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 2wda_1_A DATA FIRST_RESID 24 DATA SEQUENCE ADPYDALRRR WLGITLGTGY DPAAEPYASR LAETGERARE HRATMAPTPT DATA SEQUENCE SLWPGHPFDP PAGITFAYGR LWTMTEAYVQ EGTGATGDPA LLADILRGLD DATA SEQUENCE HLSATVYHPA TTRYGNWWEW QIGSPRLLMD ITAALYDHLG ADRVAAACAA DATA SEQUENCE VDHFVPDAML GAYTGTSTGA NRVDLCRSVA LRGVLGRAPA KIALARDALS DATA SEQUENCE PVFPYVTKGD GLYADGSFVQ HTWVAYSGTY GQVMLDGLGR LFTLLAGSEW DATA SEQUENCE EVTDPGRQLV LDSVEHAYAP LIHDGLVMDT VNGRAISRGY LKSDDLHVMR DATA SEQUENCE SDHFHGQQLI AAMAVLAGGA SNAERERWHA RIKGWIERDT VTPVLTAPQF DATA SEQUENCE PVADLTRLHA IADAPGEAAP EPVGHHLFAA MDRAVHRRPA FTAGLAMASD DATA SEQUENCE RIAHYECGNG ENPRGWHTGA GMLTWWANGT RADQYTDWFW PTVDWYRLPG DATA SEQUENCE TTVSTKRLAD RAGGEWGAPK PDVRWVGGAT DGEYAAVGQH LKGLGSTLEA DATA SEQUENCE RKSWFFLDDA VVCLGAGITC ADGVPVETVV DNRNLGEGGT QALVRGRHWA DATA SEQUENCE HLEGHGGWIV PGGALRTLRE DRTGAWSDIN TTSTTERRTR RWQTLWLDHG DATA SEQUENCE TDPAGADYVY TVMPGASRAA LARRAADRHW LTVLANDDRR QAVSVPSLGL DATA SEQUENCE TAANFWQAGT AGPLTTTAGA SVLVRRRGRT ATLRVSEPPR TGEALEIVWD DATA SEQUENCE HPVGAVLRAD ETVEILATGR RLHLRVTPGV VCTTHECEVT LS 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.704 177.584 0.200 0.000 1.274 24 A CA 0.000 52.178 52.037 0.235 0.000 0.836 24 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 25 D N 1.534 121.996 120.400 0.103 0.000 2.182 25 D HA -0.123 4.511 4.640 -0.010 0.000 0.201 25 D C -0.285 176.016 176.300 0.002 0.000 0.986 25 D CA 2.029 56.060 54.000 0.052 0.000 0.847 25 D CB -0.781 40.040 40.800 0.036 0.000 0.942 25 D HN 0.383 nan 8.370 nan 0.000 0.467 26 P HA -0.135 nan 4.420 nan 0.000 0.217 26 P C 1.341 178.518 177.300 -0.205 0.000 1.151 26 P CA 1.074 64.075 63.100 -0.165 0.000 0.828 26 P CB -0.481 31.063 31.700 -0.260 0.000 0.788 27 Y N 1.132 121.488 120.300 0.095 0.000 2.181 27 Y HA -0.151 4.393 4.550 -0.010 0.000 0.288 27 Y C 2.355 178.226 175.900 -0.048 0.000 1.146 27 Y CA 1.426 59.529 58.100 0.004 0.000 1.164 27 Y CB -1.661 36.785 38.460 -0.024 0.000 0.982 27 Y HN -0.040 nan 8.280 nan 0.000 0.515 28 D N -0.032 120.426 120.400 0.096 0.000 2.117 28 D HA -0.150 4.484 4.640 -0.010 0.000 0.197 28 D C 2.287 178.596 176.300 0.015 0.000 0.987 28 D CA 1.425 55.433 54.000 0.012 0.000 0.829 28 D CB -0.572 40.248 40.800 0.034 0.000 0.961 28 D HN 0.350 nan 8.370 nan 0.000 0.460 29 A N 0.874 123.710 122.820 0.027 0.000 1.902 29 A HA -0.122 4.192 4.320 -0.010 0.000 0.217 29 A C 2.405 180.021 177.584 0.054 0.000 1.181 29 A CA 0.897 52.955 52.037 0.034 0.000 0.623 29 A CB -0.814 18.200 19.000 0.025 0.000 0.818 29 A HN 0.194 nan 8.150 nan 0.000 0.443 30 L N -1.170 120.088 121.223 0.058 0.000 2.083 30 L HA -0.184 4.149 4.340 -0.010 0.000 0.209 30 L C 2.819 179.749 176.870 0.100 0.000 1.083 30 L CA 1.756 56.646 54.840 0.084 0.000 0.752 30 L CB -0.439 41.658 42.059 0.063 0.000 0.899 30 L HN 0.484 nan 8.230 nan 0.000 0.433 31 R N 0.234 120.761 120.500 0.046 0.000 2.075 31 R HA -0.142 4.192 4.340 -0.010 0.000 0.232 31 R C 2.481 178.850 176.300 0.114 0.000 1.126 31 R CA 1.267 57.393 56.100 0.043 0.000 0.963 31 R CB -0.048 30.182 30.300 -0.117 0.000 0.858 31 R HN 0.245 nan 8.270 nan 0.000 0.435 32 R N -0.116 120.429 120.500 0.075 0.000 2.081 32 R HA -0.143 4.191 4.340 -0.010 0.000 0.235 32 R C 2.509 178.872 176.300 0.105 0.000 1.131 32 R CA 1.689 57.838 56.100 0.082 0.000 0.960 32 R CB -0.326 30.006 30.300 0.054 0.000 0.856 32 R HN 0.244 nan 8.270 nan 0.000 0.436 33 R N 0.317 120.889 120.500 0.120 0.000 2.075 33 R HA -0.172 4.162 4.340 -0.010 0.000 0.232 33 R C 2.078 178.481 176.300 0.172 0.000 1.126 33 R CA 1.324 57.498 56.100 0.125 0.000 0.963 33 R CB -0.341 30.034 30.300 0.125 0.000 0.858 33 R HN 0.413 nan 8.270 nan 0.000 0.435 34 W N 1.357 122.671 121.300 0.023 0.000 2.342 34 W HA -0.210 4.444 4.660 -0.010 0.000 0.297 34 W C 1.382 177.927 176.519 0.043 0.000 1.213 34 W CA 1.152 58.510 57.345 0.021 0.000 1.251 34 W CB -0.083 29.378 29.460 0.002 0.000 1.136 34 W HN 0.182 nan 8.180 nan 0.000 0.526 35 L N 0.182 121.483 121.223 0.130 0.000 2.141 35 L HA -0.091 4.243 4.340 -0.010 0.000 0.209 35 L C 2.783 179.648 176.870 -0.008 0.000 1.094 35 L CA 1.348 56.225 54.840 0.062 0.000 0.763 35 L CB -1.427 40.712 42.059 0.134 0.000 0.908 35 L HN -0.014 nan 8.230 nan 0.000 0.437 36 G N 0.369 109.166 108.800 -0.005 0.000 2.402 36 G HA2 -0.182 3.772 3.960 -0.010 0.000 0.216 36 G HA3 -0.182 3.772 3.960 -0.010 0.000 0.216 36 G C 1.592 176.446 174.900 -0.078 0.000 1.162 36 G CA 0.530 45.621 45.100 -0.014 0.000 0.777 36 G HN 0.281 nan 8.290 nan 0.000 0.539 37 I N 0.666 121.135 120.570 -0.169 0.000 2.315 37 I HA -0.103 4.061 4.170 -0.010 0.000 0.248 37 I C 2.791 178.706 176.117 -0.337 0.000 1.117 37 I CA 1.287 62.425 61.300 -0.270 0.000 1.404 37 I CB -0.152 37.601 38.000 -0.411 0.000 1.071 37 I HN 0.074 nan 8.210 nan 0.000 0.419 38 T N 0.290 114.597 114.554 -0.411 0.000 3.009 38 T HA 0.140 4.484 4.350 -0.010 0.000 0.258 38 T C 1.691 176.372 174.700 -0.032 0.000 1.063 38 T CA 0.904 62.818 62.100 -0.310 0.000 1.139 38 T CB 0.172 68.795 68.868 -0.409 0.000 0.890 38 T HN 0.203 nan 8.240 nan 0.000 0.471 39 L N -0.314 120.910 121.223 0.001 0.000 2.781 39 L HA 0.423 4.757 4.340 -0.010 0.000 0.245 39 L C 1.050 177.952 176.870 0.054 0.000 1.118 39 L CA -0.205 54.678 54.840 0.071 0.000 0.918 39 L CB 0.369 42.494 42.059 0.109 0.000 1.246 39 L HN 0.411 nan 8.230 nan 0.000 0.526 40 G N 0.277 109.093 108.800 0.025 0.000 2.690 40 G HA2 -0.114 3.839 3.960 -0.010 0.000 0.686 40 G HA3 -0.114 3.839 3.960 -0.010 0.000 0.686 40 G C -0.527 174.486 174.900 0.189 0.000 1.277 40 G CA -0.394 44.736 45.100 0.050 0.000 0.799 40 G HN -0.064 nan 8.290 nan 0.000 0.613 41 T N -0.240 114.428 114.554 0.190 0.000 3.097 41 T HA 0.709 5.053 4.350 -0.010 0.000 0.332 41 T C 0.744 175.494 174.700 0.083 0.000 1.269 41 T CA 1.503 63.660 62.100 0.095 0.000 1.076 41 T CB 1.004 69.891 68.868 0.031 0.000 1.209 41 T HN 2.690 nan 8.240 nan 0.000 0.474 42 G N 3.133 111.907 108.800 -0.045 0.000 2.298 42 G HA2 -0.184 3.770 3.960 -0.010 0.000 0.287 42 G HA3 -0.184 3.770 3.960 -0.010 0.000 0.287 42 G C -0.390 174.480 174.900 -0.051 0.000 1.075 42 G CA 0.899 45.958 45.100 -0.067 0.000 0.960 42 G HN 1.170 nan 8.290 nan 0.000 0.502 43 Y N -2.098 118.062 120.300 -0.234 0.000 2.605 43 Y HA 0.781 5.324 4.550 -0.011 0.000 0.343 43 Y C -0.496 175.244 175.900 -0.267 0.000 1.036 43 Y CA -2.007 55.874 58.100 -0.366 0.000 1.065 43 Y CB 1.455 39.400 38.460 -0.858 0.000 1.288 43 Y HN 0.078 nan 8.280 nan 0.000 0.481 44 D N 2.429 122.748 120.400 -0.134 0.000 2.373 44 D HA 0.382 5.016 4.640 -0.010 0.000 0.227 44 D C -2.103 174.239 176.300 0.070 0.000 1.091 44 D CA -2.877 51.064 54.000 -0.098 0.000 0.840 44 D CB 1.785 42.584 40.800 -0.001 0.000 1.060 44 D HN 0.332 nan 8.370 nan 0.000 0.502 45 P HA -0.025 nan 4.420 nan 0.000 0.225 45 P C 0.812 178.200 177.300 0.147 0.000 1.148 45 P CA 0.703 63.903 63.100 0.165 0.000 0.779 45 P CB 0.235 31.961 31.700 0.043 0.000 0.780 46 A N -0.489 122.382 122.820 0.084 0.000 2.067 46 A HA 0.288 4.602 4.320 -0.010 0.000 0.217 46 A C 1.393 179.034 177.584 0.094 0.000 1.156 46 A CA 0.620 52.699 52.037 0.069 0.000 0.683 46 A CB -1.018 18.000 19.000 0.031 0.000 0.808 46 A HN 0.254 nan 8.150 nan 0.000 0.455 47 A N 0.500 123.413 122.820 0.154 0.000 2.351 47 A HA 0.480 4.794 4.320 -0.010 0.000 0.257 47 A C 0.003 177.640 177.584 0.088 0.000 1.087 47 A CA -0.416 51.705 52.037 0.139 0.000 0.798 47 A CB 0.202 19.321 19.000 0.198 0.000 1.033 47 A HN 0.330 nan 8.150 nan 0.000 0.488 48 E N 1.668 121.850 120.200 -0.030 0.000 2.343 48 E HA 0.248 4.592 4.350 -0.010 0.000 0.269 48 E C -1.638 174.735 176.600 -0.378 0.000 1.047 48 E CA -1.530 54.785 56.400 -0.141 0.000 0.874 48 E CB 0.718 30.368 29.700 -0.083 0.000 1.033 48 E HN 0.490 nan 8.360 nan 0.000 0.409 49 P HA 0.033 nan 4.420 nan 0.000 0.261 49 P C 0.555 177.650 177.300 -0.340 0.000 1.268 49 P CA 0.310 63.189 63.100 -0.369 0.000 0.833 49 P CB 0.146 31.684 31.700 -0.270 0.000 1.231 50 Y N 1.779 122.021 120.300 -0.098 0.000 2.102 50 Y HA -0.220 4.323 4.550 -0.011 0.000 0.280 50 Y C 2.831 178.725 175.900 -0.010 0.000 1.178 50 Y CA 1.409 59.464 58.100 -0.076 0.000 1.146 50 Y CB -2.020 36.418 38.460 -0.036 0.000 0.968 50 Y HN 0.001 nan 8.280 nan 0.000 0.504 51 A N -0.358 122.539 122.820 0.128 0.000 1.883 51 A HA -0.203 4.111 4.320 -0.010 0.000 0.217 51 A C 2.464 180.073 177.584 0.042 0.000 1.186 51 A CA 2.232 54.321 52.037 0.087 0.000 0.624 51 A CB -1.126 17.911 19.000 0.062 0.000 0.822 51 A HN 0.427 nan 8.150 nan 0.000 0.444 52 S N -1.055 114.652 115.700 0.012 0.000 2.406 52 S HA -0.089 4.374 4.470 -0.010 0.000 0.228 52 S C 2.101 176.706 174.600 0.008 0.000 1.020 52 S CA 1.352 59.555 58.200 0.004 0.000 0.965 52 S CB -0.260 62.934 63.200 -0.009 0.000 0.798 52 S HN 0.535 nan 8.310 nan 0.000 0.488 53 R N 1.603 122.109 120.500 0.011 0.000 2.075 53 R HA 0.136 4.470 4.340 -0.010 0.000 0.232 53 R C 1.954 178.268 176.300 0.023 0.000 1.126 53 R CA 1.205 57.317 56.100 0.019 0.000 0.963 53 R CB -0.842 29.473 30.300 0.025 0.000 0.858 53 R HN 0.387 nan 8.270 nan 0.000 0.435 54 L N -0.506 120.740 121.223 0.039 0.000 2.056 54 L HA -0.056 4.278 4.340 -0.010 0.000 0.207 54 L C 2.431 179.306 176.870 0.010 0.000 1.078 54 L CA 1.356 56.215 54.840 0.031 0.000 0.749 54 L CB -0.614 41.484 42.059 0.064 0.000 0.901 54 L HN 0.240 nan 8.230 nan 0.000 0.433 55 A N -0.088 122.740 122.820 0.012 0.000 1.902 55 A HA -0.219 4.094 4.320 -0.010 0.000 0.217 55 A C 2.183 179.761 177.584 -0.011 0.000 1.181 55 A CA 1.669 53.706 52.037 0.000 0.000 0.623 55 A CB -0.405 18.597 19.000 0.004 0.000 0.818 55 A HN 0.411 nan 8.150 nan 0.000 0.443 56 E N -1.045 119.150 120.200 -0.009 0.000 2.150 56 E HA -0.091 4.253 4.350 -0.010 0.000 0.193 56 E C 1.982 178.562 176.600 -0.034 0.000 0.985 56 E CA 1.422 57.812 56.400 -0.017 0.000 0.814 56 E CB -0.100 29.598 29.700 -0.004 0.000 0.752 56 E HN 0.597 nan 8.360 nan 0.000 0.466 57 T N -0.360 114.176 114.554 -0.030 0.000 2.770 57 T HA -0.095 4.249 4.350 -0.010 0.000 0.263 57 T C 1.848 176.508 174.700 -0.065 0.000 1.039 57 T CA 1.063 63.134 62.100 -0.048 0.000 1.142 57 T CB -0.591 68.250 68.868 -0.045 0.000 0.868 57 T HN 0.373 nan 8.240 nan 0.000 0.435 58 G N 1.654 110.426 108.800 -0.048 0.000 2.529 58 G HA2 -0.294 3.660 3.960 -0.010 0.000 0.219 58 G HA3 -0.294 3.660 3.960 -0.010 0.000 0.219 58 G C 1.425 176.290 174.900 -0.058 0.000 1.177 58 G CA 1.173 46.247 45.100 -0.043 0.000 0.773 58 G HN 0.543 nan 8.290 nan 0.000 0.573 59 E N 0.027 120.191 120.200 -0.060 0.000 2.051 59 E HA -0.103 4.241 4.350 -0.010 0.000 0.192 59 E C 2.784 179.299 176.600 -0.141 0.000 0.991 59 E CA 0.698 57.054 56.400 -0.075 0.000 0.799 59 E CB -0.149 29.519 29.700 -0.054 0.000 0.748 59 E HN 0.351 nan 8.360 nan 0.000 0.449 60 R N 0.469 120.854 120.500 -0.191 0.000 2.081 60 R HA -0.115 4.219 4.340 -0.010 0.000 0.235 60 R C 2.430 178.346 176.300 -0.641 0.000 1.131 60 R CA 1.083 56.932 56.100 -0.418 0.000 0.960 60 R CB -0.367 29.740 30.300 -0.323 0.000 0.856 60 R HN 0.126 nan 8.270 nan 0.000 0.436 61 A N 1.355 124.007 122.820 -0.280 0.000 1.883 61 A HA -0.202 4.111 4.320 -0.010 0.000 0.217 61 A C 2.135 179.691 177.584 -0.048 0.000 1.186 61 A CA 1.354 53.330 52.037 -0.102 0.000 0.624 61 A CB -0.457 18.530 19.000 -0.023 0.000 0.822 61 A HN 0.229 nan 8.150 nan 0.000 0.444 62 R N -0.896 119.568 120.500 -0.059 0.000 2.091 62 R HA -0.179 4.154 4.340 -0.010 0.000 0.238 62 R C 2.335 178.637 176.300 0.003 0.000 1.136 62 R CA 1.723 57.816 56.100 -0.012 0.000 0.959 62 R CB -0.260 30.028 30.300 -0.019 0.000 0.856 62 R HN 0.804 nan 8.270 nan 0.000 0.437 63 E N -0.354 119.807 120.200 -0.064 0.000 2.158 63 E HA -0.153 4.191 4.350 -0.010 0.000 0.191 63 E C 1.543 178.226 176.600 0.138 0.000 0.982 63 E CA 0.869 57.267 56.400 -0.002 0.000 0.823 63 E CB 0.108 29.772 29.700 -0.059 0.000 0.766 63 E HN 0.563 nan 8.360 nan 0.000 0.468 64 H N -0.423 118.714 119.070 0.112 0.000 2.357 64 H HA -0.055 4.494 4.556 -0.010 0.000 0.301 64 H C 2.347 177.953 175.328 0.463 0.000 1.082 64 H CA 1.149 57.337 56.048 0.233 0.000 1.342 64 H CB 0.074 29.852 29.762 0.026 0.000 1.389 64 H HN 0.009 nan 8.280 nan 0.000 0.511 65 R N 0.938 121.664 120.500 0.377 0.000 2.083 65 R HA -0.163 4.171 4.340 -0.010 0.000 0.237 65 R C 2.474 178.879 176.300 0.175 0.000 1.137 65 R CA 1.355 57.598 56.100 0.239 0.000 0.951 65 R CB -0.290 30.093 30.300 0.139 0.000 0.851 65 R HN 0.309 nan 8.270 nan 0.000 0.434 66 A N -0.525 122.390 122.820 0.158 0.000 2.019 66 A HA -0.138 4.176 4.320 -0.010 0.000 0.219 66 A C 1.968 179.627 177.584 0.124 0.000 1.164 66 A CA 1.944 54.046 52.037 0.108 0.000 0.644 66 A CB -0.529 18.522 19.000 0.085 0.000 0.805 66 A HN 0.637 nan 8.150 nan 0.000 0.449 67 T N -3.893 110.801 114.554 0.234 0.000 3.040 67 T HA 0.365 4.709 4.350 -0.010 0.000 0.250 67 T C 0.690 175.445 174.700 0.092 0.000 1.058 67 T CA 0.043 62.292 62.100 0.248 0.000 0.988 67 T CB -0.403 68.708 68.868 0.405 0.000 0.993 67 T HN 0.312 nan 8.240 nan 0.000 0.519 68 M N 2.510 122.042 119.600 -0.113 0.000 2.251 68 M HA 0.372 4.846 4.480 -0.010 0.000 0.343 68 M C -0.501 175.502 176.300 -0.494 0.000 1.245 68 M CA 0.356 55.138 55.300 -0.863 0.000 1.061 68 M CB 0.166 32.339 32.600 -0.711 0.000 1.723 68 M HN 0.337 nan 8.290 nan 0.000 0.449 69 A N 7.204 129.707 122.820 -0.529 0.000 2.876 69 A HA 0.564 4.878 4.320 -0.010 0.000 0.309 69 A C -2.793 174.585 177.584 -0.345 0.000 1.168 69 A CA -1.217 50.632 52.037 -0.313 0.000 0.762 69 A CB 0.242 19.142 19.000 -0.167 0.000 1.262 69 A HN 0.538 nan 8.150 nan 0.000 0.435 70 P HA 0.300 nan 4.420 nan 0.000 0.267 70 P C 0.278 177.329 177.300 -0.415 0.000 1.205 70 P CA 0.752 63.424 63.100 -0.714 0.000 0.765 70 P CB 1.050 32.180 31.700 -0.950 0.000 0.828 71 T N 0.149 114.586 114.554 -0.194 0.000 2.841 71 T HA 0.471 4.814 4.350 -0.010 0.000 0.296 71 T C -2.450 172.380 174.700 0.216 0.000 1.166 71 T CA -2.234 59.866 62.100 0.000 0.000 1.007 71 T CB 1.435 70.274 68.868 -0.049 0.000 1.253 71 T HN -0.063 nan 8.240 nan 0.000 0.511 72 P HA 0.040 nan 4.420 nan 0.000 0.226 72 P C 1.067 178.499 177.300 0.220 0.000 1.146 72 P CA 1.162 64.392 63.100 0.217 0.000 0.773 72 P CB -0.113 31.668 31.700 0.135 0.000 0.772 73 T N -5.791 108.776 114.554 0.022 0.000 3.170 73 T HA 0.377 4.721 4.350 -0.010 0.000 0.288 73 T C 0.203 174.368 174.700 -0.891 0.000 0.992 73 T CA -0.112 61.885 62.100 -0.171 0.000 0.909 73 T CB -0.321 68.513 68.868 -0.056 0.000 1.133 73 T HN 0.145 nan 8.240 nan 0.000 0.530 74 S N 0.087 115.119 115.700 -1.114 0.000 2.611 74 S HA 0.598 5.061 4.470 -0.010 0.000 0.270 74 S C -0.510 173.852 174.600 -0.397 0.000 1.131 74 S CA -0.786 56.791 58.200 -1.037 0.000 0.826 74 S CB 1.348 64.335 63.200 -0.354 0.000 1.095 74 S HN 0.163 nan 8.310 nan 0.000 0.461 75 L N 0.089 121.307 121.223 -0.008 0.000 2.749 75 L HA 0.633 4.967 4.340 -0.010 0.000 0.242 75 L C -0.759 176.005 176.870 -0.177 0.000 1.103 75 L CA 0.135 54.993 54.840 0.030 0.000 0.906 75 L CB 0.205 42.399 42.059 0.225 0.000 1.228 75 L HN 0.733 nan 8.230 nan 0.000 0.517 76 W N 1.252 122.620 121.300 0.114 0.000 2.915 76 W HA 0.414 5.068 4.660 -0.010 0.000 0.337 76 W C -2.273 174.330 176.519 0.141 0.000 1.102 76 W CA -1.615 55.822 57.345 0.152 0.000 1.224 76 W CB 1.577 31.190 29.460 0.256 0.000 1.416 76 W HN -0.215 nan 8.180 nan 0.000 0.503 77 P HA 0.099 nan 4.420 nan 0.000 0.269 77 P C 0.745 178.084 177.300 0.064 0.000 1.209 77 P CA 1.129 64.302 63.100 0.123 0.000 0.776 77 P CB 0.696 32.450 31.700 0.090 0.000 0.876 78 G N 1.170 109.912 108.800 -0.098 0.000 2.184 78 G HA2 -0.218 3.736 3.960 -0.010 0.000 0.264 78 G HA3 -0.218 3.736 3.960 -0.010 0.000 0.264 78 G C 0.262 174.800 174.900 -0.604 0.000 0.975 78 G CA -0.047 44.859 45.100 -0.323 0.000 0.642 78 G HN 0.757 nan 8.290 nan 0.000 0.536 79 H N 0.976 120.005 119.070 -0.070 0.000 2.317 79 H HA 0.273 4.823 4.556 -0.010 0.000 0.231 79 H C -2.372 172.931 175.328 -0.042 0.000 1.442 79 H CA -0.978 55.017 56.048 -0.089 0.000 1.336 79 H CB 1.128 30.828 29.762 -0.104 0.000 1.533 79 H HN 0.354 nan 8.280 nan 0.000 0.522 80 P HA -0.047 nan 4.420 nan 0.000 0.270 80 P C 0.547 177.916 177.300 0.114 0.000 1.223 80 P CA -0.221 62.840 63.100 -0.064 0.000 0.785 80 P CB 0.932 32.619 31.700 -0.021 0.000 0.923 81 F N -0.482 119.567 119.950 0.165 0.000 2.780 81 F HA 0.107 4.628 4.527 -0.010 0.000 0.299 81 F C 1.001 176.987 175.800 0.310 0.000 1.146 81 F CA 0.504 58.622 58.000 0.198 0.000 1.428 81 F CB -0.435 38.704 39.000 0.232 0.000 1.115 81 F HN 0.195 nan 8.300 nan 0.000 0.583 82 D N 0.873 121.513 120.400 0.400 0.000 2.575 82 D HA 0.232 4.866 4.640 -0.010 0.000 0.250 82 D C -2.703 173.728 176.300 0.220 0.000 1.279 82 D CA -2.201 52.033 54.000 0.391 0.000 0.925 82 D CB 1.986 42.914 40.800 0.213 0.000 1.261 82 D HN -0.167 nan 8.370 nan 0.000 0.567 83 P HA 0.203 nan 4.420 nan 0.000 0.269 83 P C -2.001 175.445 177.300 0.243 0.000 1.215 83 P CA -1.047 62.208 63.100 0.260 0.000 0.780 83 P CB 0.390 32.188 31.700 0.164 0.000 0.898 84 P HA -0.126 nan 4.420 nan 0.000 0.228 84 P C 1.150 178.362 177.300 -0.148 0.000 1.151 84 P CA 0.996 64.003 63.100 -0.154 0.000 0.770 84 P CB -0.324 31.053 31.700 -0.538 0.000 0.786 85 A N 0.601 123.422 122.820 0.002 0.000 2.076 85 A HA -0.068 4.246 4.320 -0.010 0.000 0.220 85 A C 2.478 180.137 177.584 0.126 0.000 1.160 85 A CA 1.775 53.842 52.037 0.051 0.000 0.653 85 A CB -1.749 17.296 19.000 0.075 0.000 0.801 85 A HN 0.323 nan 8.150 nan 0.000 0.455 86 G N -0.095 108.805 108.800 0.168 0.000 2.448 86 G HA2 -0.058 3.896 3.960 -0.010 0.000 0.218 86 G HA3 -0.058 3.896 3.960 -0.010 0.000 0.218 86 G C 1.419 176.542 174.900 0.372 0.000 1.135 86 G CA 0.945 46.222 45.100 0.296 0.000 0.784 86 G HN 0.520 nan 8.290 nan 0.000 0.543 87 I N 0.889 121.572 120.570 0.189 0.000 2.163 87 I HA -0.132 4.032 4.170 -0.010 0.000 0.240 87 I C 2.918 179.019 176.117 -0.027 0.000 1.081 87 I CA 1.451 62.733 61.300 -0.031 0.000 1.353 87 I CB -0.667 37.112 38.000 -0.368 0.000 1.054 87 I HN 0.018 nan 8.210 nan 0.000 0.407 88 T N 1.054 115.591 114.554 -0.029 0.000 2.788 88 T HA -0.187 4.156 4.350 -0.010 0.000 0.268 88 T C 1.710 176.444 174.700 0.057 0.000 1.044 88 T CA 1.324 63.435 62.100 0.018 0.000 1.139 88 T CB -0.482 68.383 68.868 -0.005 0.000 0.867 88 T HN 0.237 nan 8.240 nan 0.000 0.454 89 F N 2.397 122.328 119.950 -0.032 0.000 2.091 89 F HA -0.116 4.405 4.527 -0.010 0.000 0.299 89 F C 2.460 178.172 175.800 -0.146 0.000 1.103 89 F CA 1.159 59.093 58.000 -0.110 0.000 1.228 89 F CB -0.685 38.228 39.000 -0.146 0.000 0.984 89 F HN 0.153 nan 8.300 nan 0.000 0.477 90 A N -0.819 122.038 122.820 0.062 0.000 1.902 90 A HA -0.202 4.111 4.320 -0.010 0.000 0.217 90 A C 2.044 179.592 177.584 -0.059 0.000 1.181 90 A CA 1.655 53.752 52.037 0.100 0.000 0.623 90 A CB -1.533 17.672 19.000 0.341 0.000 0.818 90 A HN 0.512 nan 8.150 nan 0.000 0.443 91 Y N 0.353 120.636 120.300 -0.027 0.000 2.224 91 Y HA -0.095 4.449 4.550 -0.010 0.000 0.289 91 Y C 2.761 178.622 175.900 -0.066 0.000 1.146 91 Y CA 0.824 58.895 58.100 -0.049 0.000 1.182 91 Y CB -1.001 37.375 38.460 -0.139 0.000 0.983 91 Y HN 0.321 nan 8.280 nan 0.000 0.524 92 G N -0.263 108.506 108.800 -0.052 0.000 2.446 92 G HA2 -0.256 3.697 3.960 -0.010 0.000 0.217 92 G HA3 -0.256 3.697 3.960 -0.010 0.000 0.217 92 G C 1.803 176.584 174.900 -0.198 0.000 1.168 92 G CA 0.901 45.934 45.100 -0.111 0.000 0.771 92 G HN 0.299 nan 8.290 nan 0.000 0.551 93 R N -0.269 119.891 120.500 -0.566 0.000 2.092 93 R HA 0.106 4.440 4.340 -0.010 0.000 0.231 93 R C 2.637 178.817 176.300 -0.199 0.000 1.119 93 R CA 0.733 56.395 56.100 -0.729 0.000 0.970 93 R CB -0.422 28.862 30.300 -1.693 0.000 0.864 93 R HN 0.336 nan 8.270 nan 0.000 0.440 94 L N -0.389 120.852 121.223 0.030 0.000 2.083 94 L HA -0.195 4.139 4.340 -0.010 0.000 0.209 94 L C 2.440 179.437 176.870 0.212 0.000 1.083 94 L CA 1.103 56.064 54.840 0.202 0.000 0.752 94 L CB -0.524 41.689 42.059 0.257 0.000 0.899 94 L HN 0.459 nan 8.230 nan 0.000 0.433 95 W N 1.148 122.476 121.300 0.047 0.000 2.355 95 W HA -0.227 4.427 4.660 -0.011 0.000 0.309 95 W C 2.197 178.748 176.519 0.054 0.000 1.206 95 W CA 1.915 59.292 57.345 0.054 0.000 1.284 95 W CB -0.211 29.268 29.460 0.031 0.000 1.145 95 W HN 0.112 nan 8.180 nan 0.000 0.502 96 T N 2.000 116.489 114.554 -0.107 0.000 2.720 96 T HA -0.282 4.062 4.350 -0.010 0.000 0.268 96 T C 1.862 176.488 174.700 -0.123 0.000 1.037 96 T CA 2.403 64.404 62.100 -0.164 0.000 1.144 96 T CB -0.539 68.352 68.868 0.038 0.000 0.864 96 T HN 0.162 nan 8.240 nan 0.000 0.444 97 M N 0.820 120.421 119.600 0.002 0.000 2.080 97 M HA -0.129 4.345 4.480 -0.010 0.000 0.260 97 M C 2.626 178.922 176.300 -0.007 0.000 1.068 97 M CA 1.543 56.869 55.300 0.043 0.000 1.109 97 M CB -0.886 31.789 32.600 0.126 0.000 1.342 97 M HN 0.189 nan 8.290 nan 0.000 0.405 98 T N 0.152 114.666 114.554 -0.065 0.000 2.684 98 T HA -0.163 4.181 4.350 -0.010 0.000 0.267 98 T C 1.591 176.168 174.700 -0.204 0.000 1.036 98 T CA 1.586 63.641 62.100 -0.076 0.000 1.148 98 T CB -0.362 68.499 68.868 -0.012 0.000 0.863 98 T HN 0.471 nan 8.240 nan 0.000 0.436 99 E N 1.118 120.998 120.200 -0.533 0.000 2.070 99 E HA -0.161 4.182 4.350 -0.010 0.000 0.197 99 E C 2.573 179.062 176.600 -0.184 0.000 1.004 99 E CA 1.138 57.271 56.400 -0.445 0.000 0.805 99 E CB -0.285 29.093 29.700 -0.537 0.000 0.744 99 E HN 0.498 nan 8.360 nan 0.000 0.451 100 A N 0.702 123.449 122.820 -0.123 0.000 1.908 100 A HA -0.228 4.086 4.320 -0.010 0.000 0.218 100 A C 2.040 179.617 177.584 -0.013 0.000 1.181 100 A CA 1.520 53.527 52.037 -0.049 0.000 0.627 100 A CB -0.733 18.256 19.000 -0.018 0.000 0.818 100 A HN 0.413 nan 8.150 nan 0.000 0.445 101 Y N 0.627 120.876 120.300 -0.085 0.000 2.163 101 Y HA -0.118 4.426 4.550 -0.010 0.000 0.288 101 Y C 2.348 178.220 175.900 -0.047 0.000 1.136 101 Y CA 2.162 60.225 58.100 -0.062 0.000 1.147 101 Y CB -0.034 38.389 38.460 -0.061 0.000 0.987 101 Y HN 0.210 nan 8.280 nan 0.000 0.509 102 V N -1.887 117.985 119.914 -0.070 0.000 3.354 102 V HA 0.142 4.256 4.120 -0.010 0.000 0.258 102 V C 0.280 176.317 176.094 -0.094 0.000 1.159 102 V CA 0.155 62.395 62.300 -0.101 0.000 1.125 102 V CB -0.267 31.596 31.823 0.067 0.000 0.774 102 V HN 0.183 nan 8.190 nan 0.000 0.464 103 Q N 1.723 121.474 119.800 -0.083 0.000 2.241 103 Q HA 0.381 4.715 4.340 -0.010 0.000 0.254 103 Q C -0.291 175.678 176.000 -0.052 0.000 0.917 103 Q CA -0.365 55.414 55.803 -0.038 0.000 0.919 103 Q CB 1.623 30.357 28.738 -0.007 0.000 1.237 103 Q HN 0.524 nan 8.270 nan 0.000 0.434 104 E N 0.179 120.354 120.200 -0.042 0.000 2.458 104 E HA 0.051 4.395 4.350 -0.010 0.000 0.264 104 E C 0.921 177.518 176.600 -0.005 0.000 1.097 104 E CA 0.951 57.326 56.400 -0.041 0.000 0.973 104 E CB 0.298 29.964 29.700 -0.057 0.000 0.963 104 E HN 0.919 nan 8.360 nan 0.000 0.451 105 G N 1.299 110.093 108.800 -0.009 0.000 2.179 105 G HA2 -0.341 3.613 3.960 -0.010 0.000 0.260 105 G HA3 -0.341 3.613 3.960 -0.010 0.000 0.260 105 G C 0.921 175.825 174.900 0.006 0.000 0.977 105 G CA 0.996 46.103 45.100 0.012 0.000 0.641 105 G HN 0.583 nan 8.290 nan 0.000 0.533 106 T N -2.499 112.048 114.554 -0.012 0.000 3.057 106 T HA 0.434 4.778 4.350 -0.010 0.000 0.254 106 T C 2.420 177.109 174.700 -0.019 0.000 1.094 106 T CA 1.652 63.742 62.100 -0.017 0.000 1.088 106 T CB 0.365 69.214 68.868 -0.031 0.000 0.934 106 T HN 2.174 nan 8.240 nan 0.000 0.497 107 G N 0.852 109.640 108.800 -0.021 0.000 2.176 107 G HA2 -0.041 3.913 3.960 -0.010 0.000 0.253 107 G HA3 -0.041 3.913 3.960 -0.010 0.000 0.253 107 G C 0.598 175.488 174.900 -0.017 0.000 0.979 107 G CA -0.096 44.994 45.100 -0.017 0.000 0.641 107 G HN 1.469 nan 8.290 nan 0.000 0.530 108 A N -0.694 122.111 122.820 -0.025 0.000 2.716 108 A HA 0.589 4.903 4.320 -0.010 0.000 0.252 108 A C 0.748 178.300 177.584 -0.052 0.000 1.144 108 A CA 1.181 53.210 52.037 -0.012 0.000 0.995 108 A CB 0.167 19.175 19.000 0.013 0.000 1.252 108 A HN 0.902 nan 8.150 nan 0.000 0.593 109 T N 1.120 115.611 114.554 -0.105 0.000 2.822 109 T HA 0.383 4.727 4.350 -0.010 0.000 0.288 109 T C 1.377 175.894 174.700 -0.305 0.000 0.991 109 T CA 1.318 63.287 62.100 -0.218 0.000 1.176 109 T CB 0.278 69.050 68.868 -0.160 0.000 0.951 109 T HN 1.647 nan 8.240 nan 0.000 0.526 110 G N 3.037 111.417 108.800 -0.700 0.000 2.198 110 G HA2 -0.242 3.712 3.960 -0.010 0.000 0.260 110 G HA3 -0.242 3.712 3.960 -0.010 0.000 0.260 110 G C -0.112 174.753 174.900 -0.058 0.000 1.025 110 G CA 0.035 44.781 45.100 -0.590 0.000 0.769 110 G HN 0.897 nan 8.290 nan 0.000 0.507 111 D N 0.069 120.521 120.400 0.085 0.000 2.325 111 D HA 0.409 5.043 4.640 -0.010 0.000 0.251 111 D C -0.417 176.025 176.300 0.236 0.000 1.196 111 D CA -2.258 51.832 54.000 0.150 0.000 0.866 111 D CB 1.181 42.043 40.800 0.103 0.000 1.101 111 D HN 0.138 nan 8.370 nan 0.000 0.476 112 P HA -0.038 nan 4.420 nan 0.000 0.220 112 P C 0.840 178.146 177.300 0.011 0.000 1.148 112 P CA 0.937 64.076 63.100 0.065 0.000 0.803 112 P CB 0.236 31.963 31.700 0.046 0.000 0.782 113 A N -0.610 122.227 122.820 0.028 0.000 1.968 113 A HA -0.121 4.193 4.320 -0.010 0.000 0.217 113 A C 2.052 179.638 177.584 0.004 0.000 1.169 113 A CA 1.071 53.115 52.037 0.011 0.000 0.638 113 A CB -1.508 17.503 19.000 0.019 0.000 0.812 113 A HN 0.141 nan 8.150 nan 0.000 0.446 114 L N -0.570 120.672 121.223 0.031 0.000 2.017 114 L HA -0.096 4.238 4.340 -0.010 0.000 0.208 114 L C 2.210 179.030 176.870 -0.083 0.000 1.073 114 L CA 2.001 56.859 54.840 0.030 0.000 0.745 114 L CB -0.805 41.328 42.059 0.123 0.000 0.894 114 L HN 0.325 nan 8.230 nan 0.000 0.432 115 L N 0.195 121.280 121.223 -0.231 0.000 2.013 115 L HA -0.203 4.131 4.340 -0.010 0.000 0.212 115 L C 2.524 179.257 176.870 -0.228 0.000 1.073 115 L CA 2.296 56.848 54.840 -0.480 0.000 0.753 115 L CB -1.240 40.389 42.059 -0.718 0.000 0.890 115 L HN 0.339 nan 8.230 nan 0.000 0.432 116 A N -1.092 121.652 122.820 -0.127 0.000 1.902 116 A HA -0.227 4.087 4.320 -0.010 0.000 0.217 116 A C 2.037 179.592 177.584 -0.049 0.000 1.181 116 A CA 1.944 53.939 52.037 -0.069 0.000 0.623 116 A CB -0.808 18.169 19.000 -0.039 0.000 0.818 116 A HN 0.569 nan 8.150 nan 0.000 0.443 117 D N -0.094 120.283 120.400 -0.039 0.000 2.178 117 D HA -0.069 4.564 4.640 -0.010 0.000 0.202 117 D C 1.908 178.205 176.300 -0.005 0.000 0.974 117 D CA 0.995 54.982 54.000 -0.021 0.000 0.841 117 D CB -0.279 40.523 40.800 0.003 0.000 0.953 117 D HN 0.548 nan 8.370 nan 0.000 0.478 118 I N 0.414 120.980 120.570 -0.007 0.000 2.163 118 I HA -0.271 3.893 4.170 -0.010 0.000 0.243 118 I C 2.167 178.300 176.117 0.027 0.000 1.085 118 I CA 0.684 61.999 61.300 0.025 0.000 1.347 118 I CB -0.173 37.817 38.000 -0.017 0.000 1.044 118 I HN -0.023 nan 8.210 nan 0.000 0.408 119 L N 0.501 121.718 121.223 -0.009 0.000 2.046 119 L HA -0.177 4.157 4.340 -0.010 0.000 0.208 119 L C 2.617 179.502 176.870 0.026 0.000 1.077 119 L CA 1.665 56.512 54.840 0.012 0.000 0.747 119 L CB -0.925 41.126 42.059 -0.013 0.000 0.896 119 L HN 0.149 nan 8.230 nan 0.000 0.432 120 R N -0.585 119.918 120.500 0.006 0.000 2.083 120 R HA -0.162 4.172 4.340 -0.010 0.000 0.237 120 R C 2.217 178.535 176.300 0.029 0.000 1.137 120 R CA 1.621 57.725 56.100 0.006 0.000 0.951 120 R CB -0.682 29.600 30.300 -0.031 0.000 0.851 120 R HN 0.424 nan 8.270 nan 0.000 0.434 121 G N 0.501 109.308 108.800 0.012 0.000 2.402 121 G HA2 -0.199 3.755 3.960 -0.010 0.000 0.216 121 G HA3 -0.199 3.755 3.960 -0.010 0.000 0.216 121 G C 1.439 176.380 174.900 0.069 0.000 1.162 121 G CA 0.596 45.707 45.100 0.017 0.000 0.777 121 G HN 0.231 nan 8.290 nan 0.000 0.539 122 L N 0.546 121.822 121.223 0.088 0.000 2.017 122 L HA -0.081 4.253 4.340 -0.010 0.000 0.208 122 L C 2.561 179.504 176.870 0.121 0.000 1.073 122 L CA 1.346 56.263 54.840 0.127 0.000 0.745 122 L CB -0.380 41.773 42.059 0.157 0.000 0.894 122 L HN 0.099 nan 8.230 nan 0.000 0.432 123 D N -1.316 119.146 120.400 0.103 0.000 2.144 123 D HA -0.220 4.414 4.640 -0.010 0.000 0.199 123 D C 2.007 178.373 176.300 0.110 0.000 0.984 123 D CA 1.343 55.401 54.000 0.096 0.000 0.834 123 D CB -0.217 40.628 40.800 0.074 0.000 0.955 123 D HN 0.389 nan 8.370 nan 0.000 0.465 124 H N 0.506 119.600 119.070 0.039 0.000 2.353 124 H HA 0.019 4.569 4.556 -0.010 0.000 0.300 124 H C 2.141 177.519 175.328 0.083 0.000 1.090 124 H CA 1.158 57.241 56.048 0.058 0.000 1.327 124 H CB -0.316 29.468 29.762 0.037 0.000 1.383 124 H HN 0.043 nan 8.280 nan 0.000 0.508 125 L N -0.956 120.254 121.223 -0.021 0.000 2.056 125 L HA -0.150 4.184 4.340 -0.010 0.000 0.207 125 L C 2.757 179.643 176.870 0.026 0.000 1.078 125 L CA 1.365 56.124 54.840 -0.134 0.000 0.749 125 L CB -0.625 41.273 42.059 -0.269 0.000 0.901 125 L HN 0.288 nan 8.230 nan 0.000 0.433 126 S N -0.292 115.483 115.700 0.124 0.000 2.382 126 S HA -0.172 4.292 4.470 -0.010 0.000 0.228 126 S C 2.100 176.788 174.600 0.146 0.000 1.027 126 S CA 1.267 59.587 58.200 0.200 0.000 0.991 126 S CB -0.051 63.249 63.200 0.167 0.000 0.823 126 S HN 0.436 nan 8.310 nan 0.000 0.469 127 A N 0.607 123.452 122.820 0.040 0.000 1.873 127 A HA -0.040 4.274 4.320 -0.010 0.000 0.215 127 A C 2.444 180.028 177.584 0.001 0.000 1.186 127 A CA 2.200 54.222 52.037 -0.024 0.000 0.616 127 A CB -1.289 17.702 19.000 -0.016 0.000 0.823 127 A HN 0.737 nan 8.150 nan 0.000 0.442 128 T N -4.694 109.851 114.554 -0.015 0.000 3.010 128 T HA 0.183 4.527 4.350 -0.010 0.000 0.252 128 T C 1.433 176.259 174.700 0.211 0.000 1.047 128 T CA 1.327 63.464 62.100 0.062 0.000 1.140 128 T CB 0.307 69.148 68.868 -0.045 0.000 0.885 128 T HN 0.356 nan 8.240 nan 0.000 0.464 129 V N -1.623 118.346 119.914 0.091 0.000 3.177 129 V HA 0.416 4.530 4.120 -0.010 0.000 0.220 129 V C -0.538 175.621 176.094 0.108 0.000 1.395 129 V CA -0.538 61.784 62.300 0.037 0.000 1.317 129 V CB 0.376 31.968 31.823 -0.385 0.000 1.148 129 V HN 0.465 nan 8.190 nan 0.000 0.499 130 Y N 4.430 124.768 120.300 0.063 0.000 2.724 130 Y HA 0.557 5.101 4.550 -0.010 0.000 0.332 130 Y C -0.007 176.129 175.900 0.393 0.000 1.276 130 Y CA -0.242 58.008 58.100 0.251 0.000 1.597 130 Y CB -0.707 37.883 38.460 0.217 0.000 1.584 130 Y HN 0.761 nan 8.280 nan 0.000 0.478 131 H N 1.078 120.295 119.070 0.245 0.000 2.948 131 H HA 0.434 4.983 4.556 -0.010 0.000 0.315 131 H C -2.918 172.258 175.328 -0.254 0.000 1.360 131 H CA -2.665 53.392 56.048 0.016 0.000 1.125 131 H CB 0.958 30.729 29.762 0.015 0.000 1.844 131 H HN -0.059 nan 8.280 nan 0.000 0.529 132 P HA 0.162 nan 4.420 nan 0.000 0.245 132 P C 0.679 177.553 177.300 -0.710 0.000 1.212 132 P CA 1.315 63.824 63.100 -0.985 0.000 0.774 132 P CB 0.092 31.414 31.700 -0.630 0.000 0.999 133 A N -1.298 121.505 122.820 -0.028 0.000 2.218 133 A HA 0.098 4.412 4.320 -0.010 0.000 0.209 133 A C 0.976 178.558 177.584 -0.003 0.000 1.168 133 A CA 0.593 52.641 52.037 0.018 0.000 0.804 133 A CB -0.888 18.212 19.000 0.166 0.000 0.834 133 A HN 0.081 nan 8.150 nan 0.000 0.482 134 T N 1.973 116.421 114.554 -0.177 0.000 2.814 134 T HA 0.325 4.669 4.350 -0.010 0.000 0.297 134 T C -0.005 174.704 174.700 0.015 0.000 0.956 134 T CA 0.303 62.369 62.100 -0.057 0.000 1.123 134 T CB 0.762 69.593 68.868 -0.063 0.000 0.902 134 T HN 0.211 nan 8.240 nan 0.000 0.528 135 T N 5.054 119.630 114.554 0.037 0.000 2.729 135 T HA 0.233 4.577 4.350 -0.010 0.000 0.296 135 T C 0.703 175.355 174.700 -0.081 0.000 0.928 135 T CA -0.577 61.520 62.100 -0.005 0.000 1.045 135 T CB 0.330 69.213 68.868 0.027 0.000 0.902 135 T HN 0.428 nan 8.240 nan 0.000 0.500 136 R N 2.810 123.112 120.500 -0.330 0.000 2.500 136 R HA 0.053 4.387 4.340 -0.010 0.000 0.281 136 R C -0.713 175.372 176.300 -0.358 0.000 0.953 136 R CA 0.608 56.206 56.100 -0.836 0.000 1.108 136 R CB 0.058 29.954 30.300 -0.673 0.000 0.901 136 R HN 0.713 nan 8.270 nan 0.000 0.410 137 Y N 1.091 121.276 120.300 -0.192 0.000 2.576 137 Y HA 0.651 5.195 4.550 -0.010 0.000 0.346 137 Y C 0.412 176.541 175.900 0.382 0.000 1.018 137 Y CA -0.537 57.643 58.100 0.133 0.000 1.050 137 Y CB 0.829 39.393 38.460 0.172 0.000 1.280 137 Y HN 0.892 nan 8.280 nan 0.000 0.474 138 G N 1.631 110.694 108.800 0.439 0.000 2.645 138 G HA2 -0.319 3.635 3.960 -0.010 0.000 0.239 138 G HA3 -0.319 3.635 3.960 -0.010 0.000 0.239 138 G C -0.799 174.307 174.900 0.344 0.000 1.331 138 G CA -0.218 45.113 45.100 0.386 0.000 0.890 138 G HN 1.110 nan 8.290 nan 0.000 0.572 139 N N 1.852 120.714 118.700 0.270 0.000 2.434 139 N HA 0.046 4.779 4.740 -0.010 0.000 0.268 139 N C 1.808 177.459 175.510 0.235 0.000 1.256 139 N CA 0.406 53.562 53.050 0.176 0.000 0.914 139 N CB -0.134 38.390 38.487 0.060 0.000 1.088 139 N HN 0.712 nan 8.380 nan 0.000 0.478 140 W N 3.457 124.916 121.300 0.264 0.000 2.350 140 W HA -0.165 4.489 4.660 -0.011 0.000 0.289 140 W C 1.293 177.977 176.519 0.275 0.000 1.215 140 W CA -0.028 57.471 57.345 0.258 0.000 1.236 140 W CB -1.149 28.375 29.460 0.106 0.000 1.130 140 W HN 0.665 nan 8.180 nan 0.000 0.541 141 W N 2.932 123.580 121.300 -1.086 0.000 2.363 141 W HA -0.177 4.476 4.660 -0.011 0.000 0.296 141 W C 2.312 178.574 176.519 -0.427 0.000 1.212 141 W CA 2.485 59.140 57.345 -1.149 0.000 1.260 141 W CB -0.194 28.544 29.460 -1.202 0.000 1.131 141 W HN -0.209 nan 8.180 nan 0.000 0.530 142 E N -0.720 119.457 120.200 -0.039 0.000 2.153 142 E HA -0.233 4.111 4.350 -0.010 0.000 0.194 142 E C 1.661 178.001 176.600 -0.433 0.000 0.988 142 E CA 1.782 58.056 56.400 -0.210 0.000 0.811 142 E CB -1.017 28.514 29.700 -0.282 0.000 0.746 142 E HN 0.551 nan 8.360 nan 0.000 0.466 143 W N 0.902 122.059 121.300 -0.240 0.000 2.539 143 W HA 0.055 4.709 4.660 -0.010 0.000 0.281 143 W C 2.226 178.634 176.519 -0.185 0.000 1.220 143 W CA 0.137 57.314 57.345 -0.280 0.000 1.332 143 W CB 0.079 29.332 29.460 -0.346 0.000 1.095 143 W HN 0.029 nan 8.180 nan 0.000 0.571 144 Q N -0.584 119.273 119.800 0.096 0.000 2.384 144 Q HA 0.186 4.520 4.340 -0.010 0.000 0.207 144 Q C 1.435 177.339 176.000 -0.160 0.000 0.904 144 Q CA 0.700 56.552 55.803 0.081 0.000 0.933 144 Q CB 0.651 29.555 28.738 0.276 0.000 1.077 144 Q HN 0.394 nan 8.270 nan 0.000 0.522 145 I N -2.225 118.031 120.570 -0.523 0.000 3.859 145 I HA 0.098 4.262 4.170 -0.010 0.000 0.266 145 I C 1.912 177.458 176.117 -0.953 0.000 1.132 145 I CA 0.450 61.273 61.300 -0.795 0.000 1.361 145 I CB -0.195 37.065 38.000 -1.234 0.000 1.690 145 I HN 0.103 nan 8.210 nan 0.000 0.424 146 G N 0.918 108.873 108.800 -1.408 0.000 2.511 146 G HA2 -0.212 3.742 3.960 -0.010 0.000 0.216 146 G HA3 -0.212 3.742 3.960 -0.010 0.000 0.216 146 G C 1.639 176.249 174.900 -0.483 0.000 1.218 146 G CA 1.365 45.928 45.100 -0.895 0.000 0.788 146 G HN 0.289 nan 8.290 nan 0.000 0.560 147 S N 1.522 116.928 115.700 -0.490 0.000 2.356 147 S HA -0.054 4.410 4.470 -0.010 0.000 0.223 147 S C 0.196 174.364 174.600 -0.720 0.000 1.032 147 S CA 1.620 59.464 58.200 -0.593 0.000 1.005 147 S CB -0.732 61.994 63.200 -0.789 0.000 0.867 147 S HN 0.362 nan 8.310 nan 0.000 0.449 148 P HA -0.046 nan 4.420 nan 0.000 0.219 148 P C 1.055 178.159 177.300 -0.325 0.000 1.150 148 P CA 1.082 63.982 63.100 -0.333 0.000 0.814 148 P CB -0.064 31.576 31.700 -0.100 0.000 0.787 149 R N -0.655 119.651 120.500 -0.324 0.000 2.115 149 R HA 0.032 4.366 4.340 -0.010 0.000 0.230 149 R C 2.513 178.633 176.300 -0.299 0.000 1.111 149 R CA 0.869 56.810 56.100 -0.265 0.000 0.976 149 R CB -0.776 29.390 30.300 -0.224 0.000 0.870 149 R HN 0.235 nan 8.270 nan 0.000 0.445 150 L N 0.148 121.156 121.223 -0.357 0.000 2.072 150 L HA -0.140 4.194 4.340 -0.010 0.000 0.205 150 L C 2.287 178.977 176.870 -0.299 0.000 1.079 150 L CA 0.485 55.124 54.840 -0.334 0.000 0.752 150 L CB -0.382 41.549 42.059 -0.214 0.000 0.906 150 L HN 0.158 nan 8.230 nan 0.000 0.436 151 L N -0.435 120.476 121.223 -0.519 0.000 1.989 151 L HA -0.251 4.083 4.340 -0.010 0.000 0.211 151 L C 2.520 179.290 176.870 -0.166 0.000 1.071 151 L CA 1.979 56.547 54.840 -0.454 0.000 0.749 151 L CB -0.518 41.121 42.059 -0.700 0.000 0.890 151 L HN 0.169 nan 8.230 nan 0.000 0.431 152 M N -0.684 118.809 119.600 -0.179 0.000 2.108 152 M HA -0.216 4.258 4.480 -0.010 0.000 0.261 152 M C 2.002 178.274 176.300 -0.047 0.000 1.066 152 M CA 1.620 56.852 55.300 -0.113 0.000 1.107 152 M CB -1.509 30.979 32.600 -0.187 0.000 1.356 152 M HN 0.303 nan 8.290 nan 0.000 0.406 153 D N 0.329 120.671 120.400 -0.097 0.000 2.117 153 D HA -0.037 4.597 4.640 -0.010 0.000 0.198 153 D C 2.155 178.569 176.300 0.190 0.000 0.982 153 D CA 1.046 55.008 54.000 -0.065 0.000 0.828 153 D CB -0.205 40.227 40.800 -0.614 0.000 0.967 153 D HN 0.358 nan 8.370 nan 0.000 0.464 154 I N 0.731 121.444 120.570 0.237 0.000 2.226 154 I HA -0.233 3.931 4.170 -0.010 0.000 0.245 154 I C 2.250 178.555 176.117 0.314 0.000 1.100 154 I CA 1.064 62.625 61.300 0.434 0.000 1.374 154 I CB -0.308 37.909 38.000 0.361 0.000 1.057 154 I HN -0.042 nan 8.210 nan 0.000 0.413 155 T N 0.615 115.296 114.554 0.212 0.000 2.788 155 T HA -0.118 4.226 4.350 -0.010 0.000 0.268 155 T C 2.017 176.885 174.700 0.280 0.000 1.044 155 T CA 1.364 63.590 62.100 0.209 0.000 1.139 155 T CB -0.235 68.721 68.868 0.146 0.000 0.867 155 T HN 0.472 nan 8.240 nan 0.000 0.454 156 A N 1.395 124.366 122.820 0.250 0.000 1.872 156 A HA 0.277 4.591 4.320 -0.010 0.000 0.214 156 A C 2.640 180.411 177.584 0.311 0.000 1.187 156 A CA 1.578 53.765 52.037 0.250 0.000 0.614 156 A CB -1.064 18.076 19.000 0.234 0.000 0.826 156 A HN 0.482 nan 8.150 nan 0.000 0.442 157 A N -0.655 122.391 122.820 0.376 0.000 1.972 157 A HA 0.067 4.381 4.320 -0.010 0.000 0.219 157 A C 1.824 179.617 177.584 0.349 0.000 1.169 157 A CA 1.404 53.664 52.037 0.371 0.000 0.635 157 A CB -0.382 18.883 19.000 0.441 0.000 0.810 157 A HN 0.450 nan 8.150 nan 0.000 0.446 158 L N -2.168 119.265 121.223 0.350 0.000 2.728 158 L HA 0.132 4.466 4.340 -0.010 0.000 0.238 158 L C 1.739 178.792 176.870 0.305 0.000 1.143 158 L CA -0.168 54.891 54.840 0.364 0.000 0.937 158 L CB -0.268 41.950 42.059 0.264 0.000 1.225 158 L HN 0.457 nan 8.230 nan 0.000 0.507 159 Y N 1.994 122.379 120.300 0.143 0.000 2.073 159 Y HA -0.433 4.111 4.550 -0.010 0.000 0.270 159 Y C 2.161 178.073 175.900 0.019 0.000 1.226 159 Y CA 2.371 60.518 58.100 0.078 0.000 1.117 159 Y CB 0.036 38.540 38.460 0.072 0.000 0.939 159 Y HN 0.311 nan 8.280 nan 0.000 0.504 160 D N -1.642 118.783 120.400 0.040 0.000 2.178 160 D HA -0.148 4.486 4.640 -0.010 0.000 0.202 160 D C 1.839 177.990 176.300 -0.248 0.000 0.974 160 D CA 1.474 55.381 54.000 -0.156 0.000 0.841 160 D CB -0.419 40.277 40.800 -0.174 0.000 0.953 160 D HN 0.610 nan 8.370 nan 0.000 0.478 161 H N -0.167 118.930 119.070 0.045 0.000 2.551 161 H HA 0.140 4.690 4.556 -0.010 0.000 0.266 161 H C 2.081 177.395 175.328 -0.023 0.000 0.977 161 H CA 0.173 56.230 56.048 0.015 0.000 1.163 161 H CB 0.522 30.294 29.762 0.016 0.000 1.381 161 H HN 0.178 nan 8.280 nan 0.000 0.581 162 L N -0.184 121.055 121.223 0.026 0.000 2.249 162 L HA 0.153 4.486 4.340 -0.010 0.000 0.207 162 L C 0.978 177.825 176.870 -0.039 0.000 1.090 162 L CA 0.498 55.342 54.840 0.007 0.000 0.802 162 L CB 0.039 42.096 42.059 -0.003 0.000 0.947 162 L HN 0.313 nan 8.230 nan 0.000 0.453 163 G N -0.831 107.909 108.800 -0.100 0.000 2.785 163 G HA2 -0.196 3.758 3.960 -0.010 0.000 0.685 163 G HA3 -0.196 3.758 3.960 -0.010 0.000 0.685 163 G C 0.660 175.486 174.900 -0.123 0.000 1.480 163 G CA -0.248 44.790 45.100 -0.103 0.000 0.915 163 G HN 0.249 nan 8.290 nan 0.000 0.576 164 A N -0.023 122.732 122.820 -0.109 0.000 1.940 164 A HA -0.020 4.294 4.320 -0.010 0.000 0.219 164 A C 2.076 179.626 177.584 -0.056 0.000 1.176 164 A CA 2.505 54.486 52.037 -0.094 0.000 0.631 164 A CB -0.350 18.609 19.000 -0.067 0.000 0.814 164 A HN 0.775 nan 8.150 nan 0.000 0.446 165 D N -0.570 119.808 120.400 -0.037 0.000 2.144 165 D HA -0.108 4.525 4.640 -0.010 0.000 0.199 165 D C 2.203 178.499 176.300 -0.006 0.000 0.984 165 D CA 1.016 55.005 54.000 -0.018 0.000 0.834 165 D CB -0.296 40.498 40.800 -0.011 0.000 0.955 165 D HN 0.461 nan 8.370 nan 0.000 0.465 166 R N 0.321 120.817 120.500 -0.006 0.000 2.073 166 R HA -0.028 4.306 4.340 -0.010 0.000 0.229 166 R C 2.437 178.751 176.300 0.023 0.000 1.120 166 R CA 0.522 56.635 56.100 0.021 0.000 0.967 166 R CB -0.314 30.002 30.300 0.027 0.000 0.862 166 R HN 0.066 nan 8.270 nan 0.000 0.436 167 V N 1.153 121.057 119.914 -0.015 0.000 2.295 167 V HA -0.246 3.867 4.120 -0.010 0.000 0.246 167 V C 2.466 178.568 176.094 0.013 0.000 1.049 167 V CA 2.035 64.334 62.300 -0.003 0.000 1.024 167 V CB -0.716 31.065 31.823 -0.070 0.000 0.648 167 V HN 0.394 nan 8.190 nan 0.000 0.447 168 A N -0.114 122.703 122.820 -0.005 0.000 1.933 168 A HA -0.071 4.242 4.320 -0.010 0.000 0.218 168 A C 2.380 179.972 177.584 0.014 0.000 1.175 168 A CA 2.014 54.050 52.037 -0.002 0.000 0.628 168 A CB -0.684 18.308 19.000 -0.014 0.000 0.814 168 A HN 0.569 nan 8.150 nan 0.000 0.444 169 A N -0.326 122.510 122.820 0.028 0.000 1.968 169 A HA 0.281 4.595 4.320 -0.010 0.000 0.217 169 A C 2.441 180.076 177.584 0.085 0.000 1.169 169 A CA 1.662 53.728 52.037 0.048 0.000 0.638 169 A CB -0.838 18.196 19.000 0.057 0.000 0.812 169 A HN 0.973 nan 8.150 nan 0.000 0.446 170 A N -0.848 122.028 122.820 0.093 0.000 1.933 170 A HA -0.168 4.145 4.320 -0.010 0.000 0.218 170 A C 2.253 179.891 177.584 0.089 0.000 1.175 170 A CA 1.717 53.823 52.037 0.116 0.000 0.628 170 A CB -1.176 17.881 19.000 0.095 0.000 0.814 170 A HN 0.595 nan 8.150 nan 0.000 0.444 171 C N -1.152 118.178 119.300 0.049 0.000 2.457 171 C HA 0.164 4.618 4.460 -0.010 0.000 0.278 171 C C 3.285 178.288 174.990 0.022 0.000 1.309 171 C CA 0.514 59.544 59.018 0.021 0.000 1.735 171 C CB -1.264 26.473 27.740 -0.005 0.000 1.992 171 C HN 0.706 nan 8.230 nan 0.000 0.493 172 A N 0.757 123.589 122.820 0.021 0.000 1.933 172 A HA 0.076 4.390 4.320 -0.010 0.000 0.218 172 A C 2.355 179.946 177.584 0.011 0.000 1.175 172 A CA 1.996 54.034 52.037 0.002 0.000 0.628 172 A CB -0.811 18.181 19.000 -0.012 0.000 0.814 172 A HN 0.555 nan 8.150 nan 0.000 0.444 173 A N -0.511 122.347 122.820 0.064 0.000 1.902 173 A HA 0.005 4.319 4.320 -0.010 0.000 0.217 173 A C 2.229 179.914 177.584 0.167 0.000 1.181 173 A CA 1.754 53.846 52.037 0.091 0.000 0.623 173 A CB -0.954 18.182 19.000 0.227 0.000 0.818 173 A HN 0.375 nan 8.150 nan 0.000 0.443 174 V N 0.785 120.807 119.914 0.180 0.000 2.287 174 V HA -0.273 3.840 4.120 -0.010 0.000 0.248 174 V C 2.202 178.339 176.094 0.072 0.000 1.053 174 V CA 2.387 64.779 62.300 0.153 0.000 1.027 174 V CB -0.886 30.983 31.823 0.076 0.000 0.646 174 V HN 0.502 nan 8.190 nan 0.000 0.447 175 D N -1.017 119.396 120.400 0.022 0.000 2.149 175 D HA -0.207 4.427 4.640 -0.010 0.000 0.198 175 D C 2.051 178.324 176.300 -0.045 0.000 0.990 175 D CA 1.854 55.843 54.000 -0.017 0.000 0.839 175 D CB -0.322 40.463 40.800 -0.025 0.000 0.948 175 D HN 0.664 nan 8.370 nan 0.000 0.460 176 H N -0.743 118.203 119.070 -0.207 0.000 2.357 176 H HA -0.046 4.504 4.556 -0.010 0.000 0.301 176 H C 1.590 176.660 175.328 -0.430 0.000 1.082 176 H CA 1.443 57.252 56.048 -0.399 0.000 1.342 176 H CB -0.321 29.044 29.762 -0.661 0.000 1.389 176 H HN 0.051 nan 8.280 nan 0.000 0.511 177 F N -0.678 119.135 119.950 -0.229 0.000 2.473 177 F HA 0.189 4.710 4.527 -0.010 0.000 0.294 177 F C 0.683 176.405 175.800 -0.131 0.000 1.103 177 F CA 0.261 58.108 58.000 -0.256 0.000 1.442 177 F CB 0.655 39.603 39.000 -0.087 0.000 1.097 177 F HN -0.060 nan 8.300 nan 0.000 0.547 178 V N 2.692 122.648 119.914 0.070 0.000 2.313 178 V HA 0.279 4.392 4.120 -0.010 0.000 0.262 178 V C -2.285 173.793 176.094 -0.026 0.000 1.011 178 V CA -1.659 60.657 62.300 0.027 0.000 0.858 178 V CB 0.066 31.915 31.823 0.044 0.000 1.104 178 V HN -0.139 nan 8.190 nan 0.000 0.456 179 P HA 0.271 nan 4.420 nan 0.000 0.276 179 P C 0.320 177.589 177.300 -0.052 0.000 1.261 179 P CA -0.191 62.870 63.100 -0.065 0.000 0.800 179 P CB 1.435 33.081 31.700 -0.090 0.000 1.066 180 D N 0.677 121.049 120.400 -0.047 0.000 2.158 180 D HA -0.174 4.460 4.640 -0.010 0.000 0.197 180 D C 1.940 178.215 176.300 -0.040 0.000 0.995 180 D CA 2.047 56.023 54.000 -0.040 0.000 0.846 180 D CB -0.854 39.925 40.800 -0.035 0.000 0.941 180 D HN 0.436 nan 8.370 nan 0.000 0.456 181 A N 0.435 123.226 122.820 -0.048 0.000 2.070 181 A HA -0.135 4.179 4.320 -0.010 0.000 0.220 181 A C 2.019 179.568 177.584 -0.059 0.000 1.159 181 A CA 0.922 52.928 52.037 -0.052 0.000 0.656 181 A CB -0.371 18.594 19.000 -0.060 0.000 0.800 181 A HN 0.103 nan 8.150 nan 0.000 0.453 182 M N -0.810 118.754 119.600 -0.060 0.000 2.549 182 M HA 0.108 4.582 4.480 -0.010 0.000 0.260 182 M C 0.877 177.151 176.300 -0.044 0.000 1.076 182 M CA 1.043 56.305 55.300 -0.064 0.000 1.090 182 M CB -0.705 31.864 32.600 -0.051 0.000 1.418 182 M HN 0.363 nan 8.290 nan 0.000 0.486 183 L N -1.437 119.767 121.223 -0.032 0.000 3.066 183 L HA 0.252 4.586 4.340 -0.010 0.000 0.265 183 L C 1.449 178.314 176.870 -0.009 0.000 1.232 183 L CA -0.480 54.352 54.840 -0.014 0.000 1.031 183 L CB -0.076 41.974 42.059 -0.015 0.000 1.379 183 L HN 0.176 nan 8.230 nan 0.000 0.563 184 G N 0.263 109.052 108.800 -0.018 0.000 2.908 184 G HA2 0.284 4.238 3.960 -0.010 0.000 0.188 184 G HA3 0.284 4.238 3.960 -0.010 0.000 0.188 184 G C 0.527 175.429 174.900 0.003 0.000 1.903 184 G CA 0.380 45.471 45.100 -0.014 0.000 0.883 184 G HN 0.293 nan 8.290 nan 0.000 0.515 185 A N -0.697 122.116 122.820 -0.013 0.000 2.567 185 A HA 0.229 4.543 4.320 -0.010 0.000 0.240 185 A C -0.373 177.229 177.584 0.030 0.000 1.053 185 A CA -0.085 51.951 52.037 -0.002 0.000 0.755 185 A CB -0.385 18.592 19.000 -0.038 0.000 0.978 185 A HN 0.566 nan 8.150 nan 0.000 0.507 186 Y N 3.282 123.534 120.300 -0.080 0.000 2.570 186 Y HA 0.437 4.981 4.550 -0.010 0.000 0.336 186 Y C 0.735 176.577 175.900 -0.098 0.000 1.284 186 Y CA 1.169 59.216 58.100 -0.088 0.000 1.761 186 Y CB -0.219 38.189 38.460 -0.086 0.000 1.724 186 Y HN 0.802 nan 8.280 nan 0.000 0.455 187 T N 1.530 115.902 114.554 -0.303 0.000 2.749 187 T HA 0.527 4.871 4.350 -0.010 0.000 0.310 187 T C 0.415 174.928 174.700 -0.311 0.000 1.496 187 T CA 0.097 62.018 62.100 -0.297 0.000 1.006 187 T CB 0.519 69.283 68.868 -0.173 0.000 1.457 187 T HN 0.880 nan 8.240 nan 0.000 0.497 188 G N 1.671 110.293 108.800 -0.296 0.000 2.665 188 G HA2 -0.355 3.598 3.960 -0.010 0.000 0.326 188 G HA3 -0.355 3.598 3.960 -0.010 0.000 0.326 188 G C 1.127 175.799 174.900 -0.380 0.000 1.231 188 G CA 1.902 46.812 45.100 -0.317 0.000 0.992 188 G HN 1.903 nan 8.290 nan 0.000 0.549 189 T N -2.485 111.769 114.554 -0.500 0.000 3.252 189 T HA 0.504 4.848 4.350 -0.010 0.000 0.250 189 T C 1.134 175.595 174.700 -0.398 0.000 1.123 189 T CA 1.472 63.160 62.100 -0.686 0.000 1.006 189 T CB 0.336 68.334 68.868 -1.451 0.000 0.992 189 T HN 1.219 nan 8.240 nan 0.000 0.547 190 S N 1.996 117.508 115.700 -0.313 0.000 2.272 190 S HA 0.438 4.902 4.470 -0.010 0.000 0.207 190 S C -0.006 174.407 174.600 -0.312 0.000 1.336 190 S CA -0.646 57.430 58.200 -0.207 0.000 1.259 190 S CB -0.340 62.768 63.200 -0.153 0.000 1.130 190 S HN 0.755 nan 8.310 nan 0.000 0.444 191 T N -1.762 112.585 114.554 -0.346 0.000 2.901 191 T HA 0.822 5.166 4.350 -0.010 0.000 0.293 191 T C 0.903 175.547 174.700 -0.092 0.000 1.084 191 T CA -0.002 61.752 62.100 -0.576 0.000 1.008 191 T CB 1.011 69.432 68.868 -0.745 0.000 1.170 191 T HN 0.882 nan 8.240 nan 0.000 0.509 192 G N 1.351 110.231 108.800 0.133 0.000 2.614 192 G HA2 -0.080 3.874 3.960 -0.010 0.000 0.303 192 G HA3 -0.080 3.874 3.960 -0.010 0.000 0.303 192 G C 1.312 176.377 174.900 0.274 0.000 1.270 192 G CA 1.153 46.415 45.100 0.270 0.000 0.988 192 G HN 1.891 nan 8.290 nan 0.000 0.551 193 A N -0.590 122.433 122.820 0.339 0.000 1.986 193 A HA -0.142 4.172 4.320 -0.010 0.000 0.220 193 A C 2.245 179.981 177.584 0.254 0.000 1.171 193 A CA 2.585 54.796 52.037 0.290 0.000 0.640 193 A CB -0.534 18.694 19.000 0.381 0.000 0.811 193 A HN 0.682 nan 8.150 nan 0.000 0.451 194 N N -0.504 118.346 118.700 0.251 0.000 2.106 194 N HA -0.150 4.584 4.740 -0.010 0.000 0.188 194 N C 1.837 177.447 175.510 0.167 0.000 1.029 194 N CA 1.482 54.696 53.050 0.272 0.000 0.848 194 N CB -0.488 38.190 38.487 0.318 0.000 1.007 194 N HN 0.476 nan 8.380 nan 0.000 0.423 195 R N 1.536 122.107 120.500 0.118 0.000 2.113 195 R HA -0.073 4.260 4.340 -0.010 0.000 0.244 195 R C 1.916 178.275 176.300 0.098 0.000 1.142 195 R CA 1.324 57.492 56.100 0.112 0.000 0.953 195 R CB -0.961 29.465 30.300 0.210 0.000 0.860 195 R HN 0.058 nan 8.270 nan 0.000 0.438 196 V N 0.980 120.963 119.914 0.114 0.000 2.358 196 V HA -0.198 3.916 4.120 -0.010 0.000 0.246 196 V C 1.845 177.970 176.094 0.052 0.000 1.047 196 V CA 2.192 64.538 62.300 0.078 0.000 1.035 196 V CB -0.584 31.288 31.823 0.081 0.000 0.658 196 V HN 0.344 nan 8.190 nan 0.000 0.452 197 D N 0.055 120.499 120.400 0.072 0.000 2.144 197 D HA -0.105 4.529 4.640 -0.010 0.000 0.199 197 D C 2.140 178.432 176.300 -0.014 0.000 0.984 197 D CA 1.152 55.170 54.000 0.030 0.000 0.834 197 D CB -0.147 40.688 40.800 0.058 0.000 0.955 197 D HN 0.340 nan 8.370 nan 0.000 0.465 198 L N 0.047 121.279 121.223 0.016 0.000 2.046 198 L HA -0.191 4.143 4.340 -0.010 0.000 0.208 198 L C 2.706 179.559 176.870 -0.029 0.000 1.077 198 L CA 0.812 55.650 54.840 -0.003 0.000 0.747 198 L CB -0.420 41.654 42.059 0.024 0.000 0.896 198 L HN 0.118 nan 8.230 nan 0.000 0.432 199 C N -0.478 118.812 119.300 -0.017 0.000 2.422 199 C HA -0.154 4.299 4.460 -0.010 0.000 0.279 199 C C 3.013 177.958 174.990 -0.075 0.000 1.305 199 C CA 0.941 59.939 59.018 -0.033 0.000 1.757 199 C CB -1.034 26.705 27.740 -0.001 0.000 1.962 199 C HN 0.508 nan 8.230 nan 0.000 0.499 200 R N 1.116 121.570 120.500 -0.077 0.000 2.073 200 R HA -0.127 4.207 4.340 -0.010 0.000 0.234 200 R C 2.120 178.288 176.300 -0.220 0.000 1.134 200 R CA 2.235 58.249 56.100 -0.144 0.000 0.952 200 R CB -0.485 29.765 30.300 -0.083 0.000 0.850 200 R HN 0.380 nan 8.270 nan 0.000 0.433 201 S N 0.058 115.659 115.700 -0.166 0.000 2.368 201 S HA -0.070 4.394 4.470 -0.010 0.000 0.224 201 S C 1.921 176.425 174.600 -0.159 0.000 1.029 201 S CA 1.270 59.367 58.200 -0.172 0.000 0.988 201 S CB -0.062 63.063 63.200 -0.125 0.000 0.838 201 S HN 0.215 nan 8.310 nan 0.000 0.462 202 V N 2.111 121.951 119.914 -0.123 0.000 2.343 202 V HA -0.216 3.898 4.120 -0.010 0.000 0.247 202 V C 2.620 178.619 176.094 -0.159 0.000 1.051 202 V CA 1.729 63.961 62.300 -0.113 0.000 1.036 202 V CB -1.258 30.517 31.823 -0.080 0.000 0.654 202 V HN 0.528 nan 8.190 nan 0.000 0.451 203 A N -0.107 122.602 122.820 -0.186 0.000 1.858 203 A HA -0.151 4.163 4.320 -0.010 0.000 0.216 203 A C 2.191 179.598 177.584 -0.295 0.000 1.190 203 A CA 1.679 53.576 52.037 -0.234 0.000 0.617 203 A CB -0.561 18.305 19.000 -0.224 0.000 0.827 203 A HN 0.385 nan 8.150 nan 0.000 0.443 204 L N -0.405 120.600 121.223 -0.364 0.000 2.093 204 L HA -0.115 4.219 4.340 -0.010 0.000 0.208 204 L C 2.657 179.378 176.870 -0.248 0.000 1.085 204 L CA 1.756 56.353 54.840 -0.405 0.000 0.755 204 L CB -1.188 40.547 42.059 -0.540 0.000 0.904 204 L HN 0.519 nan 8.230 nan 0.000 0.435 205 R N 0.517 120.902 120.500 -0.191 0.000 2.152 205 R HA -0.132 4.202 4.340 -0.010 0.000 0.232 205 R C 1.990 178.205 176.300 -0.142 0.000 1.117 205 R CA 1.501 57.524 56.100 -0.128 0.000 0.981 205 R CB -0.389 29.854 30.300 -0.096 0.000 0.870 205 R HN 0.365 nan 8.270 nan 0.000 0.451 206 G N 0.158 108.849 108.800 -0.182 0.000 2.394 206 G HA2 -0.138 3.816 3.960 -0.010 0.000 0.215 206 G HA3 -0.138 3.816 3.960 -0.010 0.000 0.215 206 G C 1.556 176.333 174.900 -0.206 0.000 1.165 206 G CA 0.586 45.561 45.100 -0.210 0.000 0.784 206 G HN 0.191 nan 8.290 nan 0.000 0.535 207 V N 0.953 120.756 119.914 -0.186 0.000 2.261 207 V HA -0.129 3.984 4.120 -0.010 0.000 0.246 207 V C 2.892 178.931 176.094 -0.092 0.000 1.047 207 V CA 1.617 63.868 62.300 -0.081 0.000 1.015 207 V CB -0.405 31.338 31.823 -0.133 0.000 0.642 207 V HN 0.323 nan 8.190 nan 0.000 0.446 208 L N 0.057 121.215 121.223 -0.108 0.000 2.179 208 L HA 0.073 4.407 4.340 -0.010 0.000 0.208 208 L C 2.263 179.149 176.870 0.026 0.000 1.096 208 L CA 1.340 56.164 54.840 -0.027 0.000 0.779 208 L CB -0.696 41.384 42.059 0.035 0.000 0.922 208 L HN 0.466 nan 8.230 nan 0.000 0.443 209 G N -0.711 108.047 108.800 -0.070 0.000 3.141 209 G HA2 0.034 3.988 3.960 -0.010 0.000 0.218 209 G HA3 0.034 3.988 3.960 -0.010 0.000 0.218 209 G C 0.476 175.245 174.900 -0.219 0.000 1.170 209 G CA -0.471 44.576 45.100 -0.089 0.000 0.769 209 G HN 0.319 nan 8.290 nan 0.000 0.546 210 R N -0.970 119.284 120.500 -0.410 0.000 3.158 210 R HA -0.192 4.142 4.340 -0.010 0.000 0.244 210 R C 0.205 176.135 176.300 -0.616 0.000 0.900 210 R CA 0.408 55.929 56.100 -0.964 0.000 0.618 210 R CB -2.043 27.738 30.300 -0.866 0.000 1.061 210 R HN 0.419 nan 8.270 nan 0.000 0.471 211 A N 0.841 123.440 122.820 -0.369 0.000 2.664 211 A HA 0.448 4.762 4.320 -0.010 0.000 0.338 211 A C -1.158 176.360 177.584 -0.111 0.000 1.280 211 A CA -1.442 50.489 52.037 -0.177 0.000 0.809 211 A CB 0.688 19.606 19.000 -0.138 0.000 1.114 211 A HN 0.078 nan 8.150 nan 0.000 0.479 212 P HA -0.240 nan 4.420 nan 0.000 0.216 212 P C 1.504 178.821 177.300 0.029 0.000 1.150 212 P CA 2.003 65.183 63.100 0.134 0.000 0.843 212 P CB 0.251 32.239 31.700 0.481 0.000 0.787 213 A N 0.300 123.148 122.820 0.046 0.000 1.972 213 A HA -0.156 4.158 4.320 -0.010 0.000 0.219 213 A C 2.248 179.810 177.584 -0.036 0.000 1.169 213 A CA 1.429 53.487 52.037 0.036 0.000 0.635 213 A CB -0.793 18.226 19.000 0.031 0.000 0.810 213 A HN 0.051 nan 8.150 nan 0.000 0.446 214 K N 0.027 120.371 120.400 -0.093 0.000 2.057 214 K HA -0.007 4.306 4.320 -0.010 0.000 0.206 214 K C 1.840 178.332 176.600 -0.179 0.000 1.050 214 K CA 1.251 57.467 56.287 -0.118 0.000 0.935 214 K CB -0.576 31.849 32.500 -0.126 0.000 0.715 214 K HN 0.632 nan 8.250 nan 0.000 0.439 215 I N 1.106 121.480 120.570 -0.327 0.000 2.179 215 I HA -0.266 3.898 4.170 -0.010 0.000 0.242 215 I C 2.505 178.453 176.117 -0.282 0.000 1.088 215 I CA 1.335 62.343 61.300 -0.486 0.000 1.357 215 I CB -0.592 36.745 38.000 -1.105 0.000 1.051 215 I HN 0.023 nan 8.210 nan 0.000 0.409 216 A N 0.916 123.653 122.820 -0.139 0.000 1.933 216 A HA -0.208 4.106 4.320 -0.010 0.000 0.218 216 A C 2.286 179.915 177.584 0.075 0.000 1.175 216 A CA 1.544 53.688 52.037 0.179 0.000 0.628 216 A CB -0.756 18.417 19.000 0.288 0.000 0.814 216 A HN 0.407 nan 8.150 nan 0.000 0.444 217 L N -0.284 120.945 121.223 0.010 0.000 2.046 217 L HA -0.049 4.285 4.340 -0.010 0.000 0.208 217 L C 2.632 179.501 176.870 -0.003 0.000 1.077 217 L CA 2.257 57.099 54.840 0.002 0.000 0.747 217 L CB -0.742 41.306 42.059 -0.018 0.000 0.896 217 L HN 0.320 nan 8.230 nan 0.000 0.432 218 A N -0.274 122.531 122.820 -0.026 0.000 1.898 218 A HA -0.215 4.099 4.320 -0.010 0.000 0.216 218 A C 2.552 180.152 177.584 0.027 0.000 1.181 218 A CA 1.654 53.677 52.037 -0.023 0.000 0.620 218 A CB -0.684 18.276 19.000 -0.067 0.000 0.819 218 A HN 0.534 nan 8.150 nan 0.000 0.442 219 R N -0.229 120.309 120.500 0.063 0.000 2.073 219 R HA -0.172 4.162 4.340 -0.010 0.000 0.234 219 R C 1.273 177.634 176.300 0.102 0.000 1.134 219 R CA 1.973 58.151 56.100 0.131 0.000 0.952 219 R CB -0.508 29.907 30.300 0.192 0.000 0.850 219 R HN 0.395 nan 8.270 nan 0.000 0.433 220 D N 0.547 120.990 120.400 0.072 0.000 2.144 220 D HA -0.112 4.522 4.640 -0.010 0.000 0.199 220 D C 1.610 177.900 176.300 -0.017 0.000 0.984 220 D CA 1.503 55.526 54.000 0.038 0.000 0.834 220 D CB -0.191 40.628 40.800 0.032 0.000 0.955 220 D HN 0.419 nan 8.370 nan 0.000 0.465 221 A N 0.216 123.025 122.820 -0.019 0.000 2.168 221 A HA -0.006 4.308 4.320 -0.010 0.000 0.215 221 A C 2.205 179.725 177.584 -0.106 0.000 1.152 221 A CA 0.335 52.343 52.037 -0.048 0.000 0.716 221 A CB -0.509 18.482 19.000 -0.015 0.000 0.794 221 A HN 0.203 nan 8.150 nan 0.000 0.465 222 L N -0.805 120.354 121.223 -0.107 0.000 2.217 222 L HA -0.114 4.219 4.340 -0.010 0.000 0.211 222 L C 2.676 179.066 176.870 -0.801 0.000 1.107 222 L CA 0.974 55.666 54.840 -0.248 0.000 0.783 222 L CB -0.419 41.660 42.059 0.034 0.000 0.919 222 L HN 0.311 nan 8.230 nan 0.000 0.442 223 S N 0.454 115.813 115.700 -0.569 0.000 2.365 223 S HA -0.109 4.355 4.470 -0.010 0.000 0.225 223 S C -0.595 173.578 174.600 -0.712 0.000 1.039 223 S CA 1.661 59.477 58.200 -0.640 0.000 1.033 223 S CB -1.100 61.995 63.200 -0.175 0.000 0.887 223 S HN 0.362 nan 8.310 nan 0.000 0.447 224 P HA 0.093 nan 4.420 nan 0.000 0.234 224 P C 1.095 177.837 177.300 -0.930 0.000 1.167 224 P CA 0.532 63.145 63.100 -0.812 0.000 0.763 224 P CB -0.180 30.855 31.700 -1.109 0.000 0.835 225 V N -1.360 118.117 119.914 -0.729 0.000 2.871 225 V HA -0.152 3.961 4.120 -0.010 0.000 0.256 225 V C 2.060 178.111 176.094 -0.072 0.000 1.082 225 V CA 1.460 63.584 62.300 -0.293 0.000 1.105 225 V CB -1.267 30.457 31.823 -0.165 0.000 0.713 225 V HN -0.041 nan 8.190 nan 0.000 0.473 226 F N 0.120 120.052 119.950 -0.031 0.000 2.149 226 F HA 0.169 4.690 4.527 -0.009 0.000 0.294 226 F C -0.848 174.898 175.800 -0.090 0.000 1.095 226 F CA -1.328 56.664 58.000 -0.013 0.000 1.276 226 F CB -2.461 36.529 39.000 -0.015 0.000 1.023 226 F HN 0.231 nan 8.300 nan 0.000 0.480 227 P HA -0.096 nan 4.420 nan 0.000 0.267 227 P C -0.867 176.439 177.300 0.009 0.000 1.200 227 P CA 0.022 63.095 63.100 -0.045 0.000 0.772 227 P CB 0.072 31.750 31.700 -0.036 0.000 0.855 228 Y N 0.509 120.836 120.300 0.045 0.000 2.511 228 Y HA 0.183 4.726 4.550 -0.011 0.000 0.332 228 Y C 1.227 177.065 175.900 -0.104 0.000 1.177 228 Y CA -0.488 57.612 58.100 -0.001 0.000 1.422 228 Y CB -0.307 38.180 38.460 0.045 0.000 1.271 228 Y HN 0.121 nan 8.280 nan 0.000 0.550 229 V N -0.072 119.770 119.914 -0.120 0.000 3.096 229 V HA 0.673 4.787 4.120 -0.010 0.000 0.319 229 V C 0.477 176.308 176.094 -0.439 0.000 1.082 229 V CA -0.135 61.985 62.300 -0.300 0.000 1.022 229 V CB 1.599 33.185 31.823 -0.397 0.000 1.103 229 V HN 0.837 nan 8.190 nan 0.000 0.455 230 T N -2.346 112.077 114.554 -0.218 0.000 3.003 230 T HA 0.346 4.690 4.350 -0.010 0.000 0.261 230 T C 0.330 175.116 174.700 0.144 0.000 1.003 230 T CA 0.408 62.508 62.100 0.000 0.000 0.917 230 T CB -0.123 68.785 68.868 0.068 0.000 1.084 230 T HN 1.194 nan 8.240 nan 0.000 0.522 231 K N -0.622 119.788 120.400 0.018 0.000 2.555 231 K HA 0.829 5.142 4.320 -0.010 0.000 0.279 231 K C 0.480 177.086 176.600 0.010 0.000 0.986 231 K CA -0.441 55.913 56.287 0.113 0.000 0.880 231 K CB 0.752 33.297 32.500 0.075 0.000 1.474 231 K HN 1.255 nan 8.250 nan 0.000 0.433 232 G N 0.411 109.217 108.800 0.009 0.000 2.593 232 G HA2 -0.142 3.812 3.960 -0.010 0.000 0.237 232 G HA3 -0.142 3.812 3.960 -0.010 0.000 0.237 232 G C -1.131 173.703 174.900 -0.110 0.000 1.312 232 G CA 0.196 45.221 45.100 -0.125 0.000 0.896 232 G HN 1.024 nan 8.290 nan 0.000 0.574 233 D N 1.736 122.020 120.400 -0.193 0.000 2.345 233 D HA 0.574 5.208 4.640 -0.010 0.000 0.247 233 D C 0.938 177.119 176.300 -0.198 0.000 1.108 233 D CA 1.826 55.681 54.000 -0.241 0.000 0.894 233 D CB 0.905 41.547 40.800 -0.263 0.000 1.203 233 D HN 1.834 nan 8.370 nan 0.000 0.430 234 G N 0.067 108.660 108.800 -0.346 0.000 2.331 234 G HA2 -0.031 3.923 3.960 -0.010 0.000 0.402 234 G HA3 -0.031 3.923 3.960 -0.010 0.000 0.402 234 G C -1.262 173.622 174.900 -0.026 0.000 1.275 234 G CA -1.045 43.977 45.100 -0.131 0.000 1.003 234 G HN 0.407 nan 8.290 nan 0.000 0.500 235 L N 0.404 121.815 121.223 0.314 0.000 2.349 235 L HA 0.570 4.904 4.340 -0.010 0.000 0.275 235 L C -0.104 176.954 176.870 0.313 0.000 1.115 235 L CA -0.561 54.561 54.840 0.469 0.000 0.820 235 L CB 0.755 43.156 42.059 0.570 0.000 1.135 235 L HN 0.556 nan 8.230 nan 0.000 0.445 236 Y N 0.384 120.776 120.300 0.154 0.000 2.496 236 Y HA 0.345 4.888 4.550 -0.011 0.000 0.331 236 Y C 1.046 176.766 175.900 -0.300 0.000 1.140 236 Y CA -0.621 57.488 58.100 0.016 0.000 1.166 236 Y CB 1.801 40.272 38.460 0.019 0.000 1.249 236 Y HN 0.657 nan 8.280 nan 0.000 0.479 237 A N 0.484 123.129 122.820 -0.293 0.000 1.978 237 A HA -0.224 4.090 4.320 -0.010 0.000 0.220 237 A C 1.507 179.038 177.584 -0.089 0.000 1.170 237 A CA 2.047 53.737 52.037 -0.578 0.000 0.636 237 A CB -0.742 18.114 19.000 -0.241 0.000 0.810 237 A HN 0.875 nan 8.150 nan 0.000 0.448 238 D N -2.182 118.259 120.400 0.068 0.000 2.352 238 D HA 0.276 4.910 4.640 -0.010 0.000 0.232 238 D C 1.125 177.517 176.300 0.154 0.000 1.055 238 D CA 1.012 55.084 54.000 0.119 0.000 0.891 238 D CB -0.525 40.291 40.800 0.025 0.000 0.897 238 D HN 0.777 nan 8.370 nan 0.000 0.529 239 G N -0.821 108.082 108.800 0.171 0.000 2.194 239 G HA2 -0.261 3.693 3.960 -0.010 0.000 0.236 239 G HA3 -0.261 3.693 3.960 -0.010 0.000 0.236 239 G C 0.442 175.486 174.900 0.241 0.000 0.987 239 G CA 0.122 45.308 45.100 0.142 0.000 0.635 239 G HN 0.425 nan 8.290 nan 0.000 0.520 240 S N -0.189 115.678 115.700 0.279 0.000 2.584 240 S HA 0.585 5.049 4.470 -0.010 0.000 0.270 240 S C -0.470 174.219 174.600 0.149 0.000 1.346 240 S CA 0.407 58.645 58.200 0.063 0.000 1.018 240 S CB 1.121 64.224 63.200 -0.161 0.000 0.899 240 S HN 0.919 nan 8.310 nan 0.000 0.542 241 F N 1.754 121.641 119.950 -0.106 0.000 2.557 241 F HA 0.576 5.097 4.527 -0.010 0.000 0.316 241 F C -1.168 174.672 175.800 0.067 0.000 1.141 241 F CA -0.628 57.393 58.000 0.034 0.000 0.922 241 F CB 1.040 39.999 39.000 -0.069 0.000 1.194 241 F HN 0.284 nan 8.300 nan 0.000 0.443 242 V N 5.661 125.186 119.914 -0.647 0.000 2.555 242 V HA 0.569 4.683 4.120 -0.010 0.000 0.302 242 V C -0.773 174.930 176.094 -0.653 0.000 1.038 242 V CA -0.509 61.553 62.300 -0.398 0.000 0.887 242 V CB 1.749 33.512 31.823 -0.099 0.000 0.991 242 V HN 0.805 nan 8.190 nan 0.000 0.434 243 Q N 1.309 120.954 119.800 -0.259 0.000 2.484 243 Q HA 0.525 4.859 4.340 -0.010 0.000 0.285 243 Q C -0.047 175.863 176.000 -0.151 0.000 1.097 243 Q CA -0.442 55.165 55.803 -0.326 0.000 0.802 243 Q CB 1.271 29.703 28.738 -0.510 0.000 1.444 243 Q HN 0.821 nan 8.270 nan 0.000 0.429 244 H N 0.756 119.679 119.070 -0.246 0.000 2.820 244 H HA -0.273 4.277 4.556 -0.010 0.000 0.295 244 H C 0.398 175.575 175.328 -0.253 0.000 1.187 244 H CA 0.718 56.668 56.048 -0.162 0.000 1.144 244 H CB -1.241 28.559 29.762 0.063 0.000 1.354 244 H HN 0.974 nan 8.280 nan 0.000 0.395 245 T N -2.994 111.379 114.554 -0.302 0.000 11.175 245 T HA -0.301 4.043 4.350 -0.010 0.000 0.406 245 T C 0.748 175.076 174.700 -0.621 0.000 1.540 245 T CA 2.097 63.803 62.100 -0.657 0.000 2.506 245 T CB -1.179 67.047 68.868 -1.070 0.000 2.817 245 T HN 0.705 nan 8.240 nan 0.000 0.982 246 W N 0.718 122.050 121.300 0.054 0.000 2.324 246 W HA 0.578 5.232 4.660 -0.010 0.000 0.316 246 W C -0.175 176.349 176.519 0.007 0.000 0.927 246 W CA -0.102 57.260 57.345 0.029 0.000 1.438 246 W CB 0.400 29.878 29.460 0.032 0.000 1.085 246 W HN 0.238 nan 8.180 nan 0.000 0.532 247 V N 1.617 121.643 119.914 0.187 0.000 2.435 247 V HA 0.608 4.722 4.120 -0.010 0.000 0.290 247 V C 0.536 176.608 176.094 -0.036 0.000 1.030 247 V CA -1.019 61.313 62.300 0.054 0.000 0.881 247 V CB 1.004 32.845 31.823 0.029 0.000 0.983 247 V HN 0.004 nan 8.190 nan 0.000 0.445 248 A N 4.121 126.875 122.820 -0.111 0.000 2.484 248 A HA 0.447 4.761 4.320 -0.010 0.000 0.268 248 A C -0.197 177.333 177.584 -0.090 0.000 1.114 248 A CA 0.364 52.347 52.037 -0.090 0.000 0.780 248 A CB -0.481 18.458 19.000 -0.102 0.000 1.061 248 A HN 0.980 nan 8.150 nan 0.000 0.505 249 Y N 1.679 122.048 120.300 0.115 0.000 2.863 249 Y HA 0.030 4.574 4.550 -0.011 0.000 0.254 249 Y C 1.748 177.842 175.900 0.324 0.000 1.124 249 Y CA 0.004 58.243 58.100 0.233 0.000 1.203 249 Y CB 0.726 39.356 38.460 0.282 0.000 1.269 249 Y HN 0.748 nan 8.280 nan 0.000 0.586 250 S N -0.286 115.611 115.700 0.329 0.000 2.402 250 S HA -0.231 4.233 4.470 -0.010 0.000 0.233 250 S C 2.184 176.826 174.600 0.070 0.000 1.030 250 S CA 1.617 59.862 58.200 0.075 0.000 1.003 250 S CB -0.369 62.716 63.200 -0.193 0.000 0.813 250 S HN 0.731 nan 8.310 nan 0.000 0.477 251 G N 0.912 109.750 108.800 0.064 0.000 2.448 251 G HA2 -0.055 3.899 3.960 -0.010 0.000 0.218 251 G HA3 -0.055 3.899 3.960 -0.010 0.000 0.218 251 G C 1.440 176.299 174.900 -0.069 0.000 1.135 251 G CA 1.482 46.577 45.100 -0.009 0.000 0.784 251 G HN 0.646 nan 8.290 nan 0.000 0.543 252 T N -3.016 111.511 114.554 -0.045 0.000 3.397 252 T HA 0.095 4.439 4.350 -0.010 0.000 0.233 252 T C 1.967 176.510 174.700 -0.261 0.000 0.969 252 T CA 0.252 62.213 62.100 -0.232 0.000 1.316 252 T CB -0.407 68.227 68.868 -0.390 0.000 1.175 252 T HN 0.053 nan 8.240 nan 0.000 0.381 253 Y N 2.487 122.648 120.300 -0.231 0.000 2.181 253 Y HA 0.042 4.586 4.550 -0.011 0.000 0.284 253 Y C 2.926 178.714 175.900 -0.187 0.000 1.179 253 Y CA 1.424 59.429 58.100 -0.159 0.000 1.179 253 Y CB -0.999 37.359 38.460 -0.170 0.000 0.973 253 Y HN 0.492 nan 8.280 nan 0.000 0.519 254 G N -0.935 107.745 108.800 -0.200 0.000 2.408 254 G HA2 -0.252 3.702 3.960 -0.010 0.000 0.217 254 G HA3 -0.252 3.702 3.960 -0.010 0.000 0.217 254 G C 1.605 176.334 174.900 -0.285 0.000 1.150 254 G CA 0.797 45.504 45.100 -0.655 0.000 0.776 254 G HN 0.297 nan 8.290 nan 0.000 0.542 255 Q N 0.636 120.306 119.800 -0.216 0.000 2.079 255 Q HA -0.059 4.275 4.340 -0.010 0.000 0.200 255 Q C 2.751 178.625 176.000 -0.210 0.000 0.974 255 Q CA 1.378 57.016 55.803 -0.274 0.000 0.840 255 Q CB -0.477 28.142 28.738 -0.198 0.000 0.898 255 Q HN 0.318 nan 8.270 nan 0.000 0.430 256 V N 1.465 121.295 119.914 -0.140 0.000 2.287 256 V HA -0.302 3.812 4.120 -0.010 0.000 0.248 256 V C 2.622 178.688 176.094 -0.046 0.000 1.053 256 V CA 2.164 64.424 62.300 -0.067 0.000 1.027 256 V CB -0.662 31.151 31.823 -0.017 0.000 0.646 256 V HN 0.419 nan 8.190 nan 0.000 0.447 257 M N -0.991 118.581 119.600 -0.047 0.000 2.117 257 M HA -0.171 4.303 4.480 -0.010 0.000 0.262 257 M C 2.077 178.325 176.300 -0.086 0.000 1.065 257 M CA 1.900 57.194 55.300 -0.011 0.000 1.114 257 M CB -0.103 32.516 32.600 0.031 0.000 1.361 257 M HN 0.358 nan 8.290 nan 0.000 0.408 258 L N 0.543 121.648 121.223 -0.197 0.000 2.072 258 L HA -0.186 4.148 4.340 -0.010 0.000 0.205 258 L C 1.876 178.610 176.870 -0.227 0.000 1.079 258 L CA 2.191 56.869 54.840 -0.270 0.000 0.752 258 L CB -0.690 41.034 42.059 -0.558 0.000 0.906 258 L HN 0.361 nan 8.230 nan 0.000 0.436 259 D N -1.061 119.222 120.400 -0.196 0.000 2.092 259 D HA -0.170 4.464 4.640 -0.010 0.000 0.193 259 D C 2.136 178.374 176.300 -0.104 0.000 0.994 259 D CA 1.595 55.509 54.000 -0.143 0.000 0.828 259 D CB -0.481 40.249 40.800 -0.116 0.000 0.963 259 D HN 0.337 nan 8.370 nan 0.000 0.450 260 G N -0.080 108.676 108.800 -0.072 0.000 2.422 260 G HA2 -0.147 3.807 3.960 -0.010 0.000 0.218 260 G HA3 -0.147 3.807 3.960 -0.010 0.000 0.218 260 G C 1.815 176.652 174.900 -0.105 0.000 1.140 260 G CA 0.546 45.629 45.100 -0.029 0.000 0.775 260 G HN 0.344 nan 8.290 nan 0.000 0.545 261 L N 0.575 121.666 121.223 -0.220 0.000 2.044 261 L HA 0.062 4.396 4.340 -0.010 0.000 0.205 261 L C 3.195 179.596 176.870 -0.782 0.000 1.075 261 L CA 1.026 55.542 54.840 -0.541 0.000 0.747 261 L CB -0.695 41.055 42.059 -0.515 0.000 0.903 261 L HN 0.307 nan 8.230 nan 0.000 0.435 262 G N -0.178 108.368 108.800 -0.423 0.000 2.446 262 G HA2 -0.270 3.684 3.960 -0.010 0.000 0.217 262 G HA3 -0.270 3.684 3.960 -0.010 0.000 0.217 262 G C 1.699 176.561 174.900 -0.063 0.000 1.168 262 G CA 0.651 45.634 45.100 -0.195 0.000 0.771 262 G HN 0.258 nan 8.290 nan 0.000 0.551 263 R N -0.278 120.198 120.500 -0.040 0.000 2.096 263 R HA 0.006 4.340 4.340 -0.010 0.000 0.240 263 R C 2.642 179.083 176.300 0.235 0.000 1.139 263 R CA 1.254 57.404 56.100 0.082 0.000 0.952 263 R CB -0.458 29.918 30.300 0.127 0.000 0.854 263 R HN 0.343 nan 8.270 nan 0.000 0.436 264 L N -0.687 120.628 121.223 0.154 0.000 2.179 264 L HA -0.083 4.250 4.340 -0.010 0.000 0.208 264 L C 2.041 179.104 176.870 0.321 0.000 1.096 264 L CA 0.555 55.524 54.840 0.215 0.000 0.779 264 L CB -0.273 41.868 42.059 0.137 0.000 0.922 264 L HN 0.090 nan 8.230 nan 0.000 0.443 265 F N 0.386 120.420 119.950 0.141 0.000 2.102 265 F HA -0.166 4.354 4.527 -0.011 0.000 0.298 265 F C 2.725 178.587 175.800 0.103 0.000 1.105 265 F CA 1.267 59.333 58.000 0.109 0.000 1.239 265 F CB -1.566 37.482 39.000 0.080 0.000 0.991 265 F HN 0.023 nan 8.300 nan 0.000 0.474 266 T N 1.012 115.748 114.554 0.303 0.000 2.777 266 T HA -0.154 4.190 4.350 -0.010 0.000 0.266 266 T C 2.089 176.909 174.700 0.200 0.000 1.040 266 T CA 1.128 63.348 62.100 0.200 0.000 1.141 266 T CB -0.635 68.315 68.868 0.137 0.000 0.868 266 T HN 0.123 nan 8.240 nan 0.000 0.444 267 L N 1.204 122.581 121.223 0.257 0.000 1.970 267 L HA -0.001 4.333 4.340 -0.010 0.000 0.212 267 L C 1.993 178.991 176.870 0.213 0.000 1.071 267 L CA 1.845 56.853 54.840 0.280 0.000 0.751 267 L CB -0.668 41.611 42.059 0.367 0.000 0.889 267 L HN 0.246 nan 8.230 nan 0.000 0.432 268 L N -0.055 121.298 121.223 0.216 0.000 2.492 268 L HA 0.183 4.517 4.340 -0.010 0.000 0.223 268 L C 1.282 178.248 176.870 0.159 0.000 1.132 268 L CA 0.080 55.044 54.840 0.207 0.000 0.850 268 L CB -0.851 41.348 42.059 0.233 0.000 0.966 268 L HN 0.296 nan 8.230 nan 0.000 0.454 269 A N 0.489 123.390 122.820 0.136 0.000 2.546 269 A HA 0.371 4.685 4.320 -0.010 0.000 0.243 269 A C 1.457 179.073 177.584 0.054 0.000 1.063 269 A CA 0.752 52.836 52.037 0.078 0.000 0.757 269 A CB -0.240 18.802 19.000 0.069 0.000 0.991 269 A HN 0.563 nan 8.150 nan 0.000 0.503 270 G N 1.433 110.245 108.800 0.020 0.000 2.225 270 G HA2 -0.213 3.741 3.960 -0.010 0.000 0.254 270 G HA3 -0.213 3.741 3.960 -0.010 0.000 0.254 270 G C 0.718 175.610 174.900 -0.013 0.000 0.988 270 G CA 1.089 46.188 45.100 -0.001 0.000 0.625 270 G HN 2.159 nan 8.290 nan 0.000 0.527 271 S N -0.718 114.992 115.700 0.017 0.000 2.713 271 S HA 0.638 5.102 4.470 -0.010 0.000 0.277 271 S C 0.973 175.481 174.600 -0.154 0.000 1.168 271 S CA 0.380 58.573 58.200 -0.012 0.000 0.994 271 S CB 1.757 65.057 63.200 0.167 0.000 1.054 271 S HN 0.124 nan 8.310 nan 0.000 0.555 272 E N -0.272 119.657 120.200 -0.452 0.000 2.401 272 E HA -0.057 4.287 4.350 -0.010 0.000 0.199 272 E C -0.132 175.975 176.600 -0.822 0.000 1.023 272 E CA 0.862 56.748 56.400 -0.856 0.000 0.859 272 E CB 0.065 28.818 29.700 -1.579 0.000 0.780 272 E HN 0.748 nan 8.360 nan 0.000 0.523 273 W N 1.513 122.805 121.300 -0.013 0.000 2.771 273 W HA 0.211 4.865 4.660 -0.011 0.000 0.412 273 W C 0.318 176.852 176.519 0.024 0.000 0.965 273 W CA -0.672 56.678 57.345 0.009 0.000 2.045 273 W CB -0.286 29.183 29.460 0.016 0.000 1.176 273 W HN 0.004 nan 8.180 nan 0.000 0.634 274 E N 1.414 121.698 120.200 0.139 0.000 2.467 274 E HA 0.079 4.423 4.350 -0.010 0.000 0.264 274 E C -0.118 176.533 176.600 0.085 0.000 1.020 274 E CA 0.306 56.764 56.400 0.098 0.000 0.945 274 E CB 1.183 30.893 29.700 0.018 0.000 0.942 274 E HN -0.223 nan 8.360 nan 0.000 0.449 275 V N 4.922 124.877 119.914 0.068 0.000 2.427 275 V HA 0.046 4.159 4.120 -0.010 0.000 0.268 275 V C 1.192 177.233 176.094 -0.090 0.000 1.046 275 V CA 0.658 62.978 62.300 0.034 0.000 0.970 275 V CB 0.689 32.532 31.823 0.033 0.000 1.001 275 V HN 0.953 nan 8.190 nan 0.000 0.476 276 T N -0.237 114.295 114.554 -0.037 0.000 2.969 276 T HA 0.069 4.413 4.350 -0.010 0.000 0.250 276 T C 0.665 175.325 174.700 -0.066 0.000 1.021 276 T CA -0.256 61.802 62.100 -0.069 0.000 1.003 276 T CB 0.017 68.861 68.868 -0.040 0.000 1.040 276 T HN 0.518 nan 8.240 nan 0.000 0.492 277 D N 4.089 124.490 120.400 0.002 0.000 2.793 277 D HA -0.006 4.628 4.640 -0.010 0.000 0.230 277 D C -1.462 174.778 176.300 -0.100 0.000 1.139 277 D CA -1.033 52.989 54.000 0.035 0.000 0.838 277 D CB 1.347 42.310 40.800 0.272 0.000 1.149 277 D HN 0.138 nan 8.370 nan 0.000 0.526 278 P HA 0.001 nan 4.420 nan 0.000 0.226 278 P C 1.330 178.540 177.300 -0.150 0.000 1.153 278 P CA 0.647 63.676 63.100 -0.120 0.000 0.777 278 P CB 0.120 31.777 31.700 -0.071 0.000 0.794 279 G N 1.076 109.817 108.800 -0.099 0.000 2.499 279 G HA2 -0.308 3.646 3.960 -0.010 0.000 0.221 279 G HA3 -0.308 3.646 3.960 -0.010 0.000 0.221 279 G C 1.669 176.299 174.900 -0.449 0.000 1.109 279 G CA 0.609 45.645 45.100 -0.106 0.000 0.749 279 G HN 0.299 nan 8.290 nan 0.000 0.568 280 R N 0.041 120.040 120.500 -0.835 0.000 2.133 280 R HA -0.232 4.102 4.340 -0.010 0.000 0.247 280 R C 2.375 178.436 176.300 -0.398 0.000 1.151 280 R CA 2.059 57.572 56.100 -0.979 0.000 0.971 280 R CB -0.361 29.359 30.300 -0.967 0.000 0.866 280 R HN 0.390 nan 8.270 nan 0.000 0.447 281 Q N 0.985 120.628 119.800 -0.261 0.000 2.181 281 Q HA -0.121 4.212 4.340 -0.010 0.000 0.205 281 Q C 2.092 178.079 176.000 -0.022 0.000 0.980 281 Q CA 1.834 57.577 55.803 -0.099 0.000 0.862 281 Q CB -0.307 28.381 28.738 -0.083 0.000 0.905 281 Q HN 0.574 nan 8.270 nan 0.000 0.429 282 L N -1.047 120.128 121.223 -0.080 0.000 2.079 282 L HA -0.180 4.154 4.340 -0.010 0.000 0.210 282 L C 2.219 179.161 176.870 0.121 0.000 1.081 282 L CA 0.911 55.724 54.840 -0.046 0.000 0.752 282 L CB -0.582 41.297 42.059 -0.299 0.000 0.896 282 L HN 0.113 nan 8.230 nan 0.000 0.433 283 V N 0.101 120.089 119.914 0.123 0.000 2.358 283 V HA -0.255 3.859 4.120 -0.010 0.000 0.246 283 V C 2.400 178.641 176.094 0.246 0.000 1.047 283 V CA 1.511 63.952 62.300 0.235 0.000 1.035 283 V CB -0.372 31.619 31.823 0.279 0.000 0.658 283 V HN 0.345 nan 8.190 nan 0.000 0.452 284 L N -0.226 121.152 121.223 0.257 0.000 2.046 284 L HA -0.184 4.150 4.340 -0.010 0.000 0.208 284 L C 2.386 179.488 176.870 0.385 0.000 1.077 284 L CA 1.593 56.672 54.840 0.398 0.000 0.747 284 L CB -0.908 41.387 42.059 0.393 0.000 0.896 284 L HN 0.310 nan 8.230 nan 0.000 0.432 285 D N -0.027 120.549 120.400 0.293 0.000 2.149 285 D HA -0.172 4.462 4.640 -0.010 0.000 0.198 285 D C 2.390 178.878 176.300 0.313 0.000 0.990 285 D CA 1.735 55.906 54.000 0.286 0.000 0.839 285 D CB -0.131 40.809 40.800 0.233 0.000 0.948 285 D HN 0.354 nan 8.370 nan 0.000 0.460 286 S N -0.138 115.755 115.700 0.323 0.000 2.474 286 S HA -0.083 4.380 4.470 -0.010 0.000 0.235 286 S C 2.110 176.888 174.600 0.297 0.000 0.997 286 S CA 0.480 58.884 58.200 0.341 0.000 0.949 286 S CB -0.352 63.073 63.200 0.376 0.000 0.766 286 S HN 0.065 nan 8.310 nan 0.000 0.517 287 V N 2.003 121.998 119.914 0.134 0.000 2.255 287 V HA -0.171 3.942 4.120 -0.010 0.000 0.247 287 V C 2.774 178.869 176.094 0.002 0.000 1.051 287 V CA 2.349 64.575 62.300 -0.123 0.000 1.018 287 V CB -0.646 30.569 31.823 -1.013 0.000 0.641 287 V HN 0.595 nan 8.190 nan 0.000 0.445 288 E N -1.448 118.798 120.200 0.076 0.000 2.250 288 E HA -0.122 4.222 4.350 -0.010 0.000 0.192 288 E C 2.072 178.799 176.600 0.211 0.000 0.986 288 E CA 0.740 57.238 56.400 0.163 0.000 0.849 288 E CB 0.055 29.896 29.700 0.236 0.000 0.797 288 E HN 0.716 nan 8.360 nan 0.000 0.482 289 H N -0.289 118.861 119.070 0.134 0.000 2.486 289 H HA 0.225 4.774 4.556 -0.011 0.000 0.287 289 H C 1.473 176.864 175.328 0.104 0.000 1.010 289 H CA 1.274 57.410 56.048 0.146 0.000 1.324 289 H CB 0.393 30.264 29.762 0.182 0.000 1.446 289 H HN 0.111 nan 8.280 nan 0.000 0.537 290 A N -1.027 121.799 122.820 0.010 0.000 1.970 290 A HA 0.126 4.439 4.320 -0.010 0.000 0.204 290 A C 1.484 178.853 177.584 -0.359 0.000 1.325 290 A CA 0.271 52.180 52.037 -0.213 0.000 0.767 290 A CB -0.442 18.329 19.000 -0.383 0.000 0.949 290 A HN 0.371 nan 8.150 nan 0.000 0.481 291 Y N -0.412 119.841 120.300 -0.077 0.000 2.301 291 Y HA 0.297 4.840 4.550 -0.011 0.000 0.295 291 Y C 2.902 178.732 175.900 -0.117 0.000 1.126 291 Y CA 0.514 58.525 58.100 -0.149 0.000 1.154 291 Y CB -0.539 37.811 38.460 -0.184 0.000 1.075 291 Y HN 0.263 nan 8.280 nan 0.000 0.534 292 A N 0.962 123.875 122.820 0.155 0.000 1.917 292 A HA -0.177 4.137 4.320 -0.010 0.000 0.219 292 A C -0.302 177.399 177.584 0.194 0.000 1.182 292 A CA 1.965 54.156 52.037 0.258 0.000 0.633 292 A CB -1.896 17.314 19.000 0.350 0.000 0.819 292 A HN 0.297 nan 8.150 nan 0.000 0.448 293 P HA -0.067 nan 4.420 nan 0.000 0.225 293 P C 0.943 178.285 177.300 0.069 0.000 1.148 293 P CA 0.792 63.946 63.100 0.090 0.000 0.779 293 P CB -0.084 31.621 31.700 0.007 0.000 0.780 294 L N -1.819 119.394 121.223 -0.015 0.000 2.592 294 L HA 0.146 4.480 4.340 -0.010 0.000 0.227 294 L C 0.880 177.661 176.870 -0.149 0.000 1.127 294 L CA -0.020 54.770 54.840 -0.085 0.000 0.884 294 L CB -0.183 41.764 42.059 -0.186 0.000 1.065 294 L HN -0.115 nan 8.230 nan 0.000 0.457 295 I N -0.574 119.882 120.570 -0.189 0.000 2.315 295 I HA 0.154 4.318 4.170 -0.010 0.000 0.291 295 I C -0.404 175.588 176.117 -0.210 0.000 1.006 295 I CA -0.452 60.593 61.300 -0.425 0.000 1.265 295 I CB 0.872 38.228 38.000 -1.074 0.000 1.387 295 I HN -0.020 nan 8.210 nan 0.000 0.475 296 H N 6.053 124.877 119.070 -0.411 0.000 2.708 296 H HA 0.247 4.796 4.556 -0.011 0.000 0.320 296 H C -0.561 174.612 175.328 -0.258 0.000 0.991 296 H CA -0.720 55.154 56.048 -0.289 0.000 1.243 296 H CB 0.636 30.087 29.762 -0.519 0.000 1.446 296 H HN 0.556 nan 8.280 nan 0.000 0.502 297 D N 4.226 124.412 120.400 -0.357 0.000 2.737 297 D HA -0.192 4.442 4.640 -0.010 0.000 0.233 297 D C 1.287 177.511 176.300 -0.126 0.000 1.155 297 D CA 2.092 55.956 54.000 -0.226 0.000 0.667 297 D CB -1.279 39.225 40.800 -0.494 0.000 1.060 297 D HN 1.091 nan 8.370 nan 0.000 0.427 298 G N -1.789 106.859 108.800 -0.253 0.000 2.258 298 G HA2 -0.255 3.699 3.960 -0.010 0.000 0.233 298 G HA3 -0.255 3.699 3.960 -0.010 0.000 0.233 298 G C 0.289 174.914 174.900 -0.458 0.000 1.006 298 G CA 0.238 45.185 45.100 -0.255 0.000 0.620 298 G HN 0.785 nan 8.290 nan 0.000 0.511 299 L N 0.002 120.784 121.223 -0.735 0.000 2.375 299 L HA 0.918 5.252 4.340 -0.010 0.000 0.271 299 L C 0.470 177.065 176.870 -0.457 0.000 1.107 299 L CA -1.231 53.181 54.840 -0.714 0.000 0.806 299 L CB 1.770 43.290 42.059 -0.899 0.000 1.146 299 L HN 0.335 nan 8.230 nan 0.000 0.447 300 V N 4.746 124.493 119.914 -0.279 0.000 2.435 300 V HA 0.441 4.554 4.120 -0.010 0.000 0.290 300 V C 0.389 176.429 176.094 -0.091 0.000 1.030 300 V CA -0.721 61.457 62.300 -0.204 0.000 0.881 300 V CB 1.594 33.320 31.823 -0.162 0.000 0.983 300 V HN 0.907 nan 8.190 nan 0.000 0.445 301 M N 4.863 124.421 119.600 -0.070 0.000 2.248 301 M HA 0.110 4.584 4.480 -0.010 0.000 0.345 301 M C 0.855 177.196 176.300 0.068 0.000 1.243 301 M CA 0.041 55.378 55.300 0.061 0.000 1.090 301 M CB 0.152 32.819 32.600 0.111 0.000 1.683 301 M HN 0.622 nan 8.290 nan 0.000 0.450 302 D N 1.343 121.821 120.400 0.130 0.000 2.309 302 D HA -0.110 4.524 4.640 -0.010 0.000 0.212 302 D C 1.926 178.221 176.300 -0.009 0.000 0.968 302 D CA 1.636 55.685 54.000 0.081 0.000 0.882 302 D CB -0.121 40.800 40.800 0.202 0.000 0.918 302 D HN 0.772 nan 8.370 nan 0.000 0.503 303 T N -1.618 112.940 114.554 0.007 0.000 2.977 303 T HA -0.098 4.246 4.350 -0.010 0.000 0.271 303 T C 1.656 176.317 174.700 -0.064 0.000 1.105 303 T CA 0.994 63.083 62.100 -0.020 0.000 1.116 303 T CB -0.261 68.610 68.868 0.006 0.000 0.878 303 T HN 0.117 nan 8.240 nan 0.000 0.509 304 V N -2.102 117.773 119.914 -0.066 0.000 3.085 304 V HA 0.520 4.634 4.120 -0.010 0.000 0.345 304 V C 0.662 176.736 176.094 -0.032 0.000 1.397 304 V CA -0.664 61.587 62.300 -0.081 0.000 1.165 304 V CB -0.428 31.332 31.823 -0.106 0.000 1.153 304 V HN 0.138 nan 8.190 nan 0.000 0.495 305 N N 1.522 120.183 118.700 -0.065 0.000 2.205 305 N HA 0.328 5.061 4.740 -0.010 0.000 0.201 305 N C 1.431 176.935 175.510 -0.010 0.000 1.128 305 N CA 0.895 53.918 53.050 -0.045 0.000 0.867 305 N CB 1.236 39.657 38.487 -0.109 0.000 0.996 305 N HN 0.716 nan 8.380 nan 0.000 0.503 306 G N 2.756 111.427 108.800 -0.216 0.000 2.627 306 G HA2 -0.430 3.524 3.960 -0.010 0.000 0.312 306 G HA3 -0.430 3.524 3.960 -0.010 0.000 0.312 306 G C 0.934 175.803 174.900 -0.051 0.000 1.299 306 G CA 0.921 45.840 45.100 -0.301 0.000 0.989 306 G HN 0.515 nan 8.290 nan 0.000 0.547 307 R N 0.608 121.173 120.500 0.109 0.000 2.237 307 R HA 0.348 4.682 4.340 -0.010 0.000 0.219 307 R C 2.602 178.904 176.300 0.003 0.000 1.080 307 R CA 1.900 58.024 56.100 0.040 0.000 0.995 307 R CB -0.437 29.901 30.300 0.063 0.000 0.875 307 R HN 1.024 nan 8.270 nan 0.000 0.462 308 A N 2.719 125.550 122.820 0.018 0.000 2.121 308 A HA -0.044 4.270 4.320 -0.010 0.000 0.218 308 A C 2.206 179.790 177.584 -0.000 0.000 1.154 308 A CA 1.028 53.046 52.037 -0.032 0.000 0.679 308 A CB -0.650 18.248 19.000 -0.169 0.000 0.795 308 A HN 0.619 nan 8.150 nan 0.000 0.458 309 I N -1.665 118.858 120.570 -0.079 0.000 2.700 309 I HA -0.144 4.020 4.170 -0.010 0.000 0.261 309 I C 1.777 177.916 176.117 0.036 0.000 1.219 309 I CA 1.756 62.962 61.300 -0.157 0.000 1.463 309 I CB -0.346 37.247 38.000 -0.677 0.000 1.092 309 I HN 0.298 nan 8.210 nan 0.000 0.452 310 S N 0.289 116.037 115.700 0.081 0.000 2.575 310 S HA 0.218 4.681 4.470 -0.010 0.000 0.215 310 S C 1.735 176.501 174.600 0.276 0.000 0.966 310 S CA -0.521 57.847 58.200 0.279 0.000 0.911 310 S CB -0.125 63.136 63.200 0.100 0.000 0.780 310 S HN 0.522 nan 8.310 nan 0.000 0.514 311 R N 1.330 121.816 120.500 -0.024 0.000 2.052 311 R HA 0.259 4.592 4.340 -0.010 0.000 0.226 311 R C 2.140 177.949 176.300 -0.818 0.000 1.145 311 R CA 0.777 56.706 56.100 -0.286 0.000 0.952 311 R CB -1.189 28.935 30.300 -0.294 0.000 0.847 311 R HN 0.507 nan 8.270 nan 0.000 0.431 312 G N 0.883 108.709 108.800 -1.623 0.000 2.660 312 G HA2 -0.362 3.592 3.960 -0.010 0.000 0.321 312 G HA3 -0.362 3.592 3.960 -0.010 0.000 0.321 312 G C -0.545 173.421 174.900 -1.557 0.000 1.246 312 G CA 0.635 44.120 45.100 -2.691 0.000 1.000 312 G HN 0.348 nan 8.290 nan 0.000 0.550 313 Y N 1.254 120.805 120.300 -1.249 0.000 2.404 313 Y HA 0.570 5.114 4.550 -0.010 0.000 0.344 313 Y C 1.051 176.752 175.900 -0.332 0.000 0.995 313 Y CA -0.396 57.353 58.100 -0.585 0.000 1.201 313 Y CB 0.638 38.918 38.460 -0.300 0.000 1.151 313 Y HN 0.441 nan 8.280 nan 0.000 0.517 314 L N 4.600 125.763 121.223 -0.101 0.000 2.326 314 L HA 0.245 4.579 4.340 -0.010 0.000 0.278 314 L C 1.409 178.316 176.870 0.061 0.000 1.092 314 L CA -0.460 54.352 54.840 -0.045 0.000 0.810 314 L CB 1.006 43.009 42.059 -0.093 0.000 1.153 314 L HN 0.634 nan 8.230 nan 0.000 0.439 315 K N 0.804 121.240 120.400 0.060 0.000 2.113 315 K HA -0.140 4.174 4.320 -0.010 0.000 0.208 315 K C 1.426 178.076 176.600 0.084 0.000 1.047 315 K CA 1.411 57.739 56.287 0.069 0.000 0.928 315 K CB -0.068 32.453 32.500 0.036 0.000 0.716 315 K HN 0.504 nan 8.250 nan 0.000 0.446 316 S N 0.919 116.669 115.700 0.083 0.000 2.671 316 S HA -0.041 4.423 4.470 -0.010 0.000 0.220 316 S C -0.237 174.511 174.600 0.247 0.000 0.951 316 S CA -0.019 58.276 58.200 0.158 0.000 0.932 316 S CB -0.136 63.157 63.200 0.156 0.000 0.777 316 S HN 0.242 nan 8.310 nan 0.000 0.508 317 D N 1.088 121.584 120.400 0.160 0.000 2.427 317 D HA 0.182 4.816 4.640 -0.010 0.000 0.226 317 D C 0.290 176.678 176.300 0.147 0.000 1.076 317 D CA -0.460 53.614 54.000 0.124 0.000 0.849 317 D CB 0.690 41.524 40.800 0.057 0.000 1.052 317 D HN -0.169 nan 8.370 nan 0.000 0.515 318 D N 3.098 123.570 120.400 0.121 0.000 2.348 318 D HA -0.049 4.584 4.640 -0.010 0.000 0.216 318 D C 1.704 178.071 176.300 0.111 0.000 0.970 318 D CA 0.508 54.580 54.000 0.120 0.000 0.889 318 D CB 0.454 41.327 40.800 0.120 0.000 0.912 318 D HN 0.521 nan 8.370 nan 0.000 0.524 319 L N -0.619 120.671 121.223 0.111 0.000 2.418 319 L HA 0.001 4.335 4.340 -0.010 0.000 0.218 319 L C 0.388 177.370 176.870 0.187 0.000 1.125 319 L CA 0.066 54.975 54.840 0.115 0.000 0.835 319 L CB -0.376 41.738 42.059 0.091 0.000 0.953 319 L HN 0.082 nan 8.230 nan 0.000 0.454 320 H N -0.229 118.884 119.070 0.073 0.000 2.677 320 H HA -0.135 4.415 4.556 -0.010 0.000 0.321 320 H C -1.024 174.453 175.328 0.248 0.000 1.171 320 H CA -0.126 55.999 56.048 0.129 0.000 1.139 320 H CB -1.558 28.225 29.762 0.034 0.000 1.515 320 H HN -0.036 nan 8.280 nan 0.000 0.423 321 V N 2.585 122.526 119.914 0.044 0.000 2.398 321 V HA 0.182 4.296 4.120 -0.010 0.000 0.286 321 V C 1.133 176.960 176.094 -0.445 0.000 1.026 321 V CA -0.465 61.781 62.300 -0.089 0.000 0.868 321 V CB 1.552 33.361 31.823 -0.024 0.000 0.982 321 V HN 0.509 nan 8.190 nan 0.000 0.443 322 M N 4.665 123.852 119.600 -0.688 0.000 2.268 322 M HA 0.246 4.719 4.480 -0.010 0.000 0.349 322 M C 0.339 176.089 176.300 -0.917 0.000 1.485 322 M CA -0.111 54.488 55.300 -1.167 0.000 1.094 322 M CB 0.136 32.033 32.600 -1.172 0.000 1.843 322 M HN 0.586 nan 8.290 nan 0.000 0.460 323 R N 2.453 122.277 120.500 -1.127 0.000 2.539 323 R HA 0.498 4.832 4.340 -0.010 0.000 0.275 323 R C -0.521 175.386 176.300 -0.656 0.000 1.077 323 R CA 0.141 55.563 56.100 -1.130 0.000 1.097 323 R CB 0.919 30.594 30.300 -1.041 0.000 1.018 323 R HN 0.853 nan 8.270 nan 0.000 0.483 324 S N -0.636 114.826 115.700 -0.396 0.000 2.688 324 S HA 0.063 4.527 4.470 -0.010 0.000 0.266 324 S C -0.147 174.529 174.600 0.127 0.000 1.061 324 S CA -0.413 57.785 58.200 -0.004 0.000 0.844 324 S CB 0.368 63.601 63.200 0.054 0.000 1.103 324 S HN 0.554 nan 8.310 nan 0.000 0.471 325 D N 0.477 121.034 120.400 0.261 0.000 2.149 325 D HA -0.208 4.426 4.640 -0.010 0.000 0.198 325 D C 1.372 177.688 176.300 0.027 0.000 0.990 325 D CA 1.901 56.016 54.000 0.190 0.000 0.839 325 D CB -0.889 40.032 40.800 0.202 0.000 0.948 325 D HN 0.671 nan 8.370 nan 0.000 0.460 326 H N -1.016 118.084 119.070 0.050 0.000 2.395 326 H HA -0.025 4.524 4.556 -0.011 0.000 0.299 326 H C 1.891 177.169 175.328 -0.083 0.000 1.070 326 H CA 1.166 57.195 56.048 -0.032 0.000 1.356 326 H CB -0.411 29.337 29.762 -0.023 0.000 1.401 326 H HN 0.262 nan 8.280 nan 0.000 0.524 327 F N 1.561 121.424 119.950 -0.144 0.000 2.102 327 F HA -0.234 4.287 4.527 -0.009 0.000 0.298 327 F C 2.603 178.236 175.800 -0.279 0.000 1.105 327 F CA 1.461 59.282 58.000 -0.297 0.000 1.239 327 F CB -0.186 38.539 39.000 -0.460 0.000 0.991 327 F HN 0.139 nan 8.300 nan 0.000 0.474 328 H N -0.157 118.963 119.070 0.084 0.000 2.357 328 H HA -0.021 4.528 4.556 -0.011 0.000 0.301 328 H C 2.540 177.758 175.328 -0.184 0.000 1.082 328 H CA 1.250 57.272 56.048 -0.043 0.000 1.342 328 H CB -1.232 28.550 29.762 0.033 0.000 1.389 328 H HN 0.457 nan 8.280 nan 0.000 0.511 329 G N 0.640 109.386 108.800 -0.089 0.000 2.418 329 G HA2 -0.253 3.701 3.960 -0.010 0.000 0.217 329 G HA3 -0.253 3.701 3.960 -0.010 0.000 0.217 329 G C 1.645 176.407 174.900 -0.230 0.000 1.158 329 G CA 0.523 45.486 45.100 -0.229 0.000 0.771 329 G HN 0.413 nan 8.290 nan 0.000 0.545 330 Q N -0.388 119.293 119.800 -0.199 0.000 2.135 330 Q HA -0.133 4.201 4.340 -0.010 0.000 0.204 330 Q C 2.800 178.785 176.000 -0.026 0.000 0.981 330 Q CA 1.192 56.929 55.803 -0.111 0.000 0.856 330 Q CB -0.107 28.477 28.738 -0.258 0.000 0.902 330 Q HN 0.403 nan 8.270 nan 0.000 0.425 331 Q N 0.225 119.894 119.800 -0.218 0.000 2.119 331 Q HA -0.127 4.207 4.340 -0.010 0.000 0.201 331 Q C 2.110 178.026 176.000 -0.140 0.000 0.972 331 Q CA 0.848 56.556 55.803 -0.158 0.000 0.847 331 Q CB -0.280 28.300 28.738 -0.264 0.000 0.903 331 Q HN 0.287 nan 8.270 nan 0.000 0.433 332 L N 0.346 121.459 121.223 -0.183 0.000 2.109 332 L HA -0.014 4.320 4.340 -0.010 0.000 0.207 332 L C 2.039 178.770 176.870 -0.233 0.000 1.086 332 L CA 1.130 55.823 54.840 -0.245 0.000 0.760 332 L CB -0.441 41.456 42.059 -0.269 0.000 0.910 332 L HN 0.071 nan 8.230 nan 0.000 0.437 333 I N -0.200 120.259 120.570 -0.184 0.000 2.208 333 I HA -0.326 3.838 4.170 -0.010 0.000 0.245 333 I C 2.582 178.652 176.117 -0.079 0.000 1.097 333 I CA 1.290 62.535 61.300 -0.092 0.000 1.363 333 I CB -0.620 37.365 38.000 -0.025 0.000 1.051 333 I HN 0.364 nan 8.210 nan 0.000 0.413 334 A N 0.644 123.403 122.820 -0.101 0.000 1.902 334 A HA -0.176 4.138 4.320 -0.010 0.000 0.217 334 A C 2.537 180.028 177.584 -0.155 0.000 1.181 334 A CA 1.863 53.785 52.037 -0.192 0.000 0.623 334 A CB -0.847 17.991 19.000 -0.270 0.000 0.818 334 A HN 0.442 nan 8.150 nan 0.000 0.443 335 A N -0.558 122.166 122.820 -0.160 0.000 1.933 335 A HA -0.121 4.192 4.320 -0.010 0.000 0.218 335 A C 2.224 179.714 177.584 -0.157 0.000 1.175 335 A CA 1.802 53.733 52.037 -0.177 0.000 0.628 335 A CB -0.550 18.304 19.000 -0.243 0.000 0.814 335 A HN 0.548 nan 8.150 nan 0.000 0.444 336 M N -0.578 118.925 119.600 -0.161 0.000 2.229 336 M HA -0.112 4.362 4.480 -0.010 0.000 0.264 336 M C 2.467 178.809 176.300 0.069 0.000 1.063 336 M CA 1.268 56.504 55.300 -0.106 0.000 1.114 336 M CB -0.364 32.175 32.600 -0.101 0.000 1.387 336 M HN 0.474 nan 8.290 nan 0.000 0.420 337 A N -0.058 122.783 122.820 0.036 0.000 1.898 337 A HA -0.085 4.229 4.320 -0.010 0.000 0.216 337 A C 2.244 179.874 177.584 0.077 0.000 1.181 337 A CA 1.500 53.583 52.037 0.076 0.000 0.620 337 A CB -0.901 18.083 19.000 -0.027 0.000 0.819 337 A HN 0.283 nan 8.150 nan 0.000 0.442 338 V N -0.328 119.591 119.914 0.008 0.000 2.295 338 V HA -0.230 3.884 4.120 -0.010 0.000 0.246 338 V C 2.468 178.615 176.094 0.088 0.000 1.049 338 V CA 1.901 64.211 62.300 0.016 0.000 1.024 338 V CB -0.834 30.964 31.823 -0.042 0.000 0.648 338 V HN 0.558 nan 8.190 nan 0.000 0.447 339 L N 0.847 122.130 121.223 0.100 0.000 2.129 339 L HA -0.159 4.175 4.340 -0.010 0.000 0.212 339 L C 2.406 179.498 176.870 0.371 0.000 1.087 339 L CA 2.234 57.200 54.840 0.210 0.000 0.757 339 L CB -0.815 41.329 42.059 0.142 0.000 0.896 339 L HN 0.262 nan 8.230 nan 0.000 0.434 340 A N -0.826 122.236 122.820 0.404 0.000 2.015 340 A HA -0.051 4.263 4.320 -0.010 0.000 0.219 340 A C 2.366 180.024 177.584 0.124 0.000 1.163 340 A CA 1.250 53.492 52.037 0.343 0.000 0.646 340 A CB -1.429 17.814 19.000 0.405 0.000 0.806 340 A HN 0.507 nan 8.150 nan 0.000 0.448 341 G N -0.439 108.446 108.800 0.143 0.000 2.475 341 G HA2 -0.023 3.931 3.960 -0.010 0.000 0.220 341 G HA3 -0.023 3.931 3.960 -0.010 0.000 0.220 341 G C 1.250 176.185 174.900 0.058 0.000 1.125 341 G CA 1.213 46.366 45.100 0.087 0.000 0.755 341 G HN 0.826 nan 8.290 nan 0.000 0.565 342 G N -0.421 108.436 108.800 0.094 0.000 3.233 342 G HA2 0.539 4.493 3.960 -0.010 0.000 0.234 342 G HA3 0.539 4.493 3.960 -0.010 0.000 0.234 342 G C 0.578 175.483 174.900 0.009 0.000 1.137 342 G CA 0.745 45.884 45.100 0.066 0.000 0.763 342 G HN 0.666 nan 8.290 nan 0.000 0.549 343 A N 0.653 123.442 122.820 -0.052 0.000 2.259 343 A HA 0.687 5.000 4.320 -0.010 0.000 0.278 343 A C 1.091 178.536 177.584 -0.231 0.000 1.107 343 A CA 0.273 52.187 52.037 -0.205 0.000 0.828 343 A CB 0.357 19.007 19.000 -0.582 0.000 1.111 343 A HN 0.781 nan 8.150 nan 0.000 0.498 344 S N 0.104 115.652 115.700 -0.255 0.000 2.608 344 S HA 0.070 4.534 4.470 -0.010 0.000 0.261 344 S C 0.805 175.243 174.600 -0.270 0.000 1.314 344 S CA -0.083 57.988 58.200 -0.214 0.000 0.992 344 S CB 0.256 63.352 63.200 -0.173 0.000 0.935 344 S HN 0.643 nan 8.310 nan 0.000 0.564 345 N N 1.252 119.831 118.700 -0.201 0.000 2.084 345 N HA -0.089 4.645 4.740 -0.010 0.000 0.190 345 N C 2.003 177.372 175.510 -0.235 0.000 1.030 345 N CA 1.714 54.645 53.050 -0.200 0.000 0.849 345 N CB -1.311 37.096 38.487 -0.132 0.000 1.012 345 N HN 0.806 nan 8.380 nan 0.000 0.423 346 A N 1.223 123.921 122.820 -0.204 0.000 1.898 346 A HA -0.127 4.186 4.320 -0.010 0.000 0.216 346 A C 2.142 179.556 177.584 -0.283 0.000 1.181 346 A CA 1.368 53.292 52.037 -0.188 0.000 0.620 346 A CB -0.488 18.435 19.000 -0.128 0.000 0.819 346 A HN 0.332 nan 8.150 nan 0.000 0.442 347 E N -0.781 119.176 120.200 -0.404 0.000 2.031 347 E HA -0.197 4.147 4.350 -0.010 0.000 0.193 347 E C 2.334 178.244 176.600 -1.150 0.000 0.994 347 E CA 1.200 57.152 56.400 -0.747 0.000 0.800 347 E CB -0.189 28.993 29.700 -0.864 0.000 0.752 347 E HN 0.562 nan 8.360 nan 0.000 0.447 348 R N 1.095 121.055 120.500 -0.901 0.000 2.091 348 R HA -0.229 4.105 4.340 -0.010 0.000 0.238 348 R C 2.256 178.165 176.300 -0.653 0.000 1.136 348 R CA 1.843 57.455 56.100 -0.814 0.000 0.959 348 R CB -0.092 29.830 30.300 -0.631 0.000 0.856 348 R HN 0.169 nan 8.270 nan 0.000 0.437 349 E N 0.096 120.041 120.200 -0.426 0.000 2.077 349 E HA -0.222 4.122 4.350 -0.010 0.000 0.193 349 E C 2.055 178.581 176.600 -0.123 0.000 0.989 349 E CA 1.298 57.560 56.400 -0.229 0.000 0.800 349 E CB 0.099 29.706 29.700 -0.155 0.000 0.746 349 E HN 0.335 nan 8.360 nan 0.000 0.452 350 R N -0.465 119.954 120.500 -0.136 0.000 2.066 350 R HA -0.126 4.208 4.340 -0.010 0.000 0.232 350 R C 2.202 178.617 176.300 0.192 0.000 1.131 350 R CA 1.604 57.719 56.100 0.026 0.000 0.955 350 R CB -0.350 30.000 30.300 0.083 0.000 0.851 350 R HN 0.323 nan 8.270 nan 0.000 0.432 351 W N 0.745 122.030 121.300 -0.025 0.000 2.335 351 W HA -0.120 4.537 4.660 -0.005 0.000 0.311 351 W C 2.057 178.634 176.519 0.098 0.000 1.213 351 W CA 0.793 58.161 57.345 0.038 0.000 1.274 351 W CB -1.438 28.063 29.460 0.068 0.000 1.148 351 W HN 0.340 nan 8.180 nan 0.000 0.498 352 H N -0.507 118.666 119.070 0.171 0.000 2.387 352 H HA -0.083 4.466 4.556 -0.011 0.000 0.299 352 H C 2.262 177.590 175.328 0.000 0.000 1.099 352 H CA 1.200 57.288 56.048 0.068 0.000 1.315 352 H CB -0.230 29.548 29.762 0.026 0.000 1.380 352 H HN 0.092 nan 8.280 nan 0.000 0.513 353 A N 1.292 124.177 122.820 0.109 0.000 1.930 353 A HA -0.149 4.165 4.320 -0.010 0.000 0.217 353 A C 2.307 179.809 177.584 -0.137 0.000 1.175 353 A CA 1.116 53.145 52.037 -0.013 0.000 0.627 353 A CB -0.257 18.730 19.000 -0.022 0.000 0.815 353 A HN 0.325 nan 8.150 nan 0.000 0.443 354 R N -0.639 119.743 120.500 -0.197 0.000 2.092 354 R HA 0.043 4.377 4.340 -0.010 0.000 0.231 354 R C 1.921 177.782 176.300 -0.732 0.000 1.119 354 R CA 1.410 57.142 56.100 -0.614 0.000 0.970 354 R CB -0.415 29.459 30.300 -0.710 0.000 0.864 354 R HN 0.546 nan 8.270 nan 0.000 0.440 355 I N 1.036 121.485 120.570 -0.203 0.000 2.252 355 I HA -0.254 3.910 4.170 -0.010 0.000 0.245 355 I C 2.002 178.125 176.117 0.008 0.000 1.102 355 I CA 1.352 62.701 61.300 0.082 0.000 1.385 355 I CB -0.145 37.965 38.000 0.184 0.000 1.064 355 I HN 0.081 nan 8.210 nan 0.000 0.414 356 K N 0.813 121.181 120.400 -0.054 0.000 2.113 356 K HA -0.159 4.155 4.320 -0.010 0.000 0.208 356 K C 2.163 178.717 176.600 -0.078 0.000 1.047 356 K CA 1.553 57.806 56.287 -0.056 0.000 0.928 356 K CB -0.563 31.904 32.500 -0.054 0.000 0.716 356 K HN 0.463 nan 8.250 nan 0.000 0.446 357 G N 0.819 109.509 108.800 -0.184 0.000 2.421 357 G HA2 -0.221 3.733 3.960 -0.010 0.000 0.216 357 G HA3 -0.221 3.733 3.960 -0.010 0.000 0.216 357 G C 0.977 175.807 174.900 -0.115 0.000 1.171 357 G CA 0.604 45.574 45.100 -0.216 0.000 0.775 357 G HN 0.251 nan 8.290 nan 0.000 0.543 358 W N 0.754 122.036 121.300 -0.029 0.000 2.363 358 W HA 0.084 4.740 4.660 -0.006 0.000 0.296 358 W C 2.524 179.019 176.519 -0.040 0.000 1.212 358 W CA 0.182 57.499 57.345 -0.047 0.000 1.260 358 W CB -0.966 28.466 29.460 -0.047 0.000 1.131 358 W HN 0.192 nan 8.180 nan 0.000 0.530 359 I N 0.169 120.840 120.570 0.169 0.000 2.226 359 I HA -0.278 3.886 4.170 -0.010 0.000 0.245 359 I C 2.299 178.438 176.117 0.038 0.000 1.100 359 I CA 1.473 62.818 61.300 0.075 0.000 1.374 359 I CB -0.496 37.514 38.000 0.017 0.000 1.057 359 I HN -0.039 nan 8.210 nan 0.000 0.413 360 E N 0.422 120.635 120.200 0.021 0.000 2.106 360 E HA -0.183 4.161 4.350 -0.010 0.000 0.192 360 E C 2.237 178.847 176.600 0.017 0.000 0.984 360 E CA 0.972 57.376 56.400 0.007 0.000 0.806 360 E CB 0.082 29.777 29.700 -0.009 0.000 0.750 360 E HN 0.425 nan 8.360 nan 0.000 0.458 361 R N 0.342 120.863 120.500 0.035 0.000 2.254 361 R HA 0.013 4.347 4.340 -0.010 0.000 0.195 361 R C 0.355 176.674 176.300 0.031 0.000 0.957 361 R CA 0.046 56.162 56.100 0.028 0.000 1.024 361 R CB 0.277 30.591 30.300 0.024 0.000 0.952 361 R HN -0.025 nan 8.270 nan 0.000 0.484 362 D N 1.636 122.069 120.400 0.056 0.000 2.416 362 D HA -0.031 4.603 4.640 -0.010 0.000 0.240 362 D C 0.677 176.973 176.300 -0.007 0.000 1.250 362 D CA 0.329 54.361 54.000 0.054 0.000 0.967 362 D CB 0.910 41.770 40.800 0.100 0.000 1.059 362 D HN 0.174 nan 8.370 nan 0.000 0.512 363 T N -0.718 113.818 114.554 -0.030 0.000 3.107 363 T HA 0.047 4.391 4.350 -0.010 0.000 0.249 363 T C 1.730 176.369 174.700 -0.102 0.000 1.096 363 T CA -0.050 62.023 62.100 -0.046 0.000 1.012 363 T CB 0.269 69.125 68.868 -0.020 0.000 0.977 363 T HN 0.098 nan 8.240 nan 0.000 0.527 364 V N 2.241 122.023 119.914 -0.221 0.000 2.302 364 V HA 0.111 4.225 4.120 -0.010 0.000 0.243 364 V C 1.592 177.538 176.094 -0.246 0.000 1.036 364 V CA 1.546 63.647 62.300 -0.331 0.000 1.020 364 V CB -0.619 30.741 31.823 -0.772 0.000 0.657 364 V HN 0.828 nan 8.190 nan 0.000 0.453 365 T N -1.564 112.842 114.554 -0.247 0.000 3.077 365 T HA 0.438 4.782 4.350 -0.010 0.000 0.359 365 T C -3.002 171.654 174.700 -0.073 0.000 1.108 365 T CA -1.947 60.077 62.100 -0.126 0.000 1.170 365 T CB 1.322 70.127 68.868 -0.104 0.000 1.045 365 T HN 0.032 nan 8.240 nan 0.000 0.505 366 P HA 0.048 nan 4.420 nan 0.000 0.260 366 P C 1.379 178.676 177.300 -0.005 0.000 1.185 366 P CA -0.140 62.947 63.100 -0.021 0.000 0.763 366 P CB 0.679 32.370 31.700 -0.016 0.000 0.776 367 V N 4.713 124.642 119.914 0.025 0.000 2.332 367 V HA -0.240 3.874 4.120 -0.010 0.000 0.248 367 V C 2.166 178.343 176.094 0.137 0.000 1.055 367 V CA 1.796 64.151 62.300 0.092 0.000 1.038 367 V CB -0.919 30.965 31.823 0.102 0.000 0.651 367 V HN 0.574 nan 8.190 nan 0.000 0.450 368 L N 0.515 121.751 121.223 0.022 0.000 2.376 368 L HA -0.051 4.283 4.340 -0.010 0.000 0.219 368 L C 1.837 178.780 176.870 0.122 0.000 1.133 368 L CA 1.648 56.459 54.840 -0.049 0.000 0.816 368 L CB -0.448 41.473 42.059 -0.229 0.000 0.933 368 L HN 0.607 nan 8.230 nan 0.000 0.449 369 T N -3.917 110.689 114.554 0.086 0.000 3.339 369 T HA 0.451 4.795 4.350 -0.010 0.000 0.292 369 T C 0.459 175.176 174.700 0.028 0.000 1.012 369 T CA -0.212 61.931 62.100 0.072 0.000 0.937 369 T CB 0.235 69.121 68.868 0.030 0.000 1.164 369 T HN 0.088 nan 8.240 nan 0.000 0.509 370 A N 3.651 126.475 122.820 0.007 0.000 2.548 370 A HA 0.424 4.738 4.320 -0.010 0.000 0.247 370 A C -0.516 176.946 177.584 -0.204 0.000 1.067 370 A CA -1.041 50.864 52.037 -0.219 0.000 0.757 370 A CB 0.261 18.871 19.000 -0.649 0.000 0.996 370 A HN 0.329 nan 8.150 nan 0.000 0.504 371 P HA -0.166 nan 4.420 nan 0.000 0.233 371 P C 0.975 178.242 177.300 -0.055 0.000 1.167 371 P CA 0.916 63.984 63.100 -0.054 0.000 0.770 371 P CB 0.227 31.922 31.700 -0.009 0.000 0.837 372 Q N -0.940 118.761 119.800 -0.164 0.000 2.378 372 Q HA -0.034 4.300 4.340 -0.010 0.000 0.205 372 Q C 0.200 176.210 176.000 0.015 0.000 0.954 372 Q CA 0.495 56.257 55.803 -0.068 0.000 0.901 372 Q CB -0.724 27.981 28.738 -0.056 0.000 0.981 372 Q HN 0.134 nan 8.270 nan 0.000 0.483 373 F N 4.497 124.436 119.950 -0.018 0.000 2.467 373 F HA 0.354 4.876 4.527 -0.010 0.000 0.362 373 F C -1.787 174.012 175.800 -0.002 0.000 1.090 373 F CA -3.183 54.801 58.000 -0.026 0.000 1.202 373 F CB 0.261 39.240 39.000 -0.035 0.000 1.113 373 F HN 0.032 nan 8.300 nan 0.000 0.541 374 P HA 0.081 nan 4.420 nan 0.000 0.277 374 P C 0.916 178.243 177.300 0.044 0.000 1.271 374 P CA -0.216 62.950 63.100 0.110 0.000 0.795 374 P CB 1.090 32.860 31.700 0.117 0.000 1.101 375 V N -2.091 117.812 119.914 -0.019 0.000 2.594 375 V HA -0.188 3.926 4.120 -0.010 0.000 0.253 375 V C 2.321 178.293 176.094 -0.203 0.000 1.069 375 V CA 2.053 64.283 62.300 -0.117 0.000 1.082 375 V CB -2.349 29.263 31.823 -0.352 0.000 0.680 375 V HN 0.539 nan 8.190 nan 0.000 0.469 376 A N 0.582 123.314 122.820 -0.147 0.000 1.930 376 A HA -0.185 4.129 4.320 -0.010 0.000 0.217 376 A C 2.020 179.516 177.584 -0.148 0.000 1.175 376 A CA 1.893 53.844 52.037 -0.144 0.000 0.627 376 A CB -0.650 18.291 19.000 -0.099 0.000 0.815 376 A HN 0.587 nan 8.150 nan 0.000 0.443 377 D N -0.010 120.285 120.400 -0.175 0.000 2.162 377 D HA -0.042 4.591 4.640 -0.010 0.000 0.203 377 D C 2.013 178.123 176.300 -0.316 0.000 0.967 377 D CA 0.756 54.551 54.000 -0.340 0.000 0.840 377 D CB -0.252 40.183 40.800 -0.609 0.000 0.972 377 D HN 0.430 nan 8.370 nan 0.000 0.482 378 L N 0.934 122.080 121.223 -0.129 0.000 2.013 378 L HA -0.200 4.133 4.340 -0.010 0.000 0.212 378 L C 2.555 179.573 176.870 0.248 0.000 1.073 378 L CA 1.311 56.206 54.840 0.092 0.000 0.753 378 L CB -0.839 41.307 42.059 0.145 0.000 0.890 378 L HN 0.032 nan 8.230 nan 0.000 0.432 379 T N -0.976 113.668 114.554 0.150 0.000 2.746 379 T HA -0.177 4.167 4.350 -0.010 0.000 0.267 379 T C 2.035 176.773 174.700 0.063 0.000 1.039 379 T CA 1.168 63.327 62.100 0.099 0.000 1.142 379 T CB -0.183 68.619 68.868 -0.110 0.000 0.866 379 T HN 0.276 nan 8.240 nan 0.000 0.444 380 R N 0.323 120.806 120.500 -0.027 0.000 2.092 380 R HA 0.083 4.417 4.340 -0.010 0.000 0.231 380 R C 2.386 178.644 176.300 -0.070 0.000 1.119 380 R CA 0.979 57.047 56.100 -0.053 0.000 0.970 380 R CB -0.394 29.851 30.300 -0.092 0.000 0.864 380 R HN 0.362 nan 8.270 nan 0.000 0.440 381 L N -0.861 120.307 121.223 -0.091 0.000 2.131 381 L HA -0.095 4.239 4.340 -0.010 0.000 0.206 381 L C 2.307 179.100 176.870 -0.129 0.000 1.087 381 L CA 0.872 55.631 54.840 -0.135 0.000 0.767 381 L CB -0.445 41.498 42.059 -0.194 0.000 0.917 381 L HN 0.279 nan 8.230 nan 0.000 0.441 382 H N -0.191 118.857 119.070 -0.036 0.000 2.387 382 H HA -0.079 4.470 4.556 -0.011 0.000 0.299 382 H C 2.258 177.580 175.328 -0.011 0.000 1.090 382 H CA 1.349 57.398 56.048 0.001 0.000 1.332 382 H CB 0.191 29.998 29.762 0.075 0.000 1.386 382 H HN 0.373 nan 8.280 nan 0.000 0.516 383 A N 1.127 123.991 122.820 0.074 0.000 1.902 383 A HA -0.114 4.199 4.320 -0.010 0.000 0.217 383 A C 2.590 180.121 177.584 -0.089 0.000 1.181 383 A CA 1.076 53.118 52.037 0.009 0.000 0.623 383 A CB -0.692 18.310 19.000 0.003 0.000 0.818 383 A HN 0.253 nan 8.150 nan 0.000 0.443 384 I N -0.191 120.262 120.570 -0.196 0.000 2.226 384 I HA -0.269 3.895 4.170 -0.010 0.000 0.245 384 I C 2.971 178.985 176.117 -0.172 0.000 1.100 384 I CA 0.999 62.094 61.300 -0.341 0.000 1.374 384 I CB -0.350 37.393 38.000 -0.429 0.000 1.057 384 I HN 0.347 nan 8.210 nan 0.000 0.413 385 A N 0.313 123.056 122.820 -0.128 0.000 1.917 385 A HA -0.257 4.057 4.320 -0.010 0.000 0.219 385 A C 1.871 179.428 177.584 -0.044 0.000 1.182 385 A CA 2.279 54.260 52.037 -0.093 0.000 0.633 385 A CB -0.503 18.412 19.000 -0.141 0.000 0.819 385 A HN 0.378 nan 8.150 nan 0.000 0.448 386 D N -0.646 119.743 120.400 -0.017 0.000 2.354 386 D HA 0.332 4.966 4.640 -0.010 0.000 0.209 386 D C 0.995 177.298 176.300 0.006 0.000 1.015 386 D CA 0.753 54.760 54.000 0.012 0.000 0.867 386 D CB -0.169 40.658 40.800 0.045 0.000 0.933 386 D HN 0.458 nan 8.370 nan 0.000 0.520 387 A N 2.045 124.859 122.820 -0.010 0.000 2.386 387 A HA 0.385 4.699 4.320 -0.010 0.000 0.246 387 A C -2.120 175.473 177.584 0.014 0.000 1.089 387 A CA -0.667 51.374 52.037 0.008 0.000 0.790 387 A CB -0.219 18.789 19.000 0.013 0.000 1.042 387 A HN -0.042 nan 8.150 nan 0.000 0.497 388 P HA 0.618 nan 4.420 nan 0.000 0.284 388 P C -0.055 177.256 177.300 0.018 0.000 1.258 388 P CA 0.398 63.507 63.100 0.015 0.000 0.824 388 P CB 1.500 33.207 31.700 0.012 0.000 1.038 389 G N 0.673 109.478 108.800 0.008 0.000 2.326 389 G HA2 0.073 4.027 3.960 -0.010 0.000 0.413 389 G HA3 0.073 4.027 3.960 -0.010 0.000 0.413 389 G C -1.508 173.390 174.900 -0.004 0.000 1.444 389 G CA -0.752 44.351 45.100 0.005 0.000 1.002 389 G HN 0.466 nan 8.290 nan 0.000 0.649 390 E N -0.281 119.912 120.200 -0.011 0.000 2.248 390 E HA 0.604 4.947 4.350 -0.010 0.000 0.272 390 E C 0.619 177.200 176.600 -0.032 0.000 1.008 390 E CA -0.193 56.195 56.400 -0.020 0.000 0.856 390 E CB 1.988 31.676 29.700 -0.020 0.000 1.120 390 E HN 1.093 nan 8.360 nan 0.000 0.397 391 A N 1.381 124.176 122.820 -0.043 0.000 2.454 391 A HA 0.430 4.744 4.320 -0.010 0.000 0.260 391 A C 0.167 177.699 177.584 -0.087 0.000 1.106 391 A CA -0.061 51.934 52.037 -0.070 0.000 0.780 391 A CB 0.108 19.069 19.000 -0.064 0.000 1.044 391 A HN 0.585 nan 8.150 nan 0.000 0.498 392 A N 4.812 127.554 122.820 -0.131 0.000 2.354 392 A HA 0.671 4.984 4.320 -0.010 0.000 0.269 392 A C -2.027 175.457 177.584 -0.166 0.000 1.109 392 A CA -1.381 50.572 52.037 -0.140 0.000 0.800 392 A CB -0.177 18.733 19.000 -0.150 0.000 1.045 392 A HN 0.706 nan 8.150 nan 0.000 0.489 393 P HA 0.254 nan 4.420 nan 0.000 0.276 393 P C -0.675 176.574 177.300 -0.085 0.000 1.252 393 P CA -0.452 62.601 63.100 -0.079 0.000 0.802 393 P CB 0.502 32.181 31.700 -0.036 0.000 1.035 394 E N 1.506 121.690 120.200 -0.026 0.000 2.324 394 E HA 0.175 4.519 4.350 -0.010 0.000 0.271 394 E C -1.867 174.738 176.600 0.009 0.000 1.028 394 E CA -1.394 55.023 56.400 0.030 0.000 0.890 394 E CB -0.456 29.331 29.700 0.146 0.000 1.004 394 E HN 0.356 nan 8.360 nan 0.000 0.431 395 P HA -0.019 nan 4.420 nan 0.000 0.268 395 P C -0.575 176.702 177.300 -0.038 0.000 1.204 395 P CA -0.225 62.866 63.100 -0.016 0.000 0.768 395 P CB 0.495 32.193 31.700 -0.004 0.000 0.842 396 V N 2.887 122.764 119.914 -0.061 0.000 2.673 396 V HA 0.485 4.599 4.120 -0.010 0.000 0.303 396 V C 1.096 177.117 176.094 -0.121 0.000 1.046 396 V CA 1.622 63.856 62.300 -0.111 0.000 1.126 396 V CB 0.059 31.822 31.823 -0.100 0.000 0.934 396 V HN 1.042 nan 8.190 nan 0.000 0.487 397 G N 3.397 112.092 108.800 -0.174 0.000 2.341 397 G HA2 0.260 4.214 3.960 -0.010 0.000 0.293 397 G HA3 0.260 4.214 3.960 -0.010 0.000 0.293 397 G C -1.651 173.198 174.900 -0.085 0.000 1.298 397 G CA -0.714 44.311 45.100 -0.125 0.000 0.868 397 G HN 0.815 nan 8.290 nan 0.000 0.540 398 H N 0.136 119.148 119.070 -0.096 0.000 2.679 398 H HA 0.588 5.137 4.556 -0.010 0.000 0.360 398 H C -1.609 173.657 175.328 -0.103 0.000 1.105 398 H CA -0.437 55.589 56.048 -0.036 0.000 1.196 398 H CB 2.100 31.890 29.762 0.047 0.000 1.636 398 H HN 0.573 nan 8.280 nan 0.000 0.531 399 H N 5.607 124.310 119.070 -0.612 0.000 2.727 399 H HA 0.179 4.729 4.556 -0.011 0.000 0.330 399 H C -1.327 173.580 175.328 -0.703 0.000 0.986 399 H CA -0.726 54.962 56.048 -0.600 0.000 1.251 399 H CB 1.346 30.675 29.762 -0.722 0.000 1.493 399 H HN 0.400 nan 8.280 nan 0.000 0.515 400 L N 6.704 127.643 121.223 -0.474 0.000 2.272 400 L HA 0.313 4.647 4.340 -0.010 0.000 0.284 400 L C -1.382 175.347 176.870 -0.236 0.000 1.045 400 L CA -0.235 54.485 54.840 -0.200 0.000 0.842 400 L CB -0.275 41.768 42.059 -0.026 0.000 1.224 400 L HN 0.391 nan 8.230 nan 0.000 0.430 401 F N 5.130 125.103 119.950 0.038 0.000 2.541 401 F HA 0.377 4.897 4.527 -0.011 0.000 0.351 401 F C 1.494 177.261 175.800 -0.056 0.000 1.209 401 F CA 0.156 58.162 58.000 0.009 0.000 1.277 401 F CB 0.275 39.259 39.000 -0.026 0.000 1.632 401 F HN 0.728 nan 8.300 nan 0.000 0.619 402 A N 2.031 124.886 122.820 0.059 0.000 1.898 402 A HA -0.050 4.264 4.320 -0.010 0.000 0.216 402 A C 2.429 179.992 177.584 -0.035 0.000 1.181 402 A CA 1.562 53.605 52.037 0.012 0.000 0.620 402 A CB -0.715 18.268 19.000 -0.028 0.000 0.819 402 A HN 0.604 nan 8.150 nan 0.000 0.442 403 A N 0.254 123.010 122.820 -0.107 0.000 2.024 403 A HA -0.086 4.228 4.320 -0.010 0.000 0.220 403 A C 2.034 179.409 177.584 -0.350 0.000 1.164 403 A CA 1.754 53.598 52.037 -0.321 0.000 0.643 403 A CB -0.665 17.903 19.000 -0.719 0.000 0.806 403 A HN 0.865 nan 8.150 nan 0.000 0.451 404 M N -3.130 116.342 119.600 -0.213 0.000 2.576 404 M HA 0.328 4.802 4.480 -0.010 0.000 0.322 404 M C -0.725 175.552 176.300 -0.038 0.000 1.184 404 M CA -0.046 55.167 55.300 -0.145 0.000 0.967 404 M CB 0.135 32.637 32.600 -0.163 0.000 1.372 404 M HN 0.021 nan 8.290 nan 0.000 0.509 405 D N 2.073 122.475 120.400 0.004 0.000 2.689 405 D HA -0.125 4.508 4.640 -0.010 0.000 0.237 405 D C -0.737 175.597 176.300 0.057 0.000 1.148 405 D CA 0.854 54.885 54.000 0.052 0.000 0.656 405 D CB -0.533 40.303 40.800 0.061 0.000 1.050 405 D HN 0.499 nan 8.370 nan 0.000 0.426 406 R N -0.385 120.166 120.500 0.085 0.000 2.686 406 R HA 0.882 5.216 4.340 -0.010 0.000 0.283 406 R C -0.281 176.119 176.300 0.167 0.000 0.978 406 R CA -0.722 55.438 56.100 0.100 0.000 0.897 406 R CB 2.179 32.516 30.300 0.063 0.000 1.192 406 R HN 0.088 nan 8.270 nan 0.000 0.457 407 A N 1.611 124.476 122.820 0.076 0.000 2.414 407 A HA 0.730 5.044 4.320 -0.010 0.000 0.306 407 A C -1.101 176.415 177.584 -0.113 0.000 1.054 407 A CA -0.634 51.367 52.037 -0.059 0.000 0.724 407 A CB 1.877 20.801 19.000 -0.127 0.000 1.267 407 A HN 0.327 nan 8.150 nan 0.000 0.418 408 V N 2.099 121.850 119.914 -0.272 0.000 2.656 408 V HA 0.538 4.652 4.120 -0.010 0.000 0.307 408 V C -1.013 174.850 176.094 -0.385 0.000 1.051 408 V CA -0.403 61.804 62.300 -0.154 0.000 0.893 408 V CB 1.885 33.729 31.823 0.035 0.000 0.999 408 V HN 1.026 nan 8.190 nan 0.000 0.426 409 H N 3.999 122.928 119.070 -0.236 0.000 2.679 409 H HA 0.722 5.272 4.556 -0.010 0.000 0.360 409 H C -0.641 174.643 175.328 -0.074 0.000 1.105 409 H CA -0.644 55.321 56.048 -0.138 0.000 1.196 409 H CB 1.478 31.313 29.762 0.122 0.000 1.636 409 H HN 0.568 nan 8.280 nan 0.000 0.531 410 R N 3.591 123.804 120.500 -0.477 0.000 2.575 410 R HA 0.571 4.905 4.340 -0.010 0.000 0.293 410 R C -0.730 175.215 176.300 -0.592 0.000 0.983 410 R CA -1.089 54.751 56.100 -0.434 0.000 0.887 410 R CB 1.538 31.713 30.300 -0.209 0.000 1.184 410 R HN 0.486 nan 8.270 nan 0.000 0.445 411 R N 1.766 121.904 120.500 -0.604 0.000 2.888 411 R HA 0.346 4.680 4.340 -0.010 0.000 0.264 411 R C -2.025 174.141 176.300 -0.222 0.000 1.045 411 R CA -2.490 53.353 56.100 -0.428 0.000 0.962 411 R CB 0.717 30.704 30.300 -0.521 0.000 1.210 411 R HN 0.295 nan 8.270 nan 0.000 0.479 412 P HA -0.119 nan 4.420 nan 0.000 0.216 412 P C 0.696 178.017 177.300 0.035 0.000 1.150 412 P CA 1.796 64.889 63.100 -0.011 0.000 0.843 412 P CB 0.281 31.991 31.700 0.016 0.000 0.787 413 A N -2.252 120.612 122.820 0.073 0.000 2.132 413 A HA 0.269 4.583 4.320 -0.010 0.000 0.213 413 A C 0.688 178.474 177.584 0.336 0.000 1.154 413 A CA 0.466 52.623 52.037 0.199 0.000 0.753 413 A CB -0.692 18.457 19.000 0.247 0.000 0.826 413 A HN 0.332 nan 8.150 nan 0.000 0.469 414 F N -4.623 115.385 119.950 0.096 0.000 2.807 414 F HA 0.616 5.138 4.527 -0.009 0.000 0.316 414 F C -1.080 174.803 175.800 0.138 0.000 1.162 414 F CA -0.896 57.192 58.000 0.146 0.000 0.910 414 F CB 0.659 39.726 39.000 0.111 0.000 1.314 414 F HN -0.280 nan 8.300 nan 0.000 0.454 415 T N 1.546 116.310 114.554 0.350 0.000 2.863 415 T HA 0.875 5.218 4.350 -0.010 0.000 0.285 415 T C -0.891 174.246 174.700 0.729 0.000 1.009 415 T CA -0.377 61.868 62.100 0.242 0.000 0.989 415 T CB 1.541 70.242 68.868 -0.278 0.000 1.004 415 T HN 1.054 nan 8.240 nan 0.000 0.455 416 A N 1.434 124.644 122.820 0.650 0.000 2.498 416 A HA 0.935 5.249 4.320 -0.010 0.000 0.298 416 A C -0.297 177.588 177.584 0.501 0.000 1.075 416 A CA -0.856 51.600 52.037 0.700 0.000 0.714 416 A CB 1.820 21.322 19.000 0.836 0.000 1.299 416 A HN 1.061 nan 8.150 nan 0.000 0.407 417 G N 0.275 109.320 108.800 0.408 0.000 2.666 417 G HA2 0.584 4.538 3.960 -0.010 0.000 0.303 417 G HA3 0.584 4.538 3.960 -0.010 0.000 0.303 417 G C -1.502 173.487 174.900 0.147 0.000 1.412 417 G CA -0.369 44.879 45.100 0.247 0.000 0.979 417 G HN 0.978 nan 8.290 nan 0.000 0.507 418 L N 2.579 123.848 121.223 0.077 0.000 2.295 418 L HA 0.863 5.197 4.340 -0.010 0.000 0.285 418 L C 0.208 177.058 176.870 -0.033 0.000 1.035 418 L CA -0.659 54.162 54.840 -0.032 0.000 0.806 418 L CB 1.554 43.526 42.059 -0.146 0.000 1.214 418 L HN 0.665 nan 8.230 nan 0.000 0.426 419 A N 6.595 129.403 122.820 -0.020 0.000 2.318 419 A HA 0.813 5.126 4.320 -0.010 0.000 0.317 419 A C -0.534 177.082 177.584 0.053 0.000 1.159 419 A CA -0.628 51.423 52.037 0.024 0.000 0.799 419 A CB 0.718 19.753 19.000 0.058 0.000 1.194 419 A HN 0.836 nan 8.150 nan 0.000 0.479 420 M N 1.017 120.660 119.600 0.072 0.000 2.826 420 M HA 0.843 5.317 4.480 -0.010 0.000 0.288 420 M C -0.036 176.338 176.300 0.123 0.000 1.141 420 M CA -0.646 54.739 55.300 0.141 0.000 0.816 420 M CB 2.163 34.866 32.600 0.172 0.000 1.704 420 M HN 0.864 nan 8.290 nan 0.000 0.497 421 A N 0.225 123.116 122.820 0.117 0.000 2.589 421 A HA 0.805 5.119 4.320 -0.010 0.000 0.296 421 A C -1.015 176.569 177.584 0.001 0.000 1.062 421 A CA -0.381 51.664 52.037 0.015 0.000 0.686 421 A CB 1.519 20.471 19.000 -0.080 0.000 1.282 421 A HN 0.878 nan 8.150 nan 0.000 0.404 422 S N -0.239 115.438 115.700 -0.039 0.000 2.843 422 S HA 0.590 5.054 4.470 -0.010 0.000 0.301 422 S C -0.002 174.575 174.600 -0.038 0.000 1.206 422 S CA 0.266 58.468 58.200 0.004 0.000 0.875 422 S CB 0.782 64.026 63.200 0.073 0.000 1.248 422 S HN 0.965 nan 8.310 nan 0.000 0.555 423 D N 0.151 120.552 120.400 0.002 0.000 2.348 423 D HA -0.012 4.622 4.640 -0.010 0.000 0.216 423 D C 1.334 177.657 176.300 0.039 0.000 0.970 423 D CA 0.564 54.560 54.000 -0.008 0.000 0.889 423 D CB -0.309 40.505 40.800 0.023 0.000 0.912 423 D HN 0.530 nan 8.370 nan 0.000 0.524 424 R N -0.561 119.988 120.500 0.083 0.000 2.223 424 R HA 0.268 4.601 4.340 -0.010 0.000 0.198 424 R C 0.103 176.531 176.300 0.214 0.000 0.984 424 R CA 0.202 56.406 56.100 0.174 0.000 1.018 424 R CB 0.805 31.180 30.300 0.125 0.000 0.945 424 R HN 0.137 nan 8.270 nan 0.000 0.479 425 I N 0.770 121.399 120.570 0.097 0.000 2.478 425 I HA 0.311 4.475 4.170 -0.010 0.000 0.287 425 I C -0.134 175.994 176.117 0.018 0.000 1.042 425 I CA -1.397 59.959 61.300 0.093 0.000 1.067 425 I CB 1.494 39.520 38.000 0.044 0.000 1.233 425 I HN -0.017 nan 8.210 nan 0.000 0.431 426 A N 4.803 127.661 122.820 0.062 0.000 2.483 426 A HA 0.101 4.415 4.320 -0.010 0.000 0.238 426 A C 1.150 178.760 177.584 0.042 0.000 1.070 426 A CA 0.358 52.399 52.037 0.006 0.000 0.770 426 A CB -0.231 18.803 19.000 0.057 0.000 1.008 426 A HN 0.849 nan 8.150 nan 0.000 0.497 427 H N 0.112 119.251 119.070 0.116 0.000 2.357 427 H HA -0.069 4.481 4.556 -0.010 0.000 0.296 427 H C 0.197 175.699 175.328 0.290 0.000 1.108 427 H CA 3.129 59.302 56.048 0.209 0.000 1.273 427 H CB -0.176 29.755 29.762 0.281 0.000 1.367 427 H HN 0.836 nan 8.280 nan 0.000 0.498 428 Y N -2.602 117.773 120.300 0.124 0.000 2.810 428 Y HA 0.309 4.852 4.550 -0.010 0.000 0.355 428 Y C -1.864 174.035 175.900 -0.001 0.000 1.211 428 Y CA -1.744 56.366 58.100 0.017 0.000 1.112 428 Y CB 0.939 39.379 38.460 -0.033 0.000 1.383 428 Y HN -0.011 nan 8.280 nan 0.000 0.458 429 E N 1.868 121.950 120.200 -0.197 0.000 2.187 429 E HA 0.694 5.038 4.350 -0.010 0.000 0.268 429 E C -1.227 175.161 176.600 -0.354 0.000 0.896 429 E CA -0.869 55.347 56.400 -0.305 0.000 0.766 429 E CB 1.539 31.263 29.700 0.040 0.000 1.142 429 E HN 1.005 nan 8.360 nan 0.000 0.408 430 C N 2.143 121.103 119.300 -0.566 0.000 2.529 430 C HA 1.081 5.535 4.460 -0.010 0.000 0.329 430 C C 0.439 174.987 174.990 -0.737 0.000 1.194 430 C CA -0.004 58.752 59.018 -0.438 0.000 1.779 430 C CB 0.287 27.852 27.740 -0.293 0.000 2.322 430 C HN 0.859 nan 8.230 nan 0.000 0.500 431 G N 1.351 109.743 108.800 -0.681 0.000 2.377 431 G HA2 0.460 4.414 3.960 -0.010 0.000 0.297 431 G HA3 0.460 4.414 3.960 -0.010 0.000 0.297 431 G C -0.763 173.904 174.900 -0.387 0.000 1.547 431 G CA -0.627 43.795 45.100 -1.130 0.000 0.833 431 G HN 1.027 nan 8.290 nan 0.000 0.583 432 N N -0.938 117.721 118.700 -0.068 0.000 2.708 432 N HA -0.167 4.567 4.740 -0.010 0.000 0.249 432 N C 1.600 177.105 175.510 -0.007 0.000 1.097 432 N CA 2.959 56.057 53.050 0.079 0.000 0.710 432 N CB -1.019 37.564 38.487 0.160 0.000 1.032 432 N HN 2.437 nan 8.380 nan 0.000 0.551 433 G N -1.509 107.255 108.800 -0.059 0.000 2.159 433 G HA2 -0.312 3.642 3.960 -0.010 0.000 0.256 433 G HA3 -0.312 3.642 3.960 -0.010 0.000 0.256 433 G C -0.291 174.561 174.900 -0.081 0.000 0.977 433 G CA 0.588 45.654 45.100 -0.056 0.000 0.652 433 G HN 0.579 nan 8.290 nan 0.000 0.531 434 E N -0.291 119.840 120.200 -0.115 0.000 2.195 434 E HA 0.522 4.866 4.350 -0.010 0.000 0.271 434 E C 0.453 176.958 176.600 -0.159 0.000 0.923 434 E CA -0.882 55.455 56.400 -0.105 0.000 0.790 434 E CB 1.106 30.764 29.700 -0.069 0.000 1.155 434 E HN 0.118 nan 8.360 nan 0.000 0.402 435 N N 1.534 120.126 118.700 -0.180 0.000 2.738 435 N HA -0.123 4.611 4.740 -0.010 0.000 0.249 435 N C -1.873 173.415 175.510 -0.370 0.000 1.047 435 N CA 0.304 53.182 53.050 -0.287 0.000 0.707 435 N CB -0.459 37.928 38.487 -0.168 0.000 0.937 435 N HN 0.378 nan 8.380 nan 0.000 0.545 436 P HA -0.083 nan 4.420 nan 0.000 0.226 436 P C 0.469 177.291 177.300 -0.796 0.000 1.153 436 P CA 1.025 63.895 63.100 -0.383 0.000 0.777 436 P CB 0.196 31.728 31.700 -0.280 0.000 0.794 437 R N -0.614 119.045 120.500 -1.402 0.000 2.586 437 R HA 0.273 4.607 4.340 -0.010 0.000 0.336 437 R C 1.675 176.541 176.300 -2.391 0.000 1.060 437 R CA -0.026 54.593 56.100 -2.469 0.000 1.079 437 R CB 0.053 29.039 30.300 -2.190 0.000 1.317 437 R HN 0.082 nan 8.270 nan 0.000 0.568 438 G N 0.001 107.765 108.800 -1.726 0.000 3.124 438 G HA2 -0.106 3.847 3.960 -0.010 0.000 0.212 438 G HA3 -0.106 3.847 3.960 -0.010 0.000 0.212 438 G C 0.764 174.953 174.900 -1.184 0.000 1.181 438 G CA -0.353 44.165 45.100 -0.969 0.000 0.803 438 G HN 0.339 nan 8.290 nan 0.000 0.529 439 W N 0.537 121.009 121.300 -1.381 0.000 2.290 439 W HA -0.157 4.497 4.660 -0.010 0.000 0.311 439 W C 1.300 177.444 176.519 -0.626 0.000 1.238 439 W CA 0.988 57.583 57.345 -1.250 0.000 1.255 439 W CB -0.810 27.945 29.460 -1.175 0.000 1.145 439 W HN 0.376 nan 8.180 nan 0.000 0.506 440 H N -0.472 118.653 119.070 0.092 0.000 2.505 440 H HA 0.107 4.657 4.556 -0.010 0.000 0.286 440 H C 1.939 177.387 175.328 0.199 0.000 1.072 440 H CA 1.209 57.359 56.048 0.170 0.000 1.141 440 H CB -0.481 29.393 29.762 0.187 0.000 1.550 440 H HN 0.078 nan 8.280 nan 0.000 0.547 441 T N -2.400 112.305 114.554 0.252 0.000 3.098 441 T HA -0.020 4.324 4.350 -0.010 0.000 0.266 441 T C 1.860 176.700 174.700 0.233 0.000 1.145 441 T CA 0.899 63.147 62.100 0.247 0.000 1.092 441 T CB -0.113 68.857 68.868 0.169 0.000 0.908 441 T HN 0.340 nan 8.240 nan 0.000 0.526 442 G N 0.046 109.015 108.800 0.282 0.000 3.575 442 G HA2 0.534 4.488 3.960 -0.010 0.000 0.273 442 G HA3 0.534 4.488 3.960 -0.010 0.000 0.273 442 G C 0.709 175.805 174.900 0.328 0.000 1.053 442 G CA -0.016 45.246 45.100 0.270 0.000 0.803 442 G HN 0.610 nan 8.290 nan 0.000 0.528 443 A N 0.452 123.487 122.820 0.359 0.000 3.105 443 A HA 0.563 4.876 4.320 -0.010 0.000 0.272 443 A C 1.497 179.317 177.584 0.392 0.000 1.466 443 A CA 0.343 52.602 52.037 0.371 0.000 1.101 443 A CB -0.850 18.358 19.000 0.346 0.000 1.065 443 A HN 1.456 nan 8.150 nan 0.000 0.643 444 G N 0.058 109.106 108.800 0.414 0.000 2.248 444 G HA2 -0.231 3.723 3.960 -0.010 0.000 0.263 444 G HA3 -0.231 3.723 3.960 -0.010 0.000 0.263 444 G C 0.049 175.205 174.900 0.427 0.000 1.082 444 G CA 0.305 45.743 45.100 0.564 0.000 0.863 444 G HN 0.775 nan 8.290 nan 0.000 0.495 445 M N 0.375 120.128 119.600 0.256 0.000 2.146 445 M HA 0.581 5.054 4.480 -0.010 0.000 0.352 445 M C -0.137 176.255 176.300 0.154 0.000 1.343 445 M CA -0.750 54.689 55.300 0.231 0.000 1.115 445 M CB 0.520 33.246 32.600 0.211 0.000 1.657 445 M HN 0.257 nan 8.290 nan 0.000 0.471 446 L N 7.213 128.574 121.223 0.231 0.000 2.277 446 L HA 0.495 4.829 4.340 -0.010 0.000 0.284 446 L C -0.337 176.675 176.870 0.237 0.000 1.028 446 L CA 0.071 55.060 54.840 0.250 0.000 0.835 446 L CB 1.202 43.510 42.059 0.414 0.000 1.215 446 L HN 0.785 nan 8.230 nan 0.000 0.425 447 T N 2.146 116.746 114.554 0.077 0.000 2.929 447 T HA 0.780 5.124 4.350 -0.010 0.000 0.284 447 T C -0.663 173.982 174.700 -0.092 0.000 1.014 447 T CA -0.652 61.323 62.100 -0.207 0.000 1.051 447 T CB 1.324 69.739 68.868 -0.754 0.000 1.028 447 T HN 0.693 nan 8.240 nan 0.000 0.485 448 W N 0.168 121.246 121.300 -0.370 0.000 3.153 448 W HA 0.544 5.198 4.660 -0.011 0.000 0.316 448 W C -2.303 173.937 176.519 -0.465 0.000 1.255 448 W CA -1.577 55.592 57.345 -0.294 0.000 1.192 448 W CB 0.715 30.225 29.460 0.083 0.000 1.400 448 W HN 0.630 nan 8.180 nan 0.000 0.568 449 W N 1.204 122.895 121.300 0.652 0.000 2.785 449 W HA 0.538 5.193 4.660 -0.009 0.000 0.333 449 W C -0.382 176.463 176.519 0.542 0.000 1.062 449 W CA -1.322 56.306 57.345 0.472 0.000 1.233 449 W CB 2.337 32.017 29.460 0.367 0.000 1.413 449 W HN 0.584 nan 8.180 nan 0.000 0.489 450 A N 3.663 126.858 122.820 0.625 0.000 2.404 450 A HA 0.227 4.541 4.320 -0.010 0.000 0.273 450 A C 0.311 178.135 177.584 0.399 0.000 1.144 450 A CA -0.238 52.063 52.037 0.441 0.000 0.806 450 A CB -0.114 19.062 19.000 0.292 0.000 1.080 450 A HN 0.561 nan 8.150 nan 0.000 0.509 451 N N 1.113 120.028 118.700 0.359 0.000 2.415 451 N HA 0.309 5.043 4.740 -0.010 0.000 0.248 451 N C 1.347 176.991 175.510 0.225 0.000 1.271 451 N CA 1.294 54.532 53.050 0.312 0.000 0.913 451 N CB 0.532 39.162 38.487 0.238 0.000 1.129 451 N HN 1.161 nan 8.380 nan 0.000 0.444 452 G N -0.573 108.342 108.800 0.192 0.000 2.212 452 G HA2 -0.280 3.674 3.960 -0.010 0.000 0.267 452 G HA3 -0.280 3.674 3.960 -0.010 0.000 0.267 452 G C 0.251 175.224 174.900 0.121 0.000 1.002 452 G CA 1.296 46.474 45.100 0.130 0.000 0.729 452 G HN 0.931 nan 8.290 nan 0.000 0.517 453 T N -3.213 111.434 114.554 0.154 0.000 2.924 453 T HA 0.650 4.994 4.350 -0.010 0.000 0.291 453 T C 0.275 175.052 174.700 0.129 0.000 1.045 453 T CA -0.205 61.966 62.100 0.119 0.000 1.015 453 T CB 1.868 70.796 68.868 0.101 0.000 1.103 453 T HN 0.623 nan 8.240 nan 0.000 0.496 454 R N 1.450 122.001 120.500 0.085 0.000 2.485 454 R HA 0.267 4.601 4.340 -0.010 0.000 0.304 454 R C 0.592 176.980 176.300 0.147 0.000 0.934 454 R CA 0.347 56.494 56.100 0.078 0.000 1.102 454 R CB -0.237 30.087 30.300 0.039 0.000 0.906 454 R HN 0.824 nan 8.270 nan 0.000 0.407 455 A N 4.788 127.719 122.820 0.186 0.000 3.117 455 A HA 0.050 4.364 4.320 -0.010 0.000 0.255 455 A C 0.001 177.847 177.584 0.437 0.000 1.583 455 A CA -0.230 52.015 52.037 0.346 0.000 1.234 455 A CB -0.276 18.822 19.000 0.162 0.000 1.076 455 A HN 0.880 nan 8.150 nan 0.000 0.653 456 D N -1.311 119.248 120.400 0.264 0.000 2.402 456 D HA -0.012 4.622 4.640 -0.010 0.000 0.216 456 D C 1.260 177.636 176.300 0.127 0.000 1.128 456 D CA -0.034 54.089 54.000 0.204 0.000 0.833 456 D CB -0.047 40.798 40.800 0.076 0.000 0.971 456 D HN 0.309 nan 8.370 nan 0.000 0.503 457 Q N 0.711 120.535 119.800 0.041 0.000 2.047 457 Q HA -0.260 4.074 4.340 -0.010 0.000 0.211 457 Q C 0.743 176.414 176.000 -0.549 0.000 1.005 457 Q CA 1.970 57.545 55.803 -0.380 0.000 0.866 457 Q CB -0.643 27.597 28.738 -0.828 0.000 0.938 457 Q HN 0.526 nan 8.270 nan 0.000 0.414 458 Y N -0.952 119.293 120.300 -0.092 0.000 2.466 458 Y HA 0.222 4.765 4.550 -0.011 0.000 0.272 458 Y C 1.893 177.853 175.900 0.100 0.000 1.169 458 Y CA 0.819 58.716 58.100 -0.339 0.000 1.285 458 Y CB 0.228 38.447 38.460 -0.402 0.000 1.078 458 Y HN 0.105 nan 8.280 nan 0.000 0.523 459 T N -1.557 113.172 114.554 0.292 0.000 3.009 459 T HA -0.079 4.265 4.350 -0.010 0.000 0.258 459 T C 0.619 175.496 174.700 0.295 0.000 1.063 459 T CA 0.788 63.086 62.100 0.330 0.000 1.139 459 T CB -0.090 68.969 68.868 0.319 0.000 0.890 459 T HN 0.056 nan 8.240 nan 0.000 0.471 460 D N 0.074 120.623 120.400 0.248 0.000 2.713 460 D HA 0.115 4.749 4.640 -0.010 0.000 0.229 460 D C -0.842 175.712 176.300 0.423 0.000 1.136 460 D CA -0.754 53.430 54.000 0.307 0.000 1.010 460 D CB -0.783 40.114 40.800 0.160 0.000 1.084 460 D HN 0.285 nan 8.370 nan 0.000 0.495 461 W N 1.081 122.491 121.300 0.184 0.000 5.361 461 W HA -0.298 4.355 4.660 -0.010 0.000 0.385 461 W C 0.811 177.335 176.519 0.008 0.000 1.458 461 W CA -0.073 57.312 57.345 0.067 0.000 0.922 461 W CB -2.705 26.772 29.460 0.027 0.000 2.606 461 W HN 0.381 nan 8.180 nan 0.000 1.450 462 F N -0.709 119.243 119.950 0.003 0.000 2.074 462 F HA -0.033 4.488 4.527 -0.010 0.000 0.293 462 F C 2.139 177.848 175.800 -0.151 0.000 1.116 462 F CA 2.219 60.147 58.000 -0.120 0.000 1.212 462 F CB -0.542 38.221 39.000 -0.394 0.000 0.998 462 F HN -0.058 nan 8.300 nan 0.000 0.471 463 W N 1.248 122.712 121.300 0.273 0.000 2.402 463 W HA -0.048 4.606 4.660 -0.011 0.000 0.286 463 W C -0.651 175.784 176.519 -0.140 0.000 1.221 463 W CA 0.691 58.075 57.345 0.065 0.000 1.257 463 W CB -1.930 27.688 29.460 0.264 0.000 1.120 463 W HN 0.078 nan 8.180 nan 0.000 0.551 464 P HA -0.027 nan 4.420 nan 0.000 0.236 464 P C 1.121 178.398 177.300 -0.038 0.000 1.177 464 P CA 1.807 64.746 63.100 -0.267 0.000 0.773 464 P CB 0.007 31.221 31.700 -0.810 0.000 0.878 465 T N -4.477 110.059 114.554 -0.031 0.000 2.990 465 T HA 0.130 4.474 4.350 -0.010 0.000 0.250 465 T C 0.778 175.267 174.700 -0.351 0.000 1.041 465 T CA -0.161 61.931 62.100 -0.013 0.000 1.010 465 T CB -0.728 68.277 68.868 0.228 0.000 1.003 465 T HN -0.126 nan 8.240 nan 0.000 0.499 466 V N 3.181 122.692 119.914 -0.673 0.000 2.763 466 V HA 0.168 4.282 4.120 -0.010 0.000 0.306 466 V C 0.077 175.593 176.094 -0.964 0.000 1.059 466 V CA -0.277 61.188 62.300 -1.392 0.000 1.138 466 V CB 0.571 31.451 31.823 -1.573 0.000 0.940 466 V HN 0.474 nan 8.190 nan 0.000 0.489 467 D N 5.744 125.593 120.400 -0.919 0.000 2.349 467 D HA -0.019 4.615 4.640 -0.010 0.000 0.266 467 D C 0.456 176.548 176.300 -0.347 0.000 1.293 467 D CA 0.145 53.877 54.000 -0.446 0.000 0.926 467 D CB 0.219 40.779 40.800 -0.400 0.000 1.090 467 D HN 0.638 nan 8.370 nan 0.000 0.502 468 W N 2.796 124.012 121.300 -0.139 0.000 2.721 468 W HA -0.075 4.579 4.660 -0.010 0.000 0.245 468 W C 1.089 177.574 176.519 -0.057 0.000 1.276 468 W CA -0.049 57.219 57.345 -0.128 0.000 1.342 468 W CB -0.381 28.894 29.460 -0.308 0.000 1.135 468 W HN 0.552 nan 8.180 nan 0.000 0.654 469 Y N -0.712 119.736 120.300 0.247 0.000 2.482 469 Y HA 0.175 4.719 4.550 -0.010 0.000 0.270 469 Y C 1.147 177.024 175.900 -0.038 0.000 1.152 469 Y CA 0.582 58.781 58.100 0.166 0.000 1.292 469 Y CB 0.015 38.508 38.460 0.055 0.000 1.070 469 Y HN -0.249 nan 8.280 nan 0.000 0.528 470 R N 0.828 121.323 120.500 -0.009 0.000 2.738 470 R HA 0.322 4.656 4.340 -0.010 0.000 0.280 470 R C -1.256 174.985 176.300 -0.098 0.000 1.456 470 R CA -0.158 55.872 56.100 -0.117 0.000 1.612 470 R CB 0.277 30.419 30.300 -0.263 0.000 1.286 470 R HN 0.104 nan 8.270 nan 0.000 0.660 471 L N 2.707 123.938 121.223 0.012 0.000 2.349 471 L HA 0.370 4.704 4.340 -0.010 0.000 0.275 471 L C -1.819 175.130 176.870 0.132 0.000 1.115 471 L CA -2.078 52.812 54.840 0.083 0.000 0.820 471 L CB 0.601 42.777 42.059 0.195 0.000 1.135 471 L HN 0.013 nan 8.230 nan 0.000 0.445 472 P HA -0.000 nan 4.420 nan 0.000 0.264 472 P C 0.764 178.230 177.300 0.276 0.000 1.193 472 P CA 0.722 63.945 63.100 0.204 0.000 0.763 472 P CB 0.944 32.781 31.700 0.229 0.000 0.810 473 G N 2.138 111.125 108.800 0.310 0.000 2.217 473 G HA2 -0.225 3.729 3.960 -0.010 0.000 0.246 473 G HA3 -0.225 3.729 3.960 -0.010 0.000 0.246 473 G C 0.346 175.499 174.900 0.421 0.000 0.990 473 G CA 0.399 45.782 45.100 0.473 0.000 0.627 473 G HN 0.856 nan 8.290 nan 0.000 0.522 474 T N -0.886 113.840 114.554 0.288 0.000 2.899 474 T HA 0.612 4.956 4.350 -0.010 0.000 0.284 474 T C -0.015 174.798 174.700 0.189 0.000 1.004 474 T CA 0.523 62.782 62.100 0.264 0.000 1.043 474 T CB 2.094 71.082 68.868 0.200 0.000 1.013 474 T HN 0.341 nan 8.240 nan 0.000 0.518 475 T N 1.984 116.655 114.554 0.194 0.000 2.792 475 T HA 0.630 4.974 4.350 -0.010 0.000 0.280 475 T C -0.288 174.445 174.700 0.055 0.000 0.990 475 T CA -0.633 61.557 62.100 0.151 0.000 0.960 475 T CB 0.946 69.937 68.868 0.206 0.000 0.939 475 T HN 1.014 nan 8.240 nan 0.000 0.439 476 V N 0.507 120.414 119.914 -0.012 0.000 3.049 476 V HA 0.818 4.932 4.120 -0.010 0.000 0.309 476 V C 0.030 176.093 176.094 -0.053 0.000 1.148 476 V CA -1.098 61.122 62.300 -0.134 0.000 0.990 476 V CB 1.875 33.418 31.823 -0.466 0.000 1.039 476 V HN 0.755 nan 8.190 nan 0.000 0.430 477 S N 1.453 117.130 115.700 -0.038 0.000 2.562 477 S HA 0.231 4.695 4.470 -0.010 0.000 0.281 477 S C 1.368 175.957 174.600 -0.019 0.000 1.333 477 S CA 0.424 58.615 58.200 -0.014 0.000 1.052 477 S CB 0.909 64.106 63.200 -0.005 0.000 0.884 477 S HN 1.732 nan 8.310 nan 0.000 0.506 478 T N 1.585 116.112 114.554 -0.045 0.000 3.148 478 T HA 0.108 4.451 4.350 -0.010 0.000 0.253 478 T C 0.634 175.244 174.700 -0.149 0.000 1.134 478 T CA -0.021 62.019 62.100 -0.099 0.000 1.051 478 T CB -0.291 68.491 68.868 -0.143 0.000 0.959 478 T HN 0.655 nan 8.240 nan 0.000 0.525 479 K N 1.959 122.310 120.400 -0.083 0.000 2.491 479 K HA 0.022 4.336 4.320 -0.010 0.000 0.279 479 K C -0.214 176.312 176.600 -0.123 0.000 1.026 479 K CA -0.455 55.770 56.287 -0.103 0.000 1.070 479 K CB 0.373 32.831 32.500 -0.069 0.000 0.887 479 K HN -0.004 nan 8.250 nan 0.000 0.481 480 R N 3.381 123.761 120.500 -0.199 0.000 2.570 480 R HA 0.188 4.521 4.340 -0.010 0.000 0.277 480 R C -0.354 175.857 176.300 -0.147 0.000 1.039 480 R CA 0.111 56.093 56.100 -0.195 0.000 1.065 480 R CB 0.051 30.239 30.300 -0.186 0.000 0.964 480 R HN 0.525 nan 8.270 nan 0.000 0.428 481 L N 1.442 122.533 121.223 -0.219 0.000 2.341 481 L HA 0.656 4.989 4.340 -0.010 0.000 0.267 481 L C 0.149 176.850 176.870 -0.281 0.000 1.009 481 L CA -1.408 53.119 54.840 -0.522 0.000 0.819 481 L CB 1.999 43.240 42.059 -1.364 0.000 1.323 481 L HN 0.617 nan 8.230 nan 0.000 0.425 482 A N 0.482 123.205 122.820 -0.162 0.000 2.388 482 A HA 0.281 4.595 4.320 -0.010 0.000 0.257 482 A C -0.579 177.146 177.584 0.236 0.000 1.095 482 A CA -0.513 51.542 52.037 0.030 0.000 0.791 482 A CB 0.016 19.022 19.000 0.010 0.000 1.029 482 A HN 0.692 nan 8.150 nan 0.000 0.489 483 D N 1.142 121.692 120.400 0.249 0.000 2.583 483 D HA 0.148 4.781 4.640 -0.010 0.000 0.232 483 D C 0.805 177.221 176.300 0.193 0.000 1.128 483 D CA 1.118 55.249 54.000 0.218 0.000 0.859 483 D CB 0.072 40.912 40.800 0.067 0.000 1.169 483 D HN 0.605 nan 8.370 nan 0.000 0.481 484 R N -0.428 120.204 120.500 0.220 0.000 3.989 484 R HA -0.196 4.138 4.340 -0.010 0.000 0.377 484 R C 0.123 176.567 176.300 0.241 0.000 1.158 484 R CA 0.766 56.974 56.100 0.180 0.000 1.035 484 R CB -2.112 28.196 30.300 0.014 0.000 1.557 484 R HN 0.495 nan 8.270 nan 0.000 0.551 485 A N 0.626 123.652 122.820 0.344 0.000 2.561 485 A HA 0.398 4.711 4.320 -0.010 0.000 0.234 485 A C 1.779 179.487 177.584 0.207 0.000 1.055 485 A CA 1.201 53.339 52.037 0.168 0.000 0.756 485 A CB -0.032 18.938 19.000 -0.050 0.000 0.986 485 A HN 1.037 nan 8.150 nan 0.000 0.505 486 G N 0.780 109.633 108.800 0.088 0.000 2.234 486 G HA2 0.269 4.223 3.960 -0.010 0.000 0.260 486 G HA3 0.269 4.223 3.960 -0.010 0.000 0.260 486 G C 1.657 176.564 174.900 0.012 0.000 0.987 486 G CA 0.775 45.916 45.100 0.067 0.000 0.625 486 G HN 3.226 nan 8.290 nan 0.000 0.532 487 G N -1.158 107.637 108.800 -0.008 0.000 2.612 487 G HA2 0.300 4.254 3.960 -0.010 0.000 0.686 487 G HA3 0.300 4.254 3.960 -0.010 0.000 0.686 487 G C -0.544 174.242 174.900 -0.190 0.000 1.274 487 G CA 0.272 45.332 45.100 -0.066 0.000 0.849 487 G HN 0.945 nan 8.290 nan 0.000 0.595 488 E N -0.937 119.131 120.200 -0.220 0.000 2.280 488 E HA 0.513 4.857 4.350 -0.010 0.000 0.261 488 E C -0.087 176.366 176.600 -0.244 0.000 1.088 488 E CA -0.317 55.802 56.400 -0.468 0.000 0.915 488 E CB 0.655 29.898 29.700 -0.763 0.000 1.141 488 E HN 0.794 nan 8.360 nan 0.000 0.433 489 W N 0.075 121.351 121.300 -0.040 0.000 4.435 489 W HA -0.222 4.431 4.660 -0.011 0.000 0.351 489 W C 0.975 177.571 176.519 0.127 0.000 1.319 489 W CA 0.139 57.498 57.345 0.024 0.000 0.791 489 W CB -1.797 27.642 29.460 -0.035 0.000 2.419 489 W HN 0.923 nan 8.180 nan 0.000 1.406 490 G N -1.588 107.302 108.800 0.151 0.000 2.136 490 G HA2 -0.093 3.861 3.960 -0.010 0.000 0.242 490 G HA3 -0.093 3.861 3.960 -0.010 0.000 0.242 490 G C 1.068 175.990 174.900 0.036 0.000 0.989 490 G CA 0.489 45.694 45.100 0.174 0.000 0.682 490 G HN 1.244 nan 8.290 nan 0.000 0.522 491 A N 0.211 123.004 122.820 -0.045 0.000 1.902 491 A HA 0.257 4.571 4.320 -0.010 0.000 0.217 491 A C -0.355 177.084 177.584 -0.241 0.000 1.181 491 A CA 1.840 53.765 52.037 -0.186 0.000 0.623 491 A CB -0.618 18.338 19.000 -0.073 0.000 0.818 491 A HN 0.556 nan 8.150 nan 0.000 0.443 492 P HA 0.417 nan 4.420 nan 0.000 0.293 492 P C -1.143 176.171 177.300 0.025 0.000 1.313 492 P CA 0.023 63.130 63.100 0.011 0.000 0.787 492 P CB 1.161 32.955 31.700 0.156 0.000 0.910 493 K N 4.359 124.705 120.400 -0.090 0.000 2.378 493 K HA 0.515 4.828 4.320 -0.010 0.000 0.252 493 K C -2.473 174.039 176.600 -0.145 0.000 0.931 493 K CA -2.251 53.908 56.287 -0.212 0.000 0.794 493 K CB 1.860 34.190 32.500 -0.283 0.000 1.181 493 K HN 0.318 nan 8.250 nan 0.000 0.425 494 P HA 0.012 nan 4.420 nan 0.000 0.275 494 P C -0.772 176.484 177.300 -0.073 0.000 1.228 494 P CA -0.204 62.852 63.100 -0.074 0.000 0.786 494 P CB 0.564 32.206 31.700 -0.097 0.000 0.927 495 D N 2.176 122.548 120.400 -0.046 0.000 2.608 495 D HA 0.249 4.883 4.640 -0.010 0.000 0.224 495 D C -0.389 175.867 176.300 -0.073 0.000 1.123 495 D CA -0.194 53.781 54.000 -0.042 0.000 1.030 495 D CB -0.797 39.992 40.800 -0.018 0.000 1.093 495 D HN 0.151 nan 8.370 nan 0.000 0.497 496 V N -0.146 119.730 119.914 -0.063 0.000 3.114 496 V HA 0.595 4.709 4.120 -0.010 0.000 0.308 496 V C 0.632 176.783 176.094 0.095 0.000 1.168 496 V CA -0.939 61.330 62.300 -0.052 0.000 1.015 496 V CB 2.167 33.860 31.823 -0.217 0.000 1.050 496 V HN 0.139 nan 8.190 nan 0.000 0.433 497 R N 0.908 121.539 120.500 0.218 0.000 2.225 497 R HA 0.228 4.562 4.340 -0.010 0.000 0.194 497 R C 0.117 176.610 176.300 0.322 0.000 0.949 497 R CA 0.205 56.439 56.100 0.223 0.000 1.088 497 R CB 0.500 30.930 30.300 0.217 0.000 1.106 497 R HN 0.761 nan 8.270 nan 0.000 0.566 498 W N 2.648 124.134 121.300 0.310 0.000 2.430 498 W HA 0.275 4.928 4.660 -0.010 0.000 0.380 498 W C -1.071 175.689 176.519 0.402 0.000 1.045 498 W CA -0.060 57.507 57.345 0.369 0.000 1.547 498 W CB 0.558 30.353 29.460 0.560 0.000 1.554 498 W HN -0.265 nan 8.180 nan 0.000 0.378 499 V N 5.897 126.139 119.914 0.547 0.000 2.567 499 V HA 0.872 4.986 4.120 -0.010 0.000 0.298 499 V C 0.264 176.498 176.094 0.233 0.000 1.047 499 V CA -0.223 62.379 62.300 0.503 0.000 0.880 499 V CB 0.909 32.935 31.823 0.338 0.000 1.009 499 V HN 0.653 nan 8.190 nan 0.000 0.429 500 G N 2.881 111.839 108.800 0.263 0.000 2.398 500 G HA2 0.704 4.658 3.960 -0.010 0.000 0.251 500 G HA3 0.704 4.658 3.960 -0.010 0.000 0.251 500 G C -0.326 174.653 174.900 0.131 0.000 1.277 500 G CA 0.613 45.758 45.100 0.076 0.000 0.927 500 G HN 1.591 nan 8.290 nan 0.000 0.477 501 G N -1.744 107.059 108.800 0.006 0.000 2.325 501 G HA2 0.820 4.774 3.960 -0.010 0.000 0.295 501 G HA3 0.820 4.774 3.960 -0.010 0.000 0.295 501 G C -1.226 173.673 174.900 -0.001 0.000 1.274 501 G CA 0.896 46.037 45.100 0.068 0.000 0.857 501 G HN 2.270 nan 8.290 nan 0.000 0.499 502 A N -1.038 121.793 122.820 0.018 0.000 2.486 502 A HA 0.941 5.255 4.320 -0.010 0.000 0.300 502 A C -0.549 177.019 177.584 -0.028 0.000 1.048 502 A CA 0.128 52.157 52.037 -0.013 0.000 0.696 502 A CB 2.063 21.071 19.000 0.013 0.000 1.278 502 A HN 1.735 nan 8.150 nan 0.000 0.405 503 T N -0.203 114.319 114.554 -0.053 0.000 2.916 503 T HA 0.495 4.839 4.350 -0.010 0.000 0.305 503 T C -0.687 173.982 174.700 -0.052 0.000 1.119 503 T CA 0.109 62.167 62.100 -0.070 0.000 1.008 503 T CB 1.402 70.217 68.868 -0.089 0.000 1.129 503 T HN 0.753 nan 8.240 nan 0.000 0.480 504 D N 1.251 121.630 120.400 -0.034 0.000 2.349 504 D HA 0.284 4.917 4.640 -0.010 0.000 0.214 504 D C 1.437 177.703 176.300 -0.057 0.000 1.063 504 D CA 0.701 54.678 54.000 -0.038 0.000 0.847 504 D CB -0.086 40.705 40.800 -0.015 0.000 0.933 504 D HN 1.066 nan 8.370 nan 0.000 0.513 505 G N 0.377 109.145 108.800 -0.054 0.000 2.195 505 G HA2 -0.314 3.640 3.960 -0.010 0.000 0.224 505 G HA3 -0.314 3.640 3.960 -0.010 0.000 0.224 505 G C 0.707 175.572 174.900 -0.060 0.000 0.990 505 G CA 0.402 45.470 45.100 -0.054 0.000 0.639 505 G HN 0.493 nan 8.290 nan 0.000 0.514 506 E N -1.648 118.477 120.200 -0.124 0.000 2.713 506 E HA 0.390 4.734 4.350 -0.010 0.000 0.201 506 E C 0.097 176.525 176.600 -0.286 0.000 0.935 506 E CA -0.295 55.921 56.400 -0.306 0.000 1.273 506 E CB 0.570 29.942 29.700 -0.548 0.000 1.221 506 E HN 0.352 nan 8.360 nan 0.000 0.547 507 Y N 0.063 120.440 120.300 0.128 0.000 2.602 507 Y HA 0.778 5.322 4.550 -0.009 0.000 0.330 507 Y C -0.101 175.742 175.900 -0.095 0.000 1.114 507 Y CA -0.784 57.387 58.100 0.118 0.000 1.182 507 Y CB 1.954 40.491 38.460 0.129 0.000 1.305 507 Y HN 0.137 nan 8.280 nan 0.000 0.502 508 A N 0.144 123.003 122.820 0.066 0.000 2.589 508 A HA 0.835 5.149 4.320 -0.010 0.000 0.296 508 A C -1.755 175.903 177.584 0.124 0.000 1.062 508 A CA -0.501 51.475 52.037 -0.101 0.000 0.686 508 A CB 0.814 19.327 19.000 -0.812 0.000 1.282 508 A HN 0.982 nan 8.150 nan 0.000 0.404 509 A N 1.021 123.903 122.820 0.103 0.000 2.271 509 A HA 0.687 5.001 4.320 -0.010 0.000 0.317 509 A C -0.666 176.950 177.584 0.054 0.000 1.245 509 A CA -0.410 51.657 52.037 0.050 0.000 0.857 509 A CB 0.478 19.584 19.000 0.177 0.000 1.175 509 A HN 1.428 nan 8.150 nan 0.000 0.512 510 V N 1.724 121.679 119.914 0.069 0.000 2.735 510 V HA 0.849 4.963 4.120 -0.010 0.000 0.310 510 V C 0.541 176.848 176.094 0.355 0.000 1.061 510 V CA -0.111 62.360 62.300 0.285 0.000 0.913 510 V CB 2.097 34.180 31.823 0.433 0.000 1.005 510 V HN 1.213 nan 8.190 nan 0.000 0.428 511 G N 2.427 111.527 108.800 0.499 0.000 2.638 511 G HA2 0.654 4.608 3.960 -0.010 0.000 0.302 511 G HA3 0.654 4.608 3.960 -0.010 0.000 0.302 511 G C -1.577 173.792 174.900 0.782 0.000 1.365 511 G CA -0.482 44.895 45.100 0.461 0.000 0.987 511 G HN 0.615 nan 8.290 nan 0.000 0.495 512 Q N 0.480 120.754 119.800 0.790 0.000 2.290 512 Q HA 0.262 4.596 4.340 -0.010 0.000 0.269 512 Q C -1.085 175.210 176.000 0.492 0.000 1.016 512 Q CA -0.749 55.471 55.803 0.695 0.000 0.754 512 Q CB 1.298 30.428 28.738 0.655 0.000 1.247 512 Q HN 0.831 nan 8.270 nan 0.000 0.451 513 H N 5.023 124.291 119.070 0.329 0.000 3.015 513 H HA 0.190 4.740 4.556 -0.010 0.000 0.268 513 H C -1.026 174.338 175.328 0.059 0.000 1.113 513 H CA -0.570 55.446 56.048 -0.055 0.000 1.479 513 H CB 0.606 30.398 29.762 0.051 0.000 1.493 513 H HN 0.455 nan 8.280 nan 0.000 0.486 514 L N 5.796 127.131 121.223 0.187 0.000 2.289 514 L HA 0.322 4.656 4.340 -0.010 0.000 0.285 514 L C -0.953 175.961 176.870 0.073 0.000 1.049 514 L CA -0.257 54.671 54.840 0.146 0.000 0.804 514 L CB 1.061 43.219 42.059 0.165 0.000 1.195 514 L HN 0.584 nan 8.230 nan 0.000 0.428 515 K N 3.892 124.337 120.400 0.076 0.000 2.413 515 K HA 0.602 4.915 4.320 -0.010 0.000 0.257 515 K C -0.186 176.528 176.600 0.190 0.000 0.946 515 K CA -0.691 55.648 56.287 0.085 0.000 0.823 515 K CB 1.655 34.169 32.500 0.023 0.000 1.109 515 K HN 0.861 nan 8.250 nan 0.000 0.427 516 G N 2.202 111.075 108.800 0.121 0.000 2.527 516 G HA2 0.190 4.144 3.960 -0.010 0.000 0.248 516 G HA3 0.190 4.144 3.960 -0.010 0.000 0.248 516 G C -0.496 174.402 174.900 -0.003 0.000 1.231 516 G CA -0.590 44.573 45.100 0.106 0.000 0.838 516 G HN 0.579 nan 8.290 nan 0.000 0.570 517 L N 1.591 122.710 121.223 -0.174 0.000 2.410 517 L HA 0.451 4.784 4.340 -0.010 0.000 0.273 517 L C 1.374 178.149 176.870 -0.158 0.000 1.144 517 L CA 1.209 55.849 54.840 -0.333 0.000 0.863 517 L CB 0.606 42.343 42.059 -0.538 0.000 1.140 517 L HN 1.101 nan 8.230 nan 0.000 0.463 518 G N 2.556 111.284 108.800 -0.120 0.000 2.179 518 G HA2 -0.282 3.672 3.960 -0.010 0.000 0.257 518 G HA3 -0.282 3.672 3.960 -0.010 0.000 0.257 518 G C 0.068 174.922 174.900 -0.076 0.000 1.010 518 G CA 0.434 45.466 45.100 -0.113 0.000 0.736 518 G HN 0.973 nan 8.290 nan 0.000 0.513 519 S N -2.091 113.585 115.700 -0.040 0.000 2.607 519 S HA 0.722 5.186 4.470 -0.010 0.000 0.273 519 S C 1.093 175.690 174.600 -0.005 0.000 1.148 519 S CA 0.961 59.148 58.200 -0.021 0.000 0.833 519 S CB 1.260 64.458 63.200 -0.003 0.000 1.130 519 S HN 1.166 nan 8.310 nan 0.000 0.470 520 T N 1.020 115.571 114.554 -0.005 0.000 3.107 520 T HA 0.231 4.575 4.350 -0.010 0.000 0.249 520 T C 0.768 175.472 174.700 0.006 0.000 1.096 520 T CA -0.099 62.001 62.100 0.001 0.000 1.012 520 T CB -0.477 68.389 68.868 -0.004 0.000 0.977 520 T HN 0.501 nan 8.240 nan 0.000 0.527 521 L N 2.341 123.570 121.223 0.009 0.000 2.615 521 L HA 0.253 4.587 4.340 -0.010 0.000 0.284 521 L C 0.094 176.977 176.870 0.022 0.000 1.237 521 L CA 0.696 55.544 54.840 0.013 0.000 0.905 521 L CB 0.025 42.096 42.059 0.021 0.000 1.149 521 L HN 0.375 nan 8.230 nan 0.000 0.499 522 E N 3.715 123.920 120.200 0.008 0.000 2.317 522 E HA 0.824 5.168 4.350 -0.010 0.000 0.270 522 E C -1.716 174.869 176.600 -0.024 0.000 0.885 522 E CA -0.639 55.773 56.400 0.021 0.000 0.760 522 E CB 1.791 31.512 29.700 0.035 0.000 1.227 522 E HN 0.895 nan 8.360 nan 0.000 0.434 523 A N 2.918 125.721 122.820 -0.028 0.000 2.608 523 A HA 0.641 4.955 4.320 -0.010 0.000 0.292 523 A C -1.666 175.777 177.584 -0.234 0.000 1.066 523 A CA -0.889 51.071 52.037 -0.129 0.000 0.676 523 A CB 1.602 20.562 19.000 -0.068 0.000 1.277 523 A HN 0.472 nan 8.150 nan 0.000 0.413 524 R N 1.319 121.568 120.500 -0.418 0.000 2.310 524 R HA 0.506 4.840 4.340 -0.010 0.000 0.324 524 R C -1.139 174.972 176.300 -0.316 0.000 0.955 524 R CA -0.275 55.432 56.100 -0.654 0.000 0.830 524 R CB 1.323 30.921 30.300 -1.169 0.000 1.154 524 R HN 0.680 nan 8.270 nan 0.000 0.458 525 K N 1.166 121.469 120.400 -0.163 0.000 2.292 525 K HA 0.501 4.815 4.320 -0.010 0.000 0.257 525 K C -0.474 175.876 176.600 -0.418 0.000 0.940 525 K CA -0.431 55.662 56.287 -0.324 0.000 0.811 525 K CB 2.321 34.634 32.500 -0.312 0.000 1.120 525 K HN 0.367 nan 8.250 nan 0.000 0.428 526 S N 1.293 116.601 115.700 -0.654 0.000 2.599 526 S HA 0.580 5.044 4.470 -0.010 0.000 0.294 526 S C -1.490 172.582 174.600 -0.879 0.000 1.094 526 S CA -0.841 57.018 58.200 -0.569 0.000 0.931 526 S CB 1.180 64.138 63.200 -0.403 0.000 1.093 526 S HN 0.444 nan 8.310 nan 0.000 0.488 527 W N 1.573 122.556 121.300 -0.528 0.000 3.097 527 W HA 0.449 5.103 4.660 -0.010 0.000 0.335 527 W C -2.088 173.945 176.519 -0.810 0.000 1.114 527 W CA -0.660 56.366 57.345 -0.531 0.000 1.231 527 W CB 1.296 30.533 29.460 -0.372 0.000 1.388 527 W HN 0.509 nan 8.180 nan 0.000 0.485 528 F N 2.549 122.444 119.950 -0.092 0.000 2.382 528 F HA 0.375 4.896 4.527 -0.011 0.000 0.361 528 F C -0.307 175.402 175.800 -0.151 0.000 1.109 528 F CA -0.790 57.179 58.000 -0.052 0.000 1.031 528 F CB 0.581 39.537 39.000 -0.074 0.000 1.234 528 F HN -0.004 nan 8.300 nan 0.000 0.445 529 F N 4.800 124.796 119.950 0.076 0.000 2.404 529 F HA 0.444 4.965 4.527 -0.010 0.000 0.359 529 F C 0.283 176.160 175.800 0.128 0.000 1.134 529 F CA -0.265 57.664 58.000 -0.119 0.000 1.160 529 F CB 0.267 38.884 39.000 -0.639 0.000 1.186 529 F HN 0.271 nan 8.300 nan 0.000 0.526 530 L N 2.254 123.712 121.223 0.393 0.000 2.558 530 L HA 0.370 4.704 4.340 -0.010 0.000 0.260 530 L C 1.451 178.669 176.870 0.580 0.000 1.130 530 L CA -0.862 54.153 54.840 0.291 0.000 1.049 530 L CB 0.527 42.679 42.059 0.155 0.000 1.758 530 L HN 0.411 nan 8.230 nan 0.000 0.555 531 D N -0.517 120.094 120.400 0.352 0.000 2.194 531 D HA -0.148 4.486 4.640 -0.010 0.000 0.204 531 D C 0.374 176.866 176.300 0.320 0.000 0.964 531 D CA 1.224 55.473 54.000 0.415 0.000 0.846 531 D CB -0.026 40.943 40.800 0.281 0.000 0.962 531 D HN 0.724 nan 8.370 nan 0.000 0.490 532 D N -0.253 120.336 120.400 0.316 0.000 2.651 532 D HA 0.426 5.060 4.640 -0.010 0.000 0.280 532 D C -0.207 176.291 176.300 0.330 0.000 1.496 532 D CA -0.577 53.635 54.000 0.353 0.000 0.792 532 D CB 0.285 41.173 40.800 0.147 0.000 1.144 532 D HN 0.286 nan 8.370 nan 0.000 0.470 533 A N -0.617 122.432 122.820 0.382 0.000 2.610 533 A HA 0.692 5.006 4.320 -0.010 0.000 0.291 533 A C -1.776 175.939 177.584 0.217 0.000 1.086 533 A CA -0.719 51.406 52.037 0.146 0.000 0.677 533 A CB 1.766 20.830 19.000 0.106 0.000 1.278 533 A HN 0.148 nan 8.150 nan 0.000 0.414 534 V N 1.021 120.959 119.914 0.040 0.000 2.443 534 V HA 0.443 4.557 4.120 -0.010 0.000 0.293 534 V C -0.391 175.704 176.094 0.001 0.000 1.021 534 V CA -0.620 61.651 62.300 -0.048 0.000 0.848 534 V CB 1.418 33.137 31.823 -0.173 0.000 0.998 534 V HN 0.706 nan 8.190 nan 0.000 0.424 535 V N 3.860 123.804 119.914 0.050 0.000 2.461 535 V HA 0.248 4.362 4.120 -0.010 0.000 0.275 535 V C 0.098 176.170 176.094 -0.038 0.000 1.047 535 V CA -0.179 62.158 62.300 0.061 0.000 0.955 535 V CB 1.122 33.003 31.823 0.097 0.000 0.988 535 V HN 1.000 nan 8.190 nan 0.000 0.471 536 C N 7.048 126.201 119.300 -0.246 0.000 2.301 536 C HA 0.655 5.109 4.460 -0.010 0.000 0.323 536 C C -0.199 174.663 174.990 -0.212 0.000 1.265 536 C CA -0.842 57.916 59.018 -0.434 0.000 1.503 536 C CB 0.213 27.388 27.740 -0.942 0.000 2.195 536 C HN 0.612 nan 8.230 nan 0.000 0.477 537 L N 3.236 124.310 121.223 -0.250 0.000 2.307 537 L HA 0.807 5.141 4.340 -0.010 0.000 0.284 537 L C 0.604 177.034 176.870 -0.734 0.000 1.023 537 L CA 0.372 55.013 54.840 -0.333 0.000 0.810 537 L CB 1.455 43.446 42.059 -0.113 0.000 1.231 537 L HN 0.862 nan 8.230 nan 0.000 0.423 538 G N 1.669 109.645 108.800 -1.373 0.000 2.566 538 G HA2 0.857 4.810 3.960 -0.010 0.000 0.311 538 G HA3 0.857 4.810 3.960 -0.010 0.000 0.311 538 G C -1.575 172.920 174.900 -0.675 0.000 1.322 538 G CA -0.115 44.192 45.100 -1.323 0.000 0.969 538 G HN 0.860 nan 8.290 nan 0.000 0.490 539 A N 0.281 122.846 122.820 -0.424 0.000 2.599 539 A HA 0.864 5.177 4.320 -0.010 0.000 0.290 539 A C 0.699 178.111 177.584 -0.286 0.000 1.101 539 A CA 0.214 52.073 52.037 -0.297 0.000 0.674 539 A CB 0.869 19.731 19.000 -0.229 0.000 1.277 539 A HN 2.568 nan 8.150 nan 0.000 0.419 540 G N -0.321 108.343 108.800 -0.227 0.000 2.283 540 G HA2 -0.187 3.767 3.960 -0.010 0.000 0.280 540 G HA3 -0.187 3.767 3.960 -0.010 0.000 0.280 540 G C 0.033 174.819 174.900 -0.190 0.000 1.029 540 G CA 0.561 45.533 45.100 -0.213 0.000 0.840 540 G HN 1.045 nan 8.290 nan 0.000 0.505 541 I N 2.193 122.649 120.570 -0.190 0.000 2.406 541 I HA 0.328 4.492 4.170 -0.010 0.000 0.293 541 I C 0.984 177.028 176.117 -0.122 0.000 1.101 541 I CA 0.675 61.865 61.300 -0.184 0.000 1.334 541 I CB 0.382 38.194 38.000 -0.314 0.000 1.421 541 I HN 0.314 nan 8.210 nan 0.000 0.513 542 T N 2.525 117.028 114.554 -0.084 0.000 2.893 542 T HA 0.667 5.011 4.350 -0.010 0.000 0.293 542 T C -0.822 173.859 174.700 -0.030 0.000 1.027 542 T CA -0.761 61.308 62.100 -0.051 0.000 0.988 542 T CB 1.939 70.778 68.868 -0.048 0.000 1.043 542 T HN 0.599 nan 8.240 nan 0.000 0.461 543 C N 1.564 120.853 119.300 -0.018 0.000 3.239 543 C HA 0.832 5.286 4.460 -0.010 0.000 0.329 543 C C 0.110 175.095 174.990 -0.008 0.000 1.252 543 C CA 0.081 59.093 59.018 -0.009 0.000 1.323 543 C CB 0.884 28.622 27.740 -0.003 0.000 1.663 543 C HN 1.336 nan 8.230 nan 0.000 0.487 544 A N 2.323 125.138 122.820 -0.008 0.000 2.616 544 A HA 0.331 4.645 4.320 -0.010 0.000 0.294 544 A C 0.463 178.040 177.584 -0.013 0.000 1.091 544 A CA 0.105 52.136 52.037 -0.009 0.000 0.971 544 A CB -0.174 18.821 19.000 -0.008 0.000 1.222 544 A HN 0.826 nan 8.150 nan 0.000 0.521 545 D N 0.161 120.553 120.400 -0.015 0.000 2.363 545 D HA 0.181 4.815 4.640 -0.010 0.000 0.220 545 D C 1.564 177.850 176.300 -0.025 0.000 0.994 545 D CA 1.487 55.474 54.000 -0.022 0.000 0.890 545 D CB 0.177 40.961 40.800 -0.026 0.000 0.906 545 D HN 0.731 nan 8.370 nan 0.000 0.530 546 G N 0.274 109.063 108.800 -0.020 0.000 2.143 546 G HA2 -0.206 3.747 3.960 -0.010 0.000 0.248 546 G HA3 -0.206 3.747 3.960 -0.010 0.000 0.248 546 G C 0.396 175.280 174.900 -0.025 0.000 0.991 546 G CA 0.714 45.802 45.100 -0.021 0.000 0.689 546 G HN 0.544 nan 8.290 nan 0.000 0.522 547 V N -4.747 115.152 119.914 -0.026 0.000 3.181 547 V HA 0.953 5.067 4.120 -0.010 0.000 0.308 547 V C -2.690 173.392 176.094 -0.019 0.000 1.214 547 V CA -2.723 59.557 62.300 -0.033 0.000 1.053 547 V CB 1.893 33.682 31.823 -0.056 0.000 1.069 547 V HN 0.008 nan 8.190 nan 0.000 0.441 548 P HA 0.415 nan 4.420 nan 0.000 0.272 548 P C -0.882 176.426 177.300 0.014 0.000 1.223 548 P CA -0.088 63.014 63.100 0.005 0.000 0.784 548 P CB 0.913 32.613 31.700 -0.000 0.000 0.923 549 V N 2.676 122.629 119.914 0.065 0.000 2.513 549 V HA 0.364 4.478 4.120 -0.010 0.000 0.299 549 V C 0.143 176.346 176.094 0.181 0.000 1.035 549 V CA -0.349 62.014 62.300 0.106 0.000 0.889 549 V CB 1.497 33.394 31.823 0.124 0.000 0.988 549 V HN 0.519 nan 8.190 nan 0.000 0.440 550 E N 1.510 121.804 120.200 0.157 0.000 2.317 550 E HA 0.563 4.907 4.350 -0.010 0.000 0.270 550 E C -1.225 175.482 176.600 0.179 0.000 0.885 550 E CA -0.711 55.766 56.400 0.129 0.000 0.760 550 E CB 2.476 32.171 29.700 -0.009 0.000 1.227 550 E HN 0.593 nan 8.360 nan 0.000 0.434 551 T N 1.290 115.918 114.554 0.123 0.000 2.779 551 T HA 0.262 4.606 4.350 -0.010 0.000 0.280 551 T C -0.403 174.274 174.700 -0.037 0.000 0.987 551 T CA -0.591 61.553 62.100 0.072 0.000 0.966 551 T CB 1.013 69.892 68.868 0.020 0.000 0.933 551 T HN 0.121 nan 8.240 nan 0.000 0.442 552 V N 5.270 125.173 119.914 -0.020 0.000 2.339 552 V HA 0.088 4.202 4.120 -0.010 0.000 0.261 552 V C 1.528 177.526 176.094 -0.159 0.000 1.058 552 V CA -0.144 62.135 62.300 -0.035 0.000 0.897 552 V CB 0.521 32.347 31.823 0.006 0.000 1.052 552 V HN 0.837 nan 8.190 nan 0.000 0.480 553 V N 2.796 122.483 119.914 -0.378 0.000 2.295 553 V HA -0.074 4.040 4.120 -0.010 0.000 0.246 553 V C 0.854 176.669 176.094 -0.465 0.000 1.049 553 V CA 1.897 63.731 62.300 -0.777 0.000 1.024 553 V CB -0.227 31.064 31.823 -0.887 0.000 0.648 553 V HN 0.977 nan 8.190 nan 0.000 0.447 554 D N -2.204 117.968 120.400 -0.379 0.000 2.671 554 D HA 0.286 4.920 4.640 -0.010 0.000 0.273 554 D C -1.750 174.499 176.300 -0.085 0.000 1.264 554 D CA -0.488 53.442 54.000 -0.116 0.000 0.788 554 D CB 1.879 42.681 40.800 0.003 0.000 1.324 554 D HN 0.087 nan 8.370 nan 0.000 0.424 555 N N 1.121 119.851 118.700 0.050 0.000 2.549 555 N HA 0.297 5.030 4.740 -0.010 0.000 0.290 555 N C -1.638 173.992 175.510 0.200 0.000 1.122 555 N CA -0.391 52.713 53.050 0.090 0.000 0.885 555 N CB 1.254 39.757 38.487 0.028 0.000 1.455 555 N HN 0.194 nan 8.380 nan 0.000 0.521 556 R N 1.879 122.457 120.500 0.130 0.000 2.599 556 R HA 0.370 4.704 4.340 -0.010 0.000 0.295 556 R C -0.478 175.620 176.300 -0.337 0.000 0.963 556 R CA -0.846 55.218 56.100 -0.059 0.000 0.883 556 R CB 1.021 31.233 30.300 -0.147 0.000 1.171 556 R HN 0.577 nan 8.270 nan 0.000 0.450 557 N N 2.714 120.993 118.700 -0.702 0.000 2.470 557 N HA 0.083 4.816 4.740 -0.010 0.000 0.268 557 N C 0.421 175.592 175.510 -0.565 0.000 1.136 557 N CA 0.009 52.321 53.050 -1.231 0.000 0.961 557 N CB 0.703 38.550 38.487 -1.068 0.000 1.067 557 N HN 0.603 nan 8.380 nan 0.000 0.468 558 L N 2.223 123.125 121.223 -0.534 0.000 2.640 558 L HA 0.372 4.706 4.340 -0.010 0.000 0.230 558 L C 1.215 177.973 176.870 -0.185 0.000 1.123 558 L CA 0.077 54.763 54.840 -0.257 0.000 0.900 558 L CB -0.857 41.073 42.059 -0.215 0.000 1.146 558 L HN 0.831 nan 8.230 nan 0.000 0.484 559 G N 1.270 109.913 108.800 -0.262 0.000 2.756 559 G HA2 -0.250 3.704 3.960 -0.010 0.000 0.678 559 G HA3 -0.250 3.704 3.960 -0.010 0.000 0.678 559 G C -0.442 174.368 174.900 -0.149 0.000 1.349 559 G CA -0.636 44.370 45.100 -0.157 0.000 0.847 559 G HN 0.236 nan 8.290 nan 0.000 0.548 560 E N 0.586 120.722 120.200 -0.106 0.000 2.351 560 E HA 0.415 4.759 4.350 -0.010 0.000 0.266 560 E C 1.442 178.000 176.600 -0.071 0.000 1.031 560 E CA 0.891 57.234 56.400 -0.094 0.000 0.911 560 E CB -0.255 29.390 29.700 -0.092 0.000 0.986 560 E HN 2.376 nan 8.360 nan 0.000 0.446 561 G N 3.422 112.184 108.800 -0.064 0.000 2.225 561 G HA2 -0.281 3.673 3.960 -0.010 0.000 0.267 561 G HA3 -0.281 3.673 3.960 -0.010 0.000 0.267 561 G C 0.494 175.370 174.900 -0.040 0.000 1.024 561 G CA 0.025 45.098 45.100 -0.045 0.000 0.784 561 G HN 0.839 nan 8.290 nan 0.000 0.507 562 G N -0.630 108.136 108.800 -0.056 0.000 2.414 562 G HA2 0.502 4.456 3.960 -0.010 0.000 0.236 562 G HA3 0.502 4.456 3.960 -0.010 0.000 0.236 562 G C 0.953 175.838 174.900 -0.025 0.000 1.293 562 G CA 0.952 46.026 45.100 -0.043 0.000 0.869 562 G HN 1.377 nan 8.290 nan 0.000 0.556 563 T N -0.936 113.615 114.554 -0.005 0.000 3.288 563 T HA 0.237 4.581 4.350 -0.010 0.000 0.293 563 T C 0.423 175.137 174.700 0.022 0.000 1.008 563 T CA -0.417 61.686 62.100 0.005 0.000 0.929 563 T CB 0.163 69.037 68.868 0.009 0.000 1.152 563 T HN 0.441 nan 8.240 nan 0.000 0.517 564 Q N 2.166 121.982 119.800 0.027 0.000 2.269 564 Q HA 0.505 4.839 4.340 -0.010 0.000 0.300 564 Q C 0.299 176.331 176.000 0.052 0.000 1.070 564 Q CA 0.228 56.063 55.803 0.054 0.000 0.957 564 Q CB 0.242 29.013 28.738 0.056 0.000 1.131 564 Q HN 0.634 nan 8.270 nan 0.000 0.377 565 A N 2.849 125.719 122.820 0.084 0.000 2.401 565 A HA 0.405 4.719 4.320 -0.010 0.000 0.259 565 A C -0.783 176.873 177.584 0.120 0.000 1.103 565 A CA -0.518 51.574 52.037 0.091 0.000 0.789 565 A CB 0.296 19.358 19.000 0.104 0.000 1.035 565 A HN 0.640 nan 8.150 nan 0.000 0.491 566 L N 4.073 125.354 121.223 0.097 0.000 2.265 566 L HA 0.557 4.891 4.340 -0.010 0.000 0.289 566 L C -0.612 176.336 176.870 0.130 0.000 1.033 566 L CA 0.032 54.947 54.840 0.124 0.000 0.814 566 L CB 1.294 43.392 42.059 0.065 0.000 1.203 566 L HN 0.410 nan 8.230 nan 0.000 0.423 567 V N 5.974 126.018 119.914 0.218 0.000 2.483 567 V HA 0.601 4.715 4.120 -0.010 0.000 0.295 567 V C 0.089 176.229 176.094 0.077 0.000 1.035 567 V CA -0.698 61.712 62.300 0.183 0.000 0.896 567 V CB 1.741 33.748 31.823 0.307 0.000 0.986 567 V HN 0.699 nan 8.190 nan 0.000 0.447 568 R N 1.816 122.219 120.500 -0.161 0.000 2.670 568 R HA 0.771 5.105 4.340 -0.010 0.000 0.289 568 R C 0.043 175.846 176.300 -0.828 0.000 0.965 568 R CA -0.435 55.392 56.100 -0.456 0.000 0.899 568 R CB 2.345 32.478 30.300 -0.279 0.000 1.173 568 R HN 0.917 nan 8.270 nan 0.000 0.456 569 G N 0.031 107.980 108.800 -1.417 0.000 3.140 569 G HA2 0.180 4.134 3.960 -0.010 0.000 0.271 569 G HA3 0.180 4.134 3.960 -0.010 0.000 0.271 569 G C 0.055 174.553 174.900 -0.670 0.000 1.370 569 G CA -0.577 43.797 45.100 -1.210 0.000 1.014 569 G HN 0.579 nan 8.290 nan 0.000 0.541 570 R N -1.209 119.104 120.500 -0.311 0.000 2.103 570 R HA -0.129 4.205 4.340 -0.010 0.000 0.242 570 R C 0.892 177.168 176.300 -0.039 0.000 1.142 570 R CA 2.026 58.071 56.100 -0.092 0.000 0.960 570 R CB -0.222 30.118 30.300 0.067 0.000 0.858 570 R HN 0.625 nan 8.270 nan 0.000 0.439 571 H N -1.015 118.018 119.070 -0.063 0.000 2.750 571 H HA 0.179 4.729 4.556 -0.010 0.000 0.239 571 H C -1.440 174.036 175.328 0.245 0.000 1.210 571 H CA -0.583 55.524 56.048 0.099 0.000 0.936 571 H CB 0.243 30.119 29.762 0.191 0.000 2.074 571 H HN 0.280 nan 8.280 nan 0.000 0.622 572 W N -0.457 120.942 121.300 0.165 0.000 3.059 572 W HA 0.750 5.404 4.660 -0.010 0.000 0.329 572 W C -2.039 174.585 176.519 0.176 0.000 1.246 572 W CA -1.104 56.358 57.345 0.196 0.000 1.190 572 W CB 0.561 30.136 29.460 0.191 0.000 1.423 572 W HN 0.074 nan 8.180 nan 0.000 0.571 573 A N 1.586 124.747 122.820 0.568 0.000 2.515 573 A HA 0.674 4.988 4.320 -0.010 0.000 0.298 573 A C -2.000 176.061 177.584 0.795 0.000 1.059 573 A CA -0.543 51.792 52.037 0.497 0.000 0.698 573 A CB 2.242 21.415 19.000 0.288 0.000 1.289 573 A HN 0.846 nan 8.150 nan 0.000 0.404 574 H N 1.730 121.149 119.070 0.581 0.000 2.771 574 H HA 0.603 5.153 4.556 -0.010 0.000 0.361 574 H C -2.222 173.321 175.328 0.358 0.000 1.108 574 H CA -0.539 55.752 56.048 0.404 0.000 1.201 574 H CB 1.777 31.733 29.762 0.324 0.000 1.681 574 H HN 0.612 nan 8.280 nan 0.000 0.534 575 L N 4.811 125.951 121.223 -0.138 0.000 2.298 575 L HA 0.271 4.605 4.340 -0.010 0.000 0.284 575 L C 0.190 177.024 176.870 -0.061 0.000 1.013 575 L CA -0.353 54.506 54.840 0.033 0.000 0.824 575 L CB 1.212 43.382 42.059 0.184 0.000 1.221 575 L HN 0.695 nan 8.230 nan 0.000 0.418 576 E N 4.206 124.496 120.200 0.151 0.000 2.465 576 E HA 0.306 4.650 4.350 -0.010 0.000 0.260 576 E C 0.970 177.723 176.600 0.255 0.000 0.980 576 E CA 1.014 57.558 56.400 0.240 0.000 0.927 576 E CB 0.327 30.152 29.700 0.208 0.000 0.934 576 E HN 0.979 nan 8.360 nan 0.000 0.459 577 G N 4.101 113.044 108.800 0.237 0.000 2.217 577 G HA2 -0.303 3.650 3.960 -0.010 0.000 0.246 577 G HA3 -0.303 3.650 3.960 -0.010 0.000 0.246 577 G C 0.558 175.541 174.900 0.138 0.000 0.990 577 G CA 0.609 45.825 45.100 0.193 0.000 0.627 577 G HN 0.729 nan 8.290 nan 0.000 0.522 578 H N -0.610 118.502 119.070 0.069 0.000 2.247 578 H HA 0.543 5.093 4.556 -0.010 0.000 0.267 578 H C 1.517 176.910 175.328 0.108 0.000 0.952 578 H CA 1.853 57.998 56.048 0.161 0.000 1.250 578 H CB 0.673 30.539 29.762 0.173 0.000 1.441 578 H HN 1.228 nan 8.280 nan 0.000 0.553 579 G N -1.611 107.119 108.800 -0.117 0.000 2.368 579 G HA2 0.428 4.381 3.960 -0.010 0.000 0.269 579 G HA3 0.428 4.381 3.960 -0.010 0.000 0.269 579 G C -0.755 173.615 174.900 -0.884 0.000 1.291 579 G CA -0.170 44.669 45.100 -0.436 0.000 0.903 579 G HN 0.692 nan 8.290 nan 0.000 0.483 580 G N -2.000 106.258 108.800 -0.903 0.000 2.749 580 G HA2 0.641 4.595 3.960 -0.010 0.000 0.300 580 G HA3 0.641 4.595 3.960 -0.010 0.000 0.300 580 G C -1.928 172.386 174.900 -0.976 0.000 1.352 580 G CA -0.497 44.033 45.100 -0.950 0.000 0.789 580 G HN 0.775 nan 8.290 nan 0.000 0.509 581 W N 0.114 121.525 121.300 0.185 0.000 2.998 581 W HA 0.498 5.152 4.660 -0.010 0.000 0.335 581 W C -0.946 175.744 176.519 0.285 0.000 1.110 581 W CA -0.780 56.690 57.345 0.209 0.000 1.230 581 W CB 1.953 31.503 29.460 0.150 0.000 1.405 581 W HN 0.259 nan 8.180 nan 0.000 0.493 582 I N 3.477 124.339 120.570 0.486 0.000 2.304 582 I HA 0.459 4.623 4.170 -0.010 0.000 0.291 582 I C -0.155 176.271 176.117 0.514 0.000 1.018 582 I CA -0.674 60.934 61.300 0.512 0.000 1.260 582 I CB 1.308 39.575 38.000 0.446 0.000 1.390 582 I HN 0.001 nan 8.210 nan 0.000 0.475 583 V N 8.251 128.398 119.914 0.387 0.000 3.023 583 V HA 0.375 4.489 4.120 -0.010 0.000 0.294 583 V C -2.625 173.238 176.094 -0.386 0.000 1.324 583 V CA -1.732 60.640 62.300 0.119 0.000 0.979 583 V CB 2.991 34.875 31.823 0.103 0.000 1.093 583 V HN 0.440 nan 8.190 nan 0.000 0.434 584 P HA 0.145 nan 4.420 nan 0.000 0.258 584 P C 0.858 177.937 177.300 -0.369 0.000 1.187 584 P CA 0.907 63.601 63.100 -0.675 0.000 0.767 584 P CB 0.689 32.218 31.700 -0.286 0.000 0.770 585 G N 3.547 112.150 108.800 -0.327 0.000 2.443 585 G HA2 -0.170 3.784 3.960 -0.010 0.000 0.219 585 G HA3 -0.170 3.784 3.960 -0.010 0.000 0.219 585 G C 1.568 176.339 174.900 -0.214 0.000 1.131 585 G CA 0.728 45.679 45.100 -0.248 0.000 0.775 585 G HN 0.583 nan 8.290 nan 0.000 0.547 586 G N 0.388 109.080 108.800 -0.181 0.000 2.494 586 G HA2 0.247 4.201 3.960 -0.010 0.000 0.216 586 G HA3 0.247 4.201 3.960 -0.010 0.000 0.216 586 G C 1.770 176.568 174.900 -0.170 0.000 1.140 586 G CA 1.149 46.157 45.100 -0.153 0.000 0.801 586 G HN 0.536 nan 8.290 nan 0.000 0.536 587 A N -0.143 122.569 122.820 -0.181 0.000 2.072 587 A HA 0.410 4.724 4.320 -0.010 0.000 0.216 587 A C 1.131 178.549 177.584 -0.277 0.000 1.156 587 A CA -0.053 51.870 52.037 -0.190 0.000 0.701 587 A CB -0.156 18.757 19.000 -0.145 0.000 0.816 587 A HN 0.378 nan 8.150 nan 0.000 0.458 588 L N 1.852 122.894 121.223 -0.302 0.000 2.462 588 L HA 0.242 4.576 4.340 -0.010 0.000 0.272 588 L C -0.105 176.453 176.870 -0.520 0.000 1.166 588 L CA 0.053 54.660 54.840 -0.389 0.000 0.880 588 L CB 0.244 42.108 42.059 -0.324 0.000 1.142 588 L HN 0.209 nan 8.230 nan 0.000 0.473 589 R N 3.279 123.285 120.500 -0.824 0.000 2.604 589 R HA 0.653 4.987 4.340 -0.010 0.000 0.287 589 R C -0.269 175.355 176.300 -1.128 0.000 0.970 589 R CA -0.336 55.084 56.100 -1.135 0.000 0.946 589 R CB 1.416 30.572 30.300 -1.907 0.000 1.127 589 R HN 0.816 nan 8.270 nan 0.000 0.473 590 T N -1.446 112.654 114.554 -0.756 0.000 2.901 590 T HA 0.739 5.083 4.350 -0.010 0.000 0.293 590 T C -0.893 173.747 174.700 -0.101 0.000 1.084 590 T CA -0.904 60.974 62.100 -0.369 0.000 1.008 590 T CB 1.679 70.401 68.868 -0.243 0.000 1.170 590 T HN 0.349 nan 8.240 nan 0.000 0.509 591 L N 0.349 121.624 121.223 0.088 0.000 2.641 591 L HA 0.654 4.987 4.340 -0.010 0.000 0.261 591 L C -1.073 175.842 176.870 0.074 0.000 0.926 591 L CA -0.533 54.386 54.840 0.133 0.000 0.917 591 L CB 2.097 44.332 42.059 0.293 0.000 1.361 591 L HN 0.995 nan 8.230 nan 0.000 0.417 592 R N 3.617 124.140 120.500 0.039 0.000 2.445 592 R HA 0.796 5.130 4.340 -0.010 0.000 0.308 592 R C -1.285 175.038 176.300 0.037 0.000 0.961 592 R CA -0.219 55.901 56.100 0.033 0.000 0.862 592 R CB 1.281 31.585 30.300 0.008 0.000 1.144 592 R HN 0.831 nan 8.270 nan 0.000 0.447 593 E N 2.396 122.631 120.200 0.059 0.000 2.390 593 E HA 0.233 4.577 4.350 -0.010 0.000 0.280 593 E C -1.586 175.063 176.600 0.082 0.000 0.992 593 E CA -1.087 55.342 56.400 0.047 0.000 0.790 593 E CB 1.413 31.125 29.700 0.020 0.000 1.248 593 E HN 0.334 nan 8.360 nan 0.000 0.447 594 D N 1.668 122.099 120.400 0.051 0.000 2.304 594 D HA 0.303 4.937 4.640 -0.010 0.000 0.250 594 D C -0.537 175.800 176.300 0.061 0.000 1.107 594 D CA -0.072 53.965 54.000 0.062 0.000 0.885 594 D CB 0.985 41.797 40.800 0.021 0.000 1.192 594 D HN 0.283 nan 8.370 nan 0.000 0.436 595 R N 0.989 121.553 120.500 0.107 0.000 2.575 595 R HA 0.450 4.784 4.340 -0.010 0.000 0.293 595 R C -0.696 175.642 176.300 0.064 0.000 0.983 595 R CA -0.686 55.445 56.100 0.051 0.000 0.887 595 R CB 2.126 32.412 30.300 -0.023 0.000 1.184 595 R HN 0.233 nan 8.270 nan 0.000 0.445 596 T N 0.977 115.549 114.554 0.030 0.000 2.829 596 T HA 0.745 5.089 4.350 -0.010 0.000 0.280 596 T C -0.245 174.485 174.700 0.050 0.000 0.999 596 T CA -0.649 61.471 62.100 0.033 0.000 0.983 596 T CB 1.936 70.812 68.868 0.014 0.000 0.968 596 T HN 0.794 nan 8.240 nan 0.000 0.446 597 G N 0.560 109.410 108.800 0.083 0.000 2.608 597 G HA2 0.734 4.688 3.960 -0.010 0.000 0.291 597 G HA3 0.734 4.688 3.960 -0.010 0.000 0.291 597 G C -1.987 173.028 174.900 0.191 0.000 1.425 597 G CA -0.467 44.697 45.100 0.107 0.000 0.787 597 G HN 0.919 nan 8.290 nan 0.000 0.484 598 A N -1.242 121.680 122.820 0.170 0.000 2.454 598 A HA 0.652 4.966 4.320 -0.010 0.000 0.302 598 A C 0.094 177.754 177.584 0.127 0.000 1.079 598 A CA -0.702 51.490 52.037 0.259 0.000 0.731 598 A CB 0.862 20.010 19.000 0.246 0.000 1.299 598 A HN 0.823 nan 8.150 nan 0.000 0.413 599 W N 1.020 122.421 121.300 0.168 0.000 2.350 599 W HA -0.197 4.457 4.660 -0.010 0.000 0.289 599 W C 2.454 179.011 176.519 0.063 0.000 1.215 599 W CA 2.046 59.422 57.345 0.051 0.000 1.236 599 W CB -0.139 29.293 29.460 -0.047 0.000 1.130 599 W HN 0.810 nan 8.180 nan 0.000 0.541 600 S N -0.503 115.371 115.700 0.290 0.000 2.442 600 S HA -0.192 4.272 4.470 -0.010 0.000 0.236 600 S C 1.226 175.895 174.600 0.115 0.000 1.007 600 S CA 1.430 59.734 58.200 0.173 0.000 0.965 600 S CB -0.549 62.738 63.200 0.146 0.000 0.773 600 S HN 0.204 nan 8.310 nan 0.000 0.504 601 D N 2.311 122.778 120.400 0.113 0.000 2.265 601 D HA -0.041 4.593 4.640 -0.010 0.000 0.208 601 D C 1.553 177.859 176.300 0.011 0.000 0.977 601 D CA 1.272 55.310 54.000 0.063 0.000 0.871 601 D CB -0.235 40.609 40.800 0.073 0.000 0.925 601 D HN 0.803 nan 8.370 nan 0.000 0.485 602 I N -4.307 116.286 120.570 0.038 0.000 4.225 602 I HA 0.311 4.475 4.170 -0.010 0.000 0.327 602 I C -0.122 175.982 176.117 -0.021 0.000 1.422 602 I CA -0.499 60.767 61.300 -0.057 0.000 1.150 602 I CB 0.512 38.503 38.000 -0.015 0.000 1.192 602 I HN -0.285 nan 8.210 nan 0.000 0.440 603 N N 1.526 120.250 118.700 0.039 0.000 2.600 603 N HA 0.087 4.820 4.740 -0.010 0.000 0.272 603 N C 0.550 176.082 175.510 0.036 0.000 1.095 603 N CA 0.389 53.458 53.050 0.031 0.000 0.993 603 N CB 2.026 40.559 38.487 0.077 0.000 1.603 603 N HN 0.178 nan 8.380 nan 0.000 0.526 604 T N -1.593 112.966 114.554 0.008 0.000 3.072 604 T HA -0.087 4.256 4.350 -0.010 0.000 0.266 604 T C 1.350 176.063 174.700 0.022 0.000 1.127 604 T CA 1.640 63.750 62.100 0.017 0.000 1.107 604 T CB -0.403 68.469 68.868 0.007 0.000 0.910 604 T HN 0.539 nan 8.240 nan 0.000 0.513 605 T N -1.190 113.374 114.554 0.017 0.000 3.145 605 T HA 0.404 4.747 4.350 -0.010 0.000 0.255 605 T C 0.443 175.156 174.700 0.022 0.000 1.039 605 T CA -0.624 61.482 62.100 0.010 0.000 0.928 605 T CB -0.045 68.817 68.868 -0.011 0.000 1.029 605 T HN 0.244 nan 8.240 nan 0.000 0.554 606 S N 2.020 117.754 115.700 0.057 0.000 2.664 606 S HA 0.629 5.093 4.470 -0.010 0.000 0.304 606 S C 0.361 175.049 174.600 0.146 0.000 1.099 606 S CA -0.795 57.458 58.200 0.089 0.000 1.003 606 S CB 1.615 64.898 63.200 0.139 0.000 1.092 606 S HN 0.673 nan 8.310 nan 0.000 0.525 607 T N -0.916 113.754 114.554 0.193 0.000 2.795 607 T HA 0.178 4.522 4.350 -0.010 0.000 0.314 607 T C 1.148 176.004 174.700 0.260 0.000 1.069 607 T CA 0.237 62.466 62.100 0.215 0.000 1.071 607 T CB 0.283 69.302 68.868 0.253 0.000 0.988 607 T HN 0.725 nan 8.240 nan 0.000 0.543 608 T N -2.616 112.062 114.554 0.207 0.000 3.054 608 T HA 0.179 4.523 4.350 -0.010 0.000 0.255 608 T C 0.514 175.345 174.700 0.218 0.000 1.035 608 T CA -0.232 61.983 62.100 0.192 0.000 0.941 608 T CB -0.501 68.439 68.868 0.119 0.000 1.026 608 T HN 0.922 nan 8.240 nan 0.000 0.533 609 E N 1.936 122.298 120.200 0.270 0.000 2.465 609 E HA 0.068 4.412 4.350 -0.010 0.000 0.260 609 E C -0.508 176.281 176.600 0.315 0.000 0.980 609 E CA -0.368 56.187 56.400 0.258 0.000 0.927 609 E CB 0.484 30.334 29.700 0.250 0.000 0.934 609 E HN 0.376 nan 8.360 nan 0.000 0.459 610 R N 3.480 124.074 120.500 0.157 0.000 2.407 610 R HA 0.479 4.813 4.340 -0.010 0.000 0.303 610 R C -0.019 176.244 176.300 -0.061 0.000 0.981 610 R CA -0.689 55.476 56.100 0.107 0.000 0.905 610 R CB 1.500 31.842 30.300 0.071 0.000 1.099 610 R HN 0.551 nan 8.270 nan 0.000 0.459 611 R N 0.550 120.956 120.500 -0.156 0.000 2.867 611 R HA 0.436 4.769 4.340 -0.010 0.000 0.268 611 R C -0.810 175.399 176.300 -0.152 0.000 1.014 611 R CA -0.832 55.070 56.100 -0.330 0.000 0.946 611 R CB 2.599 32.358 30.300 -0.902 0.000 1.208 611 R HN 0.458 nan 8.270 nan 0.000 0.477 612 T N 2.043 116.511 114.554 -0.143 0.000 2.823 612 T HA 0.486 4.830 4.350 -0.010 0.000 0.279 612 T C -0.472 174.190 174.700 -0.064 0.000 0.998 612 T CA -0.820 61.246 62.100 -0.058 0.000 0.994 612 T CB 1.084 69.923 68.868 -0.047 0.000 0.960 612 T HN 0.126 nan 8.240 nan 0.000 0.448 613 R N 1.848 122.349 120.500 0.002 0.000 2.621 613 R HA 0.475 4.809 4.340 -0.010 0.000 0.292 613 R C -0.338 175.923 176.300 -0.064 0.000 0.969 613 R CA -0.908 55.147 56.100 -0.076 0.000 0.887 613 R CB 2.363 32.594 30.300 -0.115 0.000 1.180 613 R HN 0.571 nan 8.270 nan 0.000 0.450 614 R N 1.291 121.688 120.500 -0.173 0.000 2.459 614 R HA 0.345 4.679 4.340 -0.010 0.000 0.281 614 R C -0.927 175.171 176.300 -0.337 0.000 1.050 614 R CA -0.075 55.954 56.100 -0.118 0.000 1.055 614 R CB 0.810 31.052 30.300 -0.097 0.000 1.045 614 R HN 0.476 nan 8.270 nan 0.000 0.495 615 W N 1.972 123.192 121.300 -0.134 0.000 2.785 615 W HA 0.264 4.917 4.660 -0.010 0.000 0.333 615 W C -0.727 175.710 176.519 -0.137 0.000 1.062 615 W CA -0.551 56.693 57.345 -0.168 0.000 1.233 615 W CB 1.936 31.270 29.460 -0.210 0.000 1.413 615 W HN 0.379 nan 8.180 nan 0.000 0.489 616 Q N 2.380 122.216 119.800 0.060 0.000 2.348 616 Q HA 0.516 4.850 4.340 -0.010 0.000 0.265 616 Q C -0.487 175.529 176.000 0.028 0.000 0.998 616 Q CA -0.225 55.585 55.803 0.012 0.000 0.831 616 Q CB 1.574 30.269 28.738 -0.072 0.000 1.251 616 Q HN 0.369 nan 8.270 nan 0.000 0.456 617 T N 3.885 118.466 114.554 0.045 0.000 2.885 617 T HA 0.776 5.120 4.350 -0.010 0.000 0.285 617 T C -1.097 173.649 174.700 0.076 0.000 1.019 617 T CA -0.652 61.476 62.100 0.046 0.000 1.010 617 T CB 0.542 69.419 68.868 0.017 0.000 1.022 617 T HN 0.563 nan 8.240 nan 0.000 0.466 618 L N 4.307 125.530 121.223 -0.000 0.000 2.436 618 L HA 0.827 5.160 4.340 -0.010 0.000 0.268 618 L C -1.173 175.682 176.870 -0.024 0.000 0.974 618 L CA -0.974 53.768 54.840 -0.164 0.000 0.826 618 L CB 1.902 43.623 42.059 -0.564 0.000 1.291 618 L HN 0.973 nan 8.230 nan 0.000 0.406 619 W N 2.839 123.944 121.300 -0.325 0.000 3.066 619 W HA 0.755 5.409 4.660 -0.011 0.000 0.330 619 W C -2.587 173.751 176.519 -0.301 0.000 1.253 619 W CA -0.982 56.178 57.345 -0.309 0.000 1.187 619 W CB 0.885 30.205 29.460 -0.233 0.000 1.434 619 W HN 0.177 nan 8.180 nan 0.000 0.572 620 L N 2.674 123.781 121.223 -0.193 0.000 2.329 620 L HA 0.347 4.680 4.340 -0.010 0.000 0.279 620 L C -0.575 176.149 176.870 -0.243 0.000 1.014 620 L CA -0.786 53.858 54.840 -0.326 0.000 0.814 620 L CB 1.484 43.332 42.059 -0.352 0.000 1.257 620 L HN 0.451 nan 8.230 nan 0.000 0.424 621 D N 1.413 121.683 120.400 -0.216 0.000 2.317 621 D HA 0.138 4.772 4.640 -0.010 0.000 0.234 621 D C 0.488 176.683 176.300 -0.175 0.000 1.112 621 D CA -0.191 53.760 54.000 -0.082 0.000 0.840 621 D CB 0.783 41.601 40.800 0.029 0.000 1.078 621 D HN 0.428 nan 8.370 nan 0.000 0.486 622 H N 2.968 122.079 119.070 0.069 0.000 2.524 622 H HA 0.291 4.840 4.556 -0.010 0.000 0.280 622 H C 1.287 176.634 175.328 0.032 0.000 1.018 622 H CA 0.526 56.605 56.048 0.052 0.000 1.165 622 H CB 0.130 29.930 29.762 0.064 0.000 1.411 622 H HN 0.679 nan 8.280 nan 0.000 0.569 623 G N 0.714 109.571 108.800 0.096 0.000 2.829 623 G HA2 -0.251 3.703 3.960 -0.010 0.000 0.628 623 G HA3 -0.251 3.703 3.960 -0.010 0.000 0.628 623 G C -0.274 174.660 174.900 0.057 0.000 1.412 623 G CA -0.330 44.806 45.100 0.060 0.000 0.864 623 G HN 0.264 nan 8.290 nan 0.000 0.544 624 T N 1.242 115.815 114.554 0.030 0.000 2.832 624 T HA 0.473 4.817 4.350 -0.010 0.000 0.296 624 T C 0.334 175.044 174.700 0.016 0.000 0.968 624 T CA 1.114 63.224 62.100 0.017 0.000 1.107 624 T CB 0.650 69.519 68.868 0.003 0.000 0.916 624 T HN 0.925 nan 8.240 nan 0.000 0.517 625 D N 2.150 122.556 120.400 0.011 0.000 2.697 625 D HA -0.105 4.529 4.640 -0.010 0.000 0.238 625 D C -2.194 174.111 176.300 0.008 0.000 1.152 625 D CA 0.167 54.170 54.000 0.005 0.000 0.666 625 D CB -0.797 40.002 40.800 -0.001 0.000 1.037 625 D HN 0.384 nan 8.370 nan 0.000 0.423 626 P HA 0.322 nan 4.420 nan 0.000 0.270 626 P C -0.742 176.551 177.300 -0.011 0.000 1.223 626 P CA -0.204 62.903 63.100 0.012 0.000 0.785 626 P CB 1.027 32.737 31.700 0.016 0.000 0.923 627 A N 1.171 123.982 122.820 -0.015 0.000 2.375 627 A HA 0.584 4.898 4.320 -0.010 0.000 0.291 627 A C 0.837 178.398 177.584 -0.038 0.000 1.160 627 A CA -0.122 51.899 52.037 -0.027 0.000 0.747 627 A CB 0.146 19.135 19.000 -0.018 0.000 1.170 627 A HN 0.795 nan 8.150 nan 0.000 0.458 628 G N 1.245 110.008 108.800 -0.061 0.000 2.283 628 G HA2 0.124 4.078 3.960 -0.010 0.000 0.280 628 G HA3 0.124 4.078 3.960 -0.010 0.000 0.280 628 G C 0.716 175.571 174.900 -0.075 0.000 1.029 628 G CA 0.668 45.721 45.100 -0.078 0.000 0.840 628 G HN 2.183 nan 8.290 nan 0.000 0.505 629 A N -0.342 122.433 122.820 -0.075 0.000 2.475 629 A HA 0.539 4.853 4.320 -0.010 0.000 0.239 629 A C 0.599 178.112 177.584 -0.117 0.000 1.087 629 A CA 1.086 53.088 52.037 -0.058 0.000 0.779 629 A CB 0.321 19.300 19.000 -0.035 0.000 1.036 629 A HN 1.426 nan 8.150 nan 0.000 0.506 630 D N -2.446 117.935 120.400 -0.032 0.000 2.643 630 D HA 0.628 5.262 4.640 -0.010 0.000 0.283 630 D C -0.879 175.508 176.300 0.144 0.000 1.242 630 D CA -0.356 53.601 54.000 -0.071 0.000 0.863 630 D CB 0.630 41.367 40.800 -0.105 0.000 1.382 630 D HN 0.855 nan 8.370 nan 0.000 0.444 631 Y N -2.824 117.537 120.300 0.101 0.000 2.624 631 Y HA 0.733 5.276 4.550 -0.010 0.000 0.334 631 Y C -2.073 173.895 175.900 0.113 0.000 1.155 631 Y CA -1.357 56.844 58.100 0.169 0.000 1.046 631 Y CB 1.065 39.702 38.460 0.296 0.000 1.316 631 Y HN 0.359 nan 8.280 nan 0.000 0.457 632 V N 3.170 123.319 119.914 0.391 0.000 2.686 632 V HA 0.661 4.775 4.120 -0.010 0.000 0.306 632 V C -1.436 174.925 176.094 0.445 0.000 1.065 632 V CA -0.782 61.694 62.300 0.293 0.000 0.894 632 V CB 1.489 33.404 31.823 0.153 0.000 1.004 632 V HN 1.004 nan 8.190 nan 0.000 0.424 633 Y N 1.239 121.728 120.300 0.315 0.000 2.609 633 Y HA 0.854 5.398 4.550 -0.010 0.000 0.336 633 Y C -0.825 175.240 175.900 0.274 0.000 1.129 633 Y CA -0.965 57.301 58.100 0.276 0.000 1.040 633 Y CB 1.900 40.493 38.460 0.223 0.000 1.310 633 Y HN 0.393 nan 8.280 nan 0.000 0.460 634 T N 2.724 117.541 114.554 0.438 0.000 2.848 634 T HA 0.511 4.855 4.350 -0.010 0.000 0.285 634 T C -1.457 173.464 174.700 0.369 0.000 0.995 634 T CA -0.688 61.589 62.100 0.295 0.000 0.970 634 T CB 1.566 70.646 68.868 0.354 0.000 0.976 634 T HN 0.789 nan 8.240 nan 0.000 0.441 635 V N 5.283 125.331 119.914 0.223 0.000 2.472 635 V HA 0.622 4.736 4.120 -0.010 0.000 0.290 635 V C -0.635 175.258 176.094 -0.335 0.000 1.037 635 V CA -0.766 61.527 62.300 -0.011 0.000 0.908 635 V CB 1.187 33.078 31.823 0.113 0.000 0.985 635 V HN 0.935 nan 8.190 nan 0.000 0.454 636 M N 8.898 128.176 119.600 -0.536 0.000 2.182 636 M HA 0.394 4.868 4.480 -0.010 0.000 0.285 636 M C -2.681 173.142 176.300 -0.795 0.000 0.956 636 M CA -1.617 53.351 55.300 -0.554 0.000 0.878 636 M CB 1.432 33.837 32.600 -0.324 0.000 1.373 636 M HN 0.435 nan 8.290 nan 0.000 0.393 637 P HA 0.172 nan 4.420 nan 0.000 0.271 637 P C 0.980 177.987 177.300 -0.488 0.000 1.216 637 P CA 0.833 63.134 63.100 -1.333 0.000 0.771 637 P CB 0.783 31.396 31.700 -1.812 0.000 0.864 638 G N 1.292 109.976 108.800 -0.194 0.000 2.179 638 G HA2 -0.188 3.766 3.960 -0.010 0.000 0.260 638 G HA3 -0.188 3.766 3.960 -0.010 0.000 0.260 638 G C 0.410 175.321 174.900 0.019 0.000 0.977 638 G CA 0.101 45.220 45.100 0.031 0.000 0.641 638 G HN 0.864 nan 8.290 nan 0.000 0.533 639 A N 0.294 123.080 122.820 -0.058 0.000 2.302 639 A HA 0.793 5.107 4.320 -0.010 0.000 0.285 639 A C 0.966 178.621 177.584 0.118 0.000 1.105 639 A CA 0.881 52.909 52.037 -0.014 0.000 0.816 639 A CB 0.589 19.528 19.000 -0.102 0.000 1.067 639 A HN 1.929 nan 8.150 nan 0.000 0.489 640 S N 1.337 117.043 115.700 0.010 0.000 2.593 640 S HA 0.176 4.640 4.470 -0.010 0.000 0.269 640 S C 1.256 175.612 174.600 -0.408 0.000 1.334 640 S CA -0.150 57.992 58.200 -0.097 0.000 1.015 640 S CB 0.732 63.862 63.200 -0.117 0.000 0.912 640 S HN 0.799 nan 8.310 nan 0.000 0.541 641 R N 0.920 120.885 120.500 -0.893 0.000 2.117 641 R HA -0.181 4.152 4.340 -0.010 0.000 0.243 641 R C 2.166 178.110 176.300 -0.593 0.000 1.143 641 R CA 1.786 57.331 56.100 -0.925 0.000 0.968 641 R CB -1.174 28.740 30.300 -0.643 0.000 0.863 641 R HN 0.874 nan 8.270 nan 0.000 0.444 642 A N 0.322 122.904 122.820 -0.396 0.000 1.898 642 A HA 0.046 4.360 4.320 -0.010 0.000 0.214 642 A C 2.331 179.727 177.584 -0.313 0.000 1.183 642 A CA 1.248 53.094 52.037 -0.318 0.000 0.622 642 A CB -0.550 18.333 19.000 -0.196 0.000 0.824 642 A HN 0.474 nan 8.150 nan 0.000 0.444 643 A N -0.415 122.246 122.820 -0.264 0.000 1.940 643 A HA -0.077 4.237 4.320 -0.010 0.000 0.219 643 A C 2.146 179.550 177.584 -0.301 0.000 1.176 643 A CA 1.758 53.653 52.037 -0.237 0.000 0.631 643 A CB -0.576 18.318 19.000 -0.177 0.000 0.814 643 A HN 0.582 nan 8.150 nan 0.000 0.446 644 L N -0.505 120.506 121.223 -0.354 0.000 2.027 644 L HA -0.001 4.333 4.340 -0.010 0.000 0.206 644 L C 2.776 179.291 176.870 -0.591 0.000 1.074 644 L CA 1.973 56.585 54.840 -0.379 0.000 0.745 644 L CB -0.626 41.266 42.059 -0.278 0.000 0.898 644 L HN 0.335 nan 8.230 nan 0.000 0.433 645 A N -0.340 121.899 122.820 -0.967 0.000 1.948 645 A HA -0.259 4.055 4.320 -0.010 0.000 0.220 645 A C 2.395 179.748 177.584 -0.385 0.000 1.177 645 A CA 2.025 53.486 52.037 -0.961 0.000 0.636 645 A CB -0.603 17.931 19.000 -0.776 0.000 0.815 645 A HN 0.516 nan 8.150 nan 0.000 0.449 646 R N -1.466 118.852 120.500 -0.304 0.000 2.066 646 R HA -0.097 4.237 4.340 -0.010 0.000 0.232 646 R C 2.477 178.680 176.300 -0.161 0.000 1.131 646 R CA 1.515 57.506 56.100 -0.182 0.000 0.955 646 R CB -0.286 29.915 30.300 -0.165 0.000 0.851 646 R HN 0.439 nan 8.270 nan 0.000 0.432 647 R N 1.080 121.435 120.500 -0.242 0.000 2.092 647 R HA -0.040 4.294 4.340 -0.010 0.000 0.231 647 R C 2.014 178.279 176.300 -0.059 0.000 1.119 647 R CA 1.629 57.542 56.100 -0.312 0.000 0.970 647 R CB -0.483 29.506 30.300 -0.519 0.000 0.864 647 R HN 0.244 nan 8.270 nan 0.000 0.440 648 A N -0.250 122.568 122.820 -0.003 0.000 1.969 648 A HA 0.027 4.340 4.320 -0.010 0.000 0.218 648 A C 2.109 179.763 177.584 0.117 0.000 1.169 648 A CA 1.543 53.671 52.037 0.151 0.000 0.635 648 A CB -0.616 18.582 19.000 0.330 0.000 0.810 648 A HN 0.431 nan 8.150 nan 0.000 0.445 649 A N -0.807 122.058 122.820 0.076 0.000 2.275 649 A HA 0.202 4.516 4.320 -0.010 0.000 0.212 649 A C 0.610 178.241 177.584 0.078 0.000 1.201 649 A CA 0.557 52.641 52.037 0.078 0.000 0.843 649 A CB -0.167 18.874 19.000 0.068 0.000 0.873 649 A HN 0.383 nan 8.150 nan 0.000 0.492 650 D N 0.045 120.511 120.400 0.110 0.000 2.313 650 D HA 0.296 4.930 4.640 -0.010 0.000 0.239 650 D C 0.949 177.389 176.300 0.233 0.000 1.142 650 D CA -0.345 53.755 54.000 0.166 0.000 0.847 650 D CB 0.734 41.638 40.800 0.174 0.000 1.082 650 D HN 0.233 nan 8.370 nan 0.000 0.480 651 R N 2.112 122.706 120.500 0.156 0.000 2.240 651 R HA -0.003 4.331 4.340 -0.010 0.000 0.203 651 R C 1.790 178.147 176.300 0.095 0.000 1.011 651 R CA 0.361 56.519 56.100 0.096 0.000 1.007 651 R CB 0.029 30.367 30.300 0.064 0.000 0.911 651 R HN 0.573 nan 8.270 nan 0.000 0.468 652 H N 0.654 119.768 119.070 0.073 0.000 2.486 652 H HA -0.072 4.478 4.556 -0.010 0.000 0.287 652 H C 1.554 176.907 175.328 0.042 0.000 1.010 652 H CA 0.934 57.007 56.048 0.041 0.000 1.324 652 H CB 0.057 29.855 29.762 0.059 0.000 1.446 652 H HN 0.428 nan 8.280 nan 0.000 0.537 653 W N 1.586 122.886 121.300 0.001 0.000 2.392 653 W HA 0.006 4.660 4.660 -0.010 0.000 0.279 653 W C -0.567 175.875 176.519 -0.128 0.000 1.225 653 W CA 0.064 57.384 57.345 -0.041 0.000 1.233 653 W CB -0.622 28.842 29.460 0.007 0.000 1.122 653 W HN 0.097 nan 8.180 nan 0.000 0.561 654 L N 1.790 122.422 121.223 -0.986 0.000 2.438 654 L HA 0.544 4.878 4.340 -0.010 0.000 0.270 654 L C -1.010 175.495 176.870 -0.610 0.000 0.972 654 L CA -0.311 53.881 54.840 -1.081 0.000 0.831 654 L CB 2.312 43.310 42.059 -1.769 0.000 1.273 654 L HN -0.209 nan 8.230 nan 0.000 0.405 655 T N 4.286 118.559 114.554 -0.469 0.000 2.786 655 T HA 0.453 4.797 4.350 -0.010 0.000 0.283 655 T C -0.614 173.892 174.700 -0.324 0.000 0.992 655 T CA -0.344 61.558 62.100 -0.330 0.000 0.954 655 T CB 1.511 70.226 68.868 -0.255 0.000 0.934 655 T HN 0.355 nan 8.240 nan 0.000 0.440 656 V N 6.203 125.955 119.914 -0.270 0.000 2.370 656 V HA 0.103 4.217 4.120 -0.010 0.000 0.257 656 V C 1.564 177.538 176.094 -0.200 0.000 1.064 656 V CA 0.137 62.286 62.300 -0.251 0.000 0.975 656 V CB -0.134 31.577 31.823 -0.186 0.000 1.067 656 V HN 0.866 nan 8.190 nan 0.000 0.485 657 L N 4.115 125.206 121.223 -0.219 0.000 2.083 657 L HA 0.097 4.431 4.340 -0.010 0.000 0.209 657 L C 1.036 177.833 176.870 -0.121 0.000 1.083 657 L CA 1.511 56.258 54.840 -0.155 0.000 0.752 657 L CB -0.144 41.825 42.059 -0.151 0.000 0.899 657 L HN 0.765 nan 8.230 nan 0.000 0.433 658 A N -0.427 122.308 122.820 -0.141 0.000 2.547 658 A HA 0.543 4.857 4.320 -0.010 0.000 0.298 658 A C -1.284 176.236 177.584 -0.107 0.000 1.062 658 A CA -0.492 51.484 52.037 -0.102 0.000 0.748 658 A CB 0.916 19.861 19.000 -0.093 0.000 1.288 658 A HN 0.037 nan 8.150 nan 0.000 0.396 659 N N 1.677 120.327 118.700 -0.083 0.000 2.707 659 N HA 0.477 5.211 4.740 -0.010 0.000 0.249 659 N C -1.389 174.076 175.510 -0.076 0.000 1.299 659 N CA -0.052 52.947 53.050 -0.085 0.000 0.769 659 N CB 0.856 39.280 38.487 -0.106 0.000 1.236 659 N HN 0.828 nan 8.380 nan 0.000 0.524 660 D N -0.961 119.411 120.400 -0.048 0.000 2.752 660 D HA 0.211 4.845 4.640 -0.010 0.000 0.313 660 D C 0.272 176.538 176.300 -0.056 0.000 1.225 660 D CA -0.515 53.448 54.000 -0.062 0.000 0.976 660 D CB 0.151 40.926 40.800 -0.042 0.000 1.443 660 D HN 0.073 nan 8.370 nan 0.000 0.515 661 D N -1.043 119.286 120.400 -0.117 0.000 2.363 661 D HA -0.036 4.598 4.640 -0.010 0.000 0.226 661 D C 0.901 177.141 176.300 -0.100 0.000 1.020 661 D CA 0.446 54.304 54.000 -0.236 0.000 0.892 661 D CB 0.017 40.648 40.800 -0.282 0.000 0.900 661 D HN 0.379 nan 8.370 nan 0.000 0.531 662 R N -0.299 120.244 120.500 0.071 0.000 2.225 662 R HA 0.210 4.544 4.340 -0.010 0.000 0.194 662 R C 0.377 176.844 176.300 0.278 0.000 0.957 662 R CA 0.137 56.346 56.100 0.180 0.000 1.042 662 R CB 0.510 30.882 30.300 0.120 0.000 1.004 662 R HN 0.099 nan 8.270 nan 0.000 0.509 663 R N 0.642 121.264 120.500 0.203 0.000 2.604 663 R HA 0.266 4.600 4.340 -0.010 0.000 0.261 663 R C -1.842 174.421 176.300 -0.062 0.000 1.080 663 R CA -0.617 55.470 56.100 -0.020 0.000 0.917 663 R CB 0.999 31.211 30.300 -0.147 0.000 1.252 663 R HN -0.085 nan 8.270 nan 0.000 0.456 664 Q N 1.004 120.701 119.800 -0.172 0.000 2.340 664 Q HA 0.834 5.168 4.340 -0.010 0.000 0.268 664 Q C -1.221 174.708 176.000 -0.119 0.000 1.031 664 Q CA -0.842 54.917 55.803 -0.073 0.000 0.804 664 Q CB 2.705 31.488 28.738 0.075 0.000 1.286 664 Q HN 0.830 nan 8.270 nan 0.000 0.448 665 A N 1.393 124.077 122.820 -0.227 0.000 2.577 665 A HA 0.730 5.043 4.320 -0.010 0.000 0.297 665 A C -1.256 175.989 177.584 -0.565 0.000 1.060 665 A CA -0.623 51.163 52.037 -0.419 0.000 0.697 665 A CB 1.266 20.049 19.000 -0.362 0.000 1.281 665 A HN 0.564 nan 8.150 nan 0.000 0.402 666 V N -1.053 118.399 119.914 -0.769 0.000 3.040 666 V HA 0.976 5.090 4.120 -0.010 0.000 0.312 666 V C -0.222 175.606 176.094 -0.443 0.000 1.115 666 V CA -0.445 61.465 62.300 -0.650 0.000 0.998 666 V CB 1.701 33.015 31.823 -0.848 0.000 1.042 666 V HN 1.537 nan 8.190 nan 0.000 0.433 667 S N 1.149 116.632 115.700 -0.362 0.000 2.519 667 S HA 0.776 5.240 4.470 -0.010 0.000 0.309 667 S C -1.013 173.411 174.600 -0.294 0.000 1.100 667 S CA -0.430 57.614 58.200 -0.260 0.000 1.059 667 S CB 1.463 64.544 63.200 -0.199 0.000 1.008 667 S HN 1.113 nan 8.310 nan 0.000 0.478 668 V N 8.411 128.194 119.914 -0.219 0.000 2.327 668 V HA 0.371 4.485 4.120 -0.010 0.000 0.272 668 V C -1.650 174.390 176.094 -0.090 0.000 1.019 668 V CA -1.448 60.740 62.300 -0.187 0.000 0.814 668 V CB 1.305 33.040 31.823 -0.147 0.000 1.040 668 V HN 0.714 nan 8.190 nan 0.000 0.440 669 P HA -0.123 nan 4.420 nan 0.000 0.218 669 P C 1.677 179.011 177.300 0.058 0.000 1.149 669 P CA 1.458 64.550 63.100 -0.013 0.000 0.817 669 P CB 0.239 31.921 31.700 -0.030 0.000 0.785 670 S N -0.509 115.247 115.700 0.093 0.000 2.469 670 S HA -0.064 4.400 4.470 -0.010 0.000 0.238 670 S C 1.692 176.332 174.600 0.068 0.000 0.998 670 S CA 0.826 59.090 58.200 0.107 0.000 0.957 670 S CB -1.324 61.960 63.200 0.140 0.000 0.764 670 S HN 0.151 nan 8.310 nan 0.000 0.514 671 L N 0.700 121.938 121.223 0.025 0.000 2.728 671 L HA 0.404 4.738 4.340 -0.010 0.000 0.238 671 L C 1.540 178.421 176.870 0.018 0.000 1.143 671 L CA 0.094 54.932 54.840 -0.004 0.000 0.937 671 L CB -0.286 41.682 42.059 -0.152 0.000 1.225 671 L HN 0.468 nan 8.230 nan 0.000 0.507 672 G N 1.714 110.531 108.800 0.029 0.000 2.321 672 G HA2 -0.324 3.629 3.960 -0.010 0.000 0.287 672 G HA3 -0.324 3.629 3.960 -0.010 0.000 0.287 672 G C -0.118 174.787 174.900 0.008 0.000 1.018 672 G CA 0.602 45.724 45.100 0.036 0.000 0.855 672 G HN 0.332 nan 8.290 nan 0.000 0.507 673 L N 0.541 121.748 121.223 -0.028 0.000 2.322 673 L HA 0.784 5.118 4.340 -0.010 0.000 0.281 673 L C -0.133 176.691 176.870 -0.078 0.000 1.014 673 L CA -0.561 54.245 54.840 -0.056 0.000 0.815 673 L CB 1.837 43.840 42.059 -0.094 0.000 1.247 673 L HN 0.065 nan 8.230 nan 0.000 0.421 674 T N 4.003 118.510 114.554 -0.078 0.000 2.824 674 T HA 0.815 5.159 4.350 -0.010 0.000 0.282 674 T C -0.790 173.853 174.700 -0.094 0.000 0.993 674 T CA -0.515 61.531 62.100 -0.091 0.000 0.967 674 T CB 1.686 70.541 68.868 -0.022 0.000 0.960 674 T HN 0.713 nan 8.240 nan 0.000 0.441 675 A N 1.930 124.665 122.820 -0.142 0.000 2.455 675 A HA 0.934 5.247 4.320 -0.010 0.000 0.300 675 A C -1.029 176.497 177.584 -0.097 0.000 1.040 675 A CA -0.888 51.126 52.037 -0.039 0.000 0.697 675 A CB 1.435 20.510 19.000 0.125 0.000 1.265 675 A HN 1.192 nan 8.150 nan 0.000 0.407 676 A N 2.325 125.148 122.820 0.006 0.000 2.459 676 A HA 0.707 5.020 4.320 -0.010 0.000 0.296 676 A C -1.373 176.090 177.584 -0.202 0.000 1.039 676 A CA -0.720 51.184 52.037 -0.222 0.000 0.698 676 A CB 1.102 19.771 19.000 -0.552 0.000 1.261 676 A HN 0.651 nan 8.150 nan 0.000 0.405 677 N N 1.552 120.072 118.700 -0.300 0.000 2.457 677 N HA 0.443 5.176 4.740 -0.010 0.000 0.250 677 N C -1.586 173.432 175.510 -0.819 0.000 0.982 677 N CA 0.153 52.917 53.050 -0.477 0.000 0.941 677 N CB 0.535 38.573 38.487 -0.748 0.000 1.120 677 N HN 0.471 nan 8.380 nan 0.000 0.505 678 F N 1.217 121.013 119.950 -0.258 0.000 2.350 678 F HA 0.236 4.756 4.527 -0.011 0.000 0.365 678 F C 0.932 176.612 175.800 -0.199 0.000 1.122 678 F CA -0.894 57.004 58.000 -0.170 0.000 1.139 678 F CB 0.372 39.396 39.000 0.040 0.000 1.220 678 F HN 0.545 nan 8.300 nan 0.000 0.499 679 W N 1.578 122.836 121.300 -0.068 0.000 2.525 679 W HA -0.016 4.638 4.660 -0.010 0.000 0.259 679 W C 0.706 177.267 176.519 0.070 0.000 1.253 679 W CA 0.197 57.384 57.345 -0.263 0.000 1.262 679 W CB -0.085 29.150 29.460 -0.375 0.000 1.122 679 W HN 0.418 nan 8.180 nan 0.000 0.607 680 Q N -1.504 118.499 119.800 0.339 0.000 2.737 680 Q HA 0.660 4.994 4.340 -0.010 0.000 0.307 680 Q C -0.686 175.444 176.000 0.217 0.000 0.905 680 Q CA -1.189 54.772 55.803 0.264 0.000 0.753 680 Q CB 0.914 29.766 28.738 0.190 0.000 1.463 680 Q HN -0.168 nan 8.270 nan 0.000 0.455 681 A N -0.215 122.679 122.820 0.122 0.000 2.555 681 A HA 0.551 4.865 4.320 -0.010 0.000 0.233 681 A C 0.608 178.213 177.584 0.036 0.000 1.060 681 A CA 1.237 53.289 52.037 0.025 0.000 0.759 681 A CB -0.646 18.363 19.000 0.016 0.000 0.995 681 A HN 1.313 nan 8.150 nan 0.000 0.506 682 G N -1.154 107.605 108.800 -0.068 0.000 2.343 682 G HA2 0.550 4.504 3.960 -0.010 0.000 0.289 682 G HA3 0.550 4.504 3.960 -0.010 0.000 0.289 682 G C -0.641 174.224 174.900 -0.058 0.000 1.295 682 G CA 0.258 45.376 45.100 0.030 0.000 0.869 682 G HN 1.754 nan 8.290 nan 0.000 0.522 683 T N -1.666 113.003 114.554 0.191 0.000 2.916 683 T HA 0.881 5.225 4.350 -0.010 0.000 0.305 683 T C -1.075 173.860 174.700 0.391 0.000 1.119 683 T CA 0.667 62.914 62.100 0.244 0.000 1.008 683 T CB 1.465 70.387 68.868 0.089 0.000 1.129 683 T HN 2.308 nan 8.240 nan 0.000 0.480 684 A N 2.591 125.657 122.820 0.410 0.000 2.429 684 A HA 0.789 5.103 4.320 -0.010 0.000 0.289 684 A C 0.883 178.545 177.584 0.131 0.000 1.043 684 A CA 0.252 52.397 52.037 0.179 0.000 0.722 684 A CB 0.739 19.724 19.000 -0.024 0.000 1.243 684 A HN 2.101 nan 8.150 nan 0.000 0.415 685 G N 3.254 112.091 108.800 0.062 0.000 2.672 685 G HA2 -0.269 3.685 3.960 -0.010 0.000 0.324 685 G HA3 -0.269 3.685 3.960 -0.010 0.000 0.324 685 G C -0.953 174.010 174.900 0.104 0.000 1.286 685 G CA 0.669 45.803 45.100 0.056 0.000 1.004 685 G HN 0.976 nan 8.290 nan 0.000 0.548 686 P HA 0.364 nan 4.420 nan 0.000 0.257 686 P C 0.165 177.638 177.300 0.288 0.000 1.325 686 P CA 0.315 63.525 63.100 0.184 0.000 0.850 686 P CB 0.035 31.877 31.700 0.236 0.000 1.324 687 L N -0.508 120.889 121.223 0.290 0.000 2.346 687 L HA 0.521 4.854 4.340 -0.010 0.000 0.276 687 L C -0.017 176.982 176.870 0.215 0.000 1.006 687 L CA -0.216 54.819 54.840 0.325 0.000 0.817 687 L CB 2.302 44.617 42.059 0.428 0.000 1.272 687 L HN -0.267 nan 8.230 nan 0.000 0.421 688 T N 0.348 114.912 114.554 0.016 0.000 2.893 688 T HA 0.492 4.836 4.350 -0.010 0.000 0.293 688 T C -0.672 173.814 174.700 -0.357 0.000 1.027 688 T CA -0.468 61.512 62.100 -0.199 0.000 0.988 688 T CB 2.185 70.994 68.868 -0.098 0.000 1.043 688 T HN 0.546 nan 8.240 nan 0.000 0.461 689 T N 0.128 114.320 114.554 -0.604 0.000 2.900 689 T HA 0.510 4.854 4.350 -0.010 0.000 0.295 689 T C 1.150 175.707 174.700 -0.239 0.000 1.044 689 T CA -0.373 61.470 62.100 -0.428 0.000 0.995 689 T CB 1.378 69.879 68.868 -0.611 0.000 1.072 689 T HN 0.699 nan 8.240 nan 0.000 0.473 690 T N 0.707 115.196 114.554 -0.107 0.000 3.129 690 T HA 0.624 4.968 4.350 -0.010 0.000 0.251 690 T C 0.531 175.223 174.700 -0.012 0.000 1.117 690 T CA 0.242 62.316 62.100 -0.044 0.000 1.034 690 T CB -0.038 68.828 68.868 -0.004 0.000 0.968 690 T HN 0.881 nan 8.240 nan 0.000 0.526 691 A N -0.058 122.755 122.820 -0.011 0.000 2.610 691 A HA 0.754 5.068 4.320 -0.010 0.000 0.291 691 A C 0.160 177.816 177.584 0.120 0.000 1.086 691 A CA -0.539 51.534 52.037 0.059 0.000 0.677 691 A CB 0.357 19.391 19.000 0.056 0.000 1.278 691 A HN 0.466 nan 8.150 nan 0.000 0.414 692 G N -0.308 108.630 108.800 0.230 0.000 2.265 692 G HA2 0.623 4.577 3.960 -0.010 0.000 0.240 692 G HA3 0.623 4.577 3.960 -0.010 0.000 0.240 692 G C 0.132 175.216 174.900 0.306 0.000 1.270 692 G CA 0.992 46.354 45.100 0.436 0.000 0.901 692 G HN 2.144 nan 8.290 nan 0.000 0.507 693 A N 1.436 124.516 122.820 0.433 0.000 2.586 693 A HA 0.759 5.073 4.320 -0.010 0.000 0.291 693 A C -0.481 177.341 177.584 0.397 0.000 1.062 693 A CA -0.234 51.943 52.037 0.234 0.000 0.666 693 A CB 1.413 20.515 19.000 0.171 0.000 1.281 693 A HN 1.427 nan 8.150 nan 0.000 0.421 694 S N -0.134 115.687 115.700 0.201 0.000 2.473 694 S HA 0.744 5.207 4.470 -0.010 0.000 0.307 694 S C -1.152 173.547 174.600 0.164 0.000 1.094 694 S CA -0.381 57.951 58.200 0.221 0.000 1.070 694 S CB 0.971 64.259 63.200 0.147 0.000 1.019 694 S HN 1.363 nan 8.310 nan 0.000 0.480 695 V N 5.089 125.109 119.914 0.176 0.000 2.760 695 V HA 0.678 4.791 4.120 -0.010 0.000 0.309 695 V C -1.155 174.985 176.094 0.077 0.000 1.077 695 V CA -0.798 61.582 62.300 0.134 0.000 0.910 695 V CB 1.726 33.675 31.823 0.211 0.000 1.008 695 V HN 0.802 nan 8.190 nan 0.000 0.424 696 L N 5.263 126.496 121.223 0.017 0.000 2.439 696 L HA 0.797 5.131 4.340 -0.010 0.000 0.270 696 L C -1.048 175.760 176.870 -0.104 0.000 0.972 696 L CA -0.109 54.725 54.840 -0.009 0.000 0.836 696 L CB 1.990 44.064 42.059 0.026 0.000 1.255 696 L HN 0.464 nan 8.230 nan 0.000 0.404 697 V N 5.306 125.113 119.914 -0.178 0.000 2.459 697 V HA 0.629 4.742 4.120 -0.010 0.000 0.295 697 V C -0.144 175.815 176.094 -0.224 0.000 1.029 697 V CA -0.607 61.481 62.300 -0.353 0.000 0.874 697 V CB 1.743 33.131 31.823 -0.724 0.000 0.985 697 V HN 0.706 nan 8.190 nan 0.000 0.438 698 R N 3.637 124.017 120.500 -0.201 0.000 2.473 698 R HA 0.504 4.838 4.340 -0.010 0.000 0.303 698 R C -0.659 175.597 176.300 -0.072 0.000 1.002 698 R CA -0.697 55.358 56.100 -0.075 0.000 0.884 698 R CB 1.543 31.848 30.300 0.007 0.000 1.173 698 R HN 0.708 nan 8.270 nan 0.000 0.464 699 R N 2.951 123.436 120.500 -0.025 0.000 2.297 699 R HA 0.353 4.686 4.340 -0.010 0.000 0.308 699 R C -0.260 176.063 176.300 0.039 0.000 1.029 699 R CA -0.357 55.754 56.100 0.018 0.000 0.929 699 R CB 1.358 31.694 30.300 0.061 0.000 1.046 699 R HN 0.363 nan 8.270 nan 0.000 0.461 700 R N 2.223 122.748 120.500 0.042 0.000 2.513 700 R HA 0.252 4.586 4.340 -0.010 0.000 0.283 700 R C 0.325 176.655 176.300 0.050 0.000 1.535 700 R CA -0.053 56.076 56.100 0.049 0.000 1.315 700 R CB 1.633 31.959 30.300 0.044 0.000 1.163 700 R HN 0.975 nan 8.270 nan 0.000 0.573 701 G N 1.375 110.209 108.800 0.055 0.000 2.675 701 G HA2 -0.517 3.437 3.960 -0.010 0.000 0.312 701 G HA3 -0.517 3.437 3.960 -0.010 0.000 0.312 701 G C 0.846 175.783 174.900 0.062 0.000 1.186 701 G CA 0.618 45.751 45.100 0.056 0.000 0.965 701 G HN 0.610 nan 8.290 nan 0.000 0.548 702 R N 0.824 121.359 120.500 0.058 0.000 2.432 702 R HA 0.663 4.997 4.340 -0.010 0.000 0.260 702 R C 1.331 177.672 176.300 0.068 0.000 0.935 702 R CA 2.258 58.397 56.100 0.065 0.000 1.080 702 R CB -0.477 29.856 30.300 0.055 0.000 1.155 702 R HN 1.942 nan 8.270 nan 0.000 0.531 703 T N -4.388 110.203 114.554 0.062 0.000 2.916 703 T HA 0.851 5.195 4.350 -0.010 0.000 0.292 703 T C -0.513 174.221 174.700 0.057 0.000 1.064 703 T CA -0.260 61.878 62.100 0.062 0.000 1.011 703 T CB 2.014 70.910 68.868 0.047 0.000 1.152 703 T HN 0.817 nan 8.240 nan 0.000 0.510 704 A N 1.122 123.973 122.820 0.053 0.000 2.572 704 A HA 0.863 5.177 4.320 -0.010 0.000 0.295 704 A C -0.138 177.418 177.584 -0.047 0.000 1.072 704 A CA -0.708 51.324 52.037 -0.009 0.000 0.691 704 A CB 1.511 20.510 19.000 -0.001 0.000 1.291 704 A HN 1.535 nan 8.150 nan 0.000 0.404 705 T N -0.478 114.016 114.554 -0.101 0.000 2.841 705 T HA 0.679 5.023 4.350 -0.010 0.000 0.283 705 T C -0.758 173.837 174.700 -0.176 0.000 1.000 705 T CA -0.522 61.522 62.100 -0.092 0.000 0.977 705 T CB 1.147 69.989 68.868 -0.045 0.000 0.979 705 T HN 1.041 nan 8.240 nan 0.000 0.446 706 L N 2.807 123.938 121.223 -0.153 0.000 2.333 706 L HA 0.704 5.037 4.340 -0.010 0.000 0.280 706 L C -0.482 176.340 176.870 -0.080 0.000 1.004 706 L CA -0.842 53.884 54.840 -0.190 0.000 0.820 706 L CB 1.295 43.233 42.059 -0.202 0.000 1.247 706 L HN 0.723 nan 8.230 nan 0.000 0.416 707 R N 4.051 124.513 120.500 -0.064 0.000 2.599 707 R HA 0.749 5.082 4.340 -0.010 0.000 0.295 707 R C -1.659 174.648 176.300 0.013 0.000 0.963 707 R CA -0.796 55.294 56.100 -0.017 0.000 0.883 707 R CB 2.626 32.911 30.300 -0.025 0.000 1.171 707 R HN 0.427 nan 8.270 nan 0.000 0.450 708 V N 2.026 121.968 119.914 0.047 0.000 2.733 708 V HA 0.581 4.695 4.120 -0.010 0.000 0.306 708 V C -1.014 175.140 176.094 0.099 0.000 1.084 708 V CA -0.279 62.067 62.300 0.077 0.000 0.905 708 V CB 2.114 33.988 31.823 0.084 0.000 1.010 708 V HN 0.972 nan 8.190 nan 0.000 0.424 709 S N 4.212 119.942 115.700 0.051 0.000 2.671 709 S HA 0.685 5.148 4.470 -0.010 0.000 0.299 709 S C -0.725 173.856 174.600 -0.031 0.000 1.116 709 S CA -0.671 57.539 58.200 0.017 0.000 0.912 709 S CB 2.182 65.339 63.200 -0.071 0.000 1.130 709 S HN 0.892 nan 8.310 nan 0.000 0.501 710 E N 1.116 121.275 120.200 -0.068 0.000 2.489 710 E HA 0.327 4.671 4.350 -0.010 0.000 0.232 710 E C -2.237 174.188 176.600 -0.292 0.000 0.990 710 E CA -2.299 54.012 56.400 -0.148 0.000 0.768 710 E CB 1.159 30.829 29.700 -0.051 0.000 1.270 710 E HN 0.359 nan 8.360 nan 0.000 0.423 711 P HA -0.026 nan 4.420 nan 0.000 0.220 711 P C -1.917 175.121 177.300 -0.437 0.000 1.148 711 P CA 0.521 63.224 63.100 -0.662 0.000 0.803 711 P CB -0.253 30.625 31.700 -1.369 0.000 0.782 712 P HA 0.001 nan 4.420 nan 0.000 0.226 712 P C -0.089 177.191 177.300 -0.034 0.000 1.153 712 P CA 0.794 63.834 63.100 -0.100 0.000 0.777 712 P CB -0.235 31.473 31.700 0.014 0.000 0.794 713 R N -2.130 118.333 120.500 -0.063 0.000 3.651 713 R HA -0.143 4.191 4.340 -0.010 0.000 0.292 713 R C 1.079 177.390 176.300 0.017 0.000 1.161 713 R CA 0.853 56.944 56.100 -0.015 0.000 0.787 713 R CB -2.835 27.465 30.300 0.000 0.000 1.249 713 R HN 0.352 nan 8.270 nan 0.000 0.476 714 T N -4.408 110.158 114.554 0.019 0.000 2.904 714 T HA 0.091 4.435 4.350 -0.010 0.000 0.267 714 T C 1.709 176.425 174.700 0.027 0.000 1.059 714 T CA 1.155 63.275 62.100 0.033 0.000 1.137 714 T CB 0.283 69.175 68.868 0.039 0.000 0.879 714 T HN 0.815 nan 8.240 nan 0.000 0.467 715 G N 1.236 110.048 108.800 0.019 0.000 2.179 715 G HA2 -0.250 3.704 3.960 -0.010 0.000 0.260 715 G HA3 -0.250 3.704 3.960 -0.010 0.000 0.260 715 G C -0.154 174.750 174.900 0.007 0.000 0.977 715 G CA 0.185 45.295 45.100 0.016 0.000 0.641 715 G HN 0.683 nan 8.290 nan 0.000 0.533 716 E N 0.986 121.192 120.200 0.011 0.000 2.384 716 E HA 0.485 4.829 4.350 -0.010 0.000 0.266 716 E C 0.984 177.581 176.600 -0.004 0.000 1.012 716 E CA 0.033 56.438 56.400 0.007 0.000 0.901 716 E CB 0.863 30.574 29.700 0.018 0.000 0.967 716 E HN 0.705 nan 8.360 nan 0.000 0.435 717 A N 3.430 126.242 122.820 -0.013 0.000 2.531 717 A HA 0.267 4.581 4.320 -0.010 0.000 0.236 717 A C -0.181 177.395 177.584 -0.014 0.000 1.062 717 A CA 0.124 52.146 52.037 -0.025 0.000 0.760 717 A CB -0.254 18.729 19.000 -0.029 0.000 0.995 717 A HN 0.498 nan 8.150 nan 0.000 0.501 718 L N -0.576 120.636 121.223 -0.019 0.000 2.359 718 L HA 0.892 5.226 4.340 -0.010 0.000 0.256 718 L C -0.540 176.328 176.870 -0.003 0.000 1.026 718 L CA -0.777 54.060 54.840 -0.005 0.000 0.828 718 L CB 1.769 43.828 42.059 0.001 0.000 1.406 718 L HN 0.648 nan 8.230 nan 0.000 0.413 719 E N 1.434 121.645 120.200 0.018 0.000 2.207 719 E HA 0.686 5.030 4.350 -0.010 0.000 0.270 719 E C -1.239 175.396 176.600 0.058 0.000 0.927 719 E CA -0.875 55.560 56.400 0.058 0.000 0.799 719 E CB 2.558 32.347 29.700 0.147 0.000 1.172 719 E HN 0.372 nan 8.360 nan 0.000 0.404 720 I N 2.140 122.773 120.570 0.105 0.000 2.465 720 I HA 0.358 4.521 4.170 -0.010 0.000 0.291 720 I C -0.538 175.682 176.117 0.171 0.000 1.014 720 I CA -0.897 60.454 61.300 0.086 0.000 1.093 720 I CB 1.503 39.551 38.000 0.081 0.000 1.267 720 I HN 0.274 nan 8.210 nan 0.000 0.431 721 V N 4.911 124.883 119.914 0.098 0.000 2.604 721 V HA 0.417 4.531 4.120 -0.010 0.000 0.305 721 V C -1.234 174.987 176.094 0.212 0.000 1.043 721 V CA -0.622 61.743 62.300 0.107 0.000 0.888 721 V CB 2.562 34.349 31.823 -0.060 0.000 0.995 721 V HN 0.797 nan 8.190 nan 0.000 0.429 722 W N 4.411 125.736 121.300 0.042 0.000 2.424 722 W HA 0.521 5.175 4.660 -0.010 0.000 0.318 722 W C -0.232 176.330 176.519 0.072 0.000 1.016 722 W CA -1.458 55.925 57.345 0.063 0.000 1.268 722 W CB 1.301 30.805 29.460 0.074 0.000 1.297 722 W HN 0.706 nan 8.180 nan 0.000 0.428 723 D N 4.583 124.915 120.400 -0.114 0.000 2.541 723 D HA 0.011 4.645 4.640 -0.010 0.000 0.231 723 D C -0.760 175.258 176.300 -0.471 0.000 1.163 723 D CA 0.955 54.817 54.000 -0.231 0.000 1.077 723 D CB -0.397 40.344 40.800 -0.098 0.000 1.110 723 D HN 0.341 nan 8.370 nan 0.000 0.499 724 H N 2.032 120.641 119.070 -0.768 0.000 3.026 724 H HA 0.293 4.843 4.556 -0.010 0.000 0.352 724 H C -2.956 172.050 175.328 -0.537 0.000 1.090 724 H CA -1.801 53.742 56.048 -0.842 0.000 1.268 724 H CB 1.924 30.673 29.762 -1.687 0.000 1.816 724 H HN 0.082 nan 8.280 nan 0.000 0.518 725 P HA 0.040 nan 4.420 nan 0.000 0.265 725 P C -0.677 176.646 177.300 0.038 0.000 1.193 725 P CA 0.074 63.070 63.100 -0.173 0.000 0.765 725 P CB 0.745 32.322 31.700 -0.205 0.000 0.823 726 V N 0.123 120.062 119.914 0.041 0.000 2.841 726 V HA 0.803 4.917 4.120 -0.010 0.000 0.310 726 V C 0.749 176.884 176.094 0.069 0.000 1.090 726 V CA -0.253 62.107 62.300 0.100 0.000 0.930 726 V CB 1.677 33.585 31.823 0.143 0.000 1.014 726 V HN 0.575 nan 8.190 nan 0.000 0.425 727 G N 2.134 110.978 108.800 0.073 0.000 2.524 727 G HA2 0.653 4.607 3.960 -0.010 0.000 0.210 727 G HA3 0.653 4.607 3.960 -0.010 0.000 0.210 727 G C 0.398 175.329 174.900 0.053 0.000 1.187 727 G CA 0.555 45.687 45.100 0.053 0.000 0.825 727 G HN 1.638 nan 8.290 nan 0.000 0.558 728 A N -1.334 121.523 122.820 0.061 0.000 2.594 728 A HA 0.672 4.986 4.320 -0.010 0.000 0.291 728 A C -1.658 175.963 177.584 0.062 0.000 1.105 728 A CA -0.394 51.675 52.037 0.053 0.000 0.694 728 A CB 1.577 20.602 19.000 0.042 0.000 1.291 728 A HN 0.432 nan 8.150 nan 0.000 0.410 729 V N 1.926 121.872 119.914 0.053 0.000 2.370 729 V HA 0.263 4.377 4.120 -0.010 0.000 0.283 729 V C 0.848 176.967 176.094 0.042 0.000 1.023 729 V CA -0.150 62.182 62.300 0.053 0.000 0.857 729 V CB 1.067 32.919 31.823 0.048 0.000 0.985 729 V HN 0.826 nan 8.190 nan 0.000 0.443 730 L N 4.413 125.660 121.223 0.041 0.000 2.162 730 L HA 0.231 4.565 4.340 -0.010 0.000 0.205 730 L C 0.981 177.867 176.870 0.027 0.000 1.086 730 L CA 0.846 55.705 54.840 0.032 0.000 0.778 730 L CB -0.090 41.988 42.059 0.032 0.000 0.928 730 L HN 0.786 nan 8.230 nan 0.000 0.446 731 R N -0.825 119.691 120.500 0.028 0.000 2.690 731 R HA 0.769 5.103 4.340 -0.010 0.000 0.269 731 R C -1.751 174.564 176.300 0.025 0.000 1.037 731 R CA -0.554 55.560 56.100 0.024 0.000 0.877 731 R CB 1.468 31.780 30.300 0.019 0.000 1.255 731 R HN -0.158 nan 8.270 nan 0.000 0.467 732 A N 1.380 124.214 122.820 0.024 0.000 2.547 732 A HA 0.517 4.831 4.320 -0.010 0.000 0.297 732 A C -1.485 176.116 177.584 0.028 0.000 1.056 732 A CA -0.943 51.110 52.037 0.026 0.000 0.688 732 A CB 1.562 20.576 19.000 0.023 0.000 1.282 732 A HN 0.737 nan 8.150 nan 0.000 0.400 733 D N 1.526 121.950 120.400 0.040 0.000 2.419 733 D HA 0.373 5.007 4.640 -0.010 0.000 0.236 733 D C 1.712 178.032 176.300 0.033 0.000 1.165 733 D CA 0.992 55.023 54.000 0.051 0.000 0.882 733 D CB 0.755 41.617 40.800 0.105 0.000 1.201 733 D HN 0.810 nan 8.370 nan 0.000 0.443 734 E N 0.511 120.730 120.200 0.031 0.000 2.209 734 E HA -0.183 4.161 4.350 -0.010 0.000 0.196 734 E C 1.659 178.256 176.600 -0.005 0.000 0.993 734 E CA 1.783 58.191 56.400 0.014 0.000 0.819 734 E CB -0.991 28.720 29.700 0.018 0.000 0.745 734 E HN 0.616 nan 8.360 nan 0.000 0.477 735 T N -2.491 112.057 114.554 -0.011 0.000 3.160 735 T HA 0.291 4.635 4.350 -0.010 0.000 0.257 735 T C 0.635 175.259 174.700 -0.127 0.000 1.147 735 T CA 0.465 62.508 62.100 -0.096 0.000 1.064 735 T CB 0.089 68.828 68.868 -0.216 0.000 0.949 735 T HN 0.157 nan 8.240 nan 0.000 0.526 736 V N 1.764 121.642 119.914 -0.060 0.000 2.334 736 V HA 0.404 4.518 4.120 -0.010 0.000 0.281 736 V C -0.183 175.891 176.094 -0.033 0.000 1.016 736 V CA -1.124 61.147 62.300 -0.048 0.000 0.832 736 V CB 1.439 33.260 31.823 -0.004 0.000 0.999 736 V HN 0.422 nan 8.190 nan 0.000 0.439 737 E N 4.847 125.019 120.200 -0.046 0.000 2.197 737 E HA 0.400 4.744 4.350 -0.010 0.000 0.281 737 E C -0.903 175.671 176.600 -0.044 0.000 0.995 737 E CA -0.819 55.556 56.400 -0.043 0.000 0.808 737 E CB 1.158 30.824 29.700 -0.056 0.000 1.093 737 E HN 0.471 nan 8.360 nan 0.000 0.394 738 I N 6.614 127.167 120.570 -0.028 0.000 2.352 738 I HA 0.028 4.192 4.170 -0.010 0.000 0.290 738 I C 0.973 177.061 176.117 -0.048 0.000 1.036 738 I CA 0.255 61.545 61.300 -0.018 0.000 1.336 738 I CB 0.681 38.687 38.000 0.009 0.000 1.407 738 I HN 0.760 nan 8.210 nan 0.000 0.497 739 L N 4.903 126.071 121.223 -0.092 0.000 2.357 739 L HA 0.399 4.733 4.340 -0.010 0.000 0.211 739 L C 0.810 177.664 176.870 -0.027 0.000 1.075 739 L CA 0.329 55.085 54.840 -0.140 0.000 0.830 739 L CB 0.069 41.868 42.059 -0.433 0.000 0.996 739 L HN 0.728 nan 8.230 nan 0.000 0.467 740 A N -0.294 122.556 122.820 0.050 0.000 2.589 740 A HA 0.638 4.952 4.320 -0.010 0.000 0.296 740 A C -0.455 177.188 177.584 0.098 0.000 1.062 740 A CA -0.220 51.871 52.037 0.090 0.000 0.686 740 A CB 1.287 20.374 19.000 0.145 0.000 1.282 740 A HN 0.071 nan 8.150 nan 0.000 0.404 741 T N -1.630 112.967 114.554 0.071 0.000 2.724 741 T HA 0.969 5.313 4.350 -0.010 0.000 0.274 741 T C 0.764 175.490 174.700 0.043 0.000 0.984 741 T CA 0.270 62.410 62.100 0.068 0.000 1.024 741 T CB 1.247 70.153 68.868 0.062 0.000 1.320 741 T HN 2.658 nan 8.240 nan 0.000 0.555 742 G N 1.381 110.199 108.800 0.029 0.000 2.680 742 G HA2 -0.176 3.778 3.960 -0.010 0.000 0.222 742 G HA3 -0.176 3.778 3.960 -0.010 0.000 0.222 742 G C 0.706 175.595 174.900 -0.019 0.000 1.460 742 G CA 0.619 45.723 45.100 0.007 0.000 1.275 742 G HN 0.960 nan 8.290 nan 0.000 0.506 743 R N 2.278 122.759 120.500 -0.032 0.000 2.193 743 R HA 0.261 4.595 4.340 -0.010 0.000 0.213 743 R C 1.202 177.444 176.300 -0.097 0.000 1.055 743 R CA 1.842 57.900 56.100 -0.070 0.000 0.995 743 R CB -0.295 29.966 30.300 -0.064 0.000 0.893 743 R HN 0.903 nan 8.270 nan 0.000 0.459 744 R N -1.277 119.191 120.500 -0.054 0.000 2.734 744 R HA 0.360 4.694 4.340 -0.010 0.000 0.271 744 R C -1.646 174.680 176.300 0.043 0.000 1.021 744 R CA -1.092 54.974 56.100 -0.055 0.000 0.893 744 R CB 0.343 30.601 30.300 -0.070 0.000 1.244 744 R HN 0.002 nan 8.270 nan 0.000 0.464 745 L N 1.390 122.681 121.223 0.114 0.000 2.275 745 L HA 0.414 4.747 4.340 -0.010 0.000 0.288 745 L C -0.938 176.078 176.870 0.244 0.000 1.046 745 L CA -0.016 54.951 54.840 0.212 0.000 0.805 745 L CB 0.839 43.112 42.059 0.358 0.000 1.193 745 L HN 0.730 nan 8.230 nan 0.000 0.426 746 H N 5.830 124.953 119.070 0.088 0.000 2.727 746 H HA 0.583 5.133 4.556 -0.010 0.000 0.330 746 H C -1.526 173.833 175.328 0.051 0.000 0.986 746 H CA -0.893 55.192 56.048 0.062 0.000 1.251 746 H CB 1.096 30.880 29.762 0.036 0.000 1.493 746 H HN 0.618 nan 8.280 nan 0.000 0.515 747 L N 4.261 125.571 121.223 0.145 0.000 2.341 747 L HA 0.551 4.885 4.340 -0.010 0.000 0.267 747 L C -0.371 176.469 176.870 -0.050 0.000 1.009 747 L CA -0.995 53.849 54.840 0.008 0.000 0.819 747 L CB 2.547 44.636 42.059 0.051 0.000 1.323 747 L HN 0.490 nan 8.230 nan 0.000 0.425 748 R N 1.117 121.565 120.500 -0.086 0.000 2.534 748 R HA 0.774 5.108 4.340 -0.010 0.000 0.301 748 R C -1.902 174.356 176.300 -0.070 0.000 0.961 748 R CA -0.499 55.555 56.100 -0.076 0.000 0.871 748 R CB 2.058 32.297 30.300 -0.101 0.000 1.170 748 R HN 0.459 nan 8.270 nan 0.000 0.446 749 V N 3.320 123.189 119.914 -0.075 0.000 2.483 749 V HA 0.275 4.389 4.120 -0.010 0.000 0.297 749 V C -0.226 175.776 176.094 -0.154 0.000 1.027 749 V CA -0.895 61.327 62.300 -0.131 0.000 0.855 749 V CB 1.936 33.678 31.823 -0.135 0.000 0.995 749 V HN 0.933 nan 8.190 nan 0.000 0.424 750 T N 3.449 117.893 114.554 -0.183 0.000 2.738 750 T HA 0.266 4.609 4.350 -0.010 0.000 0.294 750 T C -1.478 173.069 174.700 -0.255 0.000 0.914 750 T CA -1.352 60.655 62.100 -0.155 0.000 1.052 750 T CB 1.172 69.978 68.868 -0.103 0.000 0.897 750 T HN 0.561 nan 8.240 nan 0.000 0.522 751 P HA 0.188 nan 4.420 nan 0.000 0.235 751 P C 1.056 178.428 177.300 0.120 0.000 1.177 751 P CA 0.539 63.579 63.100 -0.100 0.000 0.785 751 P CB -0.184 31.514 31.700 -0.003 0.000 0.885 752 G N 0.314 109.147 108.800 0.054 0.000 2.750 752 G HA2 -0.177 3.777 3.960 -0.010 0.000 0.228 752 G HA3 -0.177 3.777 3.960 -0.010 0.000 0.228 752 G C 0.280 175.217 174.900 0.062 0.000 1.367 752 G CA -0.066 45.081 45.100 0.079 0.000 0.871 752 G HN 0.356 nan 8.290 nan 0.000 0.560 753 V N -2.984 116.965 119.914 0.057 0.000 3.166 753 V HA 0.567 4.681 4.120 -0.010 0.000 0.332 753 V C 1.464 177.586 176.094 0.046 0.000 1.434 753 V CA 1.276 63.603 62.300 0.045 0.000 1.121 753 V CB 0.250 32.101 31.823 0.047 0.000 1.062 753 V HN 2.198 nan 8.190 nan 0.000 0.489 754 V N -3.793 116.149 119.914 0.047 0.000 3.176 754 V HA 0.415 4.529 4.120 -0.010 0.000 0.332 754 V C 1.010 177.102 176.094 -0.003 0.000 1.414 754 V CA 0.056 62.379 62.300 0.040 0.000 1.133 754 V CB -1.009 30.857 31.823 0.072 0.000 1.088 754 V HN 0.723 nan 8.190 nan 0.000 0.473 755 C N 1.393 120.679 119.300 -0.023 0.000 4.454 755 C HA -0.175 4.279 4.460 -0.010 0.000 0.301 755 C C 0.883 175.815 174.990 -0.097 0.000 1.366 755 C CA 1.069 60.046 59.018 -0.070 0.000 2.016 755 C CB -2.767 24.918 27.740 -0.093 0.000 1.253 755 C HN 0.879 nan 8.230 nan 0.000 0.770 756 T N 2.616 117.098 114.554 -0.121 0.000 2.913 756 T HA 0.364 4.708 4.350 -0.010 0.000 0.297 756 T C 0.651 175.096 174.700 -0.425 0.000 1.029 756 T CA 0.600 62.542 62.100 -0.263 0.000 1.104 756 T CB 1.013 69.693 68.868 -0.314 0.000 0.964 756 T HN 0.588 nan 8.240 nan 0.000 0.532 757 T N 3.557 117.890 114.554 -0.368 0.000 2.743 757 T HA 0.291 4.635 4.350 -0.010 0.000 0.293 757 T C -0.312 174.156 174.700 -0.387 0.000 0.945 757 T CA -0.385 61.543 62.100 -0.287 0.000 1.030 757 T CB 0.032 68.811 68.868 -0.149 0.000 0.912 757 T HN 0.506 nan 8.240 nan 0.000 0.483 758 H N 1.585 120.641 119.070 -0.024 0.000 2.463 758 H HA 0.516 5.066 4.556 -0.010 0.000 0.332 758 H C 0.349 175.665 175.328 -0.019 0.000 1.127 758 H CA -0.888 55.149 56.048 -0.018 0.000 1.238 758 H CB 1.144 30.898 29.762 -0.013 0.000 1.478 758 H HN 0.661 nan 8.280 nan 0.000 0.499 759 E N 1.205 121.458 120.200 0.089 0.000 2.359 759 E HA 0.648 4.992 4.350 -0.010 0.000 0.266 759 E C -1.173 175.449 176.600 0.037 0.000 0.920 759 E CA -1.180 55.242 56.400 0.036 0.000 0.788 759 E CB 2.334 32.036 29.700 0.005 0.000 1.279 759 E HN 0.476 nan 8.360 nan 0.000 0.438 760 C N 1.206 120.517 119.300 0.017 0.000 2.752 760 C HA 0.462 4.916 4.460 -0.010 0.000 0.360 760 C C -1.409 173.587 174.990 0.010 0.000 1.081 760 C CA -0.227 58.804 59.018 0.022 0.000 1.272 760 C CB 0.978 28.736 27.740 0.030 0.000 1.754 760 C HN 0.978 nan 8.230 nan 0.000 0.483 761 E N 3.532 123.745 120.200 0.021 0.000 2.199 761 E HA 0.785 5.128 4.350 -0.010 0.000 0.269 761 E C -0.814 175.813 176.600 0.046 0.000 0.899 761 E CA -0.524 55.889 56.400 0.022 0.000 0.772 761 E CB 1.890 31.601 29.700 0.018 0.000 1.155 761 E HN 0.903 nan 8.360 nan 0.000 0.408 762 V N 0.377 120.330 119.914 0.065 0.000 3.078 762 V HA 0.612 4.726 4.120 -0.010 0.000 0.311 762 V C -0.358 175.795 176.094 0.099 0.000 1.138 762 V CA -0.837 61.520 62.300 0.096 0.000 1.007 762 V CB 1.733 33.647 31.823 0.152 0.000 1.045 762 V HN 0.630 nan 8.190 nan 0.000 0.432 763 T N 3.911 118.520 114.554 0.093 0.000 2.856 763 T HA 0.621 4.965 4.350 -0.010 0.000 0.292 763 T C -0.088 174.678 174.700 0.110 0.000 0.980 763 T CA -0.142 62.010 62.100 0.087 0.000 1.091 763 T CB 0.696 69.603 68.868 0.065 0.000 0.936 763 T HN 0.598 nan 8.240 nan 0.000 0.503 764 L N 2.395 123.687 121.223 0.114 0.000 2.357 764 L HA 0.507 4.841 4.340 -0.010 0.000 0.273 764 L C 0.635 177.580 176.870 0.125 0.000 1.080 764 L CA -0.536 54.393 54.840 0.149 0.000 0.803 764 L CB 1.287 43.442 42.059 0.161 0.000 1.174 764 L HN 0.631 nan 8.230 nan 0.000 0.443 765 S N 0.000 115.775 115.700 0.125 0.000 2.498 765 S HA 0.000 4.464 4.470 -0.010 0.000 0.327 765 S CA 0.000 58.236 58.200 0.061 0.000 1.107 765 S CB 0.000 63.212 63.200 0.019 0.000 0.593 765 S HN 0.000 nan 8.310 nan 0.000 0.517