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 3lrm_1_C DATA FIRST_RESID 19 DATA SEQUENCE VSPSYNGLGL TPQMGWDNWN TFAcDVSEQL LLDTADRISD LGLKDMGYKY DATA SEQUENCE IILDDcWSSG RDSDGFLVAD EQKFPNGMGH VADHLHNNSF LFGMYSSAGE DATA SEQUENCE YTcAGYPGSL GREEEDAQFF ANNRVDYLKY ANcYNKGQFG TPEISYHRYK DATA SEQUENCE AMSDALNKTG RPVFYSLCNW GQDLTFYWGS GIANSWRMSG DVTAEFTRPD DATA SEQUENCE SRcPcDGDEY DcKYAGFHcS IMNILNKAAP MGQNAGVGGW NDLDNLEVGV DATA SEQUENCE GNLTDDEEKA HFSMWAMVKS PLIIGANVNN LKASSYSIYS QASVIAINQD DATA SEQUENCE SNGIPATRVW RYYVSDTDEY GQGEIQMWSG PLDNGDQVVA LLNGGSVSRP DATA SEQUENCE MNTTLEEIFF DSNLGSKKLT STWDIYDLWA NRVDNSTASA ILGRNKTATG DATA SEQUENCE ILYNATEQSY KDGLSKNDTR LFGQKIGSLS PNAILNTTVP AHGIAFYRLR DATA SEQUENCE PS 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 19 V HA 0.000 nan 4.120 nan 0.000 0.244 19 V C 0.000 176.095 176.094 0.002 0.000 1.182 19 V CA 0.000 62.300 62.300 0.000 0.000 1.235 19 V CB 0.000 31.828 31.823 0.008 0.000 1.184 20 S N 1.787 117.483 115.700 -0.007 0.000 2.565 20 S HA 0.898 5.369 4.470 0.001 0.000 0.269 20 S C -3.142 171.459 174.600 0.001 0.000 1.153 20 S CA -0.954 57.249 58.200 0.004 0.000 0.835 20 S CB 1.899 65.106 63.200 0.011 0.000 1.122 20 S HN 1.101 nan 8.310 nan 0.000 0.462 21 P HA 0.221 nan 4.420 nan 0.000 0.269 21 P C -0.031 177.283 177.300 0.024 0.000 1.215 21 P CA -0.157 62.952 63.100 0.015 0.000 0.780 21 P CB 0.450 32.162 31.700 0.020 0.000 0.898 22 S N 1.212 116.920 115.700 0.012 0.000 2.544 22 S HA -0.059 4.412 4.470 0.001 0.000 0.290 22 S C 1.365 175.995 174.600 0.051 0.000 1.276 22 S CA -0.377 57.839 58.200 0.028 0.000 1.075 22 S CB -0.483 62.712 63.200 -0.008 0.000 0.849 22 S HN 0.506 nan 8.310 nan 0.000 0.494 23 Y N 4.887 125.174 120.300 -0.022 0.000 2.315 23 Y HA -0.084 4.467 4.550 0.001 0.000 0.288 23 Y C 1.379 177.278 175.900 -0.002 0.000 1.154 23 Y CA 1.701 59.801 58.100 -0.000 0.000 1.229 23 Y CB -0.209 38.264 38.460 0.020 0.000 0.980 23 Y HN 0.759 nan 8.280 nan 0.000 0.540 24 N N -0.831 117.402 118.700 -0.779 0.000 2.143 24 N HA 0.198 4.938 4.740 0.001 0.000 0.229 24 N C 1.209 176.534 175.510 -0.309 0.000 1.294 24 N CA 0.354 52.977 53.050 -0.711 0.000 0.883 24 N CB 0.511 38.311 38.487 -1.145 0.000 1.148 24 N HN 0.512 nan 8.380 nan 0.000 0.511 25 G N 0.463 109.154 108.800 -0.182 0.000 2.205 25 G HA2 -0.262 3.698 3.960 0.001 0.000 0.261 25 G HA3 -0.262 3.698 3.960 0.001 0.000 0.261 25 G C -0.284 174.606 174.900 -0.018 0.000 0.980 25 G CA 0.669 45.728 45.100 -0.068 0.000 0.632 25 G HN 0.333 nan 8.290 nan 0.000 0.533 26 L N -0.382 120.809 121.223 -0.053 0.000 2.400 26 L HA 0.642 4.982 4.340 0.001 0.000 0.264 26 L C 1.679 178.570 176.870 0.035 0.000 1.061 26 L CA -0.053 54.807 54.840 0.035 0.000 0.799 26 L CB 1.327 43.399 42.059 0.023 0.000 1.240 26 L HN 1.005 nan 8.230 nan 0.000 0.461 27 G N 0.993 109.940 108.800 0.245 0.000 2.246 27 G HA2 -0.240 3.721 3.960 0.001 0.000 0.273 27 G HA3 -0.240 3.721 3.960 0.001 0.000 0.273 27 G C 0.573 175.751 174.900 0.463 0.000 1.055 27 G CA 0.283 45.642 45.100 0.432 0.000 0.851 27 G HN 0.533 nan 8.290 nan 0.000 0.500 28 L N -0.192 121.239 121.223 0.347 0.000 2.275 28 L HA 0.089 4.429 4.340 0.001 0.000 0.215 28 L C 1.911 179.052 176.870 0.452 0.000 1.119 28 L CA 1.684 56.710 54.840 0.311 0.000 0.790 28 L CB -0.585 41.596 42.059 0.203 0.000 0.919 28 L HN 0.691 nan 8.230 nan 0.000 0.443 29 T N -4.540 110.263 114.554 0.415 0.000 2.887 29 T HA 0.512 4.862 4.350 0.001 0.000 0.292 29 T C -2.811 171.886 174.700 -0.005 0.000 1.087 29 T CA -2.270 59.938 62.100 0.181 0.000 1.009 29 T CB 1.983 70.864 68.868 0.021 0.000 1.203 29 T HN -0.338 nan 8.240 nan 0.000 0.518 30 P HA 0.113 nan 4.420 nan 0.000 0.268 30 P C -0.024 177.166 177.300 -0.183 0.000 1.205 30 P CA -0.287 62.394 63.100 -0.698 0.000 0.771 30 P CB 0.350 31.530 31.700 -0.867 0.000 0.858 31 Q N 3.663 123.426 119.800 -0.061 0.000 2.421 31 Q HA 0.229 4.569 4.340 0.001 0.000 0.255 31 Q C -0.814 175.130 176.000 -0.093 0.000 1.013 31 Q CA 0.586 56.304 55.803 -0.142 0.000 0.895 31 Q CB 0.477 28.799 28.738 -0.693 0.000 1.271 31 Q HN 0.441 nan 8.270 nan 0.000 0.460 32 M N 0.540 120.154 119.600 0.024 0.000 2.518 32 M HA 0.767 5.248 4.480 0.001 0.000 0.300 32 M C -0.156 176.278 176.300 0.223 0.000 1.175 32 M CA -0.331 54.988 55.300 0.031 0.000 0.890 32 M CB 2.843 35.319 32.600 -0.206 0.000 1.710 32 M HN 1.030 nan 8.290 nan 0.000 0.453 33 G N 0.775 109.800 108.800 0.375 0.000 2.452 33 G HA2 0.309 4.269 3.960 0.001 0.000 0.224 33 G HA3 0.309 4.269 3.960 0.001 0.000 0.224 33 G C -2.949 172.195 174.900 0.406 0.000 1.208 33 G CA -0.673 44.673 45.100 0.410 0.000 0.946 33 G HN 0.791 nan 8.290 nan 0.000 0.481 34 W N 0.943 122.282 121.300 0.066 0.000 3.217 34 W HA 0.683 5.344 4.660 0.001 0.000 0.323 34 W C -2.141 174.397 176.519 0.032 0.000 1.216 34 W CA -0.536 56.822 57.345 0.021 0.000 1.194 34 W CB 2.092 31.532 29.460 -0.033 0.000 1.397 34 W HN 0.612 nan 8.180 nan 0.000 0.537 35 D N 2.638 122.448 120.400 -0.983 0.000 2.819 35 D HA 0.144 4.784 4.640 0.001 0.000 0.232 35 D C 0.292 175.809 176.300 -1.305 0.000 1.160 35 D CA -0.346 53.113 54.000 -0.903 0.000 0.858 35 D CB 1.737 42.352 40.800 -0.309 0.000 1.610 35 D HN 0.661 nan 8.370 nan 0.000 0.481 36 N N 2.381 120.529 118.700 -0.920 0.000 2.467 36 N HA -0.050 4.690 4.740 0.001 0.000 0.184 36 N C 1.655 177.241 175.510 0.127 0.000 1.106 36 N CA -0.096 52.788 53.050 -0.277 0.000 0.892 36 N CB 0.084 38.607 38.487 0.060 0.000 0.969 36 N HN 0.476 nan 8.380 nan 0.000 0.454 37 W N 1.965 123.180 121.300 -0.141 0.000 2.353 37 W HA -0.120 4.540 4.660 0.000 0.000 0.319 37 W C 0.727 177.213 176.519 -0.055 0.000 1.207 37 W CA 1.196 58.506 57.345 -0.058 0.000 1.291 37 W CB -0.386 29.034 29.460 -0.066 0.000 1.159 37 W HN 0.119 nan 8.180 nan 0.000 0.478 38 N N -0.176 118.497 118.700 -0.044 0.000 2.322 38 N HA -0.186 4.554 4.740 0.001 0.000 0.189 38 N C 1.473 176.822 175.510 -0.269 0.000 1.012 38 N CA 2.842 55.808 53.050 -0.140 0.000 0.880 38 N CB -0.484 37.983 38.487 -0.033 0.000 0.967 38 N HN 0.410 nan 8.380 nan 0.000 0.439 39 T N -4.752 109.586 114.554 -0.361 0.000 3.125 39 T HA 0.174 4.524 4.350 0.001 0.000 0.252 39 T C 1.435 175.798 174.700 -0.563 0.000 0.981 39 T CA -0.229 61.547 62.100 -0.539 0.000 1.069 39 T CB -0.498 67.882 68.868 -0.813 0.000 1.091 39 T HN 0.049 nan 8.240 nan 0.000 0.460 40 F N 2.662 122.551 119.950 -0.102 0.000 2.754 40 F HA 0.677 5.205 4.527 0.001 0.000 0.297 40 F C 2.184 177.885 175.800 -0.165 0.000 1.122 40 F CA -0.127 57.830 58.000 -0.070 0.000 1.400 40 F CB -0.474 38.554 39.000 0.046 0.000 1.117 40 F HN 0.459 nan 8.300 nan 0.000 0.587 41 A N 0.350 123.003 122.820 -0.278 0.000 5.395 41 A HA -0.408 3.912 4.320 0.001 0.000 0.332 41 A C 1.856 179.436 177.584 -0.006 0.000 1.754 41 A CA 1.770 53.371 52.037 -0.726 0.000 0.716 41 A CB -1.894 16.588 19.000 -0.862 0.000 1.411 41 A HN 0.417 nan 8.150 nan 0.000 0.398 42 c N -0.319 118.329 118.600 0.081 0.000 2.432 42 c HA 0.112 4.682 4.570 0.001 0.000 0.280 42 c C 1.167 175.366 174.090 0.182 0.000 1.353 42 c CA 0.995 57.471 56.329 0.245 0.000 1.766 42 c CB -1.409 41.252 42.510 0.251 0.000 1.924 42 c HN 0.676 nan 8.230 nan 0.000 0.509 43 D N 0.855 121.338 120.400 0.139 0.000 2.348 43 D HA 0.313 4.954 4.640 0.001 0.000 0.259 43 D C -0.056 176.319 176.300 0.124 0.000 1.296 43 D CA 0.533 54.606 54.000 0.122 0.000 0.931 43 D CB 0.376 41.245 40.800 0.115 0.000 1.067 43 D HN 0.342 nan 8.370 nan 0.000 0.503 44 V N 0.482 120.447 119.914 0.084 0.000 3.181 44 V HA 0.953 5.074 4.120 0.001 0.000 0.308 44 V C -0.565 175.463 176.094 -0.110 0.000 1.214 44 V CA -0.751 61.584 62.300 0.057 0.000 1.053 44 V CB 1.930 33.893 31.823 0.234 0.000 1.069 44 V HN 0.508 nan 8.190 nan 0.000 0.441 45 S N -0.657 114.923 115.700 -0.201 0.000 2.615 45 S HA 0.408 4.879 4.470 0.001 0.000 0.268 45 S C 0.403 174.809 174.600 -0.323 0.000 1.146 45 S CA 0.086 58.005 58.200 -0.469 0.000 0.818 45 S CB 1.500 64.541 63.200 -0.266 0.000 1.111 45 S HN 1.184 nan 8.310 nan 0.000 0.465 46 E N 0.194 120.184 120.200 -0.350 0.000 2.110 46 E HA -0.247 4.103 4.350 0.001 0.000 0.193 46 E C 1.691 178.283 176.600 -0.014 0.000 0.988 46 E CA 1.670 58.098 56.400 0.046 0.000 0.804 46 E CB -0.144 29.617 29.700 0.101 0.000 0.745 46 E HN 0.577 nan 8.360 nan 0.000 0.458 47 Q N 0.534 120.283 119.800 -0.084 0.000 2.046 47 Q HA -0.144 4.196 4.340 0.001 0.000 0.200 47 Q C 2.190 178.117 176.000 -0.122 0.000 0.975 47 Q CA 1.355 57.100 55.803 -0.096 0.000 0.836 47 Q CB -0.453 28.230 28.738 -0.092 0.000 0.896 47 Q HN 0.371 nan 8.270 nan 0.000 0.428 48 L N -0.322 120.818 121.223 -0.139 0.000 2.013 48 L HA -0.181 4.160 4.340 0.001 0.000 0.212 48 L C 2.002 178.767 176.870 -0.176 0.000 1.073 48 L CA 1.718 56.438 54.840 -0.200 0.000 0.753 48 L CB -0.818 41.083 42.059 -0.264 0.000 0.890 48 L HN 0.377 nan 8.230 nan 0.000 0.432 49 L N -1.068 120.122 121.223 -0.054 0.000 1.994 49 L HA -0.191 4.150 4.340 0.001 0.000 0.208 49 L C 2.361 179.143 176.870 -0.147 0.000 1.071 49 L CA 1.867 56.709 54.840 0.004 0.000 0.745 49 L CB -0.539 41.626 42.059 0.176 0.000 0.892 49 L HN 0.279 nan 8.230 nan 0.000 0.431 50 L N -1.261 119.875 121.223 -0.144 0.000 2.072 50 L HA -0.182 4.159 4.340 0.001 0.000 0.205 50 L C 2.195 178.927 176.870 -0.231 0.000 1.079 50 L CA 0.987 55.696 54.840 -0.217 0.000 0.752 50 L CB -0.751 41.152 42.059 -0.260 0.000 0.906 50 L HN 0.248 nan 8.230 nan 0.000 0.436 51 D N -0.299 119.978 120.400 -0.205 0.000 2.092 51 D HA -0.169 4.472 4.640 0.001 0.000 0.193 51 D C 2.170 178.324 176.300 -0.243 0.000 0.994 51 D CA 1.740 55.626 54.000 -0.191 0.000 0.828 51 D CB -0.338 40.366 40.800 -0.161 0.000 0.963 51 D HN 0.180 nan 8.370 nan 0.000 0.450 52 T N 0.651 115.002 114.554 -0.338 0.000 2.684 52 T HA -0.166 4.184 4.350 0.001 0.000 0.267 52 T C 1.971 176.347 174.700 -0.540 0.000 1.036 52 T CA 1.697 63.488 62.100 -0.515 0.000 1.148 52 T CB -0.437 67.926 68.868 -0.842 0.000 0.863 52 T HN 0.218 nan 8.240 nan 0.000 0.436 53 A N 2.215 124.721 122.820 -0.522 0.000 1.873 53 A HA -0.231 4.089 4.320 0.001 0.000 0.218 53 A C 2.108 179.568 177.584 -0.207 0.000 1.193 53 A CA 2.170 53.849 52.037 -0.596 0.000 0.629 53 A CB -0.905 17.732 19.000 -0.605 0.000 0.826 53 A HN 0.404 nan 8.150 nan 0.000 0.447 54 D N -0.879 119.448 120.400 -0.121 0.000 2.104 54 D HA -0.180 4.460 4.640 0.001 0.000 0.194 54 D C 2.060 178.345 176.300 -0.025 0.000 0.994 54 D CA 1.762 55.754 54.000 -0.014 0.000 0.830 54 D CB -0.393 40.373 40.800 -0.057 0.000 0.959 54 D HN 0.452 nan 8.370 nan 0.000 0.452 55 R N 0.817 121.252 120.500 -0.109 0.000 2.083 55 R HA -0.068 4.273 4.340 0.001 0.000 0.237 55 R C 2.291 178.540 176.300 -0.086 0.000 1.137 55 R CA 1.045 57.075 56.100 -0.116 0.000 0.951 55 R CB -0.782 29.414 30.300 -0.173 0.000 0.851 55 R HN 0.203 nan 8.270 nan 0.000 0.434 56 I N -0.042 120.462 120.570 -0.109 0.000 2.208 56 I HA -0.286 3.884 4.170 0.001 0.000 0.245 56 I C 2.437 178.639 176.117 0.142 0.000 1.097 56 I CA 1.690 62.979 61.300 -0.018 0.000 1.363 56 I CB -0.415 37.548 38.000 -0.063 0.000 1.051 56 I HN 0.302 nan 8.210 nan 0.000 0.413 57 S N 0.427 116.272 115.700 0.242 0.000 2.356 57 S HA -0.212 4.259 4.470 0.001 0.000 0.223 57 S C 1.710 176.344 174.600 0.057 0.000 1.032 57 S CA 1.756 60.041 58.200 0.141 0.000 1.005 57 S CB -0.247 63.039 63.200 0.145 0.000 0.867 57 S HN 0.370 nan 8.310 nan 0.000 0.449 58 D N 1.214 121.637 120.400 0.038 0.000 2.144 58 D HA -0.013 4.627 4.640 0.001 0.000 0.199 58 D C 1.678 177.990 176.300 0.021 0.000 0.984 58 D CA 0.830 54.837 54.000 0.011 0.000 0.834 58 D CB -0.327 40.464 40.800 -0.015 0.000 0.955 58 D HN 0.402 nan 8.370 nan 0.000 0.465 59 L N -0.518 120.722 121.223 0.028 0.000 2.610 59 L HA 0.111 4.451 4.340 0.001 0.000 0.232 59 L C 1.611 178.591 176.870 0.185 0.000 1.149 59 L CA 0.509 55.398 54.840 0.081 0.000 0.872 59 L CB -0.261 41.825 42.059 0.044 0.000 0.992 59 L HN 0.141 nan 8.230 nan 0.000 0.447 60 G N -0.203 108.669 108.800 0.121 0.000 2.179 60 G HA2 -0.310 3.651 3.960 0.001 0.000 0.260 60 G HA3 -0.310 3.651 3.960 0.001 0.000 0.260 60 G C 0.876 175.867 174.900 0.150 0.000 0.977 60 G CA 0.482 45.650 45.100 0.113 0.000 0.641 60 G HN 0.334 nan 8.290 nan 0.000 0.533 61 L N 0.060 121.390 121.223 0.179 0.000 2.093 61 L HA 0.022 4.363 4.340 0.001 0.000 0.208 61 L C 2.782 179.857 176.870 0.342 0.000 1.085 61 L CA 1.926 56.914 54.840 0.247 0.000 0.755 61 L CB -0.407 41.682 42.059 0.049 0.000 0.904 61 L HN 0.381 nan 8.230 nan 0.000 0.435 62 K N 0.428 120.959 120.400 0.218 0.000 2.044 62 K HA -0.240 4.081 4.320 0.001 0.000 0.210 62 K C 1.364 177.989 176.600 0.043 0.000 1.049 62 K CA 2.010 58.368 56.287 0.119 0.000 0.927 62 K CB -0.072 32.312 32.500 -0.193 0.000 0.713 62 K HN 0.279 nan 8.250 nan 0.000 0.443 63 D N 0.143 120.556 120.400 0.021 0.000 2.363 63 D HA -0.058 4.583 4.640 0.001 0.000 0.226 63 D C 1.515 177.845 176.300 0.050 0.000 1.020 63 D CA 0.658 54.652 54.000 -0.010 0.000 0.892 63 D CB 0.167 40.940 40.800 -0.045 0.000 0.900 63 D HN 0.405 nan 8.370 nan 0.000 0.531 64 M N -1.109 118.589 119.600 0.164 0.000 2.541 64 M HA 0.122 4.603 4.480 0.001 0.000 0.252 64 M C 1.349 177.770 176.300 0.202 0.000 1.125 64 M CA 0.678 56.128 55.300 0.249 0.000 1.091 64 M CB 0.894 33.713 32.600 0.366 0.000 1.420 64 M HN 0.139 nan 8.290 nan 0.000 0.486 65 G N -0.772 108.091 108.800 0.105 0.000 2.551 65 G HA2 -0.189 3.771 3.960 0.001 0.000 0.186 65 G HA3 -0.189 3.771 3.960 0.001 0.000 0.186 65 G C -0.230 174.659 174.900 -0.019 0.000 1.002 65 G CA -0.716 44.397 45.100 0.022 0.000 0.723 65 G HN 0.376 nan 8.290 nan 0.000 0.481 66 Y N 2.584 122.975 120.300 0.152 0.000 2.758 66 Y HA 0.347 4.898 4.550 0.001 0.000 0.351 66 Y C 1.900 177.931 175.900 0.219 0.000 1.214 66 Y CA 0.701 58.908 58.100 0.178 0.000 1.983 66 Y CB 0.020 38.581 38.460 0.169 0.000 2.062 66 Y HN 0.229 nan 8.280 nan 0.000 0.416 67 K N 0.215 120.751 120.400 0.227 0.000 2.186 67 K HA -0.014 4.306 4.320 0.001 0.000 0.202 67 K C -0.473 176.218 176.600 0.152 0.000 1.052 67 K CA 0.478 56.839 56.287 0.123 0.000 0.965 67 K CB 0.194 32.593 32.500 -0.168 0.000 0.746 67 K HN 0.299 nan 8.250 nan 0.000 0.457 68 Y N 1.451 121.835 120.300 0.140 0.000 2.404 68 Y HA 0.116 4.667 4.550 0.001 0.000 0.344 68 Y C 0.179 176.090 175.900 0.018 0.000 0.995 68 Y CA -0.687 57.400 58.100 -0.022 0.000 1.201 68 Y CB 0.517 38.766 38.460 -0.352 0.000 1.151 68 Y HN -0.103 nan 8.280 nan 0.000 0.517 69 I N 6.525 127.192 120.570 0.162 0.000 2.291 69 I HA 0.206 4.376 4.170 0.001 0.000 0.290 69 I C -0.204 176.017 176.117 0.173 0.000 1.050 69 I CA -0.630 60.781 61.300 0.185 0.000 1.245 69 I CB 0.181 38.191 38.000 0.017 0.000 1.405 69 I HN 0.508 nan 8.210 nan 0.000 0.478 70 I N 6.962 127.590 120.570 0.097 0.000 2.328 70 I HA 0.214 4.384 4.170 0.001 0.000 0.287 70 I C -0.062 176.053 176.117 -0.003 0.000 1.012 70 I CA -0.753 60.518 61.300 -0.049 0.000 1.195 70 I CB 1.496 39.398 38.000 -0.164 0.000 1.350 70 I HN 0.326 nan 8.210 nan 0.000 0.464 71 L N 6.601 127.835 121.223 0.018 0.000 2.319 71 L HA 0.334 4.674 4.340 0.001 0.000 0.280 71 L C -0.144 176.758 176.870 0.053 0.000 1.099 71 L CA 0.644 55.529 54.840 0.074 0.000 0.828 71 L CB 0.821 42.932 42.059 0.086 0.000 1.150 71 L HN 0.576 nan 8.230 nan 0.000 0.442 72 D N 1.897 122.348 120.400 0.084 0.000 2.390 72 D HA 0.158 4.798 4.640 0.001 0.000 0.279 72 D C -0.552 175.703 176.300 -0.076 0.000 1.193 72 D CA -0.228 53.743 54.000 -0.049 0.000 1.112 72 D CB 0.508 41.266 40.800 -0.070 0.000 1.182 72 D HN 0.703 nan 8.370 nan 0.000 0.569 73 D N -1.351 118.767 120.400 -0.469 0.000 2.398 73 D HA 0.141 4.781 4.640 0.001 0.000 0.247 73 D C -0.197 176.091 176.300 -0.020 0.000 1.227 73 D CA -0.147 53.644 54.000 -0.349 0.000 0.980 73 D CB 0.560 40.987 40.800 -0.621 0.000 1.106 73 D HN 0.608 nan 8.370 nan 0.000 0.493 74 c N 1.201 119.569 118.600 -0.386 0.000 4.533 74 c HA -0.101 4.470 4.570 0.001 0.000 0.304 74 c C 1.339 175.279 174.090 -0.250 0.000 1.316 74 c CA 0.002 55.824 56.329 -0.845 0.000 2.053 74 c CB -2.659 39.722 42.510 -0.215 0.000 1.242 74 c HN 0.728 nan 8.230 nan 0.000 0.758 75 W N 0.535 121.738 121.300 -0.162 0.000 2.873 75 W HA 0.341 5.001 4.660 0.001 0.000 0.282 75 W C 0.615 177.268 176.519 0.224 0.000 1.118 75 W CA 0.630 58.099 57.345 0.206 0.000 1.480 75 W CB -1.201 28.364 29.460 0.174 0.000 0.954 75 W HN 0.614 nan 8.180 nan 0.000 0.591 76 S N 1.400 116.671 115.700 -0.714 0.000 2.672 76 S HA 0.391 4.862 4.470 0.001 0.000 0.276 76 S C 0.889 175.473 174.600 -0.028 0.000 1.207 76 S CA 0.237 58.097 58.200 -0.567 0.000 1.002 76 S CB 1.890 64.431 63.200 -1.098 0.000 0.998 76 S HN 0.160 nan 8.310 nan 0.000 0.542 77 S N -0.125 115.594 115.700 0.031 0.000 2.524 77 S HA 0.607 5.077 4.470 0.001 0.000 0.222 77 S C 0.920 175.548 174.600 0.048 0.000 1.040 77 S CA 0.165 58.427 58.200 0.104 0.000 0.915 77 S CB -0.175 63.092 63.200 0.113 0.000 0.831 77 S HN 1.631 nan 8.310 nan 0.000 0.492 78 G N 0.624 109.420 108.800 -0.007 0.000 2.367 78 G HA2 0.410 4.370 3.960 0.001 0.000 0.272 78 G HA3 0.410 4.370 3.960 0.001 0.000 0.272 78 G C -1.948 172.921 174.900 -0.050 0.000 1.271 78 G CA -1.136 43.952 45.100 -0.020 0.000 0.893 78 G HN 0.240 nan 8.290 nan 0.000 0.485 79 R N 0.560 121.042 120.500 -0.029 0.000 2.637 79 R HA 0.509 4.849 4.340 0.001 0.000 0.291 79 R C -0.717 175.590 176.300 0.013 0.000 0.963 79 R CA -0.619 55.464 56.100 -0.029 0.000 0.901 79 R CB 1.860 32.136 30.300 -0.039 0.000 1.160 79 R HN 0.803 nan 8.270 nan 0.000 0.457 80 D N 0.249 120.675 120.400 0.043 0.000 2.447 80 D HA -0.004 4.637 4.640 0.001 0.000 0.265 80 D C 0.936 177.275 176.300 0.064 0.000 1.250 80 D CA -0.452 53.585 54.000 0.062 0.000 1.046 80 D CB 0.435 41.286 40.800 0.085 0.000 1.095 80 D HN 0.375 nan 8.370 nan 0.000 0.555 81 S N -0.945 114.790 115.700 0.058 0.000 2.387 81 S HA -0.237 4.234 4.470 0.001 0.000 0.230 81 S C 1.060 175.701 174.600 0.070 0.000 1.035 81 S CA 1.306 59.536 58.200 0.051 0.000 1.014 81 S CB -0.500 62.724 63.200 0.039 0.000 0.836 81 S HN 0.509 nan 8.310 nan 0.000 0.466 82 D N 1.092 121.557 120.400 0.107 0.000 2.349 82 D HA 0.309 4.949 4.640 0.001 0.000 0.224 82 D C 1.565 178.003 176.300 0.230 0.000 1.029 82 D CA 0.795 54.897 54.000 0.169 0.000 0.879 82 D CB -0.117 40.791 40.800 0.180 0.000 0.906 82 D HN 0.587 nan 8.370 nan 0.000 0.528 83 G N -0.003 108.881 108.800 0.140 0.000 2.267 83 G HA2 -0.315 3.645 3.960 0.001 0.000 0.257 83 G HA3 -0.315 3.645 3.960 0.001 0.000 0.257 83 G C 0.392 175.301 174.900 0.015 0.000 0.998 83 G CA -0.138 44.994 45.100 0.054 0.000 0.620 83 G HN 0.281 nan 8.290 nan 0.000 0.529 84 F N 0.987 120.917 119.950 -0.034 0.000 2.545 84 F HA 0.511 5.039 4.527 0.001 0.000 0.348 84 F C 1.493 177.197 175.800 -0.159 0.000 1.163 84 F CA -0.223 57.741 58.000 -0.061 0.000 1.331 84 F CB 0.381 39.400 39.000 0.032 0.000 1.138 84 F HN 0.079 nan 8.300 nan 0.000 0.602 85 L N 2.190 123.267 121.223 -0.244 0.000 2.439 85 L HA 0.307 4.647 4.340 0.001 0.000 0.269 85 L C -0.477 176.202 176.870 -0.319 0.000 1.179 85 L CA -0.302 54.260 54.840 -0.464 0.000 0.828 85 L CB 0.501 42.028 42.059 -0.887 0.000 1.106 85 L HN 0.213 nan 8.230 nan 0.000 0.467 86 V N 2.316 122.141 119.914 -0.148 0.000 2.483 86 V HA 0.502 4.622 4.120 0.001 0.000 0.297 86 V C 0.190 176.364 176.094 0.134 0.000 1.027 86 V CA -0.788 61.551 62.300 0.065 0.000 0.855 86 V CB 1.654 33.523 31.823 0.077 0.000 0.995 86 V HN 0.866 nan 8.190 nan 0.000 0.424 87 A N 3.142 126.196 122.820 0.391 0.000 2.440 87 A HA 0.307 4.628 4.320 0.001 0.000 0.251 87 A C 0.341 178.166 177.584 0.402 0.000 1.089 87 A CA -0.190 52.173 52.037 0.542 0.000 0.779 87 A CB 0.141 19.536 19.000 0.658 0.000 1.022 87 A HN 0.857 nan 8.150 nan 0.000 0.492 88 D N 2.504 123.157 120.400 0.421 0.000 2.356 88 D HA -0.057 4.584 4.640 0.001 0.000 0.272 88 D C 1.408 177.904 176.300 0.327 0.000 1.337 88 D CA 0.366 54.560 54.000 0.323 0.000 0.970 88 D CB 0.493 41.473 40.800 0.300 0.000 1.092 88 D HN 0.706 nan 8.370 nan 0.000 0.516 89 E N 2.814 123.152 120.200 0.231 0.000 2.265 89 E HA -0.228 4.122 4.350 0.001 0.000 0.196 89 E C 0.985 177.651 176.600 0.109 0.000 0.996 89 E CA 0.503 57.014 56.400 0.185 0.000 0.832 89 E CB 0.034 29.817 29.700 0.139 0.000 0.756 89 E HN 0.433 nan 8.360 nan 0.000 0.491 90 Q N 1.328 121.178 119.800 0.083 0.000 2.084 90 Q HA -0.082 4.258 4.340 0.001 0.000 0.202 90 Q C 1.876 177.848 176.000 -0.046 0.000 0.978 90 Q CA 1.532 57.351 55.803 0.026 0.000 0.844 90 Q CB -0.125 28.634 28.738 0.034 0.000 0.898 90 Q HN 0.414 nan 8.270 nan 0.000 0.426 91 K N -0.986 119.360 120.400 -0.090 0.000 2.186 91 K HA 0.049 4.369 4.320 0.001 0.000 0.202 91 K C 0.046 176.210 176.600 -0.727 0.000 1.052 91 K CA 0.438 56.468 56.287 -0.427 0.000 0.965 91 K CB 0.360 32.574 32.500 -0.478 0.000 0.746 91 K HN 0.020 nan 8.250 nan 0.000 0.457 92 F N 0.941 120.970 119.950 0.131 0.000 2.686 92 F HA 0.243 4.770 4.527 0.001 0.000 0.365 92 F C -2.106 173.748 175.800 0.090 0.000 1.196 92 F CA -2.039 56.036 58.000 0.125 0.000 1.198 92 F CB 1.675 40.797 39.000 0.204 0.000 1.454 92 F HN -0.130 nan 8.300 nan 0.000 0.539 93 P HA 0.021 nan 4.420 nan 0.000 0.241 93 P C 0.498 177.813 177.300 0.025 0.000 1.191 93 P CA 0.879 64.020 63.100 0.068 0.000 0.771 93 P CB 0.450 32.158 31.700 0.014 0.000 0.929 94 N N -0.456 118.235 118.700 -0.015 0.000 2.205 94 N HA 0.196 4.937 4.740 0.001 0.000 0.201 94 N C 0.980 176.507 175.510 0.028 0.000 1.128 94 N CA 0.850 53.814 53.050 -0.144 0.000 0.867 94 N CB 0.846 38.893 38.487 -0.733 0.000 0.996 94 N HN 0.118 nan 8.380 nan 0.000 0.503 95 G N 0.943 109.832 108.800 0.148 0.000 2.757 95 G HA2 -0.231 3.730 3.960 0.001 0.000 0.638 95 G HA3 -0.231 3.730 3.960 0.001 0.000 0.638 95 G C 0.671 175.676 174.900 0.174 0.000 1.344 95 G CA -0.282 44.933 45.100 0.192 0.000 0.855 95 G HN -0.075 nan 8.290 nan 0.000 0.537 96 M N 0.676 120.350 119.600 0.123 0.000 2.248 96 M HA 0.100 4.581 4.480 0.001 0.000 0.265 96 M C 2.872 179.166 176.300 -0.010 0.000 1.079 96 M CA 2.311 57.631 55.300 0.033 0.000 1.150 96 M CB -1.757 30.875 32.600 0.052 0.000 1.366 96 M HN 1.125 nan 8.290 nan 0.000 0.433 97 G N -0.950 107.865 108.800 0.025 0.000 2.485 97 G HA2 -0.293 3.667 3.960 0.001 0.000 0.221 97 G HA3 -0.293 3.667 3.960 0.001 0.000 0.221 97 G C 1.466 176.385 174.900 0.033 0.000 1.115 97 G CA 1.533 46.650 45.100 0.028 0.000 0.751 97 G HN 0.571 nan 8.290 nan 0.000 0.567 98 H N -0.297 118.762 119.070 -0.019 0.000 2.389 98 H HA 0.006 4.563 4.556 0.001 0.000 0.299 98 H C 2.498 177.813 175.328 -0.022 0.000 1.081 98 H CA 1.522 57.573 56.048 0.004 0.000 1.345 98 H CB 0.120 29.912 29.762 0.050 0.000 1.393 98 H HN 0.148 nan 8.280 nan 0.000 0.520 99 V N 0.655 120.574 119.914 0.009 0.000 2.358 99 V HA -0.202 3.919 4.120 0.001 0.000 0.246 99 V C 2.742 178.563 176.094 -0.455 0.000 1.047 99 V CA 1.395 63.575 62.300 -0.200 0.000 1.035 99 V CB -1.188 30.436 31.823 -0.332 0.000 0.658 99 V HN 0.677 nan 8.190 nan 0.000 0.452 100 A N 0.407 122.874 122.820 -0.588 0.000 1.892 100 A HA -0.296 4.025 4.320 0.001 0.000 0.218 100 A C 1.996 179.548 177.584 -0.054 0.000 1.188 100 A CA 2.281 54.074 52.037 -0.408 0.000 0.631 100 A CB -0.746 18.273 19.000 0.031 0.000 0.822 100 A HN 0.547 nan 8.150 nan 0.000 0.447 101 D N -1.109 119.312 120.400 0.035 0.000 2.092 101 D HA -0.165 4.475 4.640 0.001 0.000 0.193 101 D C 1.831 178.116 176.300 -0.025 0.000 0.994 101 D CA 1.455 55.485 54.000 0.051 0.000 0.828 101 D CB -0.678 40.065 40.800 -0.095 0.000 0.963 101 D HN 0.549 nan 8.370 nan 0.000 0.450 102 H N 0.444 119.423 119.070 -0.152 0.000 2.353 102 H HA -0.070 4.487 4.556 0.001 0.000 0.298 102 H C 2.414 177.711 175.328 -0.050 0.000 1.103 102 H CA 0.891 56.869 56.048 -0.115 0.000 1.293 102 H CB -0.275 29.404 29.762 -0.138 0.000 1.372 102 H HN 0.160 nan 8.280 nan 0.000 0.501 103 L N -0.733 120.507 121.223 0.028 0.000 2.027 103 L HA -0.179 4.161 4.340 0.001 0.000 0.206 103 L C 2.532 179.433 176.870 0.052 0.000 1.074 103 L CA 1.237 56.096 54.840 0.032 0.000 0.745 103 L CB -0.545 41.432 42.059 -0.137 0.000 0.898 103 L HN 0.313 nan 8.230 nan 0.000 0.433 104 H N -0.525 118.594 119.070 0.082 0.000 2.352 104 H HA -0.145 4.412 4.556 0.001 0.000 0.299 104 H C 2.122 177.462 175.328 0.019 0.000 1.097 104 H CA 1.593 57.670 56.048 0.048 0.000 1.311 104 H CB -0.074 29.700 29.762 0.021 0.000 1.377 104 H HN 0.271 nan 8.280 nan 0.000 0.504 105 N N 0.359 119.131 118.700 0.119 0.000 2.205 105 N HA -0.144 4.596 4.740 0.001 0.000 0.186 105 N C 1.158 176.694 175.510 0.042 0.000 1.015 105 N CA 0.984 54.061 53.050 0.045 0.000 0.862 105 N CB -0.210 38.266 38.487 -0.019 0.000 0.986 105 N HN 0.290 nan 8.380 nan 0.000 0.429 106 N N 0.200 118.949 118.700 0.081 0.000 2.276 106 N HA 0.071 4.812 4.740 0.001 0.000 0.212 106 N C -0.639 174.796 175.510 -0.124 0.000 1.127 106 N CA -0.028 53.045 53.050 0.038 0.000 0.834 106 N CB -0.041 38.553 38.487 0.177 0.000 1.014 106 N HN -0.130 nan 8.380 nan 0.000 0.491 107 S N -0.938 114.718 115.700 -0.074 0.000 3.586 107 S HA -0.206 4.264 4.470 0.001 0.000 0.309 107 S C 0.042 174.498 174.600 -0.241 0.000 1.195 107 S CA 0.458 58.574 58.200 -0.139 0.000 0.895 107 S CB -2.094 60.998 63.200 -0.182 0.000 0.983 107 S HN 0.407 nan 8.310 nan 0.000 0.563 108 F N 0.275 120.192 119.950 -0.055 0.000 2.380 108 F HA 0.673 5.201 4.527 0.001 0.000 0.319 108 F C 0.817 176.524 175.800 -0.154 0.000 1.113 108 F CA -0.822 57.121 58.000 -0.096 0.000 1.056 108 F CB 0.638 39.592 39.000 -0.078 0.000 1.289 108 F HN 0.028 nan 8.300 nan 0.000 0.515 109 L N 1.303 122.559 121.223 0.056 0.000 2.342 109 L HA 0.399 4.739 4.340 0.001 0.000 0.271 109 L C -1.254 175.678 176.870 0.103 0.000 1.008 109 L CA -0.862 53.942 54.840 -0.059 0.000 0.818 109 L CB 1.887 43.722 42.059 -0.373 0.000 1.296 109 L HN 0.390 nan 8.230 nan 0.000 0.427 110 F N 1.074 121.007 119.950 -0.028 0.000 2.427 110 F HA 0.749 5.276 4.527 0.001 0.000 0.346 110 F C 0.222 176.105 175.800 0.139 0.000 1.120 110 F CA -1.005 57.000 58.000 0.008 0.000 1.033 110 F CB 1.568 40.525 39.000 -0.072 0.000 1.126 110 F HN 0.299 nan 8.300 nan 0.000 0.462 111 G N 6.995 115.568 108.800 -0.378 0.000 2.513 111 G HA2 0.612 4.572 3.960 0.001 0.000 0.317 111 G HA3 0.612 4.572 3.960 0.001 0.000 0.317 111 G C -1.282 173.259 174.900 -0.598 0.000 1.277 111 G CA -0.794 44.123 45.100 -0.306 0.000 0.955 111 G HN 0.634 nan 8.290 nan 0.000 0.484 112 M N 0.632 119.937 119.600 -0.493 0.000 2.796 112 M HA 0.479 4.960 4.480 0.001 0.000 0.303 112 M C -1.428 174.761 176.300 -0.185 0.000 1.240 112 M CA -1.004 54.012 55.300 -0.474 0.000 0.831 112 M CB 2.905 35.120 32.600 -0.641 0.000 1.750 112 M HN 0.599 nan 8.290 nan 0.000 0.484 113 Y N -0.307 119.905 120.300 -0.148 0.000 2.446 113 Y HA 0.683 5.234 4.550 0.001 0.000 0.345 113 Y C -0.720 175.402 175.900 0.370 0.000 0.984 113 Y CA -0.182 57.985 58.100 0.113 0.000 1.058 113 Y CB 1.893 40.458 38.460 0.174 0.000 1.220 113 Y HN 0.703 nan 8.280 nan 0.000 0.455 114 S N 2.394 117.874 115.700 -0.367 0.000 2.672 114 S HA 0.668 5.138 4.470 0.001 0.000 0.271 114 S C -1.851 172.483 174.600 -0.444 0.000 1.171 114 S CA -0.617 57.524 58.200 -0.097 0.000 0.817 114 S CB 1.366 64.834 63.200 0.446 0.000 1.150 114 S HN 0.762 nan 8.310 nan 0.000 0.478 115 S N 0.471 116.046 115.700 -0.208 0.000 2.538 115 S HA 0.679 5.149 4.470 0.001 0.000 0.288 115 S C -0.367 173.907 174.600 -0.543 0.000 1.108 115 S CA -0.036 57.922 58.200 -0.403 0.000 0.971 115 S CB 1.358 64.482 63.200 -0.126 0.000 1.041 115 S HN 1.259 nan 8.310 nan 0.000 0.483 116 A N 3.472 125.686 122.820 -1.011 0.000 3.004 116 A HA 0.586 4.906 4.320 0.001 0.000 0.252 116 A C 0.808 178.168 177.584 -0.373 0.000 1.802 116 A CA 0.377 51.930 52.037 -0.806 0.000 1.424 116 A CB -1.401 16.881 19.000 -1.195 0.000 1.005 116 A HN 1.175 nan 8.150 nan 0.000 0.631 117 G N -1.287 107.393 108.800 -0.202 0.000 2.606 117 G HA2 0.384 4.345 3.960 0.001 0.000 0.300 117 G HA3 0.384 4.345 3.960 0.001 0.000 0.300 117 G C 0.288 175.139 174.900 -0.082 0.000 1.360 117 G CA 0.144 45.194 45.100 -0.083 0.000 0.783 117 G HN 0.201 nan 8.290 nan 0.000 0.484 118 E N -1.492 118.639 120.200 -0.115 0.000 2.051 118 E HA 0.007 4.357 4.350 0.001 0.000 0.192 118 E C -0.246 176.002 176.600 -0.585 0.000 0.991 118 E CA 1.127 57.282 56.400 -0.409 0.000 0.799 118 E CB -0.004 29.361 29.700 -0.559 0.000 0.748 118 E HN 0.449 nan 8.360 nan 0.000 0.449 119 Y N -0.789 119.530 120.300 0.031 0.000 2.633 119 Y HA 0.253 4.804 4.550 0.001 0.000 0.339 119 Y C 0.469 176.494 175.900 0.209 0.000 1.045 119 Y CA -1.081 57.032 58.100 0.022 0.000 1.098 119 Y CB 1.490 39.812 38.460 -0.231 0.000 1.296 119 Y HN -0.162 nan 8.280 nan 0.000 0.494 120 T N -3.238 111.568 114.554 0.419 0.000 2.816 120 T HA 0.098 4.449 4.350 0.001 0.000 0.282 120 T C 0.881 175.888 174.700 0.512 0.000 0.993 120 T CA -0.673 61.694 62.100 0.445 0.000 0.994 120 T CB 0.695 69.889 68.868 0.544 0.000 1.025 120 T HN 0.848 nan 8.240 nan 0.000 0.529 121 c N 0.706 119.568 118.600 0.436 0.000 2.409 121 c HA 0.158 4.729 4.570 0.001 0.000 0.284 121 c C 2.872 177.165 174.090 0.339 0.000 1.354 121 c CA 0.647 57.183 56.329 0.344 0.000 1.787 121 c CB -2.075 40.550 42.510 0.191 0.000 1.900 121 c HN 0.982 nan 8.230 nan 0.000 0.520 122 A N -0.747 122.285 122.820 0.354 0.000 2.308 122 A HA 0.488 4.808 4.320 0.001 0.000 0.217 122 A C 1.656 179.429 177.584 0.315 0.000 1.216 122 A CA 1.035 53.308 52.037 0.394 0.000 0.864 122 A CB -0.390 18.902 19.000 0.487 0.000 0.902 122 A HN 1.151 nan 8.150 nan 0.000 0.499 123 G N -2.048 106.898 108.800 0.243 0.000 2.134 123 G HA2 -0.228 3.733 3.960 0.001 0.000 0.209 123 G HA3 -0.228 3.733 3.960 0.001 0.000 0.209 123 G C -0.139 174.649 174.900 -0.188 0.000 0.993 123 G CA 0.092 45.122 45.100 -0.116 0.000 0.669 123 G HN 0.362 nan 8.290 nan 0.000 0.519 124 Y N 0.112 120.458 120.300 0.077 0.000 2.392 124 Y HA 0.565 5.115 4.550 0.001 0.000 0.323 124 Y C -1.754 174.212 175.900 0.111 0.000 1.291 124 Y CA -2.553 55.572 58.100 0.042 0.000 1.345 124 Y CB 0.478 38.910 38.460 -0.046 0.000 1.320 124 Y HN -0.077 nan 8.280 nan 0.000 0.518 125 P HA 0.017 nan 4.420 nan 0.000 0.261 125 P C -0.145 177.200 177.300 0.076 0.000 1.173 125 P CA 0.413 63.558 63.100 0.075 0.000 0.760 125 P CB 0.356 32.036 31.700 -0.033 0.000 0.783 126 G N 0.947 109.755 108.800 0.013 0.000 2.537 126 G HA2 0.376 4.336 3.960 0.001 0.000 0.323 126 G HA3 0.376 4.336 3.960 0.001 0.000 0.323 126 G C 0.349 175.252 174.900 0.005 0.000 1.207 126 G CA -0.491 44.626 45.100 0.029 0.000 0.976 126 G HN 0.316 nan 8.290 nan 0.000 0.487 127 S N -0.574 115.166 115.700 0.067 0.000 2.540 127 S HA 0.078 4.548 4.470 0.001 0.000 0.218 127 S C 0.585 175.215 174.600 0.049 0.000 0.977 127 S CA -0.410 57.853 58.200 0.105 0.000 0.918 127 S CB -0.046 63.341 63.200 0.311 0.000 0.806 127 S HN 0.372 nan 8.310 nan 0.000 0.496 128 L N 2.758 123.970 121.223 -0.018 0.000 2.534 128 L HA 0.449 4.789 4.340 0.001 0.000 0.271 128 L C 1.184 178.018 176.870 -0.060 0.000 1.178 128 L CA 1.104 55.914 54.840 -0.050 0.000 0.907 128 L CB -0.519 41.486 42.059 -0.090 0.000 1.164 128 L HN 0.366 nan 8.230 nan 0.000 0.482 129 G N 4.349 113.119 108.800 -0.051 0.000 2.212 129 G HA2 -0.331 3.629 3.960 0.001 0.000 0.266 129 G HA3 -0.331 3.629 3.960 0.001 0.000 0.266 129 G C 0.818 175.680 174.900 -0.063 0.000 0.978 129 G CA 0.587 45.652 45.100 -0.058 0.000 0.632 129 G HN 0.634 nan 8.290 nan 0.000 0.537 130 R N -0.233 120.229 120.500 -0.063 0.000 2.776 130 R HA 0.405 4.745 4.340 0.001 0.000 0.391 130 R C 1.034 177.281 176.300 -0.087 0.000 1.116 130 R CA -0.082 55.964 56.100 -0.090 0.000 1.056 130 R CB 0.409 30.644 30.300 -0.108 0.000 1.369 130 R HN 0.300 nan 8.270 nan 0.000 0.590 131 E N 1.498 121.661 120.200 -0.062 0.000 2.046 131 E HA -0.147 4.203 4.350 0.001 0.000 0.190 131 E C 1.227 177.779 176.600 -0.081 0.000 0.982 131 E CA 1.270 57.639 56.400 -0.053 0.000 0.800 131 E CB 0.224 29.893 29.700 -0.051 0.000 0.756 131 E HN 0.339 nan 8.360 nan 0.000 0.449 132 E N 0.546 120.693 120.200 -0.089 0.000 2.038 132 E HA -0.233 4.118 4.350 0.001 0.000 0.195 132 E C 2.007 178.521 176.600 -0.143 0.000 1.000 132 E CA 1.430 57.780 56.400 -0.084 0.000 0.803 132 E CB -0.110 29.553 29.700 -0.061 0.000 0.750 132 E HN 0.233 nan 8.360 nan 0.000 0.448 133 E N 1.070 121.105 120.200 -0.275 0.000 2.049 133 E HA -0.213 4.137 4.350 0.001 0.000 0.198 133 E C 1.772 178.041 176.600 -0.551 0.000 1.007 133 E CA 1.700 57.708 56.400 -0.653 0.000 0.809 133 E CB -0.153 29.082 29.700 -0.776 0.000 0.749 133 E HN 0.220 nan 8.360 nan 0.000 0.450 134 D N 0.123 120.330 120.400 -0.323 0.000 2.097 134 D HA -0.086 4.554 4.640 0.001 0.000 0.197 134 D C 1.882 178.101 176.300 -0.135 0.000 0.984 134 D CA 1.530 55.375 54.000 -0.259 0.000 0.826 134 D CB -0.507 40.236 40.800 -0.094 0.000 0.973 134 D HN 0.221 nan 8.370 nan 0.000 0.460 135 A N 0.588 123.431 122.820 0.039 0.000 1.883 135 A HA -0.282 4.039 4.320 0.001 0.000 0.217 135 A C 2.167 179.841 177.584 0.150 0.000 1.186 135 A CA 2.030 54.166 52.037 0.165 0.000 0.624 135 A CB -0.755 18.265 19.000 0.032 0.000 0.822 135 A HN 0.155 nan 8.150 nan 0.000 0.444 136 Q N -1.116 118.738 119.800 0.090 0.000 2.084 136 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 136 Q C 1.722 177.864 176.000 0.238 0.000 0.978 136 Q CA 2.059 57.964 55.803 0.170 0.000 0.844 136 Q CB -0.625 28.253 28.738 0.233 0.000 0.898 136 Q HN 0.650 nan 8.270 nan 0.000 0.426 137 F N -0.345 119.655 119.950 0.083 0.000 2.120 137 F HA -0.229 4.298 4.527 0.001 0.000 0.300 137 F C 1.301 177.089 175.800 -0.019 0.000 1.095 137 F CA 1.461 59.496 58.000 0.059 0.000 1.249 137 F CB -0.302 38.633 39.000 -0.107 0.000 0.995 137 F HN 0.125 nan 8.300 nan 0.000 0.480 138 F N 0.578 120.617 119.950 0.148 0.000 2.186 138 F HA -0.011 4.517 4.527 0.001 0.000 0.299 138 F C 2.595 178.373 175.800 -0.036 0.000 1.090 138 F CA 0.971 58.968 58.000 -0.005 0.000 1.307 138 F CB -1.623 37.422 39.000 0.076 0.000 1.019 138 F HN 0.080 nan 8.300 nan 0.000 0.489 139 A N 0.373 123.300 122.820 0.178 0.000 1.873 139 A HA -0.172 4.149 4.320 0.001 0.000 0.215 139 A C 2.153 179.769 177.584 0.055 0.000 1.186 139 A CA 1.743 53.848 52.037 0.114 0.000 0.616 139 A CB -0.823 18.237 19.000 0.100 0.000 0.823 139 A HN 0.306 nan 8.150 nan 0.000 0.442 140 N N 0.861 119.571 118.700 0.015 0.000 2.149 140 N HA -0.140 4.600 4.740 0.001 0.000 0.188 140 N C 0.520 175.987 175.510 -0.072 0.000 1.019 140 N CA 1.600 54.633 53.050 -0.028 0.000 0.857 140 N CB -0.622 37.847 38.487 -0.030 0.000 0.997 140 N HN 0.564 nan 8.380 nan 0.000 0.426 141 N N 0.641 119.249 118.700 -0.153 0.000 2.322 141 N HA 0.157 4.897 4.740 0.001 0.000 0.216 141 N C -0.642 174.925 175.510 0.095 0.000 1.144 141 N CA -0.072 52.922 53.050 -0.094 0.000 0.830 141 N CB 0.158 38.486 38.487 -0.264 0.000 1.034 141 N HN 0.086 nan 8.380 nan 0.000 0.484 142 R N -0.808 119.757 120.500 0.109 0.000 3.264 142 R HA -0.137 4.203 4.340 0.001 0.000 0.251 142 R C -0.984 175.528 176.300 0.355 0.000 0.971 142 R CA 0.114 56.327 56.100 0.188 0.000 0.658 142 R CB -2.280 28.106 30.300 0.143 0.000 1.095 142 R HN 0.018 nan 8.270 nan 0.000 0.443 143 V N 0.757 120.843 119.914 0.287 0.000 2.567 143 V HA 0.101 4.222 4.120 0.001 0.000 0.289 143 V C 1.151 177.384 176.094 0.232 0.000 1.049 143 V CA -0.043 62.409 62.300 0.252 0.000 0.969 143 V CB 1.725 33.602 31.823 0.090 0.000 0.995 143 V HN 0.293 nan 8.190 nan 0.000 0.471 144 D N 1.938 122.499 120.400 0.267 0.000 2.417 144 D HA 0.119 4.760 4.640 0.001 0.000 0.207 144 D C -0.483 176.078 176.300 0.434 0.000 1.075 144 D CA 0.661 54.872 54.000 0.353 0.000 0.851 144 D CB 1.018 42.065 40.800 0.412 0.000 0.976 144 D HN 0.511 nan 8.370 nan 0.000 0.505 145 Y N 0.902 121.282 120.300 0.133 0.000 2.442 145 Y HA 0.406 4.956 4.550 0.001 0.000 0.330 145 Y C -2.151 173.703 175.900 -0.077 0.000 1.100 145 Y CA -1.221 56.935 58.100 0.094 0.000 1.034 145 Y CB 1.413 39.901 38.460 0.047 0.000 1.285 145 Y HN -0.233 nan 8.280 nan 0.000 0.440 146 L N 6.829 127.930 121.223 -0.203 0.000 2.343 146 L HA 0.544 4.884 4.340 0.001 0.000 0.278 146 L C -1.082 175.694 176.870 -0.157 0.000 0.996 146 L CA -0.619 54.100 54.840 -0.202 0.000 0.831 146 L CB 1.316 43.226 42.059 -0.249 0.000 1.232 146 L HN 0.645 nan 8.230 nan 0.000 0.413 147 K N 4.261 124.665 120.400 0.008 0.000 2.276 147 K HA 0.218 4.539 4.320 0.001 0.000 0.285 147 K C -1.776 174.870 176.600 0.076 0.000 1.062 147 K CA -0.390 55.953 56.287 0.093 0.000 0.918 147 K CB 0.516 33.179 32.500 0.271 0.000 1.055 147 K HN 0.620 nan 8.250 nan 0.000 0.477 148 Y N 3.844 124.087 120.300 -0.094 0.000 2.447 148 Y HA 0.382 4.933 4.550 0.001 0.000 0.325 148 Y C -0.280 175.593 175.900 -0.046 0.000 0.976 148 Y CA -0.954 57.109 58.100 -0.062 0.000 1.280 148 Y CB 0.735 39.301 38.460 0.176 0.000 1.104 148 Y HN 0.752 nan 8.280 nan 0.000 0.486 149 A N 3.392 126.009 122.820 -0.339 0.000 2.260 149 A HA 0.300 4.620 4.320 0.001 0.000 0.278 149 A C 0.447 177.811 177.584 -0.367 0.000 1.269 149 A CA -0.059 51.805 52.037 -0.289 0.000 0.824 149 A CB 0.338 19.267 19.000 -0.119 0.000 1.238 149 A HN 0.732 nan 8.150 nan 0.000 0.507 150 N N -2.291 116.150 118.700 -0.432 0.000 2.241 150 N HA 0.146 4.887 4.740 0.001 0.000 0.238 150 N C -1.100 174.259 175.510 -0.252 0.000 1.244 150 N CA -0.210 52.541 53.050 -0.499 0.000 0.880 150 N CB 0.071 37.902 38.487 -1.093 0.000 1.179 150 N HN 0.521 nan 8.380 nan 0.000 0.513 151 c N 0.872 119.438 118.600 -0.057 0.000 2.601 151 c HA 0.267 4.837 4.570 0.001 0.000 0.409 151 c C 0.099 174.200 174.090 0.018 0.000 1.293 151 c CA -0.001 56.312 56.329 -0.027 0.000 2.101 151 c CB -1.563 40.985 42.510 0.064 0.000 2.639 151 c HN 0.656 nan 8.230 nan 0.000 0.592 152 Y N 1.341 121.686 120.300 0.075 0.000 3.078 152 Y HA -0.239 4.312 4.550 0.001 0.000 0.202 152 Y C 1.090 176.993 175.900 0.003 0.000 1.322 152 Y CA 0.679 58.821 58.100 0.071 0.000 1.118 152 Y CB -1.889 36.666 38.460 0.158 0.000 1.343 152 Y HN 0.913 nan 8.280 nan 0.000 0.499 153 N N 0.456 119.192 118.700 0.061 0.000 2.370 153 N HA 0.039 4.779 4.740 0.001 0.000 0.198 153 N C 0.145 175.701 175.510 0.076 0.000 1.156 153 N CA 0.481 53.545 53.050 0.022 0.000 0.839 153 N CB 0.066 38.540 38.487 -0.023 0.000 0.989 153 N HN 0.486 nan 8.380 nan 0.000 0.468 154 K N -0.738 119.727 120.400 0.108 0.000 3.035 154 K HA -0.184 4.136 4.320 0.001 0.000 0.262 154 K C 0.751 177.416 176.600 0.108 0.000 1.024 154 K CA 0.383 56.726 56.287 0.093 0.000 0.748 154 K CB -2.023 30.497 32.500 0.033 0.000 1.247 154 K HN 0.560 nan 8.250 nan 0.000 0.482 155 G N 0.332 109.259 108.800 0.212 0.000 2.155 155 G HA2 -0.364 3.596 3.960 0.001 0.000 0.257 155 G HA3 -0.364 3.596 3.960 0.001 0.000 0.257 155 G C 0.069 175.021 174.900 0.087 0.000 0.983 155 G CA 0.630 45.840 45.100 0.184 0.000 0.676 155 G HN 0.542 nan 8.290 nan 0.000 0.528 156 Q N -0.377 119.535 119.800 0.187 0.000 3.122 156 Q HA 0.522 4.862 4.340 0.001 0.000 0.360 156 Q C 0.186 176.309 176.000 0.205 0.000 1.300 156 Q CA -0.010 55.851 55.803 0.096 0.000 0.982 156 Q CB -0.218 28.539 28.738 0.031 0.000 1.534 156 Q HN 0.819 nan 8.270 nan 0.000 0.474 157 F N -4.149 115.797 119.950 -0.008 0.000 2.789 157 F HA 0.785 5.312 4.527 0.001 0.000 0.319 157 F C 0.635 176.442 175.800 0.012 0.000 1.168 157 F CA -0.344 57.665 58.000 0.015 0.000 0.934 157 F CB 0.597 39.625 39.000 0.046 0.000 1.375 157 F HN 0.018 nan 8.300 nan 0.000 0.480 158 G N 0.185 108.960 108.800 -0.041 0.000 2.380 158 G HA2 0.161 4.121 3.960 0.001 0.000 0.197 158 G HA3 0.161 4.121 3.960 0.001 0.000 0.197 158 G C -0.065 174.811 174.900 -0.040 0.000 1.001 158 G CA 0.097 45.100 45.100 -0.161 0.000 0.668 158 G HN 1.579 nan 8.290 nan 0.000 0.483 159 T N -2.283 112.252 114.554 -0.032 0.000 2.906 159 T HA 0.714 5.064 4.350 0.001 0.000 0.295 159 T C -1.899 172.774 174.700 -0.044 0.000 1.075 159 T CA -0.948 61.136 62.100 -0.028 0.000 1.005 159 T CB 3.120 71.952 68.868 -0.060 0.000 1.136 159 T HN -0.122 nan 8.240 nan 0.000 0.498 160 P HA -0.101 nan 4.420 nan 0.000 0.215 160 P C 1.435 178.468 177.300 -0.446 0.000 1.153 160 P CA 1.036 64.008 63.100 -0.213 0.000 0.853 160 P CB 0.191 31.808 31.700 -0.138 0.000 0.788 161 E N -0.442 119.592 120.200 -0.277 0.000 2.038 161 E HA -0.203 4.147 4.350 0.001 0.000 0.195 161 E C 1.997 178.523 176.600 -0.123 0.000 1.000 161 E CA 1.047 57.312 56.400 -0.225 0.000 0.803 161 E CB -0.571 29.075 29.700 -0.090 0.000 0.750 161 E HN 0.129 nan 8.360 nan 0.000 0.448 162 I N 0.323 120.849 120.570 -0.072 0.000 2.286 162 I HA -0.239 3.932 4.170 0.001 0.000 0.248 162 I C 2.172 178.255 176.117 -0.057 0.000 1.115 162 I CA 1.123 62.413 61.300 -0.017 0.000 1.392 162 I CB 0.001 37.983 38.000 -0.031 0.000 1.065 162 I HN 0.061 nan 8.210 nan 0.000 0.418 163 S N -0.073 115.550 115.700 -0.128 0.000 2.383 163 S HA -0.220 4.250 4.470 0.001 0.000 0.227 163 S C 1.781 176.164 174.600 -0.362 0.000 1.026 163 S CA 1.338 59.474 58.200 -0.107 0.000 0.981 163 S CB -0.479 62.730 63.200 0.016 0.000 0.818 163 S HN 0.651 nan 8.310 nan 0.000 0.472 164 Y N 2.266 121.967 120.300 -0.997 0.000 2.128 164 Y HA -0.235 4.315 4.550 0.001 0.000 0.284 164 Y C 2.409 178.047 175.900 -0.436 0.000 1.154 164 Y CA 1.963 59.416 58.100 -1.077 0.000 1.149 164 Y CB -0.564 37.208 38.460 -1.146 0.000 0.976 164 Y HN 0.344 nan 8.280 nan 0.000 0.505 165 H N 0.015 118.905 119.070 -0.301 0.000 2.389 165 H HA -0.105 4.452 4.556 0.001 0.000 0.299 165 H C 2.413 177.613 175.328 -0.214 0.000 1.081 165 H CA 1.745 57.629 56.048 -0.273 0.000 1.345 165 H CB -0.318 29.375 29.762 -0.115 0.000 1.393 165 H HN 0.364 nan 8.280 nan 0.000 0.520 166 R N 0.131 120.591 120.500 -0.067 0.000 2.091 166 R HA -0.166 4.175 4.340 0.001 0.000 0.238 166 R C 1.653 177.842 176.300 -0.184 0.000 1.136 166 R CA 1.451 57.462 56.100 -0.149 0.000 0.959 166 R CB -0.162 30.003 30.300 -0.226 0.000 0.856 166 R HN 0.265 nan 8.270 nan 0.000 0.437 167 Y N -0.167 120.136 120.300 0.005 0.000 2.475 167 Y HA 0.037 4.588 4.550 0.001 0.000 0.289 167 Y C 2.230 178.195 175.900 0.108 0.000 1.121 167 Y CA 0.875 59.077 58.100 0.170 0.000 1.257 167 Y CB 0.150 38.744 38.460 0.223 0.000 1.026 167 Y HN 0.025 nan 8.280 nan 0.000 0.555 168 K N 0.595 120.965 120.400 -0.050 0.000 2.148 168 K HA -0.141 4.179 4.320 0.001 0.000 0.204 168 K C 2.264 178.822 176.600 -0.070 0.000 1.050 168 K CA 0.900 57.089 56.287 -0.164 0.000 0.942 168 K CB -0.189 32.021 32.500 -0.483 0.000 0.724 168 K HN 0.246 nan 8.250 nan 0.000 0.446 169 A N 1.346 124.137 122.820 -0.049 0.000 1.869 169 A HA -0.266 4.054 4.320 0.001 0.000 0.218 169 A C 2.100 179.639 177.584 -0.076 0.000 1.203 169 A CA 2.191 54.201 52.037 -0.046 0.000 0.638 169 A CB -0.623 18.356 19.000 -0.034 0.000 0.831 169 A HN 0.470 nan 8.150 nan 0.000 0.450 170 M N -0.381 119.169 119.600 -0.084 0.000 2.254 170 M HA -0.009 4.472 4.480 0.001 0.000 0.265 170 M C 2.198 178.223 176.300 -0.458 0.000 1.066 170 M CA 1.939 57.070 55.300 -0.283 0.000 1.123 170 M CB -0.657 31.620 32.600 -0.538 0.000 1.388 170 M HN 0.392 nan 8.290 nan 0.000 0.425 171 S N 0.128 115.601 115.700 -0.378 0.000 2.359 171 S HA -0.177 4.293 4.470 0.001 0.000 0.224 171 S C 1.575 176.075 174.600 -0.167 0.000 1.035 171 S CA 1.976 59.951 58.200 -0.375 0.000 1.018 171 S CB -0.481 62.713 63.200 -0.011 0.000 0.876 171 S HN 0.576 nan 8.310 nan 0.000 0.448 172 D N 1.248 121.589 120.400 -0.098 0.000 2.117 172 D HA 0.040 4.680 4.640 0.001 0.000 0.198 172 D C 2.227 178.484 176.300 -0.071 0.000 0.982 172 D CA 1.283 55.253 54.000 -0.051 0.000 0.828 172 D CB -0.701 40.078 40.800 -0.035 0.000 0.967 172 D HN 0.475 nan 8.370 nan 0.000 0.464 173 A N 0.536 123.292 122.820 -0.106 0.000 1.902 173 A HA -0.123 4.198 4.320 0.001 0.000 0.217 173 A C 2.353 179.888 177.584 -0.082 0.000 1.181 173 A CA 0.938 52.922 52.037 -0.089 0.000 0.623 173 A CB -0.753 18.185 19.000 -0.104 0.000 0.818 173 A HN 0.208 nan 8.150 nan 0.000 0.443 174 L N -0.257 120.882 121.223 -0.141 0.000 2.056 174 L HA -0.191 4.150 4.340 0.001 0.000 0.207 174 L C 2.612 179.447 176.870 -0.058 0.000 1.078 174 L CA 1.490 56.265 54.840 -0.109 0.000 0.749 174 L CB -0.612 41.320 42.059 -0.212 0.000 0.901 174 L HN 0.571 nan 8.230 nan 0.000 0.433 175 N N 0.656 119.321 118.700 -0.058 0.000 2.166 175 N HA -0.252 4.489 4.740 0.001 0.000 0.186 175 N C 1.916 177.416 175.510 -0.016 0.000 1.019 175 N CA 1.312 54.344 53.050 -0.030 0.000 0.856 175 N CB 0.074 38.555 38.487 -0.010 0.000 0.993 175 N HN 0.288 nan 8.380 nan 0.000 0.426 176 K N 0.209 120.600 120.400 -0.015 0.000 2.152 176 K HA -0.115 4.206 4.320 0.001 0.000 0.206 176 K C 1.815 178.419 176.600 0.008 0.000 1.048 176 K CA 1.706 57.991 56.287 -0.003 0.000 0.933 176 K CB -0.213 32.283 32.500 -0.005 0.000 0.721 176 K HN 0.361 nan 8.250 nan 0.000 0.447 177 T N -2.969 111.592 114.554 0.012 0.000 3.051 177 T HA 0.019 4.370 4.350 0.001 0.000 0.269 177 T C 1.407 176.122 174.700 0.025 0.000 1.127 177 T CA 1.102 63.219 62.100 0.030 0.000 1.107 177 T CB -0.235 68.661 68.868 0.047 0.000 0.898 177 T HN 0.426 nan 8.240 nan 0.000 0.517 178 G N 1.447 110.255 108.800 0.012 0.000 2.220 178 G HA2 -0.349 3.611 3.960 0.001 0.000 0.269 178 G HA3 -0.349 3.611 3.960 0.001 0.000 0.269 178 G C 0.186 175.095 174.900 0.014 0.000 0.977 178 G CA 0.367 45.472 45.100 0.009 0.000 0.634 178 G HN 0.889 nan 8.290 nan 0.000 0.539 179 R N 1.234 121.748 120.500 0.024 0.000 2.297 179 R HA 0.513 4.853 4.340 0.001 0.000 0.308 179 R C -2.379 173.945 176.300 0.039 0.000 1.029 179 R CA -1.782 54.341 56.100 0.039 0.000 0.929 179 R CB 0.750 31.085 30.300 0.059 0.000 1.046 179 R HN 0.031 nan 8.270 nan 0.000 0.461 180 P HA 0.020 nan 4.420 nan 0.000 0.266 180 P C -1.332 176.033 177.300 0.108 0.000 1.215 180 P CA -0.059 63.075 63.100 0.057 0.000 0.763 180 P CB 0.843 32.586 31.700 0.072 0.000 0.806 181 V N 5.156 125.124 119.914 0.090 0.000 2.525 181 V HA 0.265 4.385 4.120 0.001 0.000 0.299 181 V C -0.346 175.848 176.094 0.166 0.000 1.034 181 V CA -0.742 61.641 62.300 0.138 0.000 0.863 181 V CB 1.511 33.370 31.823 0.061 0.000 0.999 181 V HN 0.354 nan 8.190 nan 0.000 0.423 182 F N 5.839 125.849 119.950 0.100 0.000 2.494 182 F HA 0.334 4.861 4.527 0.001 0.000 0.369 182 F C -0.353 175.358 175.800 -0.148 0.000 1.098 182 F CA -0.209 57.803 58.000 0.021 0.000 1.154 182 F CB 0.175 39.200 39.000 0.042 0.000 1.103 182 F HN 0.560 nan 8.300 nan 0.000 0.549 183 Y N 5.869 126.083 120.300 -0.142 0.000 2.404 183 Y HA 0.336 4.887 4.550 0.001 0.000 0.344 183 Y C -0.431 175.406 175.900 -0.105 0.000 0.970 183 Y CA -1.130 56.902 58.100 -0.114 0.000 1.180 183 Y CB 0.776 39.233 38.460 -0.004 0.000 1.138 183 Y HN 0.472 nan 8.280 nan 0.000 0.510 184 S N 7.601 123.161 115.700 -0.233 0.000 2.461 184 S HA 0.499 4.970 4.470 0.001 0.000 0.322 184 S C -1.111 173.329 174.600 -0.267 0.000 1.063 184 S CA -0.690 57.374 58.200 -0.226 0.000 1.120 184 S CB -0.219 62.835 63.200 -0.244 0.000 0.968 184 S HN 0.536 nan 8.310 nan 0.000 0.467 185 L N 4.175 125.200 121.223 -0.330 0.000 2.380 185 L HA 0.379 4.720 4.340 0.001 0.000 0.273 185 L C 0.432 177.165 176.870 -0.228 0.000 1.138 185 L CA 0.078 54.709 54.840 -0.349 0.000 0.832 185 L CB 0.962 42.753 42.059 -0.447 0.000 1.124 185 L HN 0.873 nan 8.230 nan 0.000 0.454 186 C N 4.533 123.669 119.300 -0.273 0.000 3.401 186 C HA 0.327 4.787 4.460 0.001 0.000 0.204 186 C C 0.987 175.590 174.990 -0.644 0.000 1.522 186 C CA -0.596 58.257 59.018 -0.274 0.000 1.409 186 C CB -1.367 26.312 27.740 -0.102 0.000 1.967 186 C HN 0.900 nan 8.230 nan 0.000 0.496 187 N N -0.003 118.301 118.700 -0.660 0.000 2.203 187 N HA 0.028 4.768 4.740 0.001 0.000 0.207 187 N C 0.577 175.776 175.510 -0.518 0.000 1.130 187 N CA -0.096 52.472 53.050 -0.803 0.000 0.861 187 N CB -0.095 38.095 38.487 -0.494 0.000 1.005 187 N HN 0.758 nan 8.380 nan 0.000 0.507 188 W N 0.018 121.319 121.300 0.002 0.000 4.141 188 W HA -0.187 4.473 4.660 0.001 0.000 0.336 188 W C 1.034 177.587 176.519 0.056 0.000 1.258 188 W CA 0.394 57.762 57.345 0.037 0.000 0.747 188 W CB -2.441 27.046 29.460 0.045 0.000 2.338 188 W HN 0.488 nan 8.180 nan 0.000 1.410 189 G N -0.130 108.761 108.800 0.152 0.000 2.162 189 G HA2 -0.364 3.596 3.960 0.001 0.000 0.260 189 G HA3 -0.364 3.596 3.960 0.001 0.000 0.260 189 G C 0.351 175.338 174.900 0.144 0.000 0.976 189 G CA 0.604 45.784 45.100 0.132 0.000 0.655 189 G HN 0.499 nan 8.290 nan 0.000 0.533 190 Q N 0.662 120.567 119.800 0.174 0.000 2.286 190 Q HA 0.338 4.679 4.340 0.001 0.000 0.290 190 Q C 0.442 176.606 176.000 0.273 0.000 1.049 190 Q CA 0.649 56.590 55.803 0.230 0.000 0.923 190 Q CB 0.138 29.014 28.738 0.229 0.000 1.183 190 Q HN 0.381 nan 8.270 nan 0.000 0.383 191 D N 3.343 123.905 120.400 0.270 0.000 2.800 191 D HA -0.221 4.419 4.640 0.001 0.000 0.232 191 D C -0.344 176.151 176.300 0.326 0.000 1.137 191 D CA 1.098 55.269 54.000 0.285 0.000 0.718 191 D CB -1.339 39.633 40.800 0.286 0.000 1.084 191 D HN 0.795 nan 8.370 nan 0.000 0.432 192 L N -1.530 119.767 121.223 0.123 0.000 3.632 192 L HA -0.253 4.087 4.340 0.001 0.000 0.510 192 L C 1.734 178.172 176.870 -0.719 0.000 1.299 192 L CA 0.748 55.428 54.840 -0.266 0.000 0.829 192 L CB -2.273 39.675 42.059 -0.186 0.000 1.559 192 L HN 0.112 nan 8.230 nan 0.000 0.857 193 T N -0.652 113.460 114.554 -0.736 0.000 2.788 193 T HA -0.195 4.155 4.350 0.001 0.000 0.268 193 T C 1.491 175.161 174.700 -1.716 0.000 1.044 193 T CA 1.949 63.093 62.100 -1.593 0.000 1.139 193 T CB -0.295 67.906 68.868 -1.112 0.000 0.867 193 T HN 0.680 nan 8.240 nan 0.000 0.454 194 F N 0.061 119.458 119.950 -0.922 0.000 2.236 194 F HA -0.084 4.443 4.527 0.001 0.000 0.302 194 F C 2.011 177.404 175.800 -0.678 0.000 1.073 194 F CA 0.489 58.044 58.000 -0.741 0.000 1.336 194 F CB -1.293 37.529 39.000 -0.296 0.000 1.040 194 F HN 0.176 nan 8.300 nan 0.000 0.507 195 Y N 0.153 119.841 120.300 -1.020 0.000 2.243 195 Y HA -0.134 4.416 4.550 0.001 0.000 0.293 195 Y C 2.024 177.669 175.900 -0.426 0.000 1.124 195 Y CA 0.885 58.658 58.100 -0.546 0.000 1.159 195 Y CB -0.276 37.905 38.460 -0.465 0.000 1.008 195 Y HN 0.327 nan 8.280 nan 0.000 0.527 196 W N -2.222 118.844 121.300 -0.390 0.000 2.870 196 W HA 0.447 5.107 4.660 0.001 0.000 0.358 196 W C 1.298 177.589 176.519 -0.380 0.000 1.043 196 W CA 0.598 57.743 57.345 -0.335 0.000 1.692 196 W CB -0.868 28.428 29.460 -0.273 0.000 1.100 196 W HN -0.030 nan 8.180 nan 0.000 0.557 197 G N 2.467 110.651 108.800 -1.027 0.000 2.402 197 G HA2 -0.327 3.633 3.960 0.001 0.000 0.216 197 G HA3 -0.327 3.633 3.960 0.001 0.000 0.216 197 G C 1.736 176.321 174.900 -0.525 0.000 1.162 197 G CA 2.316 46.753 45.100 -1.106 0.000 0.777 197 G HN 0.276 nan 8.290 nan 0.000 0.539 198 S N 0.761 116.179 115.700 -0.470 0.000 2.374 198 S HA -0.024 4.446 4.470 0.001 0.000 0.227 198 S C 2.440 177.000 174.600 -0.067 0.000 1.037 198 S CA 1.766 59.945 58.200 -0.034 0.000 1.024 198 S CB -0.945 62.261 63.200 0.010 0.000 0.861 198 S HN 0.467 nan 8.310 nan 0.000 0.456 199 G N 1.314 110.073 108.800 -0.069 0.000 2.598 199 G HA2 0.227 4.187 3.960 0.001 0.000 0.215 199 G HA3 0.227 4.187 3.960 0.001 0.000 0.215 199 G C 1.288 176.080 174.900 -0.181 0.000 1.131 199 G CA 0.757 45.848 45.100 -0.015 0.000 0.785 199 G HN 0.900 nan 8.290 nan 0.000 0.539 200 I N -4.639 115.684 120.570 -0.412 0.000 4.442 200 I HA 0.723 4.893 4.170 0.001 0.000 0.331 200 I C 0.368 175.944 176.117 -0.903 0.000 1.364 200 I CA -0.330 60.609 61.300 -0.601 0.000 1.207 200 I CB 0.791 38.714 38.000 -0.128 0.000 1.298 200 I HN 0.046 nan 8.210 nan 0.000 0.463 201 A N 1.026 123.344 122.820 -0.836 0.000 2.602 201 A HA 0.591 4.911 4.320 0.001 0.000 0.290 201 A C -0.798 176.745 177.584 -0.067 0.000 1.114 201 A CA -0.567 51.279 52.037 -0.318 0.000 0.683 201 A CB 0.982 19.828 19.000 -0.257 0.000 1.281 201 A HN 0.161 nan 8.150 nan 0.000 0.416 202 N N -0.353 118.314 118.700 -0.054 0.000 2.368 202 N HA 0.198 4.938 4.740 0.001 0.000 0.178 202 N C -0.016 175.397 175.510 -0.163 0.000 1.076 202 N CA 0.843 53.763 53.050 -0.217 0.000 0.889 202 N CB 0.553 38.487 38.487 -0.921 0.000 1.040 202 N HN 0.794 nan 8.380 nan 0.000 0.463 203 S N -0.312 115.328 115.700 -0.101 0.000 2.537 203 S HA 0.580 5.051 4.470 0.001 0.000 0.271 203 S C -2.149 172.368 174.600 -0.138 0.000 1.148 203 S CA -1.166 56.889 58.200 -0.241 0.000 0.868 203 S CB 0.419 63.646 63.200 0.045 0.000 1.115 203 S HN 0.351 nan 8.310 nan 0.000 0.461 204 W N 1.100 122.321 121.300 -0.133 0.000 2.957 204 W HA 0.727 5.387 4.660 0.001 0.000 0.336 204 W C -0.454 175.977 176.519 -0.146 0.000 1.087 204 W CA -1.080 56.124 57.345 -0.235 0.000 1.235 204 W CB 0.938 30.170 29.460 -0.379 0.000 1.399 204 W HN 0.551 nan 8.180 nan 0.000 0.480 205 R N 4.017 124.534 120.500 0.029 0.000 2.522 205 R HA 0.103 4.444 4.340 0.001 0.000 0.284 205 R C 0.588 176.970 176.300 0.137 0.000 1.032 205 R CA -0.039 56.101 56.100 0.066 0.000 1.049 205 R CB 0.814 31.168 30.300 0.090 0.000 0.956 205 R HN 0.872 nan 8.270 nan 0.000 0.422 206 M N -1.068 118.620 119.600 0.147 0.000 2.313 206 M HA 0.188 4.669 4.480 0.001 0.000 0.273 206 M C 0.065 176.474 176.300 0.182 0.000 1.049 206 M CA -0.418 54.993 55.300 0.185 0.000 1.004 206 M CB 0.233 32.937 32.600 0.173 0.000 1.461 206 M HN 0.363 nan 8.290 nan 0.000 0.514 207 S N -1.380 114.442 115.700 0.203 0.000 2.688 207 S HA 0.897 5.367 4.470 0.001 0.000 0.275 207 S C 0.079 174.830 174.600 0.252 0.000 1.175 207 S CA -0.483 57.837 58.200 0.199 0.000 0.818 207 S CB 0.517 63.792 63.200 0.125 0.000 1.157 207 S HN 0.467 nan 8.310 nan 0.000 0.482 208 G N 0.148 109.024 108.800 0.127 0.000 2.634 208 G HA2 0.437 4.397 3.960 0.001 0.000 0.255 208 G HA3 0.437 4.397 3.960 0.001 0.000 0.255 208 G C -0.845 174.096 174.900 0.068 0.000 1.205 208 G CA -0.451 44.635 45.100 -0.024 0.000 0.884 208 G HN 0.725 nan 8.290 nan 0.000 0.549 209 D N -0.820 119.614 120.400 0.058 0.000 2.525 209 D HA 0.102 4.743 4.640 0.001 0.000 0.235 209 D C 0.754 177.095 176.300 0.068 0.000 1.137 209 D CA -0.095 53.978 54.000 0.122 0.000 0.868 209 D CB 1.399 42.298 40.800 0.165 0.000 1.180 209 D HN 0.117 nan 8.370 nan 0.000 0.465 210 V N 1.903 121.874 119.914 0.095 0.000 3.133 210 V HA 0.378 4.499 4.120 0.001 0.000 0.305 210 V C 0.391 176.451 176.094 -0.058 0.000 1.084 210 V CA 0.362 62.689 62.300 0.045 0.000 1.089 210 V CB 1.739 33.635 31.823 0.121 0.000 1.073 210 V HN 0.689 nan 8.190 nan 0.000 0.477 211 T N 3.011 117.505 114.554 -0.099 0.000 2.883 211 T HA 0.606 4.956 4.350 0.001 0.000 0.296 211 T C -0.126 174.508 174.700 -0.110 0.000 1.117 211 T CA -0.060 61.966 62.100 -0.122 0.000 1.006 211 T CB 1.539 70.339 68.868 -0.114 0.000 1.191 211 T HN 1.161 nan 8.240 nan 0.000 0.508 212 A N 2.903 125.674 122.820 -0.082 0.000 2.958 212 A HA 0.395 4.716 4.320 0.001 0.000 0.247 212 A C 0.149 177.710 177.584 -0.038 0.000 1.679 212 A CA 0.114 52.107 52.037 -0.073 0.000 1.345 212 A CB -0.494 18.475 19.000 -0.051 0.000 1.013 212 A HN 0.556 nan 8.150 nan 0.000 0.641 213 E N -0.891 119.281 120.200 -0.046 0.000 2.272 213 E HA 0.284 4.635 4.350 0.001 0.000 0.269 213 E C -0.320 176.299 176.600 0.033 0.000 0.877 213 E CA -0.607 55.800 56.400 0.011 0.000 0.755 213 E CB 1.360 31.033 29.700 -0.045 0.000 1.192 213 E HN 0.310 nan 8.360 nan 0.000 0.422 214 F N 2.188 122.118 119.950 -0.032 0.000 2.187 214 F HA -0.138 4.389 4.527 0.001 0.000 0.295 214 F C 2.060 177.822 175.800 -0.063 0.000 1.091 214 F CA 2.100 60.062 58.000 -0.063 0.000 1.308 214 F CB 0.457 39.461 39.000 0.005 0.000 1.030 214 F HN 0.551 nan 8.300 nan 0.000 0.487 215 T N -3.251 111.344 114.554 0.067 0.000 2.966 215 T HA 0.172 4.522 4.350 0.001 0.000 0.254 215 T C 1.073 175.757 174.700 -0.027 0.000 0.961 215 T CA -0.450 61.645 62.100 -0.008 0.000 0.915 215 T CB -0.419 68.518 68.868 0.114 0.000 1.186 215 T HN 0.006 nan 8.240 nan 0.000 0.505 216 R N 3.261 123.700 120.500 -0.101 0.000 2.501 216 R HA 0.108 4.448 4.340 0.001 0.000 0.319 216 R C -2.497 173.631 176.300 -0.288 0.000 0.913 216 R CA -0.885 54.946 56.100 -0.449 0.000 1.104 216 R CB -0.122 29.707 30.300 -0.784 0.000 0.901 216 R HN 0.249 nan 8.270 nan 0.000 0.407 217 P HA 0.064 nan 4.420 nan 0.000 0.272 217 P C -1.131 176.058 177.300 -0.185 0.000 1.223 217 P CA 0.023 63.035 63.100 -0.148 0.000 0.784 217 P CB 0.716 32.365 31.700 -0.084 0.000 0.923 218 D N -0.177 120.136 120.400 -0.145 0.000 2.934 218 D HA 0.084 4.724 4.640 0.001 0.000 0.230 218 D C 0.821 177.042 176.300 -0.132 0.000 1.204 218 D CA -0.284 53.620 54.000 -0.159 0.000 0.873 218 D CB 1.813 42.509 40.800 -0.173 0.000 1.645 218 D HN 0.280 nan 8.370 nan 0.000 0.502 219 S N 3.007 118.630 115.700 -0.129 0.000 2.442 219 S HA -0.124 4.346 4.470 0.001 0.000 0.236 219 S C 1.414 175.936 174.600 -0.130 0.000 1.007 219 S CA 0.685 58.820 58.200 -0.108 0.000 0.965 219 S CB -0.027 63.121 63.200 -0.086 0.000 0.773 219 S HN 0.495 nan 8.310 nan 0.000 0.504 220 R N -0.436 119.975 120.500 -0.148 0.000 2.299 220 R HA 0.228 4.569 4.340 0.001 0.000 0.197 220 R C 0.429 176.657 176.300 -0.119 0.000 0.971 220 R CA 0.468 56.497 56.100 -0.118 0.000 1.030 220 R CB -0.114 30.106 30.300 -0.133 0.000 0.932 220 R HN 0.451 nan 8.270 nan 0.000 0.477 221 c N 2.220 120.744 118.600 -0.127 0.000 2.787 221 c HA 0.403 4.973 4.570 0.001 0.000 0.265 221 c C -1.454 172.575 174.090 -0.101 0.000 1.190 221 c CA -2.211 54.055 56.329 -0.105 0.000 1.616 221 c CB 0.578 43.049 42.510 -0.065 0.000 1.732 221 c HN 0.258 nan 8.230 nan 0.000 0.433 222 P HA 0.006 nan 4.420 nan 0.000 0.221 222 P C 0.418 177.700 177.300 -0.031 0.000 1.150 222 P CA 0.694 63.748 63.100 -0.076 0.000 0.800 222 P CB -0.082 31.573 31.700 -0.075 0.000 0.787 223 c N 3.087 121.677 118.600 -0.016 0.000 2.576 223 c HA 0.202 4.772 4.570 0.001 0.000 0.401 223 c C 1.100 175.190 174.090 -0.001 0.000 1.314 223 c CA -0.703 55.628 56.329 0.003 0.000 1.855 223 c CB -0.743 41.781 42.510 0.023 0.000 2.537 223 c HN 0.370 nan 8.230 nan 0.000 0.578 224 D N 2.143 122.543 120.400 0.000 0.000 2.414 224 D HA 0.237 4.877 4.640 0.001 0.000 0.259 224 D C 1.412 177.727 176.300 0.025 0.000 1.269 224 D CA -0.031 53.974 54.000 0.008 0.000 1.028 224 D CB 0.123 40.929 40.800 0.010 0.000 1.093 224 D HN 0.500 nan 8.370 nan 0.000 0.545 225 G N -1.111 107.713 108.800 0.041 0.000 2.448 225 G HA2 -0.224 3.736 3.960 0.001 0.000 0.219 225 G HA3 -0.224 3.736 3.960 0.001 0.000 0.219 225 G C 0.924 175.868 174.900 0.074 0.000 1.127 225 G CA 0.571 45.704 45.100 0.056 0.000 0.766 225 G HN 0.485 nan 8.290 nan 0.000 0.552 226 D N -0.164 120.278 120.400 0.070 0.000 2.347 226 D HA 0.015 4.656 4.640 0.001 0.000 0.213 226 D C 1.072 177.393 176.300 0.034 0.000 0.985 226 D CA 0.228 54.278 54.000 0.085 0.000 0.879 226 D CB 0.214 41.057 40.800 0.072 0.000 0.919 226 D HN 0.424 nan 8.370 nan 0.000 0.526 227 E N 0.899 121.086 120.200 -0.021 0.000 2.028 227 E HA 0.010 4.360 4.350 0.001 0.000 0.275 227 E C 0.532 177.071 176.600 -0.103 0.000 1.171 227 E CA -0.373 55.946 56.400 -0.136 0.000 1.186 227 E CB -0.106 29.550 29.700 -0.074 0.000 1.256 227 E HN 0.273 nan 8.360 nan 0.000 0.474 228 Y N 0.333 120.656 120.300 0.039 0.000 2.352 228 Y HA 0.003 4.554 4.550 0.001 0.000 0.292 228 Y C 0.889 176.858 175.900 0.115 0.000 1.136 228 Y CA 0.203 58.329 58.100 0.044 0.000 1.227 228 Y CB -0.091 38.351 38.460 -0.031 0.000 0.991 228 Y HN 0.154 nan 8.280 nan 0.000 0.545 229 D N 1.203 121.447 120.400 -0.259 0.000 2.564 229 D HA 0.120 4.760 4.640 0.001 0.000 0.226 229 D C -1.077 175.222 176.300 -0.002 0.000 1.149 229 D CA -0.551 53.443 54.000 -0.010 0.000 0.994 229 D CB -0.205 40.558 40.800 -0.061 0.000 1.029 229 D HN 0.377 nan 8.370 nan 0.000 0.517 230 c N 3.627 122.276 118.600 0.082 0.000 2.388 230 c HA 0.390 4.960 4.570 0.001 0.000 0.362 230 c C 1.302 175.480 174.090 0.147 0.000 1.266 230 c CA -0.608 55.778 56.329 0.095 0.000 2.028 230 c CB 0.295 42.872 42.510 0.112 0.000 2.440 230 c HN 0.493 nan 8.230 nan 0.000 0.547 231 K N 3.085 123.574 120.400 0.147 0.000 2.352 231 K HA 0.060 4.381 4.320 0.001 0.000 0.194 231 K C -0.108 176.618 176.600 0.209 0.000 1.038 231 K CA 0.740 57.130 56.287 0.171 0.000 1.023 231 K CB 0.251 32.832 32.500 0.134 0.000 0.840 231 K HN 0.835 nan 8.250 nan 0.000 0.519 232 Y N 0.577 120.915 120.300 0.063 0.000 2.705 232 Y HA 0.253 4.803 4.550 0.001 0.000 0.355 232 Y C 1.026 176.926 175.900 0.000 0.000 1.039 232 Y CA -0.630 57.485 58.100 0.025 0.000 1.233 232 Y CB 0.880 39.350 38.460 0.015 0.000 1.103 232 Y HN -0.018 nan 8.280 nan 0.000 0.624 233 A N 3.241 126.206 122.820 0.242 0.000 1.917 233 A HA 0.081 4.402 4.320 0.001 0.000 0.219 233 A C 1.701 179.237 177.584 -0.079 0.000 1.182 233 A CA 1.953 54.042 52.037 0.087 0.000 0.633 233 A CB -1.160 17.927 19.000 0.146 0.000 0.819 233 A HN 1.228 nan 8.150 nan 0.000 0.448 234 G N -1.307 107.378 108.800 -0.192 0.000 2.575 234 G HA2 -0.093 3.867 3.960 0.001 0.000 0.267 234 G HA3 -0.093 3.867 3.960 0.001 0.000 0.267 234 G C 0.139 174.994 174.900 -0.075 0.000 1.264 234 G CA 0.614 45.577 45.100 -0.228 0.000 0.935 234 G HN 1.959 nan 8.290 nan 0.000 0.568 235 F N -4.807 115.009 119.950 -0.224 0.000 2.985 235 F HA 0.694 5.221 4.527 0.000 0.000 0.322 235 F C 0.559 176.356 175.800 -0.004 0.000 1.187 235 F CA -0.357 57.557 58.000 -0.144 0.000 0.910 235 F CB 0.736 39.647 39.000 -0.149 0.000 1.411 235 F HN 0.953 nan 8.300 nan 0.000 0.492 236 H N -1.145 117.761 119.070 -0.274 0.000 2.820 236 H HA -0.178 4.378 4.556 0.001 0.000 0.295 236 H C -0.452 174.760 175.328 -0.194 0.000 1.187 236 H CA 0.595 56.446 56.048 -0.328 0.000 1.144 236 H CB -1.794 27.641 29.762 -0.544 0.000 1.354 236 H HN 0.677 nan 8.280 nan 0.000 0.395 237 c N 2.048 120.619 118.600 -0.047 0.000 2.601 237 c HA 0.324 4.895 4.570 0.001 0.000 0.409 237 c C 1.567 175.627 174.090 -0.050 0.000 1.293 237 c CA 0.071 56.378 56.329 -0.036 0.000 2.101 237 c CB 0.844 43.355 42.510 0.001 0.000 2.639 237 c HN 0.644 nan 8.230 nan 0.000 0.592 238 S N 2.447 118.105 115.700 -0.071 0.000 2.614 238 S HA 0.317 4.788 4.470 0.001 0.000 0.265 238 S C 0.961 175.500 174.600 -0.101 0.000 1.303 238 S CA -0.487 57.650 58.200 -0.104 0.000 1.000 238 S CB 0.281 63.406 63.200 -0.125 0.000 0.935 238 S HN 0.584 nan 8.310 nan 0.000 0.551 239 I N 0.580 121.032 120.570 -0.197 0.000 2.151 239 I HA -0.211 3.959 4.170 0.001 0.000 0.243 239 I C 2.430 178.462 176.117 -0.142 0.000 1.080 239 I CA 1.449 62.620 61.300 -0.216 0.000 1.339 239 I CB -0.302 37.391 38.000 -0.512 0.000 1.039 239 I HN 0.604 nan 8.210 nan 0.000 0.409 240 M N -0.246 119.128 119.600 -0.377 0.000 2.254 240 M HA -0.164 4.317 4.480 0.001 0.000 0.265 240 M C 2.096 178.337 176.300 -0.098 0.000 1.066 240 M CA 1.302 56.428 55.300 -0.289 0.000 1.123 240 M CB -1.581 30.779 32.600 -0.399 0.000 1.388 240 M HN 0.382 nan 8.290 nan 0.000 0.425 241 N N 1.117 119.773 118.700 -0.072 0.000 2.120 241 N HA -0.133 4.608 4.740 0.001 0.000 0.188 241 N C 1.652 177.170 175.510 0.013 0.000 1.024 241 N CA 1.334 54.373 53.050 -0.018 0.000 0.852 241 N CB 0.057 38.530 38.487 -0.024 0.000 1.003 241 N HN 0.354 nan 8.380 nan 0.000 0.424 242 I N 0.497 121.089 120.570 0.037 0.000 2.333 242 I HA -0.205 3.966 4.170 0.001 0.000 0.246 242 I C 2.385 178.473 176.117 -0.047 0.000 1.106 242 I CA 0.311 61.633 61.300 0.038 0.000 1.411 242 I CB -0.210 37.865 38.000 0.125 0.000 1.082 242 I HN 0.113 nan 8.210 nan 0.000 0.420 243 L N 1.285 122.482 121.223 -0.042 0.000 2.042 243 L HA -0.221 4.120 4.340 0.001 0.000 0.210 243 L C 2.129 179.010 176.870 0.020 0.000 1.076 243 L CA 1.952 56.724 54.840 -0.113 0.000 0.749 243 L CB -0.864 41.163 42.059 -0.054 0.000 0.893 243 L HN 0.199 nan 8.230 nan 0.000 0.432 244 N N -0.043 118.683 118.700 0.044 0.000 2.166 244 N HA -0.185 4.555 4.740 0.001 0.000 0.186 244 N C 1.807 177.348 175.510 0.053 0.000 1.019 244 N CA 1.347 54.437 53.050 0.066 0.000 0.856 244 N CB -0.146 38.371 38.487 0.049 0.000 0.993 244 N HN 0.439 nan 8.380 nan 0.000 0.426 245 K N 0.366 120.791 120.400 0.043 0.000 2.148 245 K HA 0.080 4.400 4.320 0.001 0.000 0.204 245 K C 1.864 178.471 176.600 0.012 0.000 1.050 245 K CA 1.037 57.361 56.287 0.062 0.000 0.942 245 K CB 0.005 32.547 32.500 0.070 0.000 0.724 245 K HN 0.111 nan 8.250 nan 0.000 0.446 246 A N 1.091 123.893 122.820 -0.030 0.000 2.067 246 A HA 0.060 4.380 4.320 0.001 0.000 0.217 246 A C 2.251 179.805 177.584 -0.050 0.000 1.156 246 A CA 1.201 53.192 52.037 -0.077 0.000 0.683 246 A CB -0.448 18.456 19.000 -0.160 0.000 0.808 246 A HN 0.280 nan 8.150 nan 0.000 0.455 247 A N 1.259 124.103 122.820 0.039 0.000 1.896 247 A HA -0.185 4.135 4.320 0.001 0.000 0.220 247 A C 0.464 177.941 177.584 -0.178 0.000 1.206 247 A CA 2.189 54.234 52.037 0.014 0.000 0.647 247 A CB -1.741 17.201 19.000 -0.097 0.000 0.828 247 A HN 0.534 nan 8.150 nan 0.000 0.455 248 P HA -0.000 nan 4.420 nan 0.000 0.236 248 P C 1.236 178.275 177.300 -0.435 0.000 1.177 248 P CA 0.854 63.726 63.100 -0.380 0.000 0.773 248 P CB -0.106 31.273 31.700 -0.535 0.000 0.878 249 M N -0.949 118.407 119.600 -0.407 0.000 2.558 249 M HA 0.089 4.570 4.480 0.001 0.000 0.255 249 M C 2.174 178.356 176.300 -0.197 0.000 1.113 249 M CA 0.969 56.004 55.300 -0.443 0.000 1.097 249 M CB -0.776 31.613 32.600 -0.352 0.000 1.426 249 M HN -0.062 nan 8.290 nan 0.000 0.488 250 G N 1.708 110.435 108.800 -0.122 0.000 2.505 250 G HA2 -0.295 3.666 3.960 0.001 0.000 0.220 250 G HA3 -0.295 3.666 3.960 0.001 0.000 0.220 250 G C 1.348 176.240 174.900 -0.013 0.000 1.145 250 G CA 1.145 46.227 45.100 -0.029 0.000 0.761 250 G HN 0.699 nan 8.290 nan 0.000 0.571 251 Q N -0.368 119.396 119.800 -0.061 0.000 2.364 251 Q HA -0.021 4.319 4.340 0.001 0.000 0.209 251 Q C 1.168 177.172 176.000 0.007 0.000 0.977 251 Q CA 1.410 57.196 55.803 -0.028 0.000 0.885 251 Q CB -0.238 28.465 28.738 -0.058 0.000 0.941 251 Q HN 0.459 nan 8.270 nan 0.000 0.464 252 N N 0.101 118.810 118.700 0.015 0.000 2.238 252 N HA 0.315 5.055 4.740 0.001 0.000 0.222 252 N C -0.946 174.680 175.510 0.193 0.000 1.133 252 N CA 0.219 53.331 53.050 0.103 0.000 0.854 252 N CB 1.358 39.933 38.487 0.148 0.000 1.041 252 N HN 0.367 nan 8.380 nan 0.000 0.510 253 A N -0.472 122.418 122.820 0.117 0.000 2.354 253 A HA 0.976 5.296 4.320 0.001 0.000 0.321 253 A C 0.389 177.920 177.584 -0.089 0.000 1.125 253 A CA -0.289 51.780 52.037 0.052 0.000 0.799 253 A CB 1.261 20.321 19.000 0.100 0.000 1.293 253 A HN 0.186 nan 8.150 nan 0.000 0.452 254 G N -1.468 107.048 108.800 -0.474 0.000 2.321 254 G HA2 0.483 4.444 3.960 0.001 0.000 0.296 254 G HA3 0.483 4.444 3.960 0.001 0.000 0.296 254 G C -1.140 173.007 174.900 -1.254 0.000 1.287 254 G CA -0.158 44.601 45.100 -0.569 0.000 0.846 254 G HN 1.199 nan 8.290 nan 0.000 0.508 255 V N 1.560 121.140 119.914 -0.558 0.000 2.506 255 V HA 0.358 4.478 4.120 0.001 0.000 0.296 255 V C 1.761 177.630 176.094 -0.376 0.000 1.004 255 V CA 2.363 64.472 62.300 -0.317 0.000 1.150 255 V CB 0.113 31.927 31.823 -0.014 0.000 0.911 255 V HN 2.551 nan 8.190 nan 0.000 0.476 256 G N 3.779 112.343 108.800 -0.394 0.000 2.213 256 G HA2 -0.064 3.896 3.960 0.001 0.000 0.236 256 G HA3 -0.064 3.896 3.960 0.001 0.000 0.236 256 G C 0.410 175.097 174.900 -0.354 0.000 0.991 256 G CA -0.113 44.846 45.100 -0.235 0.000 0.629 256 G HN 1.702 nan 8.290 nan 0.000 0.517 257 G N -0.696 107.633 108.800 -0.784 0.000 2.513 257 G HA2 0.513 4.474 3.960 0.001 0.000 0.282 257 G HA3 0.513 4.474 3.960 0.001 0.000 0.282 257 G C -0.790 173.503 174.900 -1.013 0.000 1.397 257 G CA -0.482 44.281 45.100 -0.561 0.000 1.291 257 G HN 0.443 nan 8.290 nan 0.000 0.596 258 W N 1.212 122.021 121.300 -0.818 0.000 2.706 258 W HA 0.474 5.134 4.660 0.001 0.000 0.346 258 W C 0.070 175.798 176.519 -1.319 0.000 1.071 258 W CA -1.152 55.730 57.345 -0.771 0.000 1.206 258 W CB 1.627 30.850 29.460 -0.396 0.000 1.413 258 W HN 0.241 nan 8.180 nan 0.000 0.542 259 N N 2.307 120.683 118.700 -0.541 0.000 2.470 259 N HA 0.011 4.752 4.740 0.001 0.000 0.268 259 N C -1.065 174.225 175.510 -0.366 0.000 1.136 259 N CA 0.220 52.962 53.050 -0.514 0.000 0.961 259 N CB 0.885 39.272 38.487 -0.167 0.000 1.067 259 N HN 0.372 nan 8.380 nan 0.000 0.468 260 D N 2.692 122.893 120.400 -0.331 0.000 2.349 260 D HA 0.183 4.823 4.640 0.001 0.000 0.232 260 D C 0.398 176.623 176.300 -0.125 0.000 1.071 260 D CA -0.450 53.440 54.000 -0.184 0.000 0.832 260 D CB 0.764 41.498 40.800 -0.110 0.000 1.086 260 D HN 0.341 nan 8.370 nan 0.000 0.504 261 L N 2.507 123.606 121.223 -0.206 0.000 2.685 261 L HA 0.238 4.578 4.340 0.001 0.000 0.233 261 L C 0.268 177.274 176.870 0.228 0.000 1.173 261 L CA -0.244 54.468 54.840 -0.213 0.000 0.961 261 L CB -0.846 40.623 42.059 -0.984 0.000 1.217 261 L HN 0.465 nan 8.230 nan 0.000 0.478 262 D N 0.233 120.777 120.400 0.239 0.000 10.757 262 D HA -0.182 4.458 4.640 0.001 0.000 0.352 262 D C -0.272 176.274 176.300 0.409 0.000 3.129 262 D CA 0.323 54.509 54.000 0.310 0.000 2.630 262 D CB 0.249 41.229 40.800 0.300 0.000 1.214 262 D HN 0.092 nan 8.370 nan 0.000 0.943 263 N N 0.600 119.470 118.700 0.283 0.000 2.345 263 N HA 0.143 4.883 4.740 0.001 0.000 0.243 263 N C -0.006 175.657 175.510 0.254 0.000 1.246 263 N CA 0.103 53.299 53.050 0.244 0.000 0.863 263 N CB 0.065 38.648 38.487 0.161 0.000 1.096 263 N HN 0.326 nan 8.380 nan 0.000 0.446 264 L N 1.652 123.012 121.223 0.229 0.000 2.453 264 L HA 0.030 4.370 4.340 0.001 0.000 0.272 264 L C 1.624 178.627 176.870 0.222 0.000 1.182 264 L CA 0.211 55.145 54.840 0.157 0.000 0.858 264 L CB 0.515 42.693 42.059 0.199 0.000 1.120 264 L HN 0.409 nan 8.230 nan 0.000 0.474 265 E N 1.794 122.159 120.200 0.275 0.000 2.463 265 E HA 0.079 4.430 4.350 0.001 0.000 0.193 265 E C -0.167 176.483 176.600 0.082 0.000 1.041 265 E CA -0.061 56.404 56.400 0.108 0.000 0.879 265 E CB 0.546 30.208 29.700 -0.063 0.000 0.997 265 E HN 0.334 nan 8.360 nan 0.000 0.478 266 V N 1.149 121.099 119.914 0.060 0.000 2.493 266 V HA 0.121 4.242 4.120 0.001 0.000 0.292 266 V C 1.529 177.633 176.094 0.017 0.000 1.016 266 V CA 1.349 63.569 62.300 -0.133 0.000 1.097 266 V CB 0.373 31.809 31.823 -0.645 0.000 0.947 266 V HN 0.553 nan 8.190 nan 0.000 0.479 267 G N 3.818 112.619 108.800 0.003 0.000 2.195 267 G HA2 -0.196 3.765 3.960 0.001 0.000 0.246 267 G HA3 -0.196 3.765 3.960 0.001 0.000 0.246 267 G C 0.015 174.939 174.900 0.040 0.000 0.984 267 G CA -0.002 45.139 45.100 0.068 0.000 0.633 267 G HN 0.824 nan 8.290 nan 0.000 0.525 268 V N 0.705 120.633 119.914 0.023 0.000 2.547 268 V HA 0.823 4.943 4.120 0.001 0.000 0.299 268 V C 1.417 177.492 176.094 -0.031 0.000 1.040 268 V CA 0.421 62.713 62.300 -0.014 0.000 0.913 268 V CB 0.748 32.562 31.823 -0.015 0.000 0.992 268 V HN 2.038 nan 8.190 nan 0.000 0.449 269 G N 4.749 113.523 108.800 -0.043 0.000 2.552 269 G HA2 -0.284 3.677 3.960 0.001 0.000 0.265 269 G HA3 -0.284 3.677 3.960 0.001 0.000 0.265 269 G C -0.061 174.818 174.900 -0.035 0.000 1.234 269 G CA 0.578 45.654 45.100 -0.040 0.000 0.944 269 G HN 0.873 nan 8.290 nan 0.000 0.568 270 N N 0.065 118.747 118.700 -0.030 0.000 2.644 270 N HA 0.465 5.205 4.740 0.001 0.000 0.313 270 N C -0.120 175.370 175.510 -0.033 0.000 1.863 270 N CA -0.418 52.614 53.050 -0.032 0.000 0.918 270 N CB 0.576 39.047 38.487 -0.026 0.000 1.320 270 N HN 0.482 nan 8.380 nan 0.000 0.490 271 L N 0.668 121.865 121.223 -0.042 0.000 2.436 271 L HA 0.323 4.663 4.340 0.001 0.000 0.265 271 L C 1.383 178.199 176.870 -0.090 0.000 1.168 271 L CA -0.520 54.287 54.840 -0.056 0.000 0.815 271 L CB 0.547 42.572 42.059 -0.057 0.000 1.109 271 L HN 0.269 nan 8.230 nan 0.000 0.462 272 T N -2.892 111.589 114.554 -0.122 0.000 2.813 272 T HA 0.017 4.367 4.350 0.001 0.000 0.297 272 T C 0.747 175.343 174.700 -0.173 0.000 1.036 272 T CA -0.433 61.579 62.100 -0.146 0.000 1.044 272 T CB 1.024 69.789 68.868 -0.172 0.000 0.993 272 T HN 0.703 nan 8.240 nan 0.000 0.535 273 D N 0.146 120.442 120.400 -0.174 0.000 2.123 273 D HA -0.149 4.491 4.640 0.001 0.000 0.196 273 D C 1.586 177.722 176.300 -0.273 0.000 0.992 273 D CA 1.458 55.332 54.000 -0.210 0.000 0.833 273 D CB -0.212 40.475 40.800 -0.189 0.000 0.954 273 D HN 0.603 nan 8.370 nan 0.000 0.455 274 D N 0.032 120.275 120.400 -0.262 0.000 2.117 274 D HA -0.135 4.505 4.640 0.001 0.000 0.197 274 D C 1.960 178.053 176.300 -0.344 0.000 0.987 274 D CA 0.821 54.645 54.000 -0.293 0.000 0.829 274 D CB -0.198 40.460 40.800 -0.237 0.000 0.961 274 D HN 0.478 nan 8.370 nan 0.000 0.460 275 E N 0.642 120.612 120.200 -0.382 0.000 2.110 275 E HA -0.146 4.205 4.350 0.001 0.000 0.193 275 E C 2.037 178.503 176.600 -0.223 0.000 0.988 275 E CA 0.714 56.797 56.400 -0.528 0.000 0.804 275 E CB 0.053 29.477 29.700 -0.460 0.000 0.745 275 E HN 0.386 nan 8.360 nan 0.000 0.458 276 E N 0.704 120.792 120.200 -0.186 0.000 2.072 276 E HA -0.147 4.204 4.350 0.001 0.000 0.191 276 E C 1.997 178.511 176.600 -0.143 0.000 0.985 276 E CA 0.703 57.025 56.400 -0.130 0.000 0.801 276 E CB 0.051 29.637 29.700 -0.190 0.000 0.750 276 E HN 0.155 nan 8.360 nan 0.000 0.452 277 K N 0.676 120.907 120.400 -0.282 0.000 2.026 277 K HA -0.124 4.197 4.320 0.001 0.000 0.208 277 K C 2.274 178.818 176.600 -0.095 0.000 1.048 277 K CA 1.101 57.171 56.287 -0.363 0.000 0.929 277 K CB -0.189 31.797 32.500 -0.857 0.000 0.713 277 K HN 0.025 nan 8.250 nan 0.000 0.439 278 A N 1.343 124.093 122.820 -0.117 0.000 1.883 278 A HA -0.249 4.072 4.320 0.001 0.000 0.217 278 A C 2.048 179.686 177.584 0.091 0.000 1.186 278 A CA 2.070 54.101 52.037 -0.010 0.000 0.624 278 A CB -0.906 18.127 19.000 0.056 0.000 0.822 278 A HN 0.421 nan 8.150 nan 0.000 0.444 279 H N -1.381 117.710 119.070 0.034 0.000 2.319 279 H HA -0.167 4.389 4.556 0.001 0.000 0.299 279 H C 1.670 176.907 175.328 -0.151 0.000 1.092 279 H CA 2.112 58.084 56.048 -0.126 0.000 1.302 279 H CB -0.596 29.029 29.762 -0.230 0.000 1.373 279 H HN 0.429 nan 8.280 nan 0.000 0.497 280 F N 0.627 120.359 119.950 -0.363 0.000 2.163 280 F HA -0.088 4.440 4.527 0.001 0.000 0.297 280 F C 2.528 178.223 175.800 -0.175 0.000 1.094 280 F CA 1.490 59.292 58.000 -0.331 0.000 1.290 280 F CB -0.519 38.369 39.000 -0.187 0.000 1.017 280 F HN 0.147 nan 8.300 nan 0.000 0.483 281 S N 0.508 116.081 115.700 -0.211 0.000 2.348 281 S HA -0.204 4.266 4.470 0.001 0.000 0.221 281 S C 2.024 176.238 174.600 -0.643 0.000 1.033 281 S CA 1.614 59.397 58.200 -0.696 0.000 1.010 281 S CB -0.347 62.198 63.200 -1.090 0.000 0.891 281 S HN 0.276 nan 8.310 nan 0.000 0.442 282 M N 0.357 119.724 119.600 -0.388 0.000 2.086 282 M HA -0.055 4.426 4.480 0.001 0.000 0.261 282 M C 1.933 178.131 176.300 -0.170 0.000 1.067 282 M CA 1.186 56.303 55.300 -0.306 0.000 1.116 282 M CB -1.491 30.986 32.600 -0.206 0.000 1.348 282 M HN 0.492 nan 8.290 nan 0.000 0.407 283 W N 0.282 121.345 121.300 -0.395 0.000 2.342 283 W HA -0.212 4.448 4.660 0.001 0.000 0.297 283 W C 2.411 178.693 176.519 -0.396 0.000 1.213 283 W CA 1.206 58.341 57.345 -0.350 0.000 1.251 283 W CB -0.263 28.991 29.460 -0.345 0.000 1.136 283 W HN 0.312 nan 8.180 nan 0.000 0.526 284 A N -0.332 122.312 122.820 -0.293 0.000 1.897 284 A HA -0.204 4.117 4.320 0.001 0.000 0.215 284 A C 1.876 179.316 177.584 -0.239 0.000 1.181 284 A CA 1.401 53.224 52.037 -0.358 0.000 0.620 284 A CB -0.931 17.767 19.000 -0.503 0.000 0.821 284 A HN 0.257 nan 8.150 nan 0.000 0.443 285 M N 0.434 119.937 119.600 -0.162 0.000 2.296 285 M HA -0.091 4.390 4.480 0.001 0.000 0.265 285 M C 1.590 177.816 176.300 -0.123 0.000 1.064 285 M CA 1.697 56.962 55.300 -0.058 0.000 1.109 285 M CB -0.035 32.604 32.600 0.066 0.000 1.396 285 M HN 0.386 nan 8.290 nan 0.000 0.430 286 V N -3.152 116.629 119.914 -0.221 0.000 3.633 286 V HA 0.189 4.309 4.120 0.001 0.000 0.283 286 V C 0.330 176.317 176.094 -0.178 0.000 1.305 286 V CA -0.051 62.136 62.300 -0.188 0.000 1.153 286 V CB -0.871 30.779 31.823 -0.289 0.000 0.950 286 V HN 0.463 nan 8.190 nan 0.000 0.432 287 K N 0.645 120.901 120.400 -0.239 0.000 3.096 287 K HA -0.170 4.151 4.320 0.001 0.000 0.266 287 K C 0.374 176.739 176.600 -0.392 0.000 1.043 287 K CA 1.057 57.123 56.287 -0.368 0.000 0.758 287 K CB -2.167 30.126 32.500 -0.344 0.000 1.260 287 K HN 0.822 nan 8.250 nan 0.000 0.481 288 S N 0.482 115.972 115.700 -0.350 0.000 2.584 288 S HA 0.447 4.917 4.470 0.001 0.000 0.273 288 S C -2.315 172.134 174.600 -0.252 0.000 1.311 288 S CA -1.618 56.391 58.200 -0.318 0.000 1.034 288 S CB 0.754 63.684 63.200 -0.449 0.000 0.939 288 S HN -0.009 nan 8.310 nan 0.000 0.513 289 P HA 0.037 nan 4.420 nan 0.000 0.261 289 P C -1.054 176.260 177.300 0.022 0.000 1.173 289 P CA 0.495 63.540 63.100 -0.090 0.000 0.760 289 P CB 0.095 31.786 31.700 -0.014 0.000 0.783 290 L N 5.223 126.460 121.223 0.024 0.000 2.314 290 L HA 0.403 4.743 4.340 0.001 0.000 0.275 290 L C 0.254 177.303 176.870 0.298 0.000 1.068 290 L CA -0.143 54.806 54.840 0.182 0.000 0.894 290 L CB -0.138 41.999 42.059 0.131 0.000 1.275 290 L HN 0.255 nan 8.230 nan 0.000 0.432 291 I N 3.780 124.526 120.570 0.294 0.000 2.382 291 I HA 0.323 4.493 4.170 0.001 0.000 0.286 291 I C 0.208 176.479 176.117 0.257 0.000 1.002 291 I CA -0.562 60.889 61.300 0.251 0.000 1.135 291 I CB 2.093 40.169 38.000 0.127 0.000 1.288 291 I HN 0.404 nan 8.210 nan 0.000 0.448 292 I N 5.570 126.265 120.570 0.209 0.000 2.587 292 I HA 0.037 4.207 4.170 0.001 0.000 0.284 292 I C 1.437 177.609 176.117 0.091 0.000 1.134 292 I CA 0.531 61.876 61.300 0.075 0.000 1.410 292 I CB 0.721 38.606 38.000 -0.191 0.000 1.392 292 I HN 0.802 nan 8.210 nan 0.000 0.545 293 G N 4.970 113.860 108.800 0.150 0.000 2.921 293 G HA2 0.328 4.289 3.960 0.001 0.000 0.213 293 G HA3 0.328 4.289 3.960 0.001 0.000 0.213 293 G C 0.681 175.638 174.900 0.095 0.000 1.143 293 G CA 0.194 45.330 45.100 0.059 0.000 0.764 293 G HN 0.707 nan 8.290 nan 0.000 0.542 294 A N 0.609 123.548 122.820 0.200 0.000 2.386 294 A HA 0.441 4.761 4.320 0.001 0.000 0.248 294 A C 0.268 178.007 177.584 0.258 0.000 1.082 294 A CA -0.447 51.699 52.037 0.180 0.000 0.789 294 A CB 0.251 19.393 19.000 0.237 0.000 1.025 294 A HN 0.187 nan 8.150 nan 0.000 0.490 295 N N 1.415 120.182 118.700 0.112 0.000 2.399 295 N HA 0.099 4.839 4.740 0.001 0.000 0.259 295 N C 1.035 176.630 175.510 0.142 0.000 1.160 295 N CA 0.314 53.472 53.050 0.180 0.000 0.946 295 N CB 0.810 39.283 38.487 -0.023 0.000 1.156 295 N HN 0.615 nan 8.380 nan 0.000 0.489 296 V N 1.590 121.565 119.914 0.102 0.000 2.913 296 V HA -0.067 4.053 4.120 0.001 0.000 0.260 296 V C 1.003 177.063 176.094 -0.057 0.000 1.098 296 V CA 1.498 63.767 62.300 -0.051 0.000 1.121 296 V CB -0.761 30.927 31.823 -0.225 0.000 0.714 296 V HN 0.540 nan 8.190 nan 0.000 0.487 297 N N 1.033 119.732 118.700 -0.002 0.000 2.467 297 N HA 0.036 4.777 4.740 0.001 0.000 0.184 297 N C 0.997 176.509 175.510 0.003 0.000 1.106 297 N CA 0.704 53.747 53.050 -0.012 0.000 0.892 297 N CB -0.041 38.455 38.487 0.015 0.000 0.969 297 N HN 0.495 nan 8.380 nan 0.000 0.454 298 N N 0.457 119.169 118.700 0.019 0.000 2.466 298 N HA 0.105 4.845 4.740 0.001 0.000 0.272 298 N C -1.490 174.022 175.510 0.003 0.000 1.455 298 N CA -0.296 52.758 53.050 0.007 0.000 0.875 298 N CB 0.179 38.675 38.487 0.016 0.000 1.372 298 N HN 0.026 nan 8.380 nan 0.000 0.492 299 L N 2.090 123.312 121.223 -0.002 0.000 2.305 299 L HA 0.382 4.723 4.340 0.001 0.000 0.281 299 L C 0.474 177.350 176.870 0.010 0.000 1.085 299 L CA -0.326 54.529 54.840 0.025 0.000 0.813 299 L CB 0.478 42.562 42.059 0.042 0.000 1.157 299 L HN 0.137 nan 8.230 nan 0.000 0.436 300 K N 4.101 124.519 120.400 0.030 0.000 2.126 300 K HA 0.559 4.879 4.320 0.001 0.000 0.257 300 K C 0.776 177.410 176.600 0.057 0.000 1.007 300 K CA -0.043 56.256 56.287 0.019 0.000 0.928 300 K CB 0.734 33.236 32.500 0.003 0.000 1.013 300 K HN 0.594 nan 8.250 nan 0.000 0.473 301 A N 1.818 124.665 122.820 0.046 0.000 1.859 301 A HA -0.256 4.064 4.320 0.001 0.000 0.217 301 A C 2.349 179.997 177.584 0.106 0.000 1.198 301 A CA 2.528 54.623 52.037 0.096 0.000 0.629 301 A CB -1.428 17.607 19.000 0.059 0.000 0.830 301 A HN 0.963 nan 8.150 nan 0.000 0.446 302 S N -0.215 115.504 115.700 0.031 0.000 2.374 302 S HA -0.181 4.289 4.470 0.001 0.000 0.227 302 S C 2.040 176.610 174.600 -0.050 0.000 1.037 302 S CA 1.868 60.055 58.200 -0.021 0.000 1.024 302 S CB -0.860 62.303 63.200 -0.062 0.000 0.861 302 S HN 0.483 nan 8.310 nan 0.000 0.456 303 S N 0.840 116.524 115.700 -0.028 0.000 2.368 303 S HA -0.040 4.431 4.470 0.001 0.000 0.224 303 S C 1.565 176.174 174.600 0.015 0.000 1.029 303 S CA 1.161 59.319 58.200 -0.070 0.000 0.988 303 S CB -0.695 62.504 63.200 -0.002 0.000 0.838 303 S HN 0.657 nan 8.310 nan 0.000 0.462 304 Y N 3.260 123.573 120.300 0.023 0.000 2.128 304 Y HA -0.231 4.319 4.550 0.001 0.000 0.284 304 Y C 2.654 178.581 175.900 0.045 0.000 1.154 304 Y CA 1.547 59.691 58.100 0.074 0.000 1.149 304 Y CB -0.816 37.668 38.460 0.041 0.000 0.976 304 Y HN 0.363 nan 8.280 nan 0.000 0.505 305 S N -0.421 115.224 115.700 -0.092 0.000 2.402 305 S HA -0.184 4.287 4.470 0.001 0.000 0.229 305 S C 2.044 176.585 174.600 -0.098 0.000 1.021 305 S CA 1.403 59.516 58.200 -0.146 0.000 0.974 305 S CB -1.013 62.184 63.200 -0.004 0.000 0.800 305 S HN 0.530 nan 8.310 nan 0.000 0.484 306 I N 0.354 120.835 120.570 -0.147 0.000 2.142 306 I HA -0.159 4.011 4.170 0.001 0.000 0.240 306 I C 2.338 178.085 176.117 -0.617 0.000 1.078 306 I CA 1.595 62.761 61.300 -0.223 0.000 1.343 306 I CB -0.475 37.285 38.000 -0.400 0.000 1.046 306 I HN 0.234 nan 8.210 nan 0.000 0.405 307 Y N 0.571 120.520 120.300 -0.585 0.000 2.298 307 Y HA -0.254 4.296 4.550 0.001 0.000 0.287 307 Y C 2.561 178.343 175.900 -0.196 0.000 1.164 307 Y CA 1.245 59.024 58.100 -0.535 0.000 1.229 307 Y CB -0.165 38.088 38.460 -0.346 0.000 0.977 307 Y HN 0.281 nan 8.280 nan 0.000 0.538 308 S N -1.129 114.515 115.700 -0.093 0.000 2.572 308 S HA 0.073 4.544 4.470 0.001 0.000 0.228 308 S C 0.400 175.017 174.600 0.028 0.000 0.963 308 S CA -0.519 57.659 58.200 -0.037 0.000 0.939 308 S CB 0.028 63.047 63.200 -0.303 0.000 0.804 308 S HN 0.173 nan 8.310 nan 0.000 0.480 309 Q N 2.014 121.832 119.800 0.031 0.000 2.431 309 Q HA 0.611 4.952 4.340 0.001 0.000 0.234 309 Q C 1.099 177.093 176.000 -0.012 0.000 1.203 309 Q CA 0.173 55.971 55.803 -0.008 0.000 0.902 309 Q CB 0.283 28.920 28.738 -0.168 0.000 1.455 309 Q HN 0.453 nan 8.270 nan 0.000 0.515 310 A N 2.667 125.491 122.820 0.006 0.000 1.940 310 A HA -0.213 4.107 4.320 0.001 0.000 0.219 310 A C 2.150 179.622 177.584 -0.187 0.000 1.176 310 A CA 1.871 53.895 52.037 -0.022 0.000 0.631 310 A CB -0.591 18.395 19.000 -0.023 0.000 0.814 310 A HN 0.702 nan 8.150 nan 0.000 0.446 311 S N -0.889 114.693 115.700 -0.198 0.000 2.365 311 S HA -0.160 4.311 4.470 0.001 0.000 0.225 311 S C 1.881 176.296 174.600 -0.308 0.000 1.039 311 S CA 1.861 59.904 58.200 -0.261 0.000 1.033 311 S CB -0.378 62.689 63.200 -0.221 0.000 0.887 311 S HN 0.359 nan 8.310 nan 0.000 0.447 312 V N 1.529 121.265 119.914 -0.297 0.000 2.407 312 V HA -0.021 4.099 4.120 0.001 0.000 0.245 312 V C 2.104 178.021 176.094 -0.294 0.000 1.041 312 V CA 1.338 63.488 62.300 -0.251 0.000 1.040 312 V CB -0.565 31.084 31.823 -0.291 0.000 0.671 312 V HN 0.470 nan 8.190 nan 0.000 0.455 313 I N 1.003 121.407 120.570 -0.276 0.000 2.264 313 I HA -0.281 3.890 4.170 0.001 0.000 0.248 313 I C 2.698 178.394 176.117 -0.701 0.000 1.111 313 I CA 1.548 62.592 61.300 -0.428 0.000 1.382 313 I CB -0.618 37.175 38.000 -0.346 0.000 1.060 313 I HN 0.298 nan 8.210 nan 0.000 0.418 314 A N 1.206 123.586 122.820 -0.733 0.000 1.940 314 A HA -0.199 4.121 4.320 0.001 0.000 0.219 314 A C 2.252 179.568 177.584 -0.447 0.000 1.176 314 A CA 1.496 53.130 52.037 -0.671 0.000 0.631 314 A CB -0.605 18.101 19.000 -0.489 0.000 0.814 314 A HN 0.330 nan 8.150 nan 0.000 0.446 315 I N 0.598 120.945 120.570 -0.371 0.000 2.142 315 I HA -0.245 3.925 4.170 0.001 0.000 0.240 315 I C 2.400 178.354 176.117 -0.273 0.000 1.078 315 I CA 1.751 62.886 61.300 -0.274 0.000 1.343 315 I CB -1.601 36.280 38.000 -0.199 0.000 1.046 315 I HN 0.540 nan 8.210 nan 0.000 0.405 316 N N 0.891 119.392 118.700 -0.332 0.000 2.166 316 N HA -0.201 4.540 4.740 0.001 0.000 0.186 316 N C 1.343 176.624 175.510 -0.381 0.000 1.019 316 N CA 1.082 53.913 53.050 -0.364 0.000 0.856 316 N CB 0.194 38.443 38.487 -0.397 0.000 0.993 316 N HN 0.389 nan 8.380 nan 0.000 0.426 317 Q N 1.111 120.679 119.800 -0.387 0.000 2.280 317 Q HA 0.054 4.395 4.340 0.001 0.000 0.202 317 Q C -0.695 175.199 176.000 -0.177 0.000 0.903 317 Q CA -0.108 55.517 55.803 -0.298 0.000 0.948 317 Q CB -0.524 28.002 28.738 -0.354 0.000 1.058 317 Q HN 0.334 nan 8.270 nan 0.000 0.493 318 D N 1.566 121.857 120.400 -0.181 0.000 2.533 318 D HA -0.056 4.585 4.640 0.001 0.000 0.236 318 D C -0.141 176.153 176.300 -0.011 0.000 1.137 318 D CA 0.298 54.243 54.000 -0.091 0.000 0.867 318 D CB 0.747 41.496 40.800 -0.086 0.000 1.170 318 D HN 0.077 nan 8.370 nan 0.000 0.474 319 S N 3.583 119.300 115.700 0.028 0.000 2.576 319 S HA 0.130 4.600 4.470 0.001 0.000 0.276 319 S C 0.250 174.905 174.600 0.091 0.000 1.339 319 S CA -0.869 57.375 58.200 0.073 0.000 1.039 319 S CB 0.644 63.886 63.200 0.070 0.000 0.902 319 S HN 0.609 nan 8.310 nan 0.000 0.516 320 N N 0.377 119.152 118.700 0.126 0.000 2.714 320 N HA -0.119 4.622 4.740 0.001 0.000 0.253 320 N C 0.355 175.961 175.510 0.161 0.000 1.024 320 N CA 1.074 54.203 53.050 0.132 0.000 0.726 320 N CB -1.725 36.816 38.487 0.090 0.000 0.908 320 N HN 1.061 nan 8.380 nan 0.000 0.542 321 G N 0.005 108.958 108.800 0.255 0.000 2.353 321 G HA2 0.384 4.344 3.960 0.001 0.000 0.239 321 G HA3 0.384 4.344 3.960 0.001 0.000 0.239 321 G C 0.346 175.422 174.900 0.294 0.000 1.295 321 G CA -0.192 45.062 45.100 0.257 0.000 0.884 321 G HN 0.422 nan 8.290 nan 0.000 0.537 322 I N 3.881 124.558 120.570 0.179 0.000 2.447 322 I HA 0.245 4.415 4.170 0.001 0.000 0.287 322 I C -2.214 173.982 176.117 0.132 0.000 1.023 322 I CA -2.185 59.212 61.300 0.162 0.000 1.083 322 I CB 2.845 40.914 38.000 0.117 0.000 1.245 322 I HN 0.279 nan 8.210 nan 0.000 0.434 323 P HA 0.090 nan 4.420 nan 0.000 0.266 323 P C -0.317 177.049 177.300 0.110 0.000 1.195 323 P CA -0.142 63.016 63.100 0.097 0.000 0.768 323 P CB 0.605 32.362 31.700 0.095 0.000 0.838 324 A N 2.839 125.735 122.820 0.127 0.000 2.386 324 A HA 0.409 4.730 4.320 0.001 0.000 0.246 324 A C 0.210 177.926 177.584 0.221 0.000 1.089 324 A CA 0.345 52.500 52.037 0.197 0.000 0.790 324 A CB -0.241 18.904 19.000 0.242 0.000 1.042 324 A HN 0.495 nan 8.150 nan 0.000 0.497 325 T N 1.472 116.061 114.554 0.058 0.000 2.823 325 T HA 0.380 4.730 4.350 0.001 0.000 0.279 325 T C 0.172 174.491 174.700 -0.635 0.000 0.998 325 T CA -0.506 61.409 62.100 -0.309 0.000 0.994 325 T CB 0.784 69.317 68.868 -0.559 0.000 0.960 325 T HN 0.598 nan 8.240 nan 0.000 0.448 326 R N 3.343 123.122 120.500 -1.201 0.000 2.296 326 R HA 0.235 4.576 4.340 0.001 0.000 0.323 326 R C 0.591 176.298 176.300 -0.989 0.000 1.067 326 R CA -0.051 55.043 56.100 -1.676 0.000 0.946 326 R CB 0.237 29.328 30.300 -2.016 0.000 0.991 326 R HN 0.488 nan 8.270 nan 0.000 0.448 327 V N 5.924 125.326 119.914 -0.852 0.000 2.379 327 V HA 0.019 4.139 4.120 0.001 0.000 0.243 327 V C 0.684 176.570 176.094 -0.347 0.000 1.035 327 V CA 1.136 63.083 62.300 -0.587 0.000 1.035 327 V CB -0.262 31.298 31.823 -0.438 0.000 0.673 327 V HN 0.762 nan 8.190 nan 0.000 0.457 328 W N -0.971 120.098 121.300 -0.384 0.000 3.075 328 W HA 0.745 5.405 4.660 0.001 0.000 0.334 328 W C -1.047 175.174 176.519 -0.497 0.000 1.243 328 W CA -0.908 56.177 57.345 -0.433 0.000 1.170 328 W CB 1.876 31.137 29.460 -0.332 0.000 1.452 328 W HN -0.184 nan 8.180 nan 0.000 0.572 329 R N 2.109 122.455 120.500 -0.256 0.000 2.508 329 R HA 0.378 4.719 4.340 0.001 0.000 0.283 329 R C -2.408 173.557 176.300 -0.559 0.000 1.120 329 R CA -0.440 55.499 56.100 -0.269 0.000 0.958 329 R CB 1.558 31.673 30.300 -0.309 0.000 1.215 329 R HN 0.700 nan 8.270 nan 0.000 0.427 330 Y N 2.813 123.123 120.300 0.017 0.000 2.499 330 Y HA 0.432 4.982 4.550 0.001 0.000 0.347 330 Y C -0.455 175.348 175.900 -0.163 0.000 0.987 330 Y CA -0.921 57.134 58.100 -0.076 0.000 1.044 330 Y CB 1.962 40.399 38.460 -0.038 0.000 1.245 330 Y HN 0.373 nan 8.280 nan 0.000 0.461 331 Y N 1.711 122.144 120.300 0.222 0.000 2.299 331 Y HA 0.493 5.043 4.550 0.001 0.000 0.326 331 Y C 0.317 176.298 175.900 0.134 0.000 1.164 331 Y CA -0.786 57.403 58.100 0.149 0.000 1.234 331 Y CB 1.082 39.603 38.460 0.103 0.000 1.219 331 Y HN 0.370 nan 8.280 nan 0.000 0.497 332 V N -0.954 119.120 119.914 0.268 0.000 2.919 332 V HA 0.443 4.564 4.120 0.001 0.000 0.316 332 V C 0.487 176.669 176.094 0.146 0.000 1.077 332 V CA -0.456 61.947 62.300 0.172 0.000 0.977 332 V CB 1.641 33.551 31.823 0.145 0.000 1.039 332 V HN 0.834 nan 8.190 nan 0.000 0.441 333 S N -0.226 115.533 115.700 0.099 0.000 2.489 333 S HA -0.022 4.449 4.470 0.001 0.000 0.228 333 S C 0.470 175.114 174.600 0.073 0.000 0.995 333 S CA 0.564 58.809 58.200 0.075 0.000 0.934 333 S CB -0.592 62.638 63.200 0.050 0.000 0.771 333 S HN 0.846 nan 8.310 nan 0.000 0.522 334 D N 3.975 124.424 120.400 0.082 0.000 2.441 334 D HA 0.138 4.778 4.640 0.001 0.000 0.243 334 D C 0.227 176.590 176.300 0.106 0.000 1.257 334 D CA 0.394 54.442 54.000 0.080 0.000 1.027 334 D CB 0.382 41.231 40.800 0.081 0.000 1.084 334 D HN 0.548 nan 8.370 nan 0.000 0.514 335 T N -0.961 113.647 114.554 0.091 0.000 2.929 335 T HA 0.385 4.736 4.350 0.001 0.000 0.284 335 T C 0.217 174.969 174.700 0.086 0.000 1.014 335 T CA -1.085 61.080 62.100 0.108 0.000 1.051 335 T CB 2.181 71.104 68.868 0.091 0.000 1.028 335 T HN 0.127 nan 8.240 nan 0.000 0.485 336 D N 0.454 120.925 120.400 0.119 0.000 2.440 336 D HA 0.082 4.722 4.640 0.001 0.000 0.269 336 D C 1.408 177.677 176.300 -0.052 0.000 1.249 336 D CA -0.707 53.324 54.000 0.052 0.000 1.055 336 D CB 0.204 41.094 40.800 0.150 0.000 1.104 336 D HN 0.778 nan 8.370 nan 0.000 0.561 337 E N -1.020 119.045 120.200 -0.225 0.000 2.396 337 E HA -0.242 4.108 4.350 0.001 0.000 0.200 337 E C 0.591 176.970 176.600 -0.369 0.000 1.023 337 E CA 1.082 57.259 56.400 -0.372 0.000 0.857 337 E CB -0.609 28.741 29.700 -0.583 0.000 0.775 337 E HN 0.647 nan 8.360 nan 0.000 0.525 338 Y N -0.280 120.048 120.300 0.047 0.000 2.584 338 Y HA 0.364 4.915 4.550 0.001 0.000 0.254 338 Y C 1.500 177.422 175.900 0.037 0.000 1.177 338 Y CA -0.287 57.835 58.100 0.037 0.000 1.216 338 Y CB 1.358 39.844 38.460 0.042 0.000 1.172 338 Y HN 0.176 nan 8.280 nan 0.000 0.529 339 G N 0.203 109.084 108.800 0.136 0.000 2.162 339 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 339 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 339 G C -0.056 174.915 174.900 0.118 0.000 0.976 339 G CA -0.171 44.988 45.100 0.100 0.000 0.655 339 G HN 0.231 nan 8.290 nan 0.000 0.533 340 Q N -0.055 119.845 119.800 0.168 0.000 2.230 340 Q HA 0.640 4.980 4.340 0.001 0.000 0.253 340 Q C 0.334 176.451 176.000 0.194 0.000 0.919 340 Q CA 0.349 56.258 55.803 0.176 0.000 0.908 340 Q CB 1.779 30.625 28.738 0.180 0.000 1.245 340 Q HN 1.194 nan 8.270 nan 0.000 0.437 341 G N 1.832 110.762 108.800 0.217 0.000 2.020 341 G HA2 0.394 4.354 3.960 0.001 0.000 0.304 341 G HA3 0.394 4.354 3.960 0.001 0.000 0.304 341 G C -1.231 173.822 174.900 0.254 0.000 1.500 341 G CA -0.699 44.530 45.100 0.216 0.000 1.120 341 G HN 0.544 nan 8.290 nan 0.000 0.555 342 E N 1.690 121.995 120.200 0.175 0.000 2.383 342 E HA 0.745 5.096 4.350 0.001 0.000 0.275 342 E C -0.711 175.957 176.600 0.113 0.000 0.918 342 E CA -1.274 55.176 56.400 0.084 0.000 0.764 342 E CB 2.573 32.198 29.700 -0.125 0.000 1.252 342 E HN 0.673 nan 8.360 nan 0.000 0.449 343 I N -1.308 119.357 120.570 0.159 0.000 2.530 343 I HA 0.548 4.718 4.170 0.001 0.000 0.297 343 I C -0.756 175.543 176.117 0.304 0.000 1.011 343 I CA -0.873 60.591 61.300 0.273 0.000 1.107 343 I CB 1.850 40.082 38.000 0.387 0.000 1.285 343 I HN 0.483 nan 8.210 nan 0.000 0.436 344 Q N 4.989 124.887 119.800 0.163 0.000 2.389 344 Q HA 0.581 4.922 4.340 0.001 0.000 0.277 344 Q C -1.392 174.315 176.000 -0.489 0.000 1.082 344 Q CA -0.875 54.862 55.803 -0.110 0.000 0.810 344 Q CB 3.425 32.231 28.738 0.113 0.000 1.374 344 Q HN 0.666 nan 8.270 nan 0.000 0.422 345 M N 1.856 120.787 119.600 -1.115 0.000 2.321 345 M HA 0.493 4.973 4.480 0.001 0.000 0.315 345 M C -2.116 173.842 176.300 -0.571 0.000 1.052 345 M CA -0.399 54.329 55.300 -0.954 0.000 0.936 345 M CB 1.245 32.810 32.600 -1.725 0.000 1.639 345 M HN 0.684 nan 8.290 nan 0.000 0.433 346 W N 1.982 123.051 121.300 -0.385 0.000 2.819 346 W HA 0.624 5.284 4.660 0.001 0.000 0.337 346 W C -0.419 175.994 176.519 -0.176 0.000 1.077 346 W CA -0.378 56.807 57.345 -0.267 0.000 1.226 346 W CB 1.936 31.297 29.460 -0.164 0.000 1.419 346 W HN 0.534 nan 8.180 nan 0.000 0.502 347 S N 1.079 116.817 115.700 0.063 0.000 2.570 347 S HA 0.922 5.392 4.470 0.001 0.000 0.286 347 S C -0.718 174.015 174.600 0.221 0.000 1.099 347 S CA -0.515 57.752 58.200 0.111 0.000 0.913 347 S CB 1.332 64.628 63.200 0.159 0.000 1.085 347 S HN 0.836 nan 8.310 nan 0.000 0.480 348 G N 3.046 111.926 108.800 0.132 0.000 2.755 348 G HA2 0.585 4.545 3.960 0.001 0.000 0.297 348 G HA3 0.585 4.545 3.960 0.001 0.000 0.297 348 G C -3.494 171.440 174.900 0.058 0.000 1.441 348 G CA -1.040 44.142 45.100 0.138 0.000 0.964 348 G HN 0.491 nan 8.290 nan 0.000 0.540 349 P HA 0.427 nan 4.420 nan 0.000 0.275 349 P C -0.507 176.826 177.300 0.056 0.000 1.228 349 P CA -0.281 62.857 63.100 0.064 0.000 0.786 349 P CB 1.769 33.510 31.700 0.068 0.000 0.927 350 L N 1.837 123.098 121.223 0.063 0.000 2.330 350 L HA 0.279 4.619 4.340 0.001 0.000 0.271 350 L C 1.774 178.682 176.870 0.063 0.000 1.013 350 L CA -0.481 54.385 54.840 0.043 0.000 0.816 350 L CB 1.297 43.371 42.059 0.024 0.000 1.287 350 L HN 0.283 nan 8.230 nan 0.000 0.435 351 D N 1.045 121.474 120.400 0.048 0.000 2.133 351 D HA -0.231 4.409 4.640 0.001 0.000 0.195 351 D C 1.474 177.813 176.300 0.066 0.000 0.997 351 D CA 1.812 55.846 54.000 0.056 0.000 0.840 351 D CB 0.221 41.050 40.800 0.049 0.000 0.947 351 D HN 0.662 nan 8.370 nan 0.000 0.452 352 N N -0.729 118.015 118.700 0.074 0.000 2.449 352 N HA 0.051 4.792 4.740 0.001 0.000 0.191 352 N C 1.295 176.863 175.510 0.098 0.000 1.161 352 N CA 1.085 54.186 53.050 0.085 0.000 0.863 352 N CB 0.292 38.843 38.487 0.107 0.000 0.980 352 N HN 0.320 nan 8.380 nan 0.000 0.458 353 G N -0.433 108.437 108.800 0.117 0.000 2.176 353 G HA2 -0.230 3.730 3.960 0.001 0.000 0.232 353 G HA3 -0.230 3.730 3.960 0.001 0.000 0.232 353 G C -0.410 174.654 174.900 0.275 0.000 0.986 353 G CA 0.135 45.331 45.100 0.160 0.000 0.643 353 G HN 0.460 nan 8.290 nan 0.000 0.522 354 D N -0.031 120.513 120.400 0.240 0.000 2.414 354 D HA 0.586 5.226 4.640 0.001 0.000 0.251 354 D C 0.517 176.948 176.300 0.218 0.000 1.252 354 D CA 0.348 54.526 54.000 0.297 0.000 0.999 354 D CB 0.674 41.601 40.800 0.210 0.000 1.093 354 D HN 0.338 nan 8.370 nan 0.000 0.515 355 Q N -0.067 119.823 119.800 0.149 0.000 2.305 355 Q HA 0.448 4.789 4.340 0.001 0.000 0.271 355 Q C -1.706 174.250 176.000 -0.072 0.000 1.046 355 Q CA -0.721 55.079 55.803 -0.005 0.000 0.798 355 Q CB 1.764 30.398 28.738 -0.173 0.000 1.286 355 Q HN 0.188 nan 8.270 nan 0.000 0.435 356 V N 2.682 122.533 119.914 -0.104 0.000 2.546 356 V HA 0.683 4.803 4.120 0.001 0.000 0.284 356 V C -0.268 175.741 176.094 -0.142 0.000 1.050 356 V CA -0.671 61.517 62.300 -0.187 0.000 0.981 356 V CB 1.221 32.914 31.823 -0.217 0.000 0.990 356 V HN 0.587 nan 8.190 nan 0.000 0.474 357 V N 2.990 122.813 119.914 -0.153 0.000 2.638 357 V HA 0.835 4.955 4.120 0.001 0.000 0.306 357 V C 0.037 176.134 176.094 0.005 0.000 1.052 357 V CA -0.411 61.868 62.300 -0.035 0.000 0.885 357 V CB 1.858 33.700 31.823 0.032 0.000 0.999 357 V HN 1.150 nan 8.190 nan 0.000 0.424 358 A N 5.514 128.401 122.820 0.113 0.000 2.335 358 A HA 0.881 5.201 4.320 0.001 0.000 0.304 358 A C -1.085 176.551 177.584 0.087 0.000 1.118 358 A CA -0.457 51.694 52.037 0.190 0.000 0.757 358 A CB 0.966 20.124 19.000 0.264 0.000 1.188 358 A HN 0.801 nan 8.150 nan 0.000 0.460 359 L N 3.108 124.366 121.223 0.057 0.000 2.277 359 L HA 0.406 4.746 4.340 0.001 0.000 0.284 359 L C -0.804 176.109 176.870 0.073 0.000 1.028 359 L CA -0.585 54.291 54.840 0.060 0.000 0.835 359 L CB 1.304 43.438 42.059 0.124 0.000 1.215 359 L HN 0.642 nan 8.230 nan 0.000 0.425 360 L N 4.582 125.852 121.223 0.077 0.000 2.276 360 L HA 0.417 4.758 4.340 0.001 0.000 0.286 360 L C -0.221 176.734 176.870 0.140 0.000 1.024 360 L CA -0.090 54.809 54.840 0.098 0.000 0.826 360 L CB 1.049 43.165 42.059 0.095 0.000 1.211 360 L HN 0.400 nan 8.230 nan 0.000 0.422 361 N N 3.164 121.946 118.700 0.137 0.000 2.558 361 N HA 0.337 5.077 4.740 0.001 0.000 0.233 361 N C 0.811 176.426 175.510 0.175 0.000 1.038 361 N CA 0.128 53.272 53.050 0.156 0.000 0.934 361 N CB 1.313 39.878 38.487 0.131 0.000 1.175 361 N HN 0.732 nan 8.380 nan 0.000 0.512 362 G N 1.249 110.158 108.800 0.181 0.000 3.088 362 G HA2 0.141 4.102 3.960 0.001 0.000 0.212 362 G HA3 0.141 4.102 3.960 0.001 0.000 0.212 362 G C 0.685 175.686 174.900 0.168 0.000 1.173 362 G CA -0.119 45.079 45.100 0.163 0.000 0.779 362 G HN 0.572 nan 8.290 nan 0.000 0.540 363 G N 0.022 108.947 108.800 0.209 0.000 2.599 363 G HA2 0.346 4.307 3.960 0.001 0.000 0.264 363 G HA3 0.346 4.307 3.960 0.001 0.000 0.264 363 G C 1.186 176.253 174.900 0.279 0.000 1.200 363 G CA 0.509 45.739 45.100 0.216 0.000 0.896 363 G HN 0.373 nan 8.290 nan 0.000 0.536 364 S N -1.557 114.262 115.700 0.198 0.000 2.562 364 S HA 0.197 4.668 4.470 0.001 0.000 0.221 364 S C 0.532 175.152 174.600 0.034 0.000 0.975 364 S CA -0.005 58.263 58.200 0.114 0.000 0.918 364 S CB 0.055 63.297 63.200 0.070 0.000 0.772 364 S HN 0.331 nan 8.310 nan 0.000 0.531 365 V N 1.204 121.154 119.914 0.060 0.000 2.823 365 V HA 0.537 4.658 4.120 0.001 0.000 0.312 365 V C 0.222 176.341 176.094 0.042 0.000 1.072 365 V CA -1.027 61.291 62.300 0.030 0.000 0.937 365 V CB 1.805 33.646 31.823 0.029 0.000 1.013 365 V HN 0.325 nan 8.190 nan 0.000 0.430 366 S N 3.592 119.305 115.700 0.021 0.000 2.552 366 S HA 0.373 4.843 4.470 0.001 0.000 0.289 366 S C -0.088 174.537 174.600 0.042 0.000 1.304 366 S CA -0.128 58.089 58.200 0.027 0.000 1.063 366 S CB -0.040 63.167 63.200 0.011 0.000 0.848 366 S HN 0.895 nan 8.310 nan 0.000 0.499 367 R N 3.721 124.255 120.500 0.057 0.000 2.707 367 R HA 0.589 4.929 4.340 0.001 0.000 0.272 367 R C -3.334 173.011 176.300 0.075 0.000 1.011 367 R CA -2.114 54.024 56.100 0.064 0.000 0.893 367 R CB 1.202 31.549 30.300 0.077 0.000 1.233 367 R HN 0.347 nan 8.270 nan 0.000 0.464 368 P HA 0.166 nan 4.420 nan 0.000 0.276 368 P C -0.847 176.517 177.300 0.105 0.000 1.230 368 P CA -0.035 63.113 63.100 0.081 0.000 0.776 368 P CB 0.858 32.594 31.700 0.060 0.000 0.888 369 M N 3.053 122.736 119.600 0.140 0.000 2.530 369 M HA 0.386 4.866 4.480 0.001 0.000 0.307 369 M C 0.142 176.562 176.300 0.200 0.000 1.161 369 M CA -0.587 54.830 55.300 0.194 0.000 0.903 369 M CB 2.713 35.459 32.600 0.243 0.000 1.711 369 M HN 0.376 nan 8.290 nan 0.000 0.451 370 N N 0.456 119.291 118.700 0.225 0.000 2.357 370 N HA 0.658 5.398 4.740 0.001 0.000 0.284 370 N C -1.680 173.993 175.510 0.273 0.000 1.236 370 N CA -0.393 52.776 53.050 0.199 0.000 0.774 370 N CB 2.949 41.506 38.487 0.116 0.000 1.534 370 N HN 0.638 nan 8.380 nan 0.000 0.478 371 T N -0.853 113.835 114.554 0.225 0.000 2.769 371 T HA 0.564 4.914 4.350 0.001 0.000 0.306 371 T C -1.149 173.641 174.700 0.150 0.000 1.400 371 T CA -0.286 61.958 62.100 0.240 0.000 1.007 371 T CB 1.245 70.278 68.868 0.274 0.000 1.392 371 T HN 0.874 nan 8.240 nan 0.000 0.500 372 T N 0.335 114.971 114.554 0.138 0.000 2.905 372 T HA 0.593 4.943 4.350 0.001 0.000 0.283 372 T C 1.468 176.219 174.700 0.085 0.000 1.031 372 T CA -0.912 61.251 62.100 0.104 0.000 1.002 372 T CB 0.813 69.741 68.868 0.100 0.000 1.200 372 T HN 0.447 nan 8.240 nan 0.000 0.560 373 L N 0.195 121.479 121.223 0.101 0.000 2.093 373 L HA -0.021 4.319 4.340 0.001 0.000 0.208 373 L C 2.961 179.930 176.870 0.165 0.000 1.085 373 L CA 1.375 56.298 54.840 0.138 0.000 0.755 373 L CB -0.551 41.634 42.059 0.211 0.000 0.904 373 L HN 0.803 nan 8.230 nan 0.000 0.435 374 E N 0.058 120.342 120.200 0.140 0.000 2.085 374 E HA -0.257 4.093 4.350 0.001 0.000 0.194 374 E C 2.036 178.720 176.600 0.140 0.000 0.994 374 E CA 1.407 57.889 56.400 0.135 0.000 0.801 374 E CB -0.038 29.728 29.700 0.111 0.000 0.743 374 E HN 0.550 nan 8.360 nan 0.000 0.453 375 E N 0.342 120.625 120.200 0.138 0.000 2.107 375 E HA -0.123 4.227 4.350 0.001 0.000 0.191 375 E C 2.164 178.836 176.600 0.119 0.000 0.982 375 E CA 0.575 57.081 56.400 0.176 0.000 0.809 375 E CB 0.010 29.863 29.700 0.255 0.000 0.756 375 E HN 0.261 nan 8.360 nan 0.000 0.459 376 I N 0.179 120.728 120.570 -0.035 0.000 2.202 376 I HA -0.204 3.966 4.170 0.001 0.000 0.242 376 I C 0.662 176.483 176.117 -0.494 0.000 1.091 376 I CA 0.962 62.075 61.300 -0.313 0.000 1.368 376 I CB 0.057 37.689 38.000 -0.613 0.000 1.058 376 I HN -0.038 nan 8.210 nan 0.000 0.410 377 F N 1.503 121.374 119.950 -0.132 0.000 2.509 377 F HA 0.150 4.678 4.527 0.001 0.000 0.344 377 F C 1.079 176.737 175.800 -0.236 0.000 1.197 377 F CA -0.697 57.127 58.000 -0.293 0.000 1.294 377 F CB -0.338 38.506 39.000 -0.259 0.000 1.643 377 F HN -0.004 nan 8.300 nan 0.000 0.596 378 F N -1.656 118.316 119.950 0.037 0.000 2.293 378 F HA -0.046 4.482 4.527 0.001 0.000 0.300 378 F C 1.021 176.846 175.800 0.043 0.000 1.086 378 F CA 0.742 58.757 58.000 0.025 0.000 1.375 378 F CB -0.449 38.534 39.000 -0.028 0.000 1.045 378 F HN 0.067 nan 8.300 nan 0.000 0.516 379 D N 0.099 120.385 120.400 -0.190 0.000 2.463 379 D HA 0.163 4.803 4.640 0.001 0.000 0.224 379 D C -0.222 176.053 176.300 -0.043 0.000 1.174 379 D CA 0.160 54.136 54.000 -0.040 0.000 0.829 379 D CB 0.409 41.177 40.800 -0.054 0.000 0.993 379 D HN 0.104 nan 8.370 nan 0.000 0.497 380 S N 0.905 116.593 115.700 -0.021 0.000 2.451 380 S HA 0.313 4.783 4.470 0.001 0.000 0.301 380 S C 0.325 174.942 174.600 0.028 0.000 1.116 380 S CA -0.879 57.321 58.200 0.000 0.000 1.093 380 S CB 1.477 64.677 63.200 0.001 0.000 1.017 380 S HN 0.098 nan 8.310 nan 0.000 0.482 381 N N 1.812 120.524 118.700 0.019 0.000 2.444 381 N HA 0.221 4.961 4.740 0.001 0.000 0.255 381 N C -0.153 175.374 175.510 0.029 0.000 1.255 381 N CA -0.267 52.799 53.050 0.027 0.000 0.933 381 N CB 0.375 38.874 38.487 0.019 0.000 1.143 381 N HN 0.491 nan 8.380 nan 0.000 0.453 382 L N 0.491 121.734 121.223 0.034 0.000 2.525 382 L HA 0.049 4.390 4.340 0.001 0.000 0.278 382 L C 1.666 178.551 176.870 0.025 0.000 1.218 382 L CA 0.468 55.329 54.840 0.034 0.000 0.878 382 L CB -0.047 42.032 42.059 0.034 0.000 1.127 382 L HN 0.885 nan 8.230 nan 0.000 0.492 383 G N 1.460 110.276 108.800 0.026 0.000 2.184 383 G HA2 -0.317 3.644 3.960 0.001 0.000 0.264 383 G HA3 -0.317 3.644 3.960 0.001 0.000 0.264 383 G C 0.374 175.280 174.900 0.010 0.000 0.975 383 G CA 0.377 45.488 45.100 0.018 0.000 0.642 383 G HN 0.808 nan 8.290 nan 0.000 0.536 384 S N -0.341 115.364 115.700 0.008 0.000 2.600 384 S HA 0.507 4.977 4.470 0.001 0.000 0.265 384 S C 1.426 176.019 174.600 -0.011 0.000 1.325 384 S CA 0.510 58.707 58.200 -0.006 0.000 1.002 384 S CB 1.453 64.646 63.200 -0.012 0.000 0.921 384 S HN 0.399 nan 8.310 nan 0.000 0.554 385 K N 1.266 121.651 120.400 -0.025 0.000 2.020 385 K HA -0.177 4.143 4.320 0.001 0.000 0.212 385 K C 2.196 178.784 176.600 -0.020 0.000 1.050 385 K CA 1.935 58.202 56.287 -0.033 0.000 0.929 385 K CB -0.359 32.112 32.500 -0.049 0.000 0.714 385 K HN 0.601 nan 8.250 nan 0.000 0.443 386 K N 0.701 121.071 120.400 -0.050 0.000 2.103 386 K HA -0.111 4.209 4.320 0.001 0.000 0.207 386 K C 2.022 178.615 176.600 -0.013 0.000 1.048 386 K CA 1.106 57.336 56.287 -0.095 0.000 0.930 386 K CB -0.078 32.088 32.500 -0.556 0.000 0.716 386 K HN 0.147 nan 8.250 nan 0.000 0.444 387 L N 0.150 121.374 121.223 0.001 0.000 2.418 387 L HA -0.040 4.300 4.340 0.001 0.000 0.218 387 L C 1.487 178.422 176.870 0.107 0.000 1.125 387 L CA 0.822 55.713 54.840 0.085 0.000 0.835 387 L CB -0.069 42.032 42.059 0.069 0.000 0.953 387 L HN 0.190 nan 8.230 nan 0.000 0.454 388 T N -1.981 112.618 114.554 0.076 0.000 3.014 388 T HA 0.103 4.454 4.350 0.001 0.000 0.250 388 T C 1.038 175.765 174.700 0.046 0.000 1.060 388 T CA -0.043 62.090 62.100 0.053 0.000 1.040 388 T CB 0.361 69.242 68.868 0.021 0.000 0.971 388 T HN 0.078 nan 8.240 nan 0.000 0.497 389 S N 1.628 117.357 115.700 0.048 0.000 2.645 389 S HA 0.439 4.909 4.470 0.001 0.000 0.266 389 S C 0.290 174.905 174.600 0.025 0.000 1.258 389 S CA -0.484 57.683 58.200 -0.056 0.000 0.990 389 S CB 0.853 63.892 63.200 -0.269 0.000 0.967 389 S HN 0.189 nan 8.310 nan 0.000 0.556 390 T N 1.469 115.965 114.554 -0.096 0.000 2.867 390 T HA 0.446 4.797 4.350 0.001 0.000 0.282 390 T C -1.173 173.458 174.700 -0.115 0.000 1.000 390 T CA -0.247 61.866 62.100 0.022 0.000 1.042 390 T CB 0.334 69.207 68.868 0.008 0.000 0.973 390 T HN 0.515 nan 8.240 nan 0.000 0.465 391 W N 1.412 122.747 121.300 0.060 0.000 2.702 391 W HA 0.427 5.088 4.660 0.001 0.000 0.331 391 W C -0.434 176.129 176.519 0.074 0.000 1.049 391 W CA -0.846 56.553 57.345 0.090 0.000 1.230 391 W CB 0.932 30.491 29.460 0.164 0.000 1.408 391 W HN 0.453 nan 8.180 nan 0.000 0.492 392 D N 2.613 123.192 120.400 0.297 0.000 2.304 392 D HA 0.336 4.977 4.640 0.001 0.000 0.250 392 D C -0.263 176.195 176.300 0.262 0.000 1.107 392 D CA -0.053 54.069 54.000 0.204 0.000 0.885 392 D CB 1.242 42.169 40.800 0.211 0.000 1.192 392 D HN 0.159 nan 8.370 nan 0.000 0.436 393 I N 2.576 123.180 120.570 0.056 0.000 2.321 393 I HA 0.178 4.348 4.170 0.001 0.000 0.291 393 I C -0.653 175.432 176.117 -0.054 0.000 0.998 393 I CA -0.711 60.593 61.300 0.007 0.000 1.227 393 I CB 0.597 38.468 38.000 -0.215 0.000 1.368 393 I HN 0.140 nan 8.210 nan 0.000 0.466 394 Y N 3.760 124.098 120.300 0.064 0.000 2.328 394 Y HA 0.243 4.794 4.550 0.001 0.000 0.337 394 Y C 0.158 176.191 175.900 0.222 0.000 0.966 394 Y CA -0.971 57.203 58.100 0.125 0.000 1.136 394 Y CB 1.113 39.665 38.460 0.154 0.000 1.170 394 Y HN 0.449 nan 8.280 nan 0.000 0.470 395 D N 3.906 124.516 120.400 0.349 0.000 2.338 395 D HA 0.080 4.721 4.640 0.001 0.000 0.255 395 D C 0.660 177.129 176.300 0.281 0.000 1.237 395 D CA 0.353 54.601 54.000 0.413 0.000 0.883 395 D CB 0.921 41.935 40.800 0.356 0.000 1.087 395 D HN 0.677 nan 8.370 nan 0.000 0.485 396 L N 2.857 124.190 121.223 0.183 0.000 2.362 396 L HA -0.022 4.318 4.340 0.001 0.000 0.219 396 L C 1.355 178.163 176.870 -0.105 0.000 1.134 396 L CA 0.532 55.362 54.840 -0.016 0.000 0.807 396 L CB -0.044 41.905 42.059 -0.183 0.000 0.927 396 L HN 0.527 nan 8.230 nan 0.000 0.447 397 W N -0.272 121.127 121.300 0.164 0.000 3.278 397 W HA 0.312 4.972 4.660 0.001 0.000 0.308 397 W C 1.294 177.873 176.519 0.100 0.000 1.253 397 W CA -0.511 56.907 57.345 0.122 0.000 1.759 397 W CB 0.202 29.720 29.460 0.097 0.000 1.093 397 W HN -0.070 nan 8.180 nan 0.000 0.648 398 A N 1.083 124.075 122.820 0.287 0.000 2.366 398 A HA 0.175 4.495 4.320 0.001 0.000 0.249 398 A C 0.890 178.579 177.584 0.175 0.000 1.084 398 A CA -0.031 52.135 52.037 0.214 0.000 0.794 398 A CB 0.012 19.121 19.000 0.181 0.000 1.034 398 A HN 0.418 nan 8.150 nan 0.000 0.491 399 N N -1.124 117.665 118.700 0.147 0.000 2.747 399 N HA -0.177 4.563 4.740 0.001 0.000 0.249 399 N C -0.032 175.554 175.510 0.127 0.000 1.107 399 N CA 1.544 54.668 53.050 0.123 0.000 0.707 399 N CB -1.244 37.311 38.487 0.114 0.000 1.054 399 N HN 0.961 nan 8.380 nan 0.000 0.555 400 R N -0.949 119.646 120.500 0.159 0.000 2.539 400 R HA 0.467 4.807 4.340 0.001 0.000 0.275 400 R C 0.081 176.448 176.300 0.112 0.000 1.077 400 R CA -0.571 55.628 56.100 0.165 0.000 1.097 400 R CB 0.714 31.175 30.300 0.268 0.000 1.018 400 R HN -0.094 nan 8.270 nan 0.000 0.483 401 V N 4.363 124.330 119.914 0.087 0.000 2.539 401 V HA -0.105 4.015 4.120 0.001 0.000 0.300 401 V C 0.194 176.333 176.094 0.075 0.000 1.019 401 V CA 0.543 62.888 62.300 0.075 0.000 1.160 401 V CB -0.686 31.172 31.823 0.058 0.000 0.901 401 V HN 1.012 nan 8.190 nan 0.000 0.481 402 D N 4.248 124.691 120.400 0.070 0.000 2.371 402 D HA 0.060 4.700 4.640 0.001 0.000 0.242 402 D C 0.893 177.227 176.300 0.058 0.000 1.218 402 D CA -0.558 53.475 54.000 0.057 0.000 0.945 402 D CB 0.379 41.208 40.800 0.048 0.000 1.137 402 D HN 0.277 nan 8.370 nan 0.000 0.464 403 N N -0.154 118.570 118.700 0.040 0.000 2.289 403 N HA -0.126 4.614 4.740 0.001 0.000 0.184 403 N C 1.443 176.977 175.510 0.039 0.000 1.016 403 N CA 0.800 53.872 53.050 0.037 0.000 0.872 403 N CB -0.238 38.258 38.487 0.015 0.000 0.973 403 N HN 0.365 nan 8.380 nan 0.000 0.433 404 S N -0.326 115.396 115.700 0.036 0.000 2.362 404 S HA -0.029 4.442 4.470 0.001 0.000 0.221 404 S C 1.975 176.599 174.600 0.041 0.000 1.032 404 S CA 1.183 59.402 58.200 0.031 0.000 0.973 404 S CB -0.352 62.863 63.200 0.026 0.000 0.849 404 S HN 0.395 nan 8.310 nan 0.000 0.465 405 T N 2.740 117.328 114.554 0.056 0.000 2.708 405 T HA -0.049 4.302 4.350 0.001 0.000 0.266 405 T C 2.173 176.931 174.700 0.098 0.000 1.037 405 T CA 1.279 63.421 62.100 0.070 0.000 1.146 405 T CB -0.620 68.295 68.868 0.079 0.000 0.865 405 T HN 0.432 nan 8.240 nan 0.000 0.435 406 A N 1.555 124.457 122.820 0.137 0.000 1.883 406 A HA -0.144 4.176 4.320 0.001 0.000 0.217 406 A C 2.643 180.275 177.584 0.080 0.000 1.186 406 A CA 2.141 54.312 52.037 0.223 0.000 0.624 406 A CB -1.093 18.084 19.000 0.295 0.000 0.822 406 A HN 0.432 nan 8.150 nan 0.000 0.444 407 S N -0.325 115.402 115.700 0.045 0.000 2.359 407 S HA -0.118 4.352 4.470 0.001 0.000 0.224 407 S C 2.317 176.904 174.600 -0.022 0.000 1.035 407 S CA 1.388 59.587 58.200 -0.003 0.000 1.018 407 S CB -0.532 62.670 63.200 0.004 0.000 0.876 407 S HN 0.835 nan 8.310 nan 0.000 0.448 408 A N 1.278 124.098 122.820 -0.000 0.000 1.877 408 A HA -0.074 4.247 4.320 0.001 0.000 0.216 408 A C 2.075 179.645 177.584 -0.022 0.000 1.186 408 A CA 1.388 53.422 52.037 -0.005 0.000 0.620 408 A CB -0.730 18.278 19.000 0.013 0.000 0.822 408 A HN 0.507 nan 8.150 nan 0.000 0.443 409 I N -0.458 120.101 120.570 -0.017 0.000 2.202 409 I HA -0.245 3.926 4.170 0.001 0.000 0.242 409 I C 2.340 178.365 176.117 -0.154 0.000 1.091 409 I CA 1.096 62.368 61.300 -0.047 0.000 1.368 409 I CB -0.380 37.640 38.000 0.033 0.000 1.058 409 I HN 0.258 nan 8.210 nan 0.000 0.410 410 L N 0.467 121.549 121.223 -0.236 0.000 2.083 410 L HA -0.102 4.239 4.340 0.001 0.000 0.209 410 L C 2.311 179.093 176.870 -0.147 0.000 1.083 410 L CA 1.356 56.035 54.840 -0.269 0.000 0.752 410 L CB -0.850 41.039 42.059 -0.283 0.000 0.899 410 L HN 0.326 nan 8.230 nan 0.000 0.433 411 G N -1.188 107.553 108.800 -0.097 0.000 3.124 411 G HA2 0.019 3.979 3.960 0.001 0.000 0.212 411 G HA3 0.019 3.979 3.960 0.001 0.000 0.212 411 G C 0.920 175.789 174.900 -0.053 0.000 1.181 411 G CA -0.182 44.880 45.100 -0.064 0.000 0.803 411 G HN 0.362 nan 8.290 nan 0.000 0.529 412 R N -1.367 119.096 120.500 -0.062 0.000 3.977 412 R HA -0.216 4.125 4.340 0.001 0.000 0.428 412 R C 1.498 177.782 176.300 -0.028 0.000 1.079 412 R CA 1.067 57.140 56.100 -0.046 0.000 1.269 412 R CB -1.513 28.762 30.300 -0.043 0.000 1.856 412 R HN 0.355 nan 8.270 nan 0.000 0.551 413 N N 0.742 119.428 118.700 -0.024 0.000 2.120 413 N HA -0.072 4.669 4.740 0.001 0.000 0.188 413 N C 0.488 175.995 175.510 -0.005 0.000 1.024 413 N CA 1.341 54.384 53.050 -0.012 0.000 0.852 413 N CB 0.099 38.581 38.487 -0.009 0.000 1.003 413 N HN 0.394 nan 8.380 nan 0.000 0.424 414 K N 0.254 120.653 120.400 -0.002 0.000 2.238 414 K HA 0.299 4.619 4.320 0.001 0.000 0.239 414 K C -0.197 176.410 176.600 0.011 0.000 0.987 414 K CA -0.538 55.755 56.287 0.010 0.000 0.857 414 K CB 1.734 34.248 32.500 0.023 0.000 1.154 414 K HN 0.024 nan 8.250 nan 0.000 0.439 415 T N -1.973 112.593 114.554 0.019 0.000 2.928 415 T HA 0.357 4.707 4.350 0.001 0.000 0.284 415 T C 0.993 175.722 174.700 0.049 0.000 1.008 415 T CA -0.758 61.357 62.100 0.024 0.000 1.057 415 T CB 1.692 70.570 68.868 0.016 0.000 1.018 415 T HN 0.570 nan 8.240 nan 0.000 0.493 416 A N 1.826 124.686 122.820 0.066 0.000 2.014 416 A HA 0.167 4.487 4.320 0.001 0.000 0.218 416 A C 1.410 179.034 177.584 0.067 0.000 1.163 416 A CA 0.397 52.495 52.037 0.101 0.000 0.652 416 A CB -1.110 17.975 19.000 0.143 0.000 0.808 416 A HN 0.883 nan 8.150 nan 0.000 0.449 417 T N 0.327 114.904 114.554 0.039 0.000 2.866 417 T HA 0.362 4.713 4.350 0.001 0.000 0.293 417 T C 1.457 176.169 174.700 0.020 0.000 1.005 417 T CA 1.055 63.165 62.100 0.017 0.000 1.162 417 T CB 0.447 69.317 68.868 0.003 0.000 0.968 417 T HN 1.399 nan 8.240 nan 0.000 0.530 418 G N 2.529 111.336 108.800 0.011 0.000 2.267 418 G HA2 -0.279 3.682 3.960 0.001 0.000 0.257 418 G HA3 -0.279 3.682 3.960 0.001 0.000 0.257 418 G C 0.810 175.732 174.900 0.038 0.000 0.998 418 G CA 0.447 45.558 45.100 0.017 0.000 0.620 418 G HN 0.689 nan 8.290 nan 0.000 0.529 419 I N 0.272 120.874 120.570 0.052 0.000 2.899 419 I HA 0.319 4.490 4.170 0.001 0.000 0.257 419 I C 1.226 177.394 176.117 0.085 0.000 1.115 419 I CA 0.201 61.543 61.300 0.071 0.000 1.451 419 I CB -0.037 38.012 38.000 0.081 0.000 1.251 419 I HN 0.003 nan 8.210 nan 0.000 0.456 420 L N 0.816 122.092 121.223 0.088 0.000 2.326 420 L HA 0.199 4.539 4.340 0.001 0.000 0.278 420 L C -0.326 176.618 176.870 0.122 0.000 1.092 420 L CA -0.600 54.306 54.840 0.111 0.000 0.810 420 L CB 0.504 42.628 42.059 0.108 0.000 1.153 420 L HN 0.117 nan 8.230 nan 0.000 0.439 421 Y N 3.438 123.762 120.300 0.040 0.000 2.712 421 Y HA -0.085 4.466 4.550 0.001 0.000 0.333 421 Y C 0.499 176.389 175.900 -0.016 0.000 1.225 421 Y CA 0.322 58.431 58.100 0.015 0.000 1.499 421 Y CB 0.336 38.818 38.460 0.037 0.000 1.288 421 Y HN 0.523 nan 8.280 nan 0.000 0.575 422 N N 4.862 123.232 118.700 -0.551 0.000 2.501 422 N HA 0.267 5.008 4.740 0.001 0.000 0.245 422 N C -0.004 175.159 175.510 -0.577 0.000 0.974 422 N CA 0.390 53.205 53.050 -0.392 0.000 0.941 422 N CB 1.358 39.674 38.487 -0.285 0.000 1.122 422 N HN 0.869 nan 8.380 nan 0.000 0.507 423 A N 2.681 125.322 122.820 -0.298 0.000 2.016 423 A HA -0.020 4.301 4.320 0.001 0.000 0.217 423 A C 1.765 179.224 177.584 -0.208 0.000 1.162 423 A CA 1.173 53.027 52.037 -0.306 0.000 0.662 423 A CB -0.295 18.490 19.000 -0.360 0.000 0.812 423 A HN 0.642 nan 8.150 nan 0.000 0.450 424 T N -0.307 114.152 114.554 -0.157 0.000 2.746 424 T HA -0.151 4.199 4.350 0.001 0.000 0.267 424 T C 1.792 176.414 174.700 -0.130 0.000 1.039 424 T CA 1.574 63.602 62.100 -0.120 0.000 1.142 424 T CB -0.146 68.657 68.868 -0.108 0.000 0.866 424 T HN 0.700 nan 8.240 nan 0.000 0.444 425 E N 0.558 120.654 120.200 -0.175 0.000 2.152 425 E HA -0.024 4.326 4.350 0.001 0.000 0.192 425 E C 1.016 177.517 176.600 -0.165 0.000 0.983 425 E CA 0.550 56.850 56.400 -0.166 0.000 0.818 425 E CB 0.308 29.890 29.700 -0.196 0.000 0.758 425 E HN 0.409 nan 8.360 nan 0.000 0.467 426 Q N 0.789 120.457 119.800 -0.220 0.000 2.406 426 Q HA 0.116 4.456 4.340 0.001 0.000 0.244 426 Q C -1.236 174.692 176.000 -0.120 0.000 0.884 426 Q CA -0.445 55.267 55.803 -0.152 0.000 0.813 426 Q CB 1.292 29.933 28.738 -0.162 0.000 1.368 426 Q HN 0.191 nan 8.270 nan 0.000 0.439 427 S N 2.483 118.144 115.700 -0.066 0.000 2.559 427 S HA -0.023 4.447 4.470 0.001 0.000 0.282 427 S C 0.720 175.313 174.600 -0.012 0.000 1.336 427 S CA 0.107 58.277 58.200 -0.050 0.000 1.037 427 S CB 0.293 63.503 63.200 0.016 0.000 0.853 427 S HN 0.646 nan 8.310 nan 0.000 0.523 428 Y N 1.798 122.156 120.300 0.097 0.000 2.165 428 Y HA -0.153 4.397 4.550 0.001 0.000 0.286 428 Y C 2.642 178.530 175.900 -0.021 0.000 1.155 428 Y CA 1.995 60.092 58.100 -0.004 0.000 1.164 428 Y CB -0.337 38.066 38.460 -0.095 0.000 0.978 428 Y HN 0.748 nan 8.280 nan 0.000 0.513 429 K N 0.483 120.969 120.400 0.142 0.000 2.020 429 K HA -0.247 4.073 4.320 0.001 0.000 0.212 429 K C 1.432 178.081 176.600 0.083 0.000 1.050 429 K CA 2.259 58.600 56.287 0.089 0.000 0.929 429 K CB -0.224 32.323 32.500 0.078 0.000 0.714 429 K HN 0.222 nan 8.250 nan 0.000 0.443 430 D N -0.489 119.958 120.400 0.079 0.000 2.092 430 D HA -0.141 4.500 4.640 0.001 0.000 0.193 430 D C 1.820 178.182 176.300 0.104 0.000 0.994 430 D CA 1.589 55.634 54.000 0.075 0.000 0.828 430 D CB -0.683 40.148 40.800 0.053 0.000 0.963 430 D HN 0.475 nan 8.370 nan 0.000 0.450 431 G N 0.381 109.263 108.800 0.136 0.000 2.469 431 G HA2 -0.235 3.725 3.960 0.001 0.000 0.220 431 G HA3 -0.235 3.725 3.960 0.001 0.000 0.220 431 G C 1.658 176.660 174.900 0.170 0.000 1.136 431 G CA 0.612 45.819 45.100 0.178 0.000 0.759 431 G HN 0.255 nan 8.290 nan 0.000 0.562 432 L N 0.743 122.037 121.223 0.119 0.000 2.056 432 L HA -0.056 4.285 4.340 0.001 0.000 0.207 432 L C 3.202 180.232 176.870 0.266 0.000 1.078 432 L CA 1.232 56.185 54.840 0.188 0.000 0.749 432 L CB -0.372 41.708 42.059 0.036 0.000 0.901 432 L HN 0.164 nan 8.230 nan 0.000 0.433 433 S N -0.139 115.652 115.700 0.152 0.000 2.368 433 S HA -0.162 4.308 4.470 0.001 0.000 0.225 433 S C 1.853 176.511 174.600 0.097 0.000 1.030 433 S CA 1.204 59.469 58.200 0.108 0.000 0.999 433 S CB -0.190 63.056 63.200 0.076 0.000 0.844 433 S HN 0.359 nan 8.310 nan 0.000 0.459 434 K N 0.996 121.462 120.400 0.110 0.000 2.439 434 K HA 0.078 4.399 4.320 0.001 0.000 0.197 434 K C 0.239 176.897 176.600 0.097 0.000 1.041 434 K CA 0.209 56.550 56.287 0.090 0.000 0.970 434 K CB -0.107 32.448 32.500 0.091 0.000 0.773 434 K HN 0.188 nan 8.250 nan 0.000 0.479 435 N N 2.081 120.879 118.700 0.163 0.000 2.815 435 N HA -0.162 4.578 4.740 0.001 0.000 0.248 435 N C -1.152 174.464 175.510 0.177 0.000 1.110 435 N CA 0.440 53.551 53.050 0.102 0.000 0.699 435 N CB -1.262 37.165 38.487 -0.099 0.000 1.040 435 N HN 0.228 nan 8.380 nan 0.000 0.555 436 D N 0.253 120.832 120.400 0.299 0.000 2.412 436 D HA 0.080 4.720 4.640 0.001 0.000 0.257 436 D C 1.099 177.594 176.300 0.326 0.000 1.217 436 D CA 0.587 54.741 54.000 0.257 0.000 0.897 436 D CB 0.672 41.620 40.800 0.247 0.000 1.132 436 D HN 0.252 nan 8.370 nan 0.000 0.493 437 T N 4.502 119.194 114.554 0.231 0.000 2.822 437 T HA -0.182 4.169 4.350 0.001 0.000 0.270 437 T C 1.801 176.626 174.700 0.209 0.000 1.064 437 T CA 0.676 62.917 62.100 0.235 0.000 1.131 437 T CB 0.116 69.085 68.868 0.169 0.000 0.858 437 T HN 0.381 nan 8.240 nan 0.000 0.483 438 R N 0.871 121.474 120.500 0.172 0.000 2.139 438 R HA 0.025 4.366 4.340 0.001 0.000 0.243 438 R C 2.044 178.342 176.300 -0.003 0.000 1.145 438 R CA 1.011 57.182 56.100 0.118 0.000 0.976 438 R CB -0.720 29.701 30.300 0.202 0.000 0.866 438 R HN 0.439 nan 8.270 nan 0.000 0.449 439 L N -1.697 119.497 121.223 -0.049 0.000 2.664 439 L HA 0.191 4.531 4.340 0.001 0.000 0.233 439 L C 0.944 177.561 176.870 -0.422 0.000 1.113 439 L CA 0.016 54.678 54.840 -0.296 0.000 0.896 439 L CB 0.128 41.930 42.059 -0.429 0.000 1.163 439 L HN -0.016 nan 8.230 nan 0.000 0.497 440 F N -0.052 119.847 119.950 -0.084 0.000 2.706 440 F HA 0.391 4.919 4.527 0.001 0.000 0.308 440 F C 1.679 177.501 175.800 0.036 0.000 1.095 440 F CA 0.355 58.277 58.000 -0.130 0.000 1.244 440 F CB 0.449 39.281 39.000 -0.281 0.000 1.063 440 F HN 0.094 nan 8.300 nan 0.000 0.582 441 G N 0.840 109.767 108.800 0.213 0.000 2.562 441 G HA2 -0.301 3.659 3.960 0.001 0.000 0.250 441 G HA3 -0.301 3.659 3.960 0.001 0.000 0.250 441 G C -0.578 174.523 174.900 0.335 0.000 1.269 441 G CA -0.402 44.837 45.100 0.231 0.000 0.919 441 G HN 0.300 nan 8.290 nan 0.000 0.574 442 Q N -0.098 119.868 119.800 0.275 0.000 2.333 442 Q HA 0.594 4.934 4.340 0.001 0.000 0.267 442 Q C 0.042 176.034 176.000 -0.015 0.000 1.012 442 Q CA -0.545 55.357 55.803 0.165 0.000 0.824 442 Q CB 1.287 30.091 28.738 0.110 0.000 1.290 442 Q HN 0.700 nan 8.270 nan 0.000 0.449 443 K N 4.463 124.665 120.400 -0.330 0.000 2.412 443 K HA 0.084 4.404 4.320 0.001 0.000 0.284 443 K C 0.276 176.708 176.600 -0.279 0.000 1.046 443 K CA 0.235 56.107 56.287 -0.691 0.000 0.999 443 K CB 0.079 32.108 32.500 -0.784 0.000 0.941 443 K HN 0.831 nan 8.250 nan 0.000 0.474 444 I N 0.732 121.171 120.570 -0.219 0.000 4.082 444 I HA 0.419 4.590 4.170 0.001 0.000 0.337 444 I C 0.500 176.553 176.117 -0.107 0.000 1.352 444 I CA -0.373 60.864 61.300 -0.105 0.000 1.097 444 I CB 0.711 38.690 38.000 -0.034 0.000 1.048 444 I HN 0.751 nan 8.210 nan 0.000 0.393 445 G N 1.320 110.033 108.800 -0.145 0.000 2.350 445 G HA2 0.331 4.292 3.960 0.001 0.000 0.276 445 G HA3 0.331 4.292 3.960 0.001 0.000 0.276 445 G C -1.307 173.543 174.900 -0.084 0.000 1.313 445 G CA -0.062 44.979 45.100 -0.098 0.000 0.903 445 G HN 0.525 nan 8.290 nan 0.000 0.490 446 S N -1.288 114.391 115.700 -0.034 0.000 2.588 446 S HA 0.821 5.291 4.470 0.001 0.000 0.275 446 S C -1.121 173.507 174.600 0.046 0.000 1.130 446 S CA -0.813 57.400 58.200 0.020 0.000 0.855 446 S CB 2.180 65.397 63.200 0.028 0.000 1.116 446 S HN 1.199 nan 8.310 nan 0.000 0.472 447 L N 1.781 123.073 121.223 0.114 0.000 2.333 447 L HA 0.670 5.010 4.340 0.001 0.000 0.280 447 L C -0.702 176.276 176.870 0.180 0.000 1.004 447 L CA -0.284 54.632 54.840 0.127 0.000 0.820 447 L CB 2.013 44.149 42.059 0.128 0.000 1.247 447 L HN 0.897 nan 8.230 nan 0.000 0.416 448 S N 4.305 120.084 115.700 0.131 0.000 2.607 448 S HA 0.584 5.055 4.470 0.001 0.000 0.303 448 S C -2.523 172.153 174.600 0.126 0.000 1.086 448 S CA -1.183 57.093 58.200 0.128 0.000 0.995 448 S CB 2.091 65.338 63.200 0.078 0.000 1.084 448 S HN 0.430 nan 8.310 nan 0.000 0.507 449 P HA 0.119 nan 4.420 nan 0.000 0.265 449 P C 0.069 177.417 177.300 0.079 0.000 1.187 449 P CA 0.560 63.724 63.100 0.107 0.000 0.766 449 P CB 0.171 31.925 31.700 0.090 0.000 0.820 450 N N -2.101 116.644 118.700 0.075 0.000 2.929 450 N HA -0.220 4.520 4.740 0.001 0.000 0.234 450 N C 0.212 175.755 175.510 0.055 0.000 0.908 450 N CA 1.694 54.779 53.050 0.058 0.000 0.993 450 N CB -1.789 36.725 38.487 0.046 0.000 1.075 450 N HN 0.570 nan 8.380 nan 0.000 0.603 451 A N 0.916 123.774 122.820 0.064 0.000 2.264 451 A HA 0.727 5.048 4.320 0.001 0.000 0.304 451 A C 0.653 178.275 177.584 0.063 0.000 1.100 451 A CA -0.522 51.550 52.037 0.058 0.000 0.839 451 A CB 0.582 19.617 19.000 0.058 0.000 1.121 451 A HN 0.369 nan 8.150 nan 0.000 0.496 452 I N -0.508 120.095 120.570 0.056 0.000 2.404 452 I HA 0.641 4.812 4.170 0.001 0.000 0.293 452 I C -0.789 175.364 176.117 0.061 0.000 0.992 452 I CA -0.944 60.393 61.300 0.063 0.000 1.149 452 I CB 1.548 39.583 38.000 0.057 0.000 1.315 452 I HN 0.480 nan 8.210 nan 0.000 0.446 453 L N 7.393 128.659 121.223 0.072 0.000 2.278 453 L HA 0.474 4.814 4.340 0.001 0.000 0.287 453 L C -0.732 176.199 176.870 0.102 0.000 1.072 453 L CA 0.218 55.097 54.840 0.064 0.000 0.819 453 L CB 0.215 42.305 42.059 0.052 0.000 1.176 453 L HN 0.891 nan 8.230 nan 0.000 0.435 454 N N 2.457 121.211 118.700 0.090 0.000 2.238 454 N HA 0.715 5.455 4.740 0.001 0.000 0.302 454 N C -1.046 174.541 175.510 0.128 0.000 1.072 454 N CA -0.585 52.533 53.050 0.113 0.000 0.792 454 N CB 1.925 40.461 38.487 0.082 0.000 1.425 454 N HN 0.543 nan 8.380 nan 0.000 0.478 455 T N -1.207 113.442 114.554 0.158 0.000 2.754 455 T HA 0.514 4.865 4.350 0.001 0.000 0.296 455 T C -0.778 173.999 174.700 0.129 0.000 1.205 455 T CA -0.609 61.589 62.100 0.163 0.000 1.009 455 T CB 1.183 70.201 68.868 0.249 0.000 1.368 455 T HN 0.443 nan 8.240 nan 0.000 0.509 456 T N 1.699 116.320 114.554 0.112 0.000 2.758 456 T HA 0.615 4.965 4.350 0.001 0.000 0.285 456 T C -0.553 174.197 174.700 0.083 0.000 0.981 456 T CA -0.484 61.668 62.100 0.086 0.000 0.965 456 T CB 0.789 69.695 68.868 0.063 0.000 0.927 456 T HN 0.456 nan 8.240 nan 0.000 0.448 457 V N 6.790 126.751 119.914 0.079 0.000 2.448 457 V HA 0.386 4.507 4.120 0.001 0.000 0.295 457 V C -2.245 173.874 176.094 0.041 0.000 1.025 457 V CA -2.359 59.978 62.300 0.062 0.000 0.859 457 V CB 1.441 33.314 31.823 0.083 0.000 0.988 457 V HN 0.657 nan 8.190 nan 0.000 0.431 458 P HA 0.194 nan 4.420 nan 0.000 0.271 458 P C -0.263 177.038 177.300 0.002 0.000 1.233 458 P CA -0.155 62.937 63.100 -0.013 0.000 0.789 458 P CB 0.492 32.158 31.700 -0.056 0.000 0.951 459 A N 1.734 124.552 122.820 -0.003 0.000 2.548 459 A HA -0.021 4.300 4.320 0.001 0.000 0.247 459 A C 0.476 178.089 177.584 0.049 0.000 1.067 459 A CA 0.368 52.426 52.037 0.035 0.000 0.757 459 A CB -1.352 17.623 19.000 -0.041 0.000 0.996 459 A HN 0.830 nan 8.150 nan 0.000 0.504 460 H N -0.120 118.890 119.070 -0.100 0.000 2.861 460 H HA -0.217 4.339 4.556 0.001 0.000 0.289 460 H C 0.850 175.937 175.328 -0.402 0.000 1.176 460 H CA 0.358 56.223 56.048 -0.305 0.000 1.146 460 H CB -1.320 28.123 29.762 -0.532 0.000 1.330 460 H HN 1.006 nan 8.280 nan 0.000 0.379 461 G N -0.028 108.725 108.800 -0.078 0.000 2.932 461 G HA2 0.709 4.670 3.960 0.001 0.000 0.283 461 G HA3 0.709 4.670 3.960 0.001 0.000 0.283 461 G C -0.888 173.986 174.900 -0.043 0.000 1.336 461 G CA -0.439 44.592 45.100 -0.114 0.000 1.056 461 G HN 0.173 nan 8.290 nan 0.000 0.522 462 I N -0.738 119.791 120.570 -0.068 0.000 2.802 462 I HA 0.659 4.830 4.170 0.001 0.000 0.298 462 I C -0.687 175.425 176.117 -0.009 0.000 1.176 462 I CA -1.198 60.090 61.300 -0.021 0.000 1.025 462 I CB 2.232 40.209 38.000 -0.039 0.000 1.243 462 I HN 0.660 nan 8.210 nan 0.000 0.424 463 A N 6.302 129.112 122.820 -0.015 0.000 2.287 463 A HA 0.661 4.982 4.320 0.001 0.000 0.317 463 A C -1.542 175.893 177.584 -0.247 0.000 1.220 463 A CA -0.250 51.688 52.037 -0.165 0.000 0.835 463 A CB 0.530 19.412 19.000 -0.197 0.000 1.180 463 A HN 0.505 nan 8.150 nan 0.000 0.500 464 F N 3.463 123.155 119.950 -0.431 0.000 2.434 464 F HA 0.612 5.139 4.527 0.001 0.000 0.355 464 F C -1.184 174.459 175.800 -0.261 0.000 1.115 464 F CA -1.233 56.615 58.000 -0.253 0.000 1.010 464 F CB 0.770 39.793 39.000 0.038 0.000 1.234 464 F HN 0.565 nan 8.300 nan 0.000 0.439 465 Y N 3.742 123.947 120.300 -0.157 0.000 2.509 465 Y HA 0.588 5.139 4.550 0.001 0.000 0.341 465 Y C -0.038 175.719 175.900 -0.238 0.000 1.038 465 Y CA -1.284 56.745 58.100 -0.118 0.000 1.089 465 Y CB 1.893 40.354 38.460 0.001 0.000 1.241 465 Y HN 0.400 nan 8.280 nan 0.000 0.468 466 R N 3.054 123.615 120.500 0.103 0.000 2.343 466 R HA 0.544 4.884 4.340 0.001 0.000 0.320 466 R C -1.891 174.541 176.300 0.219 0.000 0.956 466 R CA -0.418 55.717 56.100 0.058 0.000 0.836 466 R CB 0.656 30.954 30.300 -0.003 0.000 1.151 466 R HN 0.719 nan 8.270 nan 0.000 0.450 467 L N 5.304 126.644 121.223 0.196 0.000 2.295 467 L HA 0.572 4.912 4.340 0.001 0.000 0.285 467 L C 0.148 177.324 176.870 0.511 0.000 1.035 467 L CA -0.800 54.246 54.840 0.345 0.000 0.806 467 L CB 1.561 43.752 42.059 0.220 0.000 1.214 467 L HN 0.598 nan 8.230 nan 0.000 0.426 468 R N 2.910 123.738 120.500 0.546 0.000 2.740 468 R HA 0.513 4.853 4.340 0.001 0.000 0.282 468 R C -2.634 173.789 176.300 0.205 0.000 0.969 468 R CA -2.090 54.236 56.100 0.377 0.000 0.918 468 R CB 1.747 32.125 30.300 0.130 0.000 1.175 468 R HN 0.287 nan 8.270 nan 0.000 0.464 469 P HA 0.075 nan 4.420 nan 0.000 0.271 469 P C -0.391 176.710 177.300 -0.332 0.000 1.216 469 P CA 0.027 62.683 63.100 -0.741 0.000 0.776 469 P CB 0.849 32.092 31.700 -0.763 0.000 0.881 470 S N 0.000 115.510 115.700 -0.316 0.000 2.498 470 S HA 0.000 4.470 4.470 0.001 0.000 0.327 470 S CA 0.000 58.105 58.200 -0.159 0.000 1.107 470 S CB 0.000 63.128 63.200 -0.120 0.000 0.593 470 S HN 0.000 nan 8.310 nan 0.000 0.517