067 425 T CB 0.761 69.807 68.868 0.298 0.000 0.948 425 T HN 0.885 nan 8.240 nan 0.000 0.496 426 G N 1.444 110.289 108.800 0.075 0.000 2.184 426 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.264 426 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.264 426 G C -0.090 174.821 174.900 0.018 0.000 0.975 426 G CA 0.397 45.523 45.100 0.042 0.000 0.642 426 G HN 0.696 nan 8.290 nan 0.000 0.536 427 K N 0.649 121.063 120.400 0.024 0.000 2.324 427 K HA 0.450 4.769 4.320 -0.001 0.000 0.253 427 K C 0.137 176.726 176.600 -0.017 0.000 0.932 427 K CA -0.627 55.599 56.287 -0.103 0.000 0.799 427 K CB 1.336 33.580 32.500 -0.427 0.000 1.154 427 K HN 0.340 nan 8.250 nan 0.000 0.425 428 N N 1.704 120.399 118.700 -0.008 0.000 2.399 428 N HA 0.092 4.832 4.740 -0.001 0.000 0.250 428 N C -2.216 173.399 175.510 0.174 0.000 1.272 428 N CA -1.271 51.824 53.050 0.076 0.000 0.928 428 N CB 0.208 38.726 38.487 0.051 0.000 1.158 428 N HN 0.137 nan 8.380 nan 0.000 0.463 429 P HA -0.134 nan 4.420 nan 0.000 0.220 429 P C 1.189 178.678 177.300 0.315 0.000 1.148 429 P CA 1.188 64.496 63.100 0.346 0.000 0.803 429 P CB 0.176 32.098 31.700 0.369 0.000 0.782 430 Q N 0.672 120.597 119.800 0.209 0.000 2.079 430 Q HA -0.178 4.162 4.340 -0.001 0.000 0.200 430 Q C 1.969 178.077 176.000 0.180 0.000 0.974 430 Q CA 1.749 57.675 55.803 0.206 0.000 0.840 430 Q CB -0.833 27.986 28.738 0.134 0.000 0.898 430 Q HN 0.250 nan 8.270 nan 0.000 0.430 431 E N -0.840 119.408 120.200 0.080 0.000 2.097 431 E HA -0.240 4.109 4.350 -0.001 0.000 0.196 431 E C 2.044 178.629 176.600 -0.025 0.000 1.000 431 E CA 1.305 57.695 56.400 -0.016 0.000 0.804 431 E CB -0.221 29.406 29.700 -0.122 0.000 0.740 431 E HN 0.545 nan 8.360 nan 0.000 0.454 432 H N -0.904 118.239 119.070 0.122 0.000 2.357 432 H HA -0.128 4.428 4.556 -0.001 0.000 0.301 432 H C 1.930 177.337 175.328 0.132 0.000 1.082 432 H CA 1.335 57.455 56.048 0.120 0.000 1.342 432 H CB -0.370 29.474 29.762 0.137 0.000 1.389 432 H HN 0.290 nan 8.280 nan 0.000 0.511 433 Y N 2.289 122.706 120.300 0.195 0.000 2.181 433 Y HA -0.223 4.327 4.550 -0.001 0.000 0.288 433 Y C 2.129 178.067 175.900 0.063 0.000 1.146 433 Y CA 1.178 59.350 58.100 0.119 0.000 1.164 433 Y CB -0.054 38.466 38.460 0.099 0.000 0.982 433 Y HN 0.079 nan 8.280 nan 0.000 0.515 434 N N 0.705 119.456 118.700 0.085 0.000 2.094 434 N HA -0.206 4.534 4.740 -0.001 0.000 0.191 434 N C 1.583 177.047 175.510 -0.077 0.000 1.023 434 N CA 1.977 55.024 53.050 -0.005 0.000 0.857 434 N CB -0.378 38.136 38.487 0.045 0.000 1.013 434 N HN 0.590 nan 8.380 nan 0.000 0.426 435 E N 0.404 120.579 120.200 -0.041 0.000 2.072 435 E HA -0.065 4.285 4.350 -0.001 0.000 0.191 435 E C 2.096 178.655 176.600 -0.069 0.000 0.985 435 E CA 0.491 56.867 56.400 -0.038 0.000 0.801 435 E CB -0.146 29.563 29.700 0.015 0.000 0.750 435 E HN 0.305 nan 8.360 nan 0.000 0.452 436 L N 0.803 121.977 121.223 -0.081 0.000 2.012 436 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 436 L C 2.648 179.469 176.870 -0.080 0.000 1.073 436 L CA 1.177 55.995 54.840 -0.036 0.000 0.748 436 L CB -0.533 41.482 42.059 -0.074 0.000 0.891 436 L HN 0.152 nan 8.230 nan 0.000 0.431 437 A N -0.115 122.513 122.820 -0.319 0.000 1.933 437 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 437 A C 2.501 180.044 177.584 -0.068 0.000 1.175 437 A CA 1.675 53.588 52.037 -0.206 0.000 0.628 437 A CB -0.677 18.148 19.000 -0.292 0.000 0.814 437 A HN 0.421 nan 8.150 nan 0.000 0.444 438 A N -0.876 121.891 122.820 -0.088 0.000 1.972 438 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 438 A C 2.270 179.791 177.584 -0.105 0.000 1.169 438 A CA 1.534 53.529 52.037 -0.070 0.000 0.635 438 A CB -0.399 18.562 19.000 -0.066 0.000 0.810 438 A HN 0.501 nan 8.150 nan 0.000 0.446 439 R N -2.153 118.237 120.500 -0.182 0.000 2.080 439 R HA 0.054 4.394 4.340 -0.001 0.000 0.222 439 R C 0.971 176.995 176.300 -0.461 0.000 1.107 439 R CA 1.300 57.161 56.100 -0.399 0.000 0.980 439 R CB -0.089 29.828 30.300 -0.639 0.000 0.879 439 R HN 0.541 nan 8.270 nan 0.000 0.439 440 F N -0.790 119.174 119.950 0.022 0.000 2.720 440 F HA 0.365 4.891 4.527 -0.001 0.000 0.301 440 F C 0.759 176.675 175.800 0.193 0.000 1.103 440 F CA 0.536 58.575 58.000 0.064 0.000 1.291 440 F CB 0.987 40.026 39.000 0.065 0.000 1.086 440 F HN 0.168 nan 8.300 nan 0.000 0.592 441 G N 0.723 109.698 108.800 0.292 0.000 2.675 441 G HA2 0.255 4.215 3.960 -0.001 0.000 0.686 441 G HA3 0.255 4.215 3.960 -0.001 0.000 0.686 441 G C -0.808 174.209 174.900 0.196 0.000 1.215 441 G CA -0.854 44.404 45.100 0.264 0.000 0.777 441 G HN 0.527 nan 8.290 nan 0.000 0.638 442 A N 3.116 125.962 122.820 0.044 0.000 2.294 442 A HA 0.791 5.110 4.320 -0.001 0.000 0.316 442 A C -1.051 176.433 177.584 -0.166 0.000 1.359 442 A CA -0.903 51.106 52.037 -0.046 0.000 0.956 442 A CB 0.220 19.227 19.000 0.011 0.000 1.155 442 A HN 0.778 nan 8.150 nan 0.000 0.544 443 P HA 0.162 nan 4.420 nan 0.000 0.272 443 P C -0.174 177.041 177.300 -0.142 0.000 1.223 443 P CA -0.041 62.697 63.100 -0.604 0.000 0.784 443 P CB 1.163 32.230 31.700 -1.054 0.000 0.923 444 S N 1.694 117.346 115.700 -0.080 0.000 2.498 444 S HA 0.479 4.949 4.470 -0.001 0.000 0.317 444 S C -1.540 173.082 174.600 0.037 0.000 1.090 444 S CA -0.577 57.636 58.200 0.021 0.000 1.089 444 S CB -0.076 63.133 63.200 0.015 0.000 0.997 444 S HN 0.435 nan 8.310 nan 0.000 0.470 445 Y N 4.751 125.029 120.300 -0.038 0.000 2.425 445 Y HA 0.673 5.223 4.550 -0.001 0.000 0.344 445 Y C -0.463 175.418 175.900 -0.032 0.000 0.969 445 Y CA -0.584 57.491 58.100 -0.043 0.000 1.052 445 Y CB 1.557 40.036 38.460 0.032 0.000 1.215 445 Y HN 0.776 nan 8.280 nan 0.000 0.451 446 N N 3.303 121.905 118.700 -0.163 0.000 2.591 446 N HA 0.419 5.159 4.740 -0.001 0.000 0.263 446 N C -2.133 173.289 175.510 -0.147 0.000 1.308 446 N CA -0.875 52.157 53.050 -0.030 0.000 0.837 446 N CB 2.051 40.497 38.487 -0.068 0.000 1.548 446 N HN 0.789 nan 8.380 nan 0.000 0.493 447 R N 2.285 122.759 120.500 -0.043 0.000 2.599 447 R HA 0.630 4.969 4.340 -0.001 0.000 0.295 447 R C -1.171 175.025 176.300 -0.173 0.000 0.963 447 R CA -0.539 55.469 56.100 -0.153 0.000 0.883 447 R CB 0.859 31.093 30.300 -0.110 0.000 1.171 447 R HN 0.559 nan 8.270 nan 0.000 0.450 448 L N 2.593 123.674 121.223 -0.236 0.000 2.319 448 L HA 0.575 4.914 4.340 -0.001 0.000 0.267 448 L C -0.714 175.994 176.870 -0.270 0.000 1.011 448 L CA -0.962 53.753 54.840 -0.208 0.000 0.818 448 L CB 2.279 44.230 42.059 -0.179 0.000 1.316 448 L HN 0.654 nan 8.230 nan 0.000 0.432 449 Q N 0.935 120.568 119.800 -0.277 0.000 2.320 449 Q HA 0.755 5.094 4.340 -0.001 0.000 0.272 449 Q C -1.943 173.815 176.000 -0.404 0.000 1.023 449 Q CA -0.420 55.163 55.803 -0.367 0.000 0.855 449 Q CB 2.715 31.308 28.738 -0.242 0.000 1.367 449 Q HN 0.781 nan 8.270 nan 0.000 0.406 450 A N 1.788 124.204 122.820 -0.673 0.000 2.566 450 A HA 0.769 5.089 4.320 -0.001 0.000 0.292 450 A C -0.914 176.483 177.584 -0.312 0.000 1.112 450 A CA -0.441 51.343 52.037 -0.422 0.000 0.707 450 A CB 1.865 20.703 19.000 -0.269 0.000 1.302 450 A HN 0.640 nan 8.150 nan 0.000 0.409 451 S N -0.377 115.271 115.700 -0.086 0.000 2.568 451 S HA 0.561 5.031 4.470 -0.001 0.000 0.282 451 S C 0.055 174.738 174.600 0.138 0.000 1.338 451 S CA 0.491 58.698 58.200 0.012 0.000 1.045 451 S CB 0.329 63.537 63.200 0.014 0.000 0.873 451 S HN 2.249 nan 8.310 nan 0.000 0.516 452 A N 2.945 125.851 122.820 0.144 0.000 2.574 452 A HA 0.650 4.970 4.320 -0.001 0.000 0.297 452 A C 0.072 177.710 177.584 0.090 0.000 1.062 452 A CA -0.526 51.606 52.037 0.159 0.000 0.686 452 A CB 0.957 20.107 19.000 0.249 0.000 1.285 452 A HN 1.113 nan 8.150 nan 0.000 0.403 453 T N 0.050 114.641 114.554 0.062 0.000 2.856 453 T HA 0.334 4.683 4.350 -0.001 0.000 0.306 453 T C 1.354 176.081 174.700 0.045 0.000 1.062 453 T CA 0.349 62.475 62.100 0.044 0.000 1.083 453 T CB 0.584 69.470 68.868 0.030 0.000 0.984 453 T HN 0.844 nan 8.240 nan 0.000 0.542 454 S N 1.693 117.416 115.700 0.038 0.000 2.392 454 S HA -0.173 4.296 4.470 -0.001 0.000 0.232 454 S C 2.429 177.048 174.600 0.032 0.000 1.041 454 S CA 1.112 59.334 58.200 0.037 0.000 1.026 454 S CB -0.993 62.226 63.200 0.030 0.000 0.845 454 S HN 0.941 nan 8.310 nan 0.000 0.465 455 A N 1.300 124.136 122.820 0.026 0.000 1.898 455 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 455 A C 2.192 179.785 177.584 0.016 0.000 1.181 455 A CA 1.290 53.339 52.037 0.019 0.000 0.620 455 A CB -0.618 18.390 19.000 0.014 0.000 0.819 455 A HN 0.507 nan 8.150 nan 0.000 0.442 456 Q N -0.423 119.387 119.800 0.016 0.000 2.119 456 Q HA -0.138 4.201 4.340 -0.001 0.000 0.201 456 Q C 2.070 178.076 176.000 0.009 0.000 0.972 456 Q CA 1.579 57.383 55.803 0.002 0.000 0.847 456 Q CB -0.131 28.606 28.738 -0.002 0.000 0.903 456 Q HN 0.612 nan 8.270 nan 0.000 0.433 457 K N 0.014 120.437 120.400 0.039 0.000 2.057 457 K HA -0.133 4.187 4.320 -0.001 0.000 0.207 457 K C 2.040 178.668 176.600 0.047 0.000 1.049 457 K CA 1.150 57.472 56.287 0.059 0.000 0.931 457 K CB -0.116 32.429 32.500 0.074 0.000 0.714 457 K HN 0.148 nan 8.250 nan 0.000 0.440 458 A N 1.264 124.106 122.820 0.036 0.000 1.898 458 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 458 A C 2.326 179.926 177.584 0.025 0.000 1.181 458 A CA 1.698 53.755 52.037 0.033 0.000 0.620 458 A CB -0.600 18.416 19.000 0.027 0.000 0.819 458 A HN 0.333 nan 8.150 nan 0.000 0.442 459 A N -0.327 122.503 122.820 0.016 0.000 1.877 459 A HA -0.082 4.238 4.320 -0.001 0.000 0.216 459 A C 2.099 179.689 177.584 0.011 0.000 1.186 459 A CA 1.758 53.801 52.037 0.009 0.000 0.620 459 A CB -0.720 18.279 19.000 -0.002 0.000 0.822 459 A HN 0.705 nan 8.150 nan 0.000 0.443 460 L N 1.027 122.255 121.223 0.009 0.000 2.129 460 L HA -0.163 4.177 4.340 -0.001 0.000 0.212 460 L C 2.553 179.446 176.870 0.038 0.000 1.087 460 L CA 2.676 57.525 54.840 0.016 0.000 0.757 460 L CB -0.526 41.541 42.059 0.014 0.000 0.896 460 L HN 0.514 nan 8.230 nan 0.000 0.434 461 S N -2.502 113.223 115.700 0.042 0.000 2.562 461 S HA 0.024 4.493 4.470 -0.001 0.000 0.221 461 S C 1.435 176.054 174.600 0.032 0.000 0.975 461 S CA 0.164 58.391 58.200 0.045 0.000 0.918 461 S CB -0.198 63.033 63.200 0.052 0.000 0.772 461 S HN 0.383 nan 8.310 nan 0.000 0.531 462 K N 1.026 121.440 120.400 0.025 0.000 2.506 462 K HA 0.416 4.736 4.320 -0.001 0.000 0.204 462 K C -0.064 176.544 176.600 0.012 0.000 1.045 462 K CA -0.177 56.120 56.287 0.018 0.000 1.074 462 K CB 0.372 32.883 32.500 0.017 0.000 0.842 462 K HN 0.411 nan 8.250 nan 0.000 0.514 463 L N 0.827 122.058 121.223 0.013 0.000 2.479 463 L HA 0.098 4.438 4.340 -0.001 0.000 0.270 463 L C 0.826 177.699 176.870 0.005 0.000 1.236 463 L CA 0.122 54.968 54.840 0.010 0.000 0.823 463 L CB 0.293 42.361 42.059 0.015 0.000 1.098 463 L HN -0.066 nan 8.230 nan 0.000 0.500 464 S N 0.126 115.828 115.700 0.003 0.000 2.482 464 S HA 0.423 4.893 4.470 -0.001 0.000 0.303 464 S C -1.556 173.043 174.600 -0.002 0.000 1.091 464 S CA -1.601 56.599 58.200 -0.001 0.000 1.057 464 S CB 1.522 64.722 63.200 -0.001 0.000 1.031 464 S HN 0.379 nan 8.310 nan 0.000 0.485 465 P HA -0.161 nan 4.420 nan 0.000 0.216 465 P C 0.584 177.882 177.300 -0.003 0.000 1.154 465 P CA 1.208 64.302 63.100 -0.011 0.000 0.865 465 P CB -0.256 31.432 31.700 -0.020 0.000 0.789 469 S N 1.563 117.281 115.700 0.030 0.000 2.548 469 S HA 0.406 4.876 4.470 -0.001 0.000 0.215 469 S C 0.980 175.597 174.600 0.028 0.000 0.976 469 S CA 0.415 58.630 58.200 0.024 0.000 0.908 469 S CB 0.571 63.782 63.200 0.019 0.000 0.781 469 S HN 1.428 nan 8.310 nan 0.000 0.519 470 A N 2.156 124.999 122.820 0.039 0.000 2.445 470 A HA 0.518 4.838 4.320 -0.001 0.000 0.242 470 A C 1.304 178.913 177.584 0.041 0.000 1.075 470 A CA 0.096 52.159 52.037 0.044 0.000 0.777 470 A CB 0.263 19.301 19.000 0.062 0.000 1.013 470 A HN 0.547 nan 8.150 nan 0.000 0.493 471 S N 0.014 115.736 115.700 0.038 0.000 2.497 471 S HA 0.191 4.661 4.470 -0.001 0.000 0.218 471 S C 0.683 175.310 174.600 0.044 0.000 1.023 471 S CA 0.671 58.892 58.200 0.035 0.000 0.913 471 S CB -0.352 62.865 63.200 0.028 0.000 0.800 471 S HN 1.372 nan 8.310 nan 0.000 0.505 472 T N 0.014 114.599 114.554 0.052 0.000 2.906 472 T HA 0.741 5.091 4.350 -0.001 0.000 0.295 472 T C -1.327 173.420 174.700 0.078 0.000 1.061 472 T CA -0.836 61.301 62.100 0.062 0.000 1.000 472 T CB 1.866 70.767 68.868 0.056 0.000 1.103 472 T HN 0.218 nan 8.240 nan 0.000 0.486 473 L N 2.166 123.445 121.223 0.093 0.000 2.439 473 L HA 0.714 5.053 4.340 -0.001 0.000 0.270 473 L C 0.499 177.419 176.870 0.084 0.000 0.972 473 L CA 0.498 55.400 54.840 0.104 0.000 0.836 473 L CB 1.080 43.230 42.059 0.153 0.000 1.255 473 L HN 1.520 nan 8.230 nan 0.000 0.404 474 A N 3.863 126.703 122.820 0.033 0.000 2.704 474 A HA 0.140 4.460 4.320 -0.001 0.000 0.299 474 A C 1.558 179.224 177.584 0.138 0.000 1.507 474 A CA 1.513 53.549 52.037 -0.002 0.000 0.776 474 A CB -2.205 16.630 19.000 -0.275 0.000 1.027 474 A HN 2.626 nan 8.150 nan 0.000 0.475 475 G N -1.980 106.884 108.800 0.107 0.000 2.176 475 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.253 475 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.253 475 G C -0.236 174.730 174.900 0.109 0.000 0.979 475 G CA 0.612 45.777 45.100 0.109 0.000 0.641 475 G HN 1.077 nan 8.290 nan 0.000 0.530 476 D N 0.814 121.290 120.400 0.128 0.000 2.340 476 D HA 0.509 5.149 4.640 -0.001 0.000 0.240 476 D C -2.702 173.648 176.300 0.083 0.000 1.001 476 D CA -1.354 52.707 54.000 0.103 0.000 0.888 476 D CB 2.122 42.997 40.800 0.125 0.000 1.310 476 D HN 0.026 nan 8.370 nan 0.000 0.474 477 P HA 0.198 nan 4.420 nan 0.000 0.276 477 P C 0.139 177.473 177.300 0.056 0.000 1.230 477 P CA -0.216 62.915 63.100 0.052 0.000 0.776 477 P CB 0.631 32.353 31.700 0.038 0.000 0.888 478 I N 2.673 123.274 120.570 0.052 0.000 2.662 478 I HA -0.070 4.099 4.170 -0.001 0.000 0.285 478 I C 1.691 177.825 176.117 0.029 0.000 1.161 478 I CA 0.667 61.994 61.300 0.045 0.000 1.415 478 I CB 0.123 38.147 38.000 0.040 0.000 1.385 478 I HN 0.467 nan 8.210 nan 0.000 0.552 479 T N 2.171 116.741 114.554 0.027 0.000 3.065 479 T HA 0.461 4.811 4.350 -0.001 0.000 0.252 479 T C 0.407 175.104 174.700 -0.005 0.000 1.099 479 T CA 0.133 62.240 62.100 0.011 0.000 1.063 479 T CB 0.375 69.251 68.868 0.014 0.000 0.948 479 T HN 0.686 nan 8.240 nan 0.000 0.506 480 A N 0.774 123.586 122.820 -0.012 0.000 2.577 480 A HA 0.731 5.050 4.320 -0.001 0.000 0.297 480 A C -1.302 176.253 177.584 -0.047 0.000 1.060 480 A CA -1.174 50.843 52.037 -0.033 0.000 0.697 480 A CB 1.203 20.175 19.000 -0.047 0.000 1.281 480 A HN 0.289 nan 8.150 nan 0.000 0.402 481 R N 1.291 121.762 120.500 -0.049 0.000 2.388 481 R HA 0.660 4.999 4.340 -0.001 0.000 0.314 481 R C -1.407 174.854 176.300 -0.064 0.000 0.959 481 R CA -0.316 55.749 56.100 -0.060 0.000 0.851 481 R CB 1.560 31.841 30.300 -0.031 0.000 1.168 481 R HN 0.613 nan 8.270 nan 0.000 0.472 482 L N 1.966 123.138 121.223 -0.086 0.000 2.386 482 L HA 0.475 4.815 4.340 -0.001 0.000 0.271 482 L C 0.870 177.698 176.870 -0.070 0.000 0.993 482 L CA -0.565 54.226 54.840 -0.082 0.000 0.819 482 L CB 2.427 44.422 42.059 -0.107 0.000 1.294 482 L HN 0.732 nan 8.230 nan 0.000 0.414 483 T N -2.080 112.440 114.554 -0.057 0.000 3.040 483 T HA 0.532 4.882 4.350 -0.001 0.000 0.266 483 T C 0.171 174.834 174.700 -0.062 0.000 1.005 483 T CA -0.044 62.029 62.100 -0.045 0.000 0.906 483 T CB 0.700 69.553 68.868 -0.026 0.000 1.082 483 T HN 0.540 nan 8.240 nan 0.000 0.531 484 A N 0.831 123.601 122.820 -0.084 0.000 2.498 484 A HA 0.903 5.222 4.320 -0.001 0.000 0.298 484 A C -0.196 177.303 177.584 -0.141 0.000 1.075 484 A CA -0.749 51.221 52.037 -0.112 0.000 0.714 484 A CB 1.184 20.129 19.000 -0.093 0.000 1.299 484 A HN 0.667 nan 8.150 nan 0.000 0.407 485 A N 2.573 125.277 122.820 -0.194 0.000 2.450 485 A HA 0.569 4.889 4.320 -0.001 0.000 0.255 485 A C -1.329 176.158 177.584 -0.161 0.000 1.096 485 A CA -1.004 50.907 52.037 -0.209 0.000 0.778 485 A CB -0.179 18.639 19.000 -0.303 0.000 1.031 485 A HN 0.562 nan 8.150 nan 0.000 0.494 486 P HA -0.072 nan 4.420 nan 0.000 0.221 486 P C 1.470 178.720 177.300 -0.083 0.000 1.150 486 P CA 1.661 64.700 63.100 -0.101 0.000 0.800 486 P CB 0.113 31.754 31.700 -0.099 0.000 0.787 487 G N 1.522 110.271 108.800 -0.084 0.000 2.424 487 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.214 487 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.214 487 G C 1.254 176.133 174.900 -0.035 0.000 1.202 487 G CA 0.810 45.888 45.100 -0.037 0.000 0.793 487 G HN 0.400 nan 8.290 nan 0.000 0.534 488 N N -0.532 118.120 118.700 -0.081 0.000 2.205 488 N HA 0.221 4.960 4.740 -0.001 0.000 0.201 488 N C 1.485 176.932 175.510 -0.106 0.000 1.128 488 N CA 0.790 53.795 53.050 -0.075 0.000 0.867 488 N CB 0.118 38.567 38.487 -0.063 0.000 0.996 488 N HN 0.573 nan 8.380 nan 0.000 0.503 489 G N -0.532 108.191 108.800 -0.128 0.000 2.189 489 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.267 489 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.267 489 G C 0.325 175.139 174.900 -0.143 0.000 0.975 489 G CA 0.399 45.432 45.100 -0.112 0.000 0.644 489 G HN 0.856 nan 8.290 nan 0.000 0.537 490 A N 0.103 122.776 122.820 -0.245 0.000 2.371 490 A HA 0.715 5.035 4.320 -0.001 0.000 0.257 490 A C 0.987 178.423 177.584 -0.247 0.000 1.089 490 A CA 1.034 52.903 52.037 -0.281 0.000 0.794 490 A CB 0.623 19.258 19.000 -0.609 0.000 1.029 490 A HN 1.648 nan 8.150 nan 0.000 0.488 491 S N 0.556 116.176 115.700 -0.133 0.000 2.552 491 S HA 0.089 4.559 4.470 -0.001 0.000 0.289 491 S C 1.199 175.730 174.600 -0.114 0.000 1.304 491 S CA 0.318 58.465 58.200 -0.088 0.000 1.063 491 S CB -0.282 62.905 63.200 -0.022 0.000 0.848 491 S HN 0.893 nan 8.310 nan 0.000 0.499 492 I N 2.585 123.096 120.570 -0.098 0.000 3.419 492 I HA 0.355 4.525 4.170 -0.001 0.000 0.286 492 I C 1.253 177.364 176.117 -0.010 0.000 1.268 492 I CA 0.288 61.535 61.300 -0.087 0.000 1.414 492 I CB -0.909 37.030 38.000 -0.101 0.000 1.074 492 I HN 0.832 nan 8.210 nan 0.000 0.457 493 G N 1.450 110.256 108.800 0.009 0.000 2.314 493 G HA2 0.043 4.003 3.960 -0.001 0.000 0.292 493 G HA3 0.043 4.003 3.960 -0.001 0.000 0.292 493 G C 0.260 175.195 174.900 0.059 0.000 1.059 493 G CA 0.198 45.324 45.100 0.042 0.000 0.982 493 G HN 1.204 nan 8.290 nan 0.000 0.505 494 G N -1.432 107.396 108.800 0.047 0.000 2.455 494 G HA2 0.537 4.497 3.960 -0.001 0.000 0.223 494 G HA3 0.537 4.497 3.960 -0.001 0.000 0.223 494 G C -1.679 173.253 174.900 0.052 0.000 1.226 494 G CA -0.153 44.992 45.100 0.075 0.000 0.948 494 G HN 1.218 nan 8.290 nan 0.000 0.478 495 L N 0.667 121.938 121.223 0.080 0.000 2.436 495 L HA 0.796 5.136 4.340 -0.001 0.000 0.268 495 L C -1.191 175.668 176.870 -0.019 0.000 0.974 495 L CA -0.679 54.183 54.840 0.037 0.000 0.826 495 L CB 1.893 44.009 42.059 0.095 0.000 1.291 495 L HN 0.791 nan 8.230 nan 0.000 0.406 496 K N 3.699 124.027 120.400 -0.119 0.000 2.345 496 K HA 0.732 5.051 4.320 -0.001 0.000 0.255 496 K C -1.593 174.817 176.600 -0.318 0.000 0.934 496 K CA -0.500 55.656 56.287 -0.218 0.000 0.801 496 K CB 2.226 34.632 32.500 -0.157 0.000 1.137 496 K HN 0.462 nan 8.250 nan 0.000 0.424 500 D N 0.239 120.689 120.400 0.083 0.000 2.219 500 D HA 0.008 4.647 4.640 -0.001 0.000 0.205 500 D C 1.417 177.761 176.300 0.074 0.000 0.970 500 D CA 1.291 55.323 54.000 0.053 0.000 0.851 500 D CB -0.231 40.586 40.800 0.027 0.000 0.943 500 D HN 0.628 nan 8.370 nan 0.000 0.488 501 N N -0.737 118.043 118.700 0.132 0.000 2.254 501 N HA 0.280 5.020 4.740 -0.001 0.000 0.190 501 N C 0.753 176.451 175.510 0.314 0.000 1.107 501 N CA 0.071 53.223 53.050 0.170 0.000 0.869 501 N CB 1.405 39.932 38.487 0.066 0.000 0.983 501 N HN 0.041 nan 8.380 nan 0.000 0.487 502 G N 0.223 109.217 108.800 0.323 0.000 2.441 502 G HA2 0.380 4.340 3.960 -0.001 0.000 0.294 502 G HA3 0.380 4.340 3.960 -0.001 0.000 0.294 502 G C -2.337 172.747 174.900 0.306 0.000 1.393 502 G CA -0.940 44.332 45.100 0.286 0.000 0.796 502 G HN 0.156 nan 8.290 nan 0.000 0.494 503 W N -1.139 120.249 121.300 0.147 0.000 3.005 503 W HA 0.744 5.404 4.660 -0.001 0.000 0.343 503 W C -2.060 174.547 176.519 0.146 0.000 1.243 503 W CA -1.684 55.708 57.345 0.079 0.000 1.186 503 W CB 0.956 30.433 29.460 0.029 0.000 1.453 503 W HN 0.962 nan 8.180 nan 0.000 0.575 504 F N 0.524 120.672 119.950 0.330 0.000 2.613 504 F HA 0.916 5.443 4.527 -0.001 0.000 0.314 504 F C -1.335 174.766 175.800 0.500 0.000 1.075 504 F CA -1.598 56.546 58.000 0.241 0.000 0.945 504 F CB 1.394 40.421 39.000 0.044 0.000 1.310 504 F HN 0.665 nan 8.300 nan 0.000 0.467 505 A N 1.689 124.952 122.820 0.738 0.000 2.393 505 A HA 0.930 5.250 4.320 -0.001 0.000 0.306 505 A C -1.341 176.640 177.584 0.662 0.000 1.050 505 A CA -0.383 51.966 52.037 0.520 0.000 0.724 505 A CB 1.050 20.279 19.000 0.381 0.000 1.248 505 A HN 1.730 nan 8.150 nan 0.000 0.424 506 A N 2.055 125.192 122.820 0.528 0.000 2.350 506 A HA 0.923 5.242 4.320 -0.001 0.000 0.324 506 A C -0.074 177.709 177.584 0.333 0.000 1.118 506 A CA -0.628 51.672 52.037 0.439 0.000 0.783 506 A CB 1.137 20.367 19.000 0.384 0.000 1.236 506 A HN 0.902 nan 8.150 nan 0.000 0.457 507 R N 1.660 122.361 120.500 0.335 0.000 2.594 507 R HA 0.458 4.798 4.340 -0.001 0.000 0.265 507 R C -3.150 173.301 176.300 0.252 0.000 1.070 507 R CA -1.645 54.617 56.100 0.270 0.000 0.909 507 R CB 2.812 33.294 30.300 0.303 0.000 1.243 507 R HN 0.560 nan 8.270 nan 0.000 0.455 508 P HA 0.004 nan 4.420 nan 0.000 0.275 508 P C -0.509 176.882 177.300 0.151 0.000 1.227 508 P CA -0.099 63.107 63.100 0.175 0.000 0.781 508 P CB 1.368 33.144 31.700 0.127 0.000 0.906 509 S N 1.603 117.378 115.700 0.126 0.000 2.560 509 S HA 0.189 4.659 4.470 -0.001 0.000 0.284 509 S C 1.793 176.445 174.600 0.086 0.000 1.327 509 S CA 0.189 58.446 58.200 0.094 0.000 1.055 509 S CB -0.439 62.796 63.200 0.058 0.000 0.868 509 S HN 0.585 nan 8.310 nan 0.000 0.506 510 G N 2.088 110.938 108.800 0.082 0.000 2.712 510 G HA2 0.037 3.996 3.960 -0.001 0.000 0.212 510 G HA3 0.037 3.996 3.960 -0.001 0.000 0.212 510 G C 1.112 176.044 174.900 0.054 0.000 1.142 510 G CA 0.765 45.907 45.100 0.069 0.000 0.789 510 G HN 0.848 nan 8.290 nan 0.000 0.535 511 T N -2.498 112.085 114.554 0.049 0.000 2.987 511 T HA 0.279 4.628 4.350 -0.001 0.000 0.248 511 T C 0.645 175.366 174.700 0.034 0.000 0.997 511 T CA -0.153 61.970 62.100 0.038 0.000 1.013 511 T CB 0.583 69.469 68.868 0.030 0.000 1.077 511 T HN 0.327 nan 8.240 nan 0.000 0.483 512 E N 1.301 121.521 120.200 0.034 0.000 2.299 512 E HA 0.399 4.749 4.350 -0.001 0.000 0.260 512 E C -1.260 175.363 176.600 0.037 0.000 0.944 512 E CA -1.031 55.385 56.400 0.028 0.000 0.815 512 E CB 0.942 30.650 29.700 0.013 0.000 1.252 512 E HN 0.023 nan 8.360 nan 0.000 0.418 513 D N 1.111 121.531 120.400 0.033 0.000 2.608 513 D HA 0.350 4.990 4.640 -0.001 0.000 0.224 513 D C -0.776 175.554 176.300 0.051 0.000 1.123 513 D CA 0.303 54.330 54.000 0.045 0.000 1.030 513 D CB 0.140 40.962 40.800 0.037 0.000 1.093 513 D HN 0.435 nan 8.370 nan 0.000 0.497 514 A N 1.418 124.277 122.820 0.065 0.000 2.610 514 A HA 0.639 4.958 4.320 -0.001 0.000 0.291 514 A C -1.582 176.072 177.584 0.116 0.000 1.086 514 A CA -1.017 51.044 52.037 0.041 0.000 0.677 514 A CB 1.312 20.287 19.000 -0.043 0.000 1.278 514 A HN 0.271 nan 8.150 nan 0.000 0.414 515 Y N -0.749 119.556 120.300 0.009 0.000 2.536 515 Y HA 0.859 5.409 4.550 -0.001 0.000 0.347 515 Y C -0.550 175.343 175.900 -0.011 0.000 1.000 515 Y CA -1.032 57.080 58.100 0.019 0.000 1.051 515 Y CB 1.548 40.024 38.460 0.027 0.000 1.259 515 Y HN 0.580 nan 8.280 nan 0.000 0.468 516 K N 3.086 123.509 120.400 0.038 0.000 2.318 516 K HA 0.689 5.009 4.320 -0.001 0.000 0.249 516 K C -1.514 175.072 176.600 -0.023 0.000 0.942 516 K CA -0.723 55.476 56.287 -0.145 0.000 0.808 516 K CB 2.572 34.943 32.500 -0.216 0.000 1.189 516 K HN 0.717 nan 8.250 nan 0.000 0.428 517 I N 2.915 123.384 120.570 -0.168 0.000 2.466 517 I HA 0.303 4.473 4.170 -0.001 0.000 0.289 517 I C -1.240 174.763 176.117 -0.189 0.000 1.026 517 I CA -0.879 60.417 61.300 -0.007 0.000 1.078 517 I CB 1.186 39.191 38.000 0.007 0.000 1.249 517 I HN 0.502 nan 8.210 nan 0.000 0.429 518 Y N 4.629 125.007 120.300 0.130 0.000 2.341 518 Y HA 0.575 5.124 4.550 -0.001 0.000 0.337 518 Y C 0.018 175.768 175.900 -0.250 0.000 1.014 518 Y CA -0.681 57.410 58.100 -0.014 0.000 1.111 518 Y CB 1.585 40.192 38.460 0.245 0.000 1.194 518 Y HN 0.459 nan 8.280 nan 0.000 0.462 519 C N 1.939 120.912 119.300 -0.545 0.000 2.898 519 C HA 0.720 5.179 4.460 -0.001 0.000 0.304 519 C C -0.662 173.656 174.990 -1.120 0.000 1.237 519 C CA -1.070 57.496 59.018 -0.752 0.000 1.529 519 C CB 1.877 29.389 27.740 -0.380 0.000 2.021 519 C HN 0.904 nan 8.230 nan 0.000 0.474 520 E N 0.720 120.231 120.200 -1.148 0.000 2.335 520 E HA 0.530 4.880 4.350 -0.001 0.000 0.280 520 E C -1.565 174.833 176.600 -0.337 0.000 0.918 520 E CA 0.113 56.099 56.400 -0.691 0.000 0.765 520 E CB 1.977 31.345 29.700 -0.554 0.000 1.218 520 E HN 0.740 nan 8.360 nan 0.000 0.425 521 S N 3.459 119.108 115.700 -0.085 0.000 2.513 521 S HA 0.463 4.933 4.470 -0.001 0.000 0.299 521 S C -0.540 174.133 174.600 0.122 0.000 1.087 521 S CA -0.524 57.764 58.200 0.148 0.000 1.012 521 S CB 0.682 64.047 63.200 0.275 0.000 1.044 521 S HN 0.525 nan 8.310 nan 0.000 0.485 522 F N 3.044 123.071 119.950 0.130 0.000 2.765 522 F HA 0.342 4.869 4.527 -0.001 0.000 0.302 522 F C 1.050 176.882 175.800 0.055 0.000 1.111 522 F CA 0.091 58.155 58.000 0.106 0.000 1.359 522 F CB 0.328 39.395 39.000 0.112 0.000 1.097 522 F HN 0.474 nan 8.300 nan 0.000 0.577 523 L N -1.081 120.224 121.223 0.137 0.000 2.408 523 L HA 0.449 4.789 4.340 -0.001 0.000 0.215 523 L C 1.234 178.137 176.870 0.056 0.000 1.081 523 L CA 0.637 55.489 54.840 0.021 0.000 0.840 523 L CB -0.562 41.357 42.059 -0.234 0.000 1.002 523 L HN 0.089 nan 8.230 nan 0.000 0.468 524 G N -1.253 107.600 108.800 0.088 0.000 2.315 524 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.296 524 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.296 524 G C 0.195 175.141 174.900 0.076 0.000 1.289 524 G CA -0.073 45.067 45.100 0.065 0.000 0.996 524 G HN -0.123 nan 8.290 nan 0.000 0.487 525 E N -0.437 119.793 120.200 0.051 0.000 2.107 525 E HA -0.094 4.255 4.350 -0.001 0.000 0.191 525 E C 2.038 178.656 176.600 0.030 0.000 0.982 525 E CA 1.372 57.791 56.400 0.031 0.000 0.809 525 E CB 0.032 29.745 29.700 0.022 0.000 0.756 525 E HN 0.420 nan 8.360 nan 0.000 0.459 526 E N -0.302 119.928 120.200 0.051 0.000 2.158 526 E HA -0.155 4.195 4.350 -0.001 0.000 0.191 526 E C 1.863 178.499 176.600 0.061 0.000 0.982 526 E CA 0.839 57.265 56.400 0.043 0.000 0.823 526 E CB -0.459 29.269 29.700 0.046 0.000 0.766 526 E HN 0.386 nan 8.360 nan 0.000 0.468 527 H N 1.280 120.351 119.070 0.002 0.000 2.326 527 H HA 0.042 4.597 4.556 -0.001 0.000 0.301 527 H C 2.176 177.497 175.328 -0.012 0.000 1.081 527 H CA 1.908 57.959 56.048 0.006 0.000 1.334 527 H CB 0.160 29.936 29.762 0.023 0.000 1.385 527 H HN -0.068 nan 8.280 nan 0.000 0.504 528 R N 0.702 121.186 120.500 -0.027 0.000 2.091 528 R HA -0.132 4.208 4.340 -0.001 0.000 0.238 528 R C 2.058 178.272 176.300 -0.144 0.000 1.136 528 R CA 1.678 57.707 56.100 -0.118 0.000 0.959 528 R CB -0.023 30.232 30.300 -0.075 0.000 0.856 528 R HN 0.344 nan 8.270 nan 0.000 0.437 529 K N -0.050 120.294 120.400 -0.093 0.000 2.097 529 K HA -0.208 4.112 4.320 -0.001 0.000 0.206 529 K C 2.126 178.662 176.600 -0.107 0.000 1.049 529 K CA 1.381 57.615 56.287 -0.089 0.000 0.933 529 K CB -0.068 32.401 32.500 -0.052 0.000 0.717 529 K HN 0.076 nan 8.250 nan 0.000 0.442 530 Q N 1.291 121.018 119.800 -0.121 0.000 2.119 530 Q HA -0.052 4.288 4.340 -0.001 0.000 0.201 530 Q C 1.770 177.669 176.000 -0.169 0.000 0.972 530 Q CA 1.252 56.978 55.803 -0.129 0.000 0.847 530 Q CB -0.103 28.569 28.738 -0.111 0.000 0.903 530 Q HN 0.299 nan 8.270 nan 0.000 0.433 531 I N 0.233 120.660 120.570 -0.238 0.000 2.208 531 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 531 I C 2.034 178.037 176.117 -0.190 0.000 1.097 531 I CA 1.525 62.714 61.300 -0.185 0.000 1.363 531 I CB -0.381 37.508 38.000 -0.184 0.000 1.051 531 I HN 0.321 nan 8.210 nan 0.000 0.413 532 E N 0.900 120.987 120.200 -0.188 0.000 2.038 532 E HA -0.297 4.052 4.350 -0.001 0.000 0.195 532 E C 2.177 178.665 176.600 -0.188 0.000 1.000 532 E CA 1.406 57.690 56.400 -0.195 0.000 0.803 532 E CB -0.162 29.448 29.700 -0.151 0.000 0.750 532 E HN 0.376 nan 8.360 nan 0.000 0.448 533 K N 1.122 121.437 120.400 -0.141 0.000 2.032 533 K HA -0.224 4.095 4.320 -0.001 0.000 0.209 533 K C 1.965 178.489 176.600 -0.127 0.000 1.048 533 K CA 1.697 57.917 56.287 -0.112 0.000 0.927 533 K CB 0.042 32.495 32.500 -0.080 0.000 0.712 533 K HN 0.074 nan 8.250 nan 0.000 0.441 534 E N -0.252 119.869 120.200 -0.131 0.000 2.150 534 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 534 E C 1.910 178.376 176.600 -0.223 0.000 0.985 534 E CA 0.830 57.160 56.400 -0.117 0.000 0.814 534 E CB -0.053 29.615 29.700 -0.053 0.000 0.752 534 E HN 0.429 nan 8.360 nan 0.000 0.466 535 A N 0.937 123.486 122.820 -0.450 0.000 1.902 535 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 535 A C 2.493 179.774 177.584 -0.505 0.000 1.181 535 A CA 1.063 52.513 52.037 -0.977 0.000 0.623 535 A CB -0.652 17.438 19.000 -1.517 0.000 0.818 535 A HN 0.114 nan 8.150 nan 0.000 0.443 536 V N 0.083 119.824 119.914 -0.288 0.000 2.332 536 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 536 V C 2.521 178.546 176.094 -0.115 0.000 1.055 536 V CA 2.400 64.620 62.300 -0.134 0.000 1.038 536 V CB -0.722 31.062 31.823 -0.064 0.000 0.651 536 V HN 0.765 nan 8.190 nan 0.000 0.450 537 E N -0.051 120.082 120.200 -0.112 0.000 2.058 537 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 537 E C 2.196 178.760 176.600 -0.060 0.000 0.997 537 E CA 1.816 58.174 56.400 -0.070 0.000 0.801 537 E CB -0.157 29.511 29.700 -0.055 0.000 0.746 537 E HN 0.609 nan 8.360 nan 0.000 0.450 538 I N 0.212 120.742 120.570 -0.067 0.000 2.142 538 I HA -0.259 3.911 4.170 -0.001 0.000 0.240 538 I C 2.419 178.526 176.117 -0.016 0.000 1.078 538 I CA 0.704 62.004 61.300 -0.000 0.000 1.343 538 I CB -0.199 37.866 38.000 0.108 0.000 1.046 538 I HN 0.064 nan 8.210 nan 0.000 0.405 539 V N 0.218 120.088 119.914 -0.073 0.000 2.287 539 V HA -0.305 3.815 4.120 -0.001 0.000 0.248 539 V C 2.563 178.566 176.094 -0.152 0.000 1.053 539 V CA 2.217 64.442 62.300 -0.124 0.000 1.027 539 V CB -0.643 31.038 31.823 -0.237 0.000 0.646 539 V HN 0.380 nan 8.190 nan 0.000 0.447 540 S N -0.527 115.095 115.700 -0.131 0.000 2.359 540 S HA -0.284 4.186 4.470 -0.001 0.000 0.223 540 S C 2.072 176.634 174.600 -0.064 0.000 1.039 540 S CA 1.921 60.063 58.200 -0.096 0.000 1.042 540 S CB -0.430 62.734 63.200 -0.060 0.000 0.915 540 S HN 0.777 nan 8.310 nan 0.000 0.439 541 E N 1.563 121.737 120.200 -0.043 0.000 2.038 541 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 541 E C 2.224 178.811 176.600 -0.022 0.000 1.000 541 E CA 2.039 58.424 56.400 -0.024 0.000 0.803 541 E CB -0.423 29.271 29.700 -0.010 0.000 0.750 541 E HN 0.483 nan 8.360 nan 0.000 0.448 542 V N -0.331 119.570 119.914 -0.022 0.000 2.759 542 V HA -0.065 4.055 4.120 -0.001 0.000 0.256 542 V C 2.084 178.160 176.094 -0.030 0.000 1.080 542 V CA 1.107 63.397 62.300 -0.015 0.000 1.101 542 V CB -0.611 31.213 31.823 0.001 0.000 0.698 542 V HN 0.151 nan 8.190 nan 0.000 0.477 543 L N 0.304 121.493 121.223 -0.056 0.000 3.001 543 L HA 0.322 4.661 4.340 -0.001 0.000 0.234 543 L C 1.796 178.640 176.870 -0.044 0.000 1.321 543 L CA -0.044 54.760 54.840 -0.061 0.000 1.138 543 L CB -0.216 41.777 42.059 -0.111 0.000 1.503 543 L HN 0.246 nan 8.230 nan 0.000 0.487 544 K N 1.485 121.868 120.400 -0.029 0.000 2.211 544 K HA -0.112 4.208 4.320 -0.001 0.000 0.203 544 K C 0.653 177.245 176.600 -0.014 0.000 1.050 544 K CA 0.847 57.122 56.287 -0.019 0.000 0.945 544 K CB 0.214 32.706 32.500 -0.013 0.000 0.732 544 K HN 0.609 nan 8.250 nan 0.000 0.451 545 N N -1.359 117.334 118.700 -0.012 0.000 2.238 545 N HA 0.539 5.279 4.740 -0.001 0.000 0.302 545 N C -1.160 174.347 175.510 -0.005 0.000 1.072 545 N CA -0.290 52.756 53.050 -0.006 0.000 0.792 545 N CB 2.112 40.597 38.487 -0.004 0.000 1.425 545 N HN 0.103 nan 8.380 nan 0.000 0.478 546 A N 0.000 122.819 122.820 -0.001 0.000 2.254 546 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 546 A CA 0.000 52.038 52.037 0.003 0.000 0.836 546 A CB 0.000 19.002 19.000 0.004 0.000 0.831 546 A HN 0.000 nan 8.150 nan 0.000 0.486