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 2can_1_A DATA FIRST_RESID 38 DATA SEQUENCE PTSDDIFERE YKYGAHNYHP LPVALERGKG IYLWDVEGRK YFDFLSSYSA DATA SEQUENCE VNQGHCHPKI VNALKSQVDK LTLTSRAFYN NVLGEYEEYI TKLFNYHKVL DATA SEQUENCE PMNTGVEAGE TACKLARKWG YTVKGIQKYK AKIVFAAGNF WGRTLSAISS DATA SEQUENCE STDPTSYDGF GPFMPGFDII PYNDLPALER ALQDPNVAAF MVEPIQGEAG DATA SEQUENCE VVVPDPGYLM GVRELCTRHQ VLFIADEIQT GLARTGRWLA VDYENVRPDI DATA SEQUENCE VLLGKALSGG LYPVSAVLCD DDIMLTIKPG EHGSTYGGNP LGCRVAIAAL DATA SEQUENCE EVLEEENLAE NADKLGIILR NELMKLPSDV VTAVRGKGLL NAIVIKETKD DATA SEQUENCE WDAWKVCLRL RDNGLLAKPT HGDIIRFAPP LVIKEDELRE SIEIINKTIL DATA SEQUENCE SF 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 38 P HA 0.000 nan 4.420 nan 0.000 0.216 38 P C 0.000 177.265 177.300 -0.059 0.000 1.155 38 P CA 0.000 63.080 63.100 -0.033 0.000 0.800 38 P CB 0.000 31.684 31.700 -0.027 0.000 0.726 39 T N -1.706 112.801 114.554 -0.078 0.000 2.816 39 T HA 0.448 nan 4.350 nan 0.000 0.282 39 T C 1.270 175.837 174.700 -0.222 0.000 0.993 39 T CA -1.548 60.485 62.100 -0.113 0.000 0.994 39 T CB 1.506 70.318 68.868 -0.093 0.000 1.025 39 T HN 0.053 8.540 8.240 -0.067 -0.287 0.529 40 S N 2.421 117.939 115.700 -0.302 0.000 2.387 40 S HA -0.487 nan 4.470 nan 0.000 0.230 40 S C 1.782 175.697 174.600 -1.142 0.000 1.035 40 S CA 4.151 61.948 58.200 -0.671 0.000 1.014 40 S CB -0.171 62.714 63.200 -0.526 0.000 0.836 40 S HN -0.005 8.424 8.310 -0.202 -0.241 0.466 41 D N 0.037 120.090 120.400 -0.579 0.000 2.144 41 D HA -0.216 nan 4.640 nan 0.000 0.200 41 D C 1.798 177.992 176.300 -0.177 0.000 0.978 41 D CA 3.461 57.274 54.000 -0.312 0.000 0.833 41 D CB -0.558 40.195 40.800 -0.079 0.000 0.961 41 D HN 0.228 8.373 8.370 -0.355 0.012 0.470 42 D N 0.293 120.598 120.400 -0.158 0.000 2.117 42 D HA -0.166 nan 4.640 nan 0.000 0.198 42 D C 2.449 178.729 176.300 -0.033 0.000 0.982 42 D CA 3.147 57.114 54.000 -0.055 0.000 0.828 42 D CB -0.160 40.616 40.800 -0.040 0.000 0.967 42 D HN -0.755 7.393 8.370 -0.191 0.108 0.464 43 I N 0.313 120.805 120.570 -0.131 0.000 2.127 43 I HA -0.558 nan 4.170 nan 0.000 0.241 43 I C 1.905 178.097 176.117 0.125 0.000 1.075 43 I CA 4.095 65.367 61.300 -0.046 0.000 1.334 43 I CB -0.066 37.855 38.000 -0.132 0.000 1.040 43 I HN -0.110 7.957 8.210 -0.238 0.000 0.405 44 F N -2.238 117.744 119.950 0.054 0.000 2.095 44 F HA -0.431 nan 4.527 nan 0.000 0.298 44 F C 2.437 178.287 175.800 0.084 0.000 1.104 44 F CA 0.883 58.917 58.000 0.056 0.000 1.232 44 F CB -1.494 37.520 39.000 0.023 0.000 0.987 44 F HN -0.026 8.039 8.300 -0.392 0.000 0.475 45 E N -0.603 119.746 120.200 0.249 0.000 2.077 45 E HA -0.445 nan 4.350 nan 0.000 0.193 45 E C 2.429 179.153 176.600 0.206 0.000 0.989 45 E CA 3.075 59.581 56.400 0.177 0.000 0.800 45 E CB -0.131 29.632 29.700 0.105 0.000 0.746 45 E HN -0.296 8.182 8.360 0.197 0.000 0.452 46 R N -0.915 119.707 120.500 0.204 0.000 2.081 46 R HA -0.326 nan 4.340 nan 0.000 0.235 46 R C 2.325 178.806 176.300 0.301 0.000 1.131 46 R CA 3.269 59.528 56.100 0.265 0.000 0.960 46 R CB -0.085 30.359 30.300 0.240 0.000 0.856 46 R HN -0.105 8.268 8.270 0.173 0.000 0.436 47 E N -1.048 119.311 120.200 0.266 0.000 2.110 47 E HA -0.378 nan 4.350 nan 0.000 0.193 47 E C 2.348 179.097 176.600 0.248 0.000 0.988 47 E CA 2.928 59.478 56.400 0.250 0.000 0.804 47 E CB -0.198 29.636 29.700 0.222 0.000 0.745 47 E HN -0.576 7.935 8.360 0.252 0.000 0.458 48 Y N -1.314 119.058 120.300 0.120 0.000 2.333 48 Y HA -0.350 nan 4.550 nan 0.000 0.290 48 Y C 0.221 176.218 175.900 0.163 0.000 1.144 48 Y CA 3.167 61.326 58.100 0.099 0.000 1.228 48 Y CB 0.144 38.610 38.460 0.010 0.000 0.985 48 Y HN -0.484 8.011 8.280 0.358 0.000 0.542 49 K N -3.619 116.818 120.400 0.061 0.000 2.166 49 K HA -0.176 nan 4.320 nan 0.000 0.201 49 K C 1.334 177.667 176.600 -0.444 0.000 1.052 49 K CA 1.477 57.602 56.287 -0.270 0.000 0.969 49 K CB 0.652 32.836 32.500 -0.527 0.000 0.761 49 K HN -0.662 7.527 8.250 0.126 0.137 0.459 50 Y N -3.970 116.381 120.300 0.085 0.000 2.467 50 Y HA 0.146 nan 4.550 nan 0.000 0.250 50 Y C 0.097 176.023 175.900 0.044 0.000 1.155 50 Y CA -0.400 57.730 58.100 0.051 0.000 1.249 50 Y CB 1.015 39.507 38.460 0.052 0.000 1.146 50 Y HN -0.517 7.783 8.280 0.034 0.000 0.524 51 G N -1.488 107.408 108.800 0.160 0.000 2.519 51 G HA2 0.238 nan 3.960 nan 0.000 0.307 51 G HA3 0.238 nan 3.960 nan 0.000 0.307 51 G C -2.120 172.841 174.900 0.101 0.000 1.266 51 G CA -1.290 43.892 45.100 0.136 0.000 0.970 51 G HN -0.518 7.857 8.290 0.141 0.000 0.481 52 A N -0.330 122.535 122.820 0.075 0.000 2.483 52 A HA -0.163 nan 4.320 nan 0.000 0.238 52 A C 0.104 177.807 177.584 0.199 0.000 1.070 52 A CA 0.294 52.347 52.037 0.028 0.000 0.770 52 A CB 0.407 19.431 19.000 0.039 0.000 1.008 52 A HN 0.146 8.347 8.150 0.085 0.000 0.497 53 H N 0.762 119.818 119.070 -0.024 0.000 2.704 53 H HA 0.065 nan 4.556 nan 0.000 0.315 53 H C -0.456 174.897 175.328 0.041 0.000 1.117 53 H CA -1.085 54.964 56.048 0.001 0.000 1.129 53 H CB -0.972 28.747 29.762 -0.071 0.000 1.439 53 H HN 0.302 8.534 8.280 -0.080 0.000 0.528 54 N N -1.548 117.253 118.700 0.167 0.000 2.571 54 N HA -0.194 nan 4.740 nan 0.000 0.189 54 N C -0.921 174.534 175.510 -0.092 0.000 1.154 54 N CA 0.793 53.861 53.050 0.031 0.000 0.907 54 N CB -0.342 38.138 38.487 -0.013 0.000 0.977 54 N HN 0.271 8.671 8.380 0.191 0.095 0.449 55 Y N -2.052 118.307 120.300 0.098 0.000 2.581 55 Y HA 0.122 nan 4.550 nan 0.000 0.345 55 Y C -1.347 174.634 175.900 0.136 0.000 1.036 55 Y CA -0.537 57.621 58.100 0.097 0.000 1.042 55 Y CB 3.009 41.522 38.460 0.087 0.000 1.289 55 Y HN -0.916 7.459 8.280 0.298 0.084 0.471 56 H N 4.140 123.329 119.070 0.199 0.000 2.761 56 H HA 0.349 nan 4.556 nan 0.000 0.263 56 H C -2.393 173.031 175.328 0.160 0.000 1.292 56 H CA -2.066 54.033 56.048 0.086 0.000 1.540 56 H CB 0.778 30.508 29.762 -0.054 0.000 1.569 56 H HN 0.256 8.759 8.280 0.371 0.000 0.510 57 P HA 0.040 nan 4.420 nan 0.000 0.274 57 P C -1.380 175.873 177.300 -0.078 0.000 1.237 57 P CA -0.801 62.281 63.100 -0.030 0.000 0.793 57 P CB 0.792 32.448 31.700 -0.074 0.000 0.977 58 L N 2.197 123.372 121.223 -0.080 0.000 2.455 58 L HA 0.150 nan 4.340 nan 0.000 0.272 58 L C -1.565 175.132 176.870 -0.288 0.000 1.174 58 L CA -2.131 52.546 54.840 -0.272 0.000 0.869 58 L CB -0.036 41.812 42.059 -0.351 0.000 1.130 58 L HN 0.099 8.292 8.230 -0.062 0.000 0.474 59 P HA 0.039 nan 4.420 nan 0.000 0.262 59 P C -1.821 175.438 177.300 -0.069 0.000 1.455 59 P CA 0.195 63.012 63.100 -0.472 0.000 1.217 59 P CB -1.860 29.596 31.700 -0.406 0.000 1.625 60 V N -3.131 116.810 119.914 0.046 0.000 2.851 60 V HA 0.402 nan 4.120 nan 0.000 0.307 60 V C -1.706 174.521 176.094 0.222 0.000 1.129 60 V CA -1.878 60.491 62.300 0.115 0.000 0.932 60 V CB 3.221 34.928 31.823 -0.194 0.000 1.024 60 V HN -0.294 7.838 8.190 -0.058 0.023 0.426 61 A N 5.963 128.903 122.820 0.201 0.000 2.508 61 A HA 0.494 nan 4.320 nan 0.000 0.336 61 A C -1.503 176.127 177.584 0.076 0.000 1.360 61 A CA -1.317 50.803 52.037 0.137 0.000 0.841 61 A CB 0.243 19.250 19.000 0.012 0.000 1.136 61 A HN 0.357 8.603 8.150 0.159 0.000 0.489 62 L N 1.699 122.956 121.223 0.057 0.000 2.439 62 L HA 0.183 nan 4.340 nan 0.000 0.261 62 L C 0.602 177.517 176.870 0.075 0.000 1.153 62 L CA -0.374 54.507 54.840 0.068 0.000 0.808 62 L CB -0.159 41.915 42.059 0.026 0.000 1.126 62 L HN 0.256 8.513 8.230 0.046 0.000 0.460 63 E N 0.266 120.527 120.200 0.102 0.000 2.679 63 E HA 0.145 nan 4.350 nan 0.000 0.221 63 E C -0.573 176.081 176.600 0.090 0.000 0.928 63 E CA -0.243 56.205 56.400 0.080 0.000 1.296 63 E CB 2.262 31.999 29.700 0.061 0.000 1.235 63 E HN 0.523 8.970 8.360 0.145 0.000 0.622 64 R N -0.014 120.575 120.500 0.148 0.000 2.629 64 R HA 0.363 nan 4.340 nan 0.000 0.266 64 R C -2.449 174.031 176.300 0.299 0.000 1.051 64 R CA 0.316 56.519 56.100 0.173 0.000 0.895 64 R CB 3.802 34.158 30.300 0.094 0.000 1.246 64 R HN -0.744 7.637 8.270 0.185 0.000 0.459 65 G N 1.326 110.275 108.800 0.248 0.000 2.759 65 G HA2 0.369 nan 3.960 nan 0.000 0.297 65 G HA3 0.369 nan 3.960 nan 0.000 0.297 65 G C -2.643 172.434 174.900 0.295 0.000 1.434 65 G CA 0.522 45.720 45.100 0.163 0.000 0.980 65 G HN 0.101 8.506 8.290 0.193 0.000 0.531 66 K N 3.917 124.564 120.400 0.412 0.000 2.553 66 K HA 0.496 nan 4.320 nan 0.000 0.250 66 K C -0.130 176.665 176.600 0.325 0.000 0.953 66 K CA -2.241 54.273 56.287 0.378 0.000 0.800 66 K CB 2.079 34.821 32.500 0.402 0.000 1.243 66 K HN 0.488 8.963 8.250 0.375 0.000 0.435 67 G N 7.606 116.562 108.800 0.260 0.000 2.622 67 G HA2 -0.455 nan 3.960 nan 0.000 0.307 67 G HA3 -0.455 nan 3.960 nan 0.000 0.307 67 G C -0.043 174.948 174.900 0.151 0.000 1.226 67 G CA 1.742 46.951 45.100 0.182 0.000 0.997 67 G HN 0.325 8.766 8.290 0.252 0.000 0.551 68 I N -0.601 119.943 120.570 -0.044 0.000 3.793 68 I HA 0.284 nan 4.170 nan 0.000 0.315 68 I C -1.074 174.828 176.117 -0.359 0.000 1.275 68 I CA 0.024 61.216 61.300 -0.181 0.000 1.214 68 I CB -0.217 37.605 38.000 -0.297 0.000 1.018 68 I HN -0.233 7.928 8.210 -0.081 0.000 0.439 69 Y N -0.909 119.308 120.300 -0.139 0.000 2.457 69 Y HA 0.621 nan 4.550 nan 0.000 0.333 69 Y C -1.694 173.871 175.900 -0.558 0.000 1.119 69 Y CA -1.254 56.554 58.100 -0.487 0.000 1.143 69 Y CB 2.510 40.437 38.460 -0.887 0.000 1.230 69 Y HN -0.293 7.903 8.280 -0.019 0.073 0.469 70 L N -0.953 120.013 121.223 -0.428 0.000 2.436 70 L HA 0.592 nan 4.340 nan 0.000 0.268 70 L C -1.843 174.911 176.870 -0.195 0.000 0.974 70 L CA -0.795 53.899 54.840 -0.244 0.000 0.826 70 L CB 4.055 46.021 42.059 -0.155 0.000 1.291 70 L HN 0.456 8.460 8.230 -0.377 0.000 0.406 71 W N 1.458 122.810 121.300 0.087 0.000 2.529 71 W HA 0.431 nan 4.660 nan 0.000 0.321 71 W C -0.989 175.604 176.519 0.123 0.000 1.047 71 W CA -1.159 56.247 57.345 0.101 0.000 1.216 71 W CB 3.046 32.511 29.460 0.008 0.000 1.357 71 W HN 1.105 9.454 8.180 0.462 0.108 0.489 72 D N 0.947 121.578 120.400 0.385 0.000 2.478 72 D HA 0.386 nan 4.640 nan 0.000 0.274 72 D C 1.923 178.328 176.300 0.175 0.000 1.234 72 D CA -1.363 52.793 54.000 0.261 0.000 1.069 72 D CB 0.789 41.771 40.800 0.304 0.000 1.113 72 D HN 0.412 9.039 8.370 0.429 0.000 0.571 73 V N -8.471 111.503 119.914 0.100 0.000 3.078 73 V HA -0.074 nan 4.120 nan 0.000 0.265 73 V C 0.925 177.044 176.094 0.041 0.000 1.122 73 V CA 2.525 64.855 62.300 0.050 0.000 1.141 73 V CB -0.861 30.963 31.823 0.001 0.000 0.735 73 V HN -0.092 8.149 8.190 0.085 0.000 0.498 74 E N 0.392 120.629 120.200 0.061 0.000 2.463 74 E HA 0.157 nan 4.350 nan 0.000 0.193 74 E C 0.362 176.992 176.600 0.049 0.000 1.041 74 E CA -0.624 55.800 56.400 0.041 0.000 0.879 74 E CB 0.003 29.727 29.700 0.039 0.000 0.997 74 E HN -0.319 8.253 8.360 0.092 -0.158 0.478 75 G N -1.545 107.308 108.800 0.087 0.000 2.199 75 G HA2 -0.507 nan 3.960 nan 0.000 0.254 75 G HA3 -0.507 nan 3.960 nan 0.000 0.254 75 G C -0.245 174.746 174.900 0.151 0.000 0.982 75 G CA 0.273 45.438 45.100 0.108 0.000 0.632 75 G HN -0.307 7.906 8.290 0.110 0.142 0.529 76 R N 0.257 120.795 120.500 0.064 0.000 2.522 76 R HA -0.132 nan 4.340 nan 0.000 0.284 76 R C -1.123 175.005 176.300 -0.288 0.000 1.032 76 R CA 0.289 56.305 56.100 -0.141 0.000 1.049 76 R CB 0.771 30.939 30.300 -0.221 0.000 0.956 76 R HN -0.484 7.923 8.270 0.079 -0.089 0.422 77 K N 3.431 123.545 120.400 -0.477 0.000 2.118 77 K HA 0.332 nan 4.320 nan 0.000 0.267 77 K C -0.983 175.132 176.600 -0.807 0.000 0.991 77 K CA -0.726 55.121 56.287 -0.734 0.000 0.916 77 K CB 1.562 33.688 32.500 -0.624 0.000 1.041 77 K HN -0.002 8.016 8.250 -0.387 0.000 0.455 78 Y N 0.700 120.755 120.300 -0.410 0.000 2.562 78 Y HA 0.201 nan 4.550 nan 0.000 0.345 78 Y C -1.036 174.803 175.900 -0.103 0.000 1.045 78 Y CA -1.504 56.497 58.100 -0.165 0.000 1.028 78 Y CB 3.947 42.356 38.460 -0.086 0.000 1.297 78 Y HN 0.387 8.363 8.280 -0.506 0.000 0.463 79 F N 1.183 121.264 119.950 0.218 0.000 2.410 79 F HA 0.178 nan 4.527 nan 0.000 0.348 79 F C -1.001 174.923 175.800 0.207 0.000 1.106 79 F CA 0.292 58.386 58.000 0.158 0.000 1.163 79 F CB 1.505 40.631 39.000 0.210 0.000 1.129 79 F HN 0.518 8.993 8.300 0.475 0.110 0.516 80 D N 4.648 125.233 120.400 0.310 0.000 2.359 80 D HA 0.148 nan 4.640 nan 0.000 0.230 80 D C -0.817 175.636 176.300 0.255 0.000 1.118 80 D CA -1.240 52.901 54.000 0.235 0.000 0.844 80 D CB 0.724 41.623 40.800 0.166 0.000 1.059 80 D HN 0.280 8.762 8.370 0.187 0.000 0.493 81 F N 4.858 124.862 119.950 0.091 0.000 2.850 81 F HA 0.217 nan 4.527 nan 0.000 0.306 81 F C -0.967 174.864 175.800 0.052 0.000 1.162 81 F CA -0.620 57.444 58.000 0.107 0.000 1.327 81 F CB 0.572 39.697 39.000 0.209 0.000 0.953 81 F HN 0.553 9.101 8.300 0.413 0.000 0.507 82 L N -0.676 120.584 121.223 0.061 0.000 2.885 82 L HA 0.296 nan 4.340 nan 0.000 0.251 82 L C -0.717 176.101 176.870 -0.086 0.000 1.071 82 L CA 0.050 54.861 54.840 -0.048 0.000 0.956 82 L CB 2.236 44.208 42.059 -0.144 0.000 1.483 82 L HN -0.380 8.027 8.230 0.063 -0.139 0.525 83 S N -0.408 115.259 115.700 -0.055 0.000 3.533 83 S HA -0.434 nan 4.470 nan 0.000 0.347 83 S C -0.689 173.854 174.600 -0.094 0.000 1.101 83 S CA 0.805 58.960 58.200 -0.075 0.000 1.009 83 S CB -1.474 61.677 63.200 -0.081 0.000 0.916 83 S HN -0.524 8.101 8.310 -0.008 -0.321 0.496 84 S N -1.583 114.037 115.700 -0.134 0.000 3.628 84 S HA -0.423 nan 4.470 nan 0.000 0.373 84 S C -0.101 174.476 174.600 -0.039 0.000 0.968 84 S CA 0.641 58.749 58.200 -0.153 0.000 1.215 84 S CB -1.211 61.963 63.200 -0.042 0.000 0.912 84 S HN 0.388 8.595 8.310 -0.138 0.020 0.495 85 Y N -3.451 116.851 120.300 0.002 0.000 3.589 85 Y HA -0.387 nan 4.550 nan 0.000 0.218 85 Y C -0.419 175.486 175.900 0.008 0.000 1.234 85 Y CA 0.327 58.428 58.100 0.002 0.000 1.576 85 Y CB -3.014 35.450 38.460 0.007 0.000 1.487 85 Y HN -0.098 7.946 8.280 -0.393 0.000 0.616 86 S N -4.301 111.451 115.700 0.087 0.000 3.315 86 S HA -0.465 nan 4.470 nan 0.000 0.283 86 S C -0.629 174.002 174.600 0.051 0.000 1.279 86 S CA 0.448 58.682 58.200 0.057 0.000 0.984 86 S CB -0.315 62.932 63.200 0.079 0.000 1.184 86 S HN -0.270 7.956 8.310 0.027 0.101 0.653 87 A N -0.863 121.984 122.820 0.045 0.000 1.975 87 A HA 0.009 nan 4.320 nan 0.000 0.215 87 A C 0.771 178.347 177.584 -0.013 0.000 1.170 87 A CA 2.088 54.147 52.037 0.036 0.000 0.656 87 A CB 0.578 19.610 19.000 0.053 0.000 0.821 87 A HN -0.307 7.718 8.150 0.045 0.152 0.449 88 V N -5.275 114.591 119.914 -0.081 0.000 2.584 88 V HA 0.309 nan 4.120 nan 0.000 0.319 88 V C -0.071 175.960 176.094 -0.106 0.000 1.363 88 V CA -2.202 60.011 62.300 -0.145 0.000 1.518 88 V CB -2.919 28.667 31.823 -0.396 0.000 1.514 88 V HN -0.310 7.828 8.190 -0.086 0.000 0.553 89 N N 3.902 122.574 118.700 -0.047 0.000 2.205 89 N HA -0.247 nan 4.740 nan 0.000 0.186 89 N C 1.154 176.644 175.510 -0.033 0.000 1.015 89 N CA 3.284 56.312 53.050 -0.037 0.000 0.862 89 N CB -0.271 38.209 38.487 -0.012 0.000 0.986 89 N HN -0.224 8.076 8.380 -0.023 0.066 0.429 90 Q N -3.230 116.557 119.800 -0.022 0.000 2.365 90 Q HA -0.017 nan 4.340 nan 0.000 0.203 90 Q C 0.116 176.169 176.000 0.087 0.000 0.929 90 Q CA -0.537 55.267 55.803 0.001 0.000 0.948 90 Q CB -0.429 28.263 28.738 -0.077 0.000 1.043 90 Q HN -0.028 8.202 8.270 -0.023 0.026 0.505 91 G N -2.469 106.348 108.800 0.028 0.000 2.712 91 G HA2 -0.374 nan 3.960 nan 0.000 0.686 91 G HA3 -0.374 nan 3.960 nan 0.000 0.686 91 G C -0.857 174.086 174.900 0.072 0.000 1.321 91 G CA -0.558 44.582 45.100 0.066 0.000 0.813 91 G HN -0.511 7.562 8.290 -0.032 0.198 0.599 92 H N 0.533 119.661 119.070 0.096 0.000 2.815 92 H HA -0.109 nan 4.556 nan 0.000 0.350 92 H C 1.485 176.891 175.328 0.130 0.000 1.080 92 H CA 1.459 57.574 56.048 0.111 0.000 1.433 92 H CB 0.641 30.473 29.762 0.117 0.000 1.432 92 H HN 0.125 8.506 8.280 0.334 0.099 0.592 93 C N 1.669 121.106 119.300 0.228 0.000 3.886 93 C HA -0.348 nan 4.460 nan 0.000 0.295 93 C C -0.025 175.061 174.990 0.161 0.000 1.411 93 C CA 0.290 59.414 59.018 0.177 0.000 2.059 93 C CB -2.893 24.942 27.740 0.158 0.000 1.329 93 C HN 1.084 9.435 8.230 0.202 0.000 0.670 94 H N 3.956 123.081 119.070 0.092 0.000 3.107 94 H HA -0.014 nan 4.556 nan 0.000 0.301 94 H C -0.556 174.815 175.328 0.071 0.000 0.981 94 H CA 0.379 56.474 56.048 0.079 0.000 1.443 94 H CB 0.523 30.324 29.762 0.065 0.000 1.479 94 H HN -0.210 8.226 8.280 0.260 0.000 0.564 95 P HA -0.395 nan 4.420 nan 0.000 0.217 95 P C 1.428 178.793 177.300 0.108 0.000 1.158 95 P CA 3.157 66.233 63.100 -0.040 0.000 0.887 95 P CB 0.200 31.818 31.700 -0.137 0.000 0.792 96 K N -2.524 118.042 120.400 0.276 0.000 2.097 96 K HA -0.217 nan 4.320 nan 0.000 0.206 96 K C 2.578 179.296 176.600 0.197 0.000 1.049 96 K CA 2.994 59.438 56.287 0.261 0.000 0.933 96 K CB -0.222 32.468 32.500 0.317 0.000 0.717 96 K HN -0.713 7.711 8.250 0.290 0.000 0.442 97 I N -0.940 119.776 120.570 0.243 0.000 2.286 97 I HA -0.374 nan 4.170 nan 0.000 0.245 97 I C 1.641 177.830 176.117 0.119 0.000 1.104 97 I CA 3.493 64.878 61.300 0.142 0.000 1.397 97 I CB 0.135 38.212 38.000 0.128 0.000 1.072 97 I HN -0.612 7.848 8.210 0.416 0.000 0.417 98 V N 0.875 120.867 119.914 0.130 0.000 2.407 98 V HA -0.536 nan 4.120 nan 0.000 0.248 98 V C 1.999 178.138 176.094 0.074 0.000 1.055 98 V CA 4.880 67.237 62.300 0.096 0.000 1.049 98 V CB -1.193 30.683 31.823 0.087 0.000 0.662 98 V HN 0.229 8.519 8.190 0.167 0.000 0.455 99 N N -0.719 118.025 118.700 0.073 0.000 2.120 99 N HA -0.269 nan 4.740 nan 0.000 0.188 99 N C 2.009 177.547 175.510 0.047 0.000 1.024 99 N CA 3.096 56.178 53.050 0.054 0.000 0.852 99 N CB -0.793 37.726 38.487 0.053 0.000 1.003 99 N HN 0.112 8.539 8.380 0.090 0.006 0.424 100 A N 0.120 122.971 122.820 0.052 0.000 1.933 100 A HA -0.213 nan 4.320 nan 0.000 0.218 100 A C 2.110 179.709 177.584 0.026 0.000 1.175 100 A CA 2.878 54.937 52.037 0.036 0.000 0.628 100 A CB -0.625 18.398 19.000 0.038 0.000 0.814 100 A HN -0.601 7.511 8.150 0.068 0.079 0.444 101 L N -1.455 119.790 121.223 0.038 0.000 2.005 101 L HA -0.326 nan 4.340 nan 0.000 0.207 101 L C 1.725 178.617 176.870 0.038 0.000 1.072 101 L CA 3.082 57.944 54.840 0.036 0.000 0.744 101 L CB -0.241 41.858 42.059 0.066 0.000 0.895 101 L HN -0.267 7.994 8.230 0.052 0.000 0.433 102 K N -2.424 118.002 120.400 0.043 0.000 2.152 102 K HA -0.439 nan 4.320 nan 0.000 0.206 102 K C 2.509 179.126 176.600 0.029 0.000 1.048 102 K CA 3.388 59.697 56.287 0.037 0.000 0.933 102 K CB -0.406 32.115 32.500 0.036 0.000 0.721 102 K HN -0.120 8.159 8.250 0.048 0.000 0.447 103 S N -1.071 114.644 115.700 0.025 0.000 2.338 103 S HA -0.248 nan 4.470 nan 0.000 0.218 103 S C 2.355 176.964 174.600 0.015 0.000 1.032 103 S CA 2.704 60.916 58.200 0.019 0.000 0.999 103 S CB 0.041 63.252 63.200 0.017 0.000 0.905 103 S HN -0.226 8.082 8.310 0.028 0.019 0.439 104 Q N 1.807 121.614 119.800 0.011 0.000 2.170 104 Q HA -0.224 nan 4.340 nan 0.000 0.203 104 Q C 2.069 178.076 176.000 0.012 0.000 0.976 104 Q CA 2.532 58.338 55.803 0.004 0.000 0.858 104 Q CB -0.110 28.620 28.738 -0.014 0.000 0.907 104 Q HN -0.442 7.834 8.270 0.010 0.000 0.433 105 V N -5.305 114.622 119.914 0.021 0.000 2.688 105 V HA -0.243 nan 4.120 nan 0.000 0.256 105 V C 1.313 177.425 176.094 0.031 0.000 1.084 105 V CA 2.832 65.152 62.300 0.034 0.000 1.103 105 V CB -1.333 30.518 31.823 0.047 0.000 0.688 105 V HN -0.216 7.988 8.190 0.023 0.000 0.480 106 D N -0.409 120.005 120.400 0.024 0.000 2.323 106 D HA -0.004 nan 4.640 nan 0.000 0.209 106 D C 0.812 177.122 176.300 0.018 0.000 0.973 106 D CA 1.752 55.765 54.000 0.021 0.000 0.874 106 D CB 0.254 41.064 40.800 0.018 0.000 0.930 106 D HN -0.248 8.094 8.370 0.022 0.041 0.521 107 K N -1.684 118.726 120.400 0.017 0.000 2.157 107 K HA 0.094 nan 4.320 nan 0.000 0.207 107 K C -0.111 176.498 176.600 0.016 0.000 1.030 107 K CA 1.103 57.398 56.287 0.014 0.000 0.965 107 K CB 2.066 34.573 32.500 0.011 0.000 0.877 107 K HN -0.502 7.595 8.250 0.017 0.163 0.460 108 L N -3.476 117.758 121.223 0.018 0.000 2.612 108 L HA 0.118 nan 4.340 nan 0.000 0.256 108 L C -1.755 175.128 176.870 0.022 0.000 0.949 108 L CA -0.358 54.495 54.840 0.022 0.000 0.867 108 L CB 2.589 44.661 42.059 0.021 0.000 1.417 108 L HN -0.422 7.817 8.230 0.016 0.000 0.414 109 T N -3.142 111.432 114.554 0.033 0.000 3.115 109 T HA 0.134 nan 4.350 nan 0.000 0.256 109 T C -1.430 173.297 174.700 0.045 0.000 0.970 109 T CA 0.112 62.241 62.100 0.048 0.000 1.010 109 T CB 1.325 70.249 68.868 0.094 0.000 1.151 109 T HN 0.047 8.308 8.240 0.036 0.000 0.479 110 L N 0.396 121.633 121.223 0.024 0.000 2.543 110 L HA 0.295 nan 4.340 nan 0.000 0.265 110 L C -1.108 175.752 176.870 -0.016 0.000 0.945 110 L CA 0.720 55.542 54.840 -0.029 0.000 0.869 110 L CB 2.293 44.278 42.059 -0.124 0.000 1.294 110 L HN -0.565 7.683 8.230 0.030 0.000 0.405 111 T N 2.913 117.466 114.554 -0.001 0.000 2.975 111 T HA 0.199 nan 4.350 nan 0.000 0.261 111 T C -0.556 174.156 174.700 0.020 0.000 0.984 111 T CA -0.720 61.428 62.100 0.080 0.000 0.911 111 T CB -0.158 68.803 68.868 0.155 0.000 1.127 111 T HN 0.284 8.514 8.240 -0.016 0.000 0.514 112 S N 1.467 117.119 115.700 -0.081 0.000 3.661 112 S HA -0.236 nan 4.470 nan 0.000 0.772 112 S C 0.779 175.292 174.600 -0.144 0.000 1.194 112 S CA 0.902 59.011 58.200 -0.151 0.000 1.148 112 S CB -0.221 62.860 63.200 -0.199 0.000 0.564 112 S HN -0.465 7.794 8.310 -0.085 0.000 0.482 113 R N 1.812 122.211 120.500 -0.168 0.000 2.325 113 R HA 0.010 nan 4.340 nan 0.000 0.214 113 R C 0.359 176.501 176.300 -0.264 0.000 0.961 113 R CA 0.647 56.636 56.100 -0.184 0.000 1.086 113 R CB -0.834 29.374 30.300 -0.153 0.000 1.037 113 R HN 0.566 8.737 8.270 -0.165 0.000 0.493 114 A N -0.620 121.981 122.820 -0.366 0.000 2.014 114 A HA -0.100 nan 4.320 nan 0.000 0.218 114 A C -0.692 176.572 177.584 -0.533 0.000 1.163 114 A CA 1.790 53.507 52.037 -0.534 0.000 0.652 114 A CB 0.564 19.078 19.000 -0.810 0.000 0.808 114 A HN -0.337 7.503 8.150 -0.364 0.091 0.449 115 F N -5.381 114.521 119.950 -0.079 0.000 2.611 115 F HA 0.288 nan 4.527 nan 0.000 0.324 115 F C -0.894 174.881 175.800 -0.041 0.000 1.061 115 F CA -2.149 55.842 58.000 -0.014 0.000 0.954 115 F CB 2.127 41.144 39.000 0.027 0.000 1.301 115 F HN -0.776 7.342 8.300 -0.252 0.031 0.482 116 Y N 0.380 120.806 120.300 0.210 0.000 2.335 116 Y HA 0.013 nan 4.550 nan 0.000 0.323 116 Y C -0.028 175.930 175.900 0.098 0.000 1.224 116 Y CA 0.364 58.533 58.100 0.115 0.000 1.241 116 Y CB 0.805 39.314 38.460 0.082 0.000 1.235 116 Y HN 0.174 8.805 8.280 0.586 0.000 0.492 117 N N -0.388 118.459 118.700 0.246 0.000 2.380 117 N HA 0.146 nan 4.740 nan 0.000 0.290 117 N C -0.397 175.194 175.510 0.134 0.000 1.236 117 N CA -1.446 51.693 53.050 0.148 0.000 0.780 117 N CB 2.342 40.888 38.487 0.098 0.000 1.438 117 N HN -0.251 8.285 8.380 0.261 0.000 0.491 118 N N -2.247 116.505 118.700 0.086 0.000 2.409 118 N HA -0.158 nan 4.740 nan 0.000 0.179 118 N C 1.049 176.601 175.510 0.070 0.000 1.032 118 N CA 1.308 54.399 53.050 0.068 0.000 0.898 118 N CB -0.190 38.321 38.487 0.040 0.000 0.971 118 N HN 0.235 8.657 8.380 0.072 0.000 0.441 119 V N 0.039 119.994 119.914 0.069 0.000 2.346 119 V HA -0.133 nan 4.120 nan 0.000 0.244 119 V C 1.797 177.960 176.094 0.114 0.000 1.037 119 V CA 2.511 64.853 62.300 0.071 0.000 1.029 119 V CB -0.438 31.408 31.823 0.038 0.000 0.663 119 V HN -0.346 8.054 8.190 0.064 -0.171 0.454 120 L N 0.202 121.497 121.223 0.119 0.000 2.010 120 L HA -0.445 nan 4.340 nan 0.000 0.219 120 L C 1.661 178.656 176.870 0.209 0.000 1.077 120 L CA 3.370 58.313 54.840 0.171 0.000 0.773 120 L CB -0.642 41.499 42.059 0.137 0.000 0.892 120 L HN 0.119 8.761 8.230 0.096 -0.354 0.436 121 G N -4.905 103.993 108.800 0.163 0.000 2.448 121 G HA2 -0.462 nan 3.960 nan 0.000 0.219 121 G HA3 -0.462 nan 3.960 nan 0.000 0.219 121 G C 0.943 175.914 174.900 0.119 0.000 1.127 121 G CA 1.891 47.072 45.100 0.135 0.000 0.766 121 G HN 0.364 8.748 8.290 0.156 0.000 0.552 122 E N 2.843 123.120 120.200 0.129 0.000 2.047 122 E HA -0.287 nan 4.350 nan 0.000 0.191 122 E C 1.446 178.152 176.600 0.176 0.000 0.987 122 E CA 2.572 59.042 56.400 0.116 0.000 0.799 122 E CB -0.072 29.684 29.700 0.092 0.000 0.752 122 E HN -0.476 7.834 8.360 0.133 0.130 0.449 123 Y N 0.251 120.612 120.300 0.101 0.000 2.145 123 Y HA -0.476 nan 4.550 nan 0.000 0.286 123 Y C 1.778 177.768 175.900 0.150 0.000 1.145 123 Y CA 3.129 61.318 58.100 0.148 0.000 1.148 123 Y CB -0.016 38.507 38.460 0.106 0.000 0.981 123 Y HN -0.418 8.047 8.280 0.309 0.000 0.507 124 E N -1.961 118.197 120.200 -0.070 0.000 2.049 124 E HA -0.572 nan 4.350 nan 0.000 0.198 124 E C 2.147 178.676 176.600 -0.118 0.000 1.007 124 E CA 3.410 59.706 56.400 -0.173 0.000 0.809 124 E CB -0.487 29.221 29.700 0.013 0.000 0.749 124 E HN 0.108 8.576 8.360 0.181 0.000 0.450 125 E N -0.783 119.411 120.200 -0.010 0.000 2.077 125 E HA -0.348 nan 4.350 nan 0.000 0.193 125 E C 2.209 178.831 176.600 0.035 0.000 0.989 125 E CA 2.827 59.237 56.400 0.016 0.000 0.800 125 E CB -0.001 29.724 29.700 0.042 0.000 0.746 125 E HN -0.611 7.768 8.360 0.031 0.000 0.452 126 Y N 0.367 120.605 120.300 -0.103 0.000 2.089 126 Y HA -0.306 nan 4.550 nan 0.000 0.282 126 Y C 1.786 177.595 175.900 -0.152 0.000 1.139 126 Y CA 2.108 60.145 58.100 -0.105 0.000 1.123 126 Y CB 0.069 38.495 38.460 -0.056 0.000 0.980 126 Y HN -0.606 7.761 8.280 0.145 0.000 0.493 127 I N -1.968 118.364 120.570 -0.396 0.000 2.315 127 I HA -0.539 nan 4.170 nan 0.000 0.248 127 I C 1.389 177.412 176.117 -0.157 0.000 1.117 127 I CA 3.374 64.429 61.300 -0.408 0.000 1.404 127 I CB 0.035 37.752 38.000 -0.472 0.000 1.071 127 I HN 0.287 8.290 8.210 -0.345 0.000 0.419 128 T N -0.790 113.689 114.554 -0.125 0.000 2.777 128 T HA -0.325 nan 4.350 nan 0.000 0.266 128 T C 2.182 176.867 174.700 -0.025 0.000 1.040 128 T CA 3.966 66.061 62.100 -0.010 0.000 1.141 128 T CB -0.742 68.130 68.868 0.007 0.000 0.868 128 T HN 0.067 8.209 8.240 -0.163 0.000 0.444 129 K N 1.143 121.494 120.400 -0.081 0.000 2.103 129 K HA -0.206 nan 4.320 nan 0.000 0.204 129 K C 1.983 178.456 176.600 -0.211 0.000 1.052 129 K CA 2.470 58.697 56.287 -0.100 0.000 0.945 129 K CB -0.234 32.233 32.500 -0.056 0.000 0.722 129 K HN -0.575 7.627 8.250 -0.080 0.000 0.443 130 L N -0.929 120.077 121.223 -0.361 0.000 2.012 130 L HA -0.248 nan 4.340 nan 0.000 0.210 130 L C 1.231 177.628 176.870 -0.789 0.000 1.073 130 L CA 2.976 57.413 54.840 -0.673 0.000 0.748 130 L CB 0.289 41.717 42.059 -1.052 0.000 0.891 130 L HN -0.276 7.746 8.230 -0.346 0.000 0.431 131 F N -5.759 113.993 119.950 -0.331 0.000 2.776 131 F HA 0.075 nan 4.527 nan 0.000 0.300 131 F C -0.383 175.298 175.800 -0.198 0.000 1.116 131 F CA 0.503 58.373 58.000 -0.216 0.000 1.375 131 F CB 0.299 39.253 39.000 -0.077 0.000 1.109 131 F HN -0.497 7.691 8.300 -0.187 0.000 0.585 132 N N -1.238 117.403 118.700 -0.098 0.000 2.699 132 N HA -0.406 nan 4.740 nan 0.000 0.257 132 N C -1.852 173.415 175.510 -0.405 0.000 1.077 132 N CA 0.754 53.676 53.050 -0.212 0.000 0.702 132 N CB -0.604 37.725 38.487 -0.263 0.000 0.886 132 N HN -0.310 7.845 8.380 -0.103 0.163 0.549 133 Y N -2.208 118.077 120.300 -0.025 0.000 2.581 133 Y HA 0.428 nan 4.550 nan 0.000 0.345 133 Y C 0.312 176.244 175.900 0.053 0.000 1.036 133 Y CA -1.165 56.903 58.100 -0.054 0.000 1.042 133 Y CB 2.727 41.138 38.460 -0.080 0.000 1.289 133 Y HN -0.078 8.255 8.280 0.089 0.000 0.471 134 H N 0.916 120.062 119.070 0.126 0.000 2.293 134 H HA -0.095 nan 4.556 nan 0.000 0.300 134 H C -0.417 174.938 175.328 0.045 0.000 1.082 134 H CA 2.615 58.698 56.048 0.058 0.000 1.308 134 H CB 0.879 30.671 29.762 0.049 0.000 1.375 134 H HN 0.206 8.774 8.280 0.113 -0.220 0.495 135 K N -5.261 115.248 120.400 0.182 0.000 2.439 135 K HA 0.365 nan 4.320 nan 0.000 0.260 135 K C -2.077 174.539 176.600 0.025 0.000 1.032 135 K CA -1.324 55.014 56.287 0.086 0.000 0.882 135 K CB 4.838 37.386 32.500 0.081 0.000 1.420 135 K HN -0.445 7.913 8.250 0.181 0.000 0.455 136 V N -0.015 119.902 119.914 0.005 0.000 2.925 136 V HA 0.669 nan 4.120 nan 0.000 0.311 136 V C -2.431 173.676 176.094 0.022 0.000 1.104 136 V CA -1.725 60.561 62.300 -0.023 0.000 0.954 136 V CB 2.480 34.267 31.823 -0.059 0.000 1.022 136 V HN -0.249 7.953 8.190 0.021 0.000 0.427 137 L N 7.248 128.486 121.223 0.024 0.000 2.316 137 L HA 0.744 nan 4.340 nan 0.000 0.280 137 L C -2.535 174.385 176.870 0.084 0.000 1.006 137 L CA -4.319 50.559 54.840 0.063 0.000 0.836 137 L CB 2.353 44.453 42.059 0.069 0.000 1.221 137 L HN 0.481 8.705 8.230 -0.010 0.000 0.418 138 P HA 0.475 nan 4.420 nan 0.000 0.281 138 P C -1.910 175.444 177.300 0.090 0.000 1.252 138 P CA -0.653 62.525 63.100 0.130 0.000 0.778 138 P CB 1.018 32.814 31.700 0.160 0.000 0.895 139 M N 1.610 121.264 119.600 0.091 0.000 2.846 139 M HA 0.480 nan 4.480 nan 0.000 0.282 139 M C 0.226 176.581 176.300 0.091 0.000 1.266 139 M CA -2.031 53.319 55.300 0.083 0.000 0.766 139 M CB 3.961 36.616 32.600 0.091 0.000 1.739 139 M HN 0.136 8.485 8.290 0.098 0.000 0.442 140 N N 1.457 120.209 118.700 0.086 0.000 2.523 140 N HA 0.232 nan 4.740 nan 0.000 0.209 140 N C 0.310 175.857 175.510 0.062 0.000 1.039 140 N CA 1.720 54.821 53.050 0.084 0.000 1.002 140 N CB 1.800 40.326 38.487 0.064 0.000 1.270 140 N HN 0.263 8.947 8.380 0.078 -0.257 0.481 141 T N -4.085 110.497 114.554 0.048 0.000 2.881 141 T HA 0.329 nan 4.350 nan 0.000 0.278 141 T C 1.294 176.032 174.700 0.063 0.000 0.982 141 T CA -1.345 60.782 62.100 0.044 0.000 0.989 141 T CB 2.907 71.791 68.868 0.026 0.000 1.058 141 T HN -0.675 7.813 8.240 0.047 -0.219 0.529 142 G N -0.793 108.047 108.800 0.068 0.000 2.418 142 G HA2 -0.239 nan 3.960 nan 0.000 0.217 142 G HA3 -0.239 nan 3.960 nan 0.000 0.217 142 G C 1.531 176.498 174.900 0.111 0.000 1.158 142 G CA 2.077 47.228 45.100 0.085 0.000 0.771 142 G HN 0.253 8.581 8.290 0.063 0.000 0.545 143 V N 1.970 121.937 119.914 0.088 0.000 2.392 143 V HA -0.380 nan 4.120 nan 0.000 0.249 143 V C 2.256 178.457 176.094 0.178 0.000 1.059 143 V CA 2.569 64.937 62.300 0.113 0.000 1.051 143 V CB -0.752 31.050 31.823 -0.036 0.000 0.658 143 V HN -0.048 8.174 8.190 0.053 0.000 0.455 144 E N -0.842 119.430 120.200 0.120 0.000 2.110 144 E HA -0.402 nan 4.350 nan 0.000 0.193 144 E C 2.119 178.806 176.600 0.144 0.000 0.988 144 E CA 3.106 59.587 56.400 0.135 0.000 0.804 144 E CB -0.570 29.192 29.700 0.103 0.000 0.745 144 E HN -0.420 7.982 8.360 0.086 0.009 0.458 145 A N -0.496 122.391 122.820 0.112 0.000 1.930 145 A HA -0.141 nan 4.320 nan 0.000 0.217 145 A C 2.194 179.801 177.584 0.039 0.000 1.175 145 A CA 2.833 54.908 52.037 0.064 0.000 0.627 145 A CB -0.864 18.154 19.000 0.029 0.000 0.815 145 A HN -0.514 7.586 8.150 0.106 0.114 0.443 146 G N -1.595 107.273 108.800 0.112 0.000 2.421 146 G HA2 -0.368 nan 3.960 nan 0.000 0.216 146 G HA3 -0.368 nan 3.960 nan 0.000 0.216 146 G C 1.502 176.423 174.900 0.034 0.000 1.171 146 G CA 2.043 47.156 45.100 0.022 0.000 0.775 146 G HN -0.278 8.026 8.290 0.183 0.095 0.543 147 E N 1.337 121.724 120.200 0.312 0.000 2.085 147 E HA -0.370 nan 4.350 nan 0.000 0.194 147 E C 2.702 179.353 176.600 0.084 0.000 0.994 147 E CA 3.580 60.142 56.400 0.272 0.000 0.801 147 E CB -0.341 29.515 29.700 0.260 0.000 0.743 147 E HN 0.263 8.847 8.360 0.374 0.000 0.453 148 T N 1.683 116.266 114.554 0.048 0.000 2.788 148 T HA -0.213 nan 4.350 nan 0.000 0.268 148 T C 1.789 176.419 174.700 -0.116 0.000 1.044 148 T CA 4.545 66.597 62.100 -0.080 0.000 1.139 148 T CB -0.595 68.310 68.868 0.062 0.000 0.867 148 T HN -0.065 8.234 8.240 0.109 0.007 0.454 149 A N 1.105 123.858 122.820 -0.111 0.000 1.898 149 A HA -0.217 nan 4.320 nan 0.000 0.216 149 A C 1.608 179.100 177.584 -0.153 0.000 1.181 149 A CA 3.325 55.261 52.037 -0.169 0.000 0.620 149 A CB -0.891 17.966 19.000 -0.239 0.000 0.819 149 A HN -0.134 7.877 8.150 -0.087 0.087 0.442 150 C N -1.667 117.560 119.300 -0.121 0.000 2.425 150 C HA -0.352 nan 4.460 nan 0.000 0.277 150 C C 2.284 177.287 174.990 0.021 0.000 1.280 150 C CA 4.334 63.337 59.018 -0.026 0.000 1.744 150 C CB -1.825 25.984 27.740 0.116 0.000 1.989 150 C HN 0.067 8.147 8.230 -0.125 0.074 0.491 151 K N -0.188 120.204 120.400 -0.013 0.000 2.097 151 K HA -0.267 nan 4.320 nan 0.000 0.205 151 K C 2.370 178.957 176.600 -0.022 0.000 1.050 151 K CA 3.309 59.582 56.287 -0.024 0.000 0.938 151 K CB -0.311 32.110 32.500 -0.132 0.000 0.718 151 K HN -0.234 7.915 8.250 -0.038 0.078 0.442 152 L N -0.825 120.362 121.223 -0.060 0.000 2.017 152 L HA -0.277 nan 4.340 nan 0.000 0.208 152 L C 2.088 178.977 176.870 0.030 0.000 1.073 152 L CA 2.598 57.422 54.840 -0.026 0.000 0.745 152 L CB -1.387 40.624 42.059 -0.080 0.000 0.894 152 L HN 0.045 8.142 8.230 -0.098 0.074 0.432 153 A N -1.191 121.619 122.820 -0.017 0.000 1.883 153 A HA -0.398 nan 4.320 nan 0.000 0.217 153 A C 2.338 179.971 177.584 0.081 0.000 1.186 153 A CA 3.345 55.394 52.037 0.020 0.000 0.624 153 A CB -0.755 18.212 19.000 -0.055 0.000 0.822 153 A HN 0.289 8.402 8.150 -0.061 0.000 0.444 154 R N -1.839 118.670 120.500 0.016 0.000 2.070 154 R HA -0.364 nan 4.340 nan 0.000 0.233 154 R C 2.251 178.456 176.300 -0.159 0.000 1.137 154 R CA 3.502 59.538 56.100 -0.107 0.000 0.945 154 R CB -0.108 30.223 30.300 0.053 0.000 0.845 154 R HN -0.201 8.087 8.270 0.030 0.000 0.430 155 K N -0.145 120.301 120.400 0.077 0.000 2.063 155 K HA -0.336 nan 4.320 nan 0.000 0.208 155 K C 1.975 178.651 176.600 0.127 0.000 1.048 155 K CA 3.235 59.619 56.287 0.161 0.000 0.928 155 K CB -0.395 32.193 32.500 0.147 0.000 0.713 155 K HN -0.211 8.093 8.250 0.089 0.000 0.442 156 W N -0.789 120.481 121.300 -0.050 0.000 2.381 156 W HA -0.283 nan 4.660 nan 0.000 0.301 156 W C 1.847 178.319 176.519 -0.078 0.000 1.205 156 W CA 3.847 61.165 57.345 -0.045 0.000 1.285 156 W CB 0.096 29.526 29.460 -0.050 0.000 1.133 156 W HN 0.239 8.581 8.180 0.270 0.000 0.521 157 G N -1.992 106.778 108.800 -0.050 0.000 2.440 157 G HA2 -0.459 nan 3.960 nan 0.000 0.218 157 G HA3 -0.459 nan 3.960 nan 0.000 0.218 157 G C 1.011 175.698 174.900 -0.354 0.000 1.154 157 G CA 2.421 47.342 45.100 -0.298 0.000 0.767 157 G HN 0.223 8.378 8.290 0.089 0.188 0.552 158 Y N 0.537 120.796 120.300 -0.069 0.000 2.153 158 Y HA -0.106 nan 4.550 nan 0.000 0.289 158 Y C 2.683 178.505 175.900 -0.131 0.000 1.119 158 Y CA 1.855 59.905 58.100 -0.084 0.000 1.116 158 Y CB -0.381 38.064 38.460 -0.026 0.000 1.004 158 Y HN -0.272 7.763 8.280 -0.408 0.000 0.501 159 T N -5.652 108.924 114.554 0.036 0.000 2.951 159 T HA -0.138 nan 4.350 nan 0.000 0.268 159 T C 1.016 175.625 174.700 -0.151 0.000 1.073 159 T CA 2.337 64.418 62.100 -0.032 0.000 1.134 159 T CB 0.095 68.973 68.868 0.018 0.000 0.884 159 T HN -0.051 8.230 8.240 0.069 0.000 0.479 160 V N 1.133 120.835 119.914 -0.354 0.000 2.854 160 V HA 0.074 nan 4.120 nan 0.000 0.236 160 V C 1.523 177.273 176.094 -0.573 0.000 1.157 160 V CA 1.475 63.478 62.300 -0.495 0.000 1.187 160 V CB 1.117 32.484 31.823 -0.761 0.000 0.949 160 V HN 0.009 7.844 8.190 -0.421 0.102 0.488 161 K N -0.204 119.682 120.400 -0.856 0.000 2.148 161 K HA -0.101 nan 4.320 nan 0.000 0.204 161 K C 1.007 177.436 176.600 -0.285 0.000 1.050 161 K CA 1.250 57.170 56.287 -0.612 0.000 0.942 161 K CB 0.964 33.050 32.500 -0.690 0.000 0.724 161 K HN -0.047 7.524 8.250 -1.131 0.000 0.446 162 G N -2.572 106.098 108.800 -0.217 0.000 2.144 162 G HA2 -0.372 nan 3.960 nan 0.000 0.218 162 G HA3 -0.372 nan 3.960 nan 0.000 0.218 162 G C 0.079 174.962 174.900 -0.029 0.000 0.988 162 G CA -0.254 44.788 45.100 -0.097 0.000 0.659 162 G HN -0.492 7.642 8.290 -0.261 0.000 0.522 163 I N 0.589 121.158 120.570 -0.002 0.000 2.752 163 I HA -0.285 nan 4.170 nan 0.000 0.287 163 I C -0.666 175.562 176.117 0.185 0.000 1.188 163 I CA 0.769 62.121 61.300 0.086 0.000 1.427 163 I CB 0.386 38.427 38.000 0.068 0.000 1.365 163 I HN -0.236 7.930 8.210 -0.072 0.000 0.585 164 Q N 6.134 125.993 119.800 0.098 0.000 2.364 164 Q HA -0.104 nan 4.340 nan 0.000 0.267 164 Q C 0.047 175.997 176.000 -0.083 0.000 0.999 164 Q CA 0.023 55.824 55.803 -0.003 0.000 0.886 164 Q CB 1.359 30.081 28.738 -0.027 0.000 1.243 164 Q HN 0.347 8.664 8.270 0.078 0.000 0.415 165 K N 6.056 126.212 120.400 -0.406 0.000 2.404 165 K HA -0.253 nan 4.320 nan 0.000 0.271 165 K C -0.550 175.594 176.600 -0.760 0.000 1.130 165 K CA 1.818 57.503 56.287 -1.003 0.000 1.181 165 K CB -0.851 30.966 32.500 -1.139 0.000 0.840 165 K HN 0.453 8.501 8.250 -0.336 0.000 0.483 166 Y N -3.539 116.523 120.300 -0.397 0.000 4.569 166 Y HA -0.296 nan 4.550 nan 0.000 0.237 166 Y C -0.498 175.492 175.900 0.150 0.000 1.090 166 Y CA 0.224 58.329 58.100 0.009 0.000 2.052 166 Y CB -3.139 35.284 38.460 -0.061 0.000 1.621 166 Y HN 0.375 7.881 8.280 -1.289 0.000 0.682 167 K N -3.640 116.966 120.400 0.343 0.000 2.358 167 K HA 0.072 nan 4.320 nan 0.000 0.197 167 K C -0.481 176.261 176.600 0.236 0.000 1.025 167 K CA -0.231 56.195 56.287 0.232 0.000 1.104 167 K CB 1.297 33.888 32.500 0.150 0.000 0.855 167 K HN -0.261 8.181 8.250 0.401 0.049 0.531 168 A N -0.001 123.010 122.820 0.318 0.000 2.477 168 A HA -0.049 nan 4.320 nan 0.000 0.246 168 A C -0.566 177.102 177.584 0.139 0.000 1.078 168 A CA 0.797 52.904 52.037 0.116 0.000 0.770 168 A CB 0.569 19.457 19.000 -0.186 0.000 1.011 168 A HN -0.694 7.750 8.150 0.582 0.056 0.494 169 K N 2.880 123.350 120.400 0.117 0.000 2.281 169 K HA 0.594 nan 4.320 nan 0.000 0.242 169 K C -1.442 175.248 176.600 0.150 0.000 0.971 169 K CA -1.553 54.831 56.287 0.162 0.000 0.834 169 K CB 3.873 36.456 32.500 0.137 0.000 1.181 169 K HN 0.474 8.679 8.250 0.085 0.097 0.435 170 I N 0.321 121.026 120.570 0.225 0.000 2.499 170 I HA 0.576 nan 4.170 nan 0.000 0.288 170 I C -1.470 174.633 176.117 -0.023 0.000 1.048 170 I CA -1.161 60.160 61.300 0.035 0.000 1.062 170 I CB 3.144 41.135 38.000 -0.015 0.000 1.238 170 I HN 0.165 8.601 8.210 0.376 0.000 0.426 171 V N 5.726 125.571 119.914 -0.115 0.000 2.539 171 V HA 0.674 nan 4.120 nan 0.000 0.292 171 V C -1.290 174.726 176.094 -0.129 0.000 1.045 171 V CA -0.866 61.461 62.300 0.045 0.000 0.945 171 V CB 0.622 32.509 31.823 0.106 0.000 0.993 171 V HN 0.582 8.714 8.190 -0.097 0.000 0.464 172 F N 3.353 123.432 119.950 0.214 0.000 2.593 172 F HA 0.732 nan 4.527 nan 0.000 0.320 172 F C -1.915 174.046 175.800 0.268 0.000 1.060 172 F CA -2.017 56.060 58.000 0.128 0.000 0.940 172 F CB 4.739 43.733 39.000 -0.011 0.000 1.268 172 F HN 0.976 9.536 8.300 0.433 0.000 0.475 173 A N -0.588 122.487 122.820 0.426 0.000 2.305 173 A HA 0.712 nan 4.320 nan 0.000 0.322 173 A C -1.442 176.289 177.584 0.244 0.000 1.187 173 A CA -2.197 50.080 52.037 0.400 0.000 0.825 173 A CB 1.148 20.472 19.000 0.539 0.000 1.164 173 A HN 0.657 9.001 8.150 0.323 0.000 0.498 174 A N 3.018 125.959 122.820 0.203 0.000 2.531 174 A HA -0.177 nan 4.320 nan 0.000 0.236 174 A C 0.383 178.004 177.584 0.061 0.000 1.062 174 A CA 1.189 53.297 52.037 0.119 0.000 0.760 174 A CB -0.257 18.803 19.000 0.100 0.000 0.995 174 A HN 0.512 8.797 8.150 0.226 0.000 0.501 175 G N 2.183 111.001 108.800 0.031 0.000 2.213 175 G HA2 -0.361 nan 3.960 nan 0.000 0.236 175 G HA3 -0.361 nan 3.960 nan 0.000 0.236 175 G C -1.078 173.824 174.900 0.004 0.000 0.991 175 G CA -0.253 44.836 45.100 -0.020 0.000 0.629 175 G HN 0.314 8.635 8.290 0.051 0.000 0.517 176 N N 0.064 118.789 118.700 0.041 0.000 2.416 176 N HA -0.216 nan 4.740 nan 0.000 0.246 176 N C -1.722 173.917 175.510 0.214 0.000 1.260 176 N CA 0.675 53.790 53.050 0.109 0.000 0.897 176 N CB 0.908 39.501 38.487 0.177 0.000 1.110 176 N HN -0.585 7.745 8.380 0.057 0.084 0.439 177 F N 2.234 122.240 119.950 0.094 0.000 2.689 177 F HA 0.237 nan 4.527 nan 0.000 0.332 177 F C -1.643 174.255 175.800 0.164 0.000 1.209 177 F CA -0.262 57.771 58.000 0.055 0.000 1.028 177 F CB 2.762 41.757 39.000 -0.009 0.000 1.291 177 F HN -0.044 8.689 8.300 0.281 -0.265 0.500 178 W N 4.318 125.270 121.300 -0.581 0.000 1.948 178 W HA 0.286 nan 4.660 nan 0.000 0.300 178 W C -2.112 174.122 176.519 -0.474 0.000 0.890 178 W CA -0.894 56.237 57.345 -0.357 0.000 1.799 178 W CB 1.265 30.620 29.460 -0.174 0.000 1.073 178 W HN 0.192 7.858 8.180 -0.856 0.000 0.499 179 G N -1.508 106.621 108.800 -1.118 0.000 2.357 179 G HA2 -0.162 nan 3.960 nan 0.000 0.289 179 G HA3 -0.162 nan 3.960 nan 0.000 0.289 179 G C -1.378 173.029 174.900 -0.821 0.000 1.302 179 G CA -0.364 44.268 45.100 -0.779 0.000 0.936 179 G HN -0.460 6.583 8.290 -2.078 0.000 0.513 180 R N -1.972 118.243 120.500 -0.475 0.000 2.565 180 R HA 0.250 nan 4.340 nan 0.000 0.347 180 R C -0.041 176.047 176.300 -0.355 0.000 1.010 180 R CA -0.598 55.278 56.100 -0.374 0.000 1.126 180 R CB 0.977 31.141 30.300 -0.226 0.000 1.331 180 R HN 0.282 8.332 8.270 -0.365 0.000 0.552 181 T N -1.479 112.851 114.554 -0.374 0.000 2.788 181 T HA 0.043 nan 4.350 nan 0.000 0.287 181 T C 1.105 175.652 174.700 -0.255 0.000 1.007 181 T CA -1.174 60.764 62.100 -0.271 0.000 1.005 181 T CB 1.611 70.354 68.868 -0.208 0.000 1.012 181 T HN -0.600 7.361 8.240 -0.465 0.000 0.530 182 L N -0.029 121.102 121.223 -0.152 0.000 2.129 182 L HA -0.216 nan 4.340 nan 0.000 0.212 182 L C 1.891 178.757 176.870 -0.007 0.000 1.087 182 L CA 2.606 57.405 54.840 -0.068 0.000 0.757 182 L CB -0.617 41.416 42.059 -0.044 0.000 0.896 182 L HN 0.443 8.593 8.230 -0.133 0.000 0.434 183 S N -1.604 114.082 115.700 -0.024 0.000 2.377 183 S HA -0.220 nan 4.470 nan 0.000 0.223 183 S C 1.576 176.132 174.600 -0.074 0.000 1.030 183 S CA 3.009 61.297 58.200 0.146 0.000 0.970 183 S CB -0.336 63.051 63.200 0.311 0.000 0.830 183 S HN -0.105 8.123 8.310 -0.074 0.037 0.473 184 A N 1.034 123.436 122.820 -0.697 0.000 1.902 184 A HA -0.171 nan 4.320 nan 0.000 0.217 184 A C 2.523 179.614 177.584 -0.822 0.000 1.181 184 A CA 2.768 53.886 52.037 -1.531 0.000 0.623 184 A CB -0.496 17.460 19.000 -1.740 0.000 0.818 184 A HN -0.676 7.114 8.150 -0.601 0.000 0.443 185 I N -7.708 112.603 120.570 -0.431 0.000 2.928 185 I HA -0.183 nan 4.170 nan 0.000 0.266 185 I C 1.467 177.537 176.117 -0.078 0.000 1.234 185 I CA 2.624 63.816 61.300 -0.180 0.000 1.483 185 I CB -0.323 37.671 38.000 -0.010 0.000 1.097 185 I HN 0.080 8.062 8.210 -0.381 0.000 0.455 186 S N 2.572 118.265 115.700 -0.012 0.000 2.423 186 S HA -0.158 nan 4.470 nan 0.000 0.231 186 S C 0.674 175.229 174.600 -0.076 0.000 1.014 186 S CA 3.198 61.423 58.200 0.041 0.000 0.965 186 S CB -0.456 62.929 63.200 0.308 0.000 0.785 186 S HN -0.204 7.934 8.310 -0.012 0.165 0.495 187 S N -1.933 113.645 115.700 -0.204 0.000 2.556 187 S HA 0.081 nan 4.470 nan 0.000 0.216 187 S C -0.405 174.038 174.600 -0.262 0.000 0.970 187 S CA -0.000 57.942 58.200 -0.429 0.000 0.912 187 S CB 0.565 62.940 63.200 -1.376 0.000 0.790 187 S HN -0.680 7.461 8.310 -0.249 0.020 0.504 188 S N 1.333 116.923 115.700 -0.183 0.000 2.584 188 S HA 0.003 nan 4.470 nan 0.000 0.273 188 S C 0.813 175.442 174.600 0.048 0.000 1.311 188 S CA -0.156 58.027 58.200 -0.028 0.000 1.034 188 S CB 1.074 64.305 63.200 0.051 0.000 0.939 188 S HN -0.641 7.353 8.310 -0.205 0.193 0.513 189 T N -1.434 113.192 114.554 0.120 0.000 3.085 189 T HA 0.284 nan 4.350 nan 0.000 0.264 189 T C -0.373 174.464 174.700 0.228 0.000 1.019 189 T CA -0.633 61.564 62.100 0.161 0.000 0.910 189 T CB -0.178 68.736 68.868 0.077 0.000 1.059 189 T HN -0.045 8.257 8.240 0.104 0.000 0.542 190 D N 3.399 123.920 120.400 0.202 0.000 2.359 190 D HA 0.478 nan 4.640 nan 0.000 0.230 190 D C -1.010 175.154 176.300 -0.226 0.000 1.118 190 D CA -3.354 50.678 54.000 0.054 0.000 0.844 190 D CB 1.464 42.330 40.800 0.110 0.000 1.059 190 D HN -0.505 7.929 8.370 0.222 0.069 0.493 191 P HA -0.242 nan 4.420 nan 0.000 0.217 191 P C 0.755 177.714 177.300 -0.569 0.000 1.148 191 P CA 2.060 64.660 63.100 -0.834 0.000 0.834 191 P CB 0.237 31.713 31.700 -0.373 0.000 0.783 192 T N -6.220 108.176 114.554 -0.262 0.000 2.929 192 T HA -0.183 nan 4.350 nan 0.000 0.271 192 T C 1.667 176.350 174.700 -0.029 0.000 1.085 192 T CA 3.017 65.038 62.100 -0.130 0.000 1.125 192 T CB -0.681 68.141 68.868 -0.078 0.000 0.874 192 T HN -0.369 7.964 8.240 -0.191 -0.207 0.494 193 S N 2.238 117.921 115.700 -0.029 0.000 2.470 193 S HA -0.077 nan 4.470 nan 0.000 0.222 193 S C 0.645 175.420 174.600 0.292 0.000 1.024 193 S CA 1.779 60.045 58.200 0.111 0.000 0.931 193 S CB 1.014 64.268 63.200 0.090 0.000 0.791 193 S HN -0.053 8.160 8.310 -0.114 0.028 0.513 194 Y N -2.262 118.176 120.300 0.231 0.000 2.483 194 Y HA 0.254 nan 4.550 nan 0.000 0.258 194 Y C -0.944 175.177 175.900 0.368 0.000 1.083 194 Y CA -2.726 55.582 58.100 0.347 0.000 1.283 194 Y CB 0.504 38.946 38.460 -0.030 0.000 1.178 194 Y HN -1.082 7.030 8.280 -0.279 0.000 0.515 195 D N 3.507 123.869 120.400 -0.064 0.000 2.472 195 D HA -0.210 nan 4.640 nan 0.000 0.248 195 D C 1.123 177.271 176.300 -0.253 0.000 1.174 195 D CA 2.255 56.218 54.000 -0.063 0.000 0.883 195 D CB -0.110 40.547 40.800 -0.240 0.000 1.149 195 D HN -0.104 8.006 8.370 -0.434 0.000 0.488 196 G N 3.848 112.566 108.800 -0.136 0.000 2.143 196 G HA2 -0.385 nan 3.960 nan 0.000 0.249 196 G HA3 -0.385 nan 3.960 nan 0.000 0.249 196 G C -0.311 174.320 174.900 -0.447 0.000 0.981 196 G CA 0.139 45.041 45.100 -0.330 0.000 0.665 196 G HN 0.440 8.783 8.290 0.088 0.000 0.528 197 F N 2.016 122.013 119.950 0.079 0.000 2.987 197 F HA 0.260 nan 4.527 nan 0.000 0.302 197 F C 1.052 176.717 175.800 -0.224 0.000 1.221 197 F CA -0.484 57.509 58.000 -0.011 0.000 1.307 197 F CB -0.743 38.308 39.000 0.086 0.000 1.108 197 F HN -0.310 8.035 8.300 0.148 0.044 0.521 198 G N -0.088 108.623 108.800 -0.148 0.000 2.801 198 G HA2 -0.297 nan 3.960 nan 0.000 0.244 198 G HA3 -0.297 nan 3.960 nan 0.000 0.244 198 G C -2.290 172.211 174.900 -0.665 0.000 1.385 198 G CA -1.119 43.811 45.100 -0.284 0.000 0.894 198 G HN -0.362 7.779 8.290 -0.105 0.086 0.562 199 P HA -0.001 nan 4.420 nan 0.000 0.268 199 P C -1.534 175.383 177.300 -0.639 0.000 1.208 199 P CA 0.080 62.880 63.100 -0.500 0.000 0.777 199 P CB 0.587 32.159 31.700 -0.214 0.000 0.875 200 F N -1.674 118.261 119.950 -0.026 0.000 2.450 200 F HA 0.201 nan 4.527 nan 0.000 0.328 200 F C 0.118 175.866 175.800 -0.086 0.000 1.068 200 F CA -1.678 56.297 58.000 -0.042 0.000 1.007 200 F CB 1.145 40.114 39.000 -0.051 0.000 1.251 200 F HN -0.135 8.101 8.300 -0.106 0.000 0.492 201 M N 3.562 123.207 119.600 0.075 0.000 2.268 201 M HA 0.157 nan 4.480 nan 0.000 0.349 201 M C -2.118 174.011 176.300 -0.284 0.000 1.485 201 M CA -2.564 52.637 55.300 -0.166 0.000 1.094 201 M CB 0.027 32.448 32.600 -0.297 0.000 1.843 201 M HN 0.236 8.638 8.290 0.186 0.000 0.460 202 P HA 0.104 nan 4.420 nan 0.000 0.276 202 P C -0.126 177.025 177.300 -0.248 0.000 1.252 202 P CA -0.262 62.742 63.100 -0.159 0.000 0.802 202 P CB 0.629 32.286 31.700 -0.073 0.000 1.035 203 G N -0.903 107.858 108.800 -0.066 0.000 2.157 203 G HA2 -0.326 nan 3.960 nan 0.000 0.248 203 G HA3 -0.326 nan 3.960 nan 0.000 0.248 203 G C -1.164 173.905 174.900 0.281 0.000 0.979 203 G CA 0.080 45.210 45.100 0.050 0.000 0.650 203 G HN 0.539 8.826 8.290 -0.005 0.000 0.529 204 F N -0.465 119.597 119.950 0.187 0.000 2.388 204 F HA 0.456 nan 4.527 nan 0.000 0.358 204 F C -0.974 174.962 175.800 0.226 0.000 1.122 204 F CA -3.226 54.947 58.000 0.289 0.000 1.056 204 F CB 0.468 39.595 39.000 0.213 0.000 1.155 204 F HN -0.536 7.867 8.300 0.173 0.000 0.461 205 D N 4.488 125.156 120.400 0.447 0.000 2.185 205 D HA 0.336 nan 4.640 nan 0.000 0.247 205 D C -1.585 174.895 176.300 0.300 0.000 1.027 205 D CA -0.825 53.338 54.000 0.273 0.000 0.861 205 D CB 2.780 43.685 40.800 0.174 0.000 1.202 205 D HN 0.496 9.164 8.370 0.496 0.000 0.453 206 I N 1.639 122.333 120.570 0.205 0.000 2.389 206 I HA 0.608 nan 4.170 nan 0.000 0.288 206 I C -0.546 175.658 176.117 0.144 0.000 0.999 206 I CA -0.853 60.568 61.300 0.202 0.000 1.129 206 I CB 1.994 40.074 38.000 0.135 0.000 1.288 206 I HN -0.001 8.300 8.210 0.150 0.000 0.444 207 I N 2.545 123.215 120.570 0.167 0.000 3.023 207 I HA 0.740 nan 4.170 nan 0.000 0.312 207 I C -2.630 173.574 176.117 0.146 0.000 1.056 207 I CA -3.670 57.697 61.300 0.111 0.000 1.033 207 I CB 1.656 39.685 38.000 0.048 0.000 1.233 207 I HN 0.851 9.205 8.210 0.239 0.000 0.462 208 P HA -0.001 nan 4.420 nan 0.000 0.271 208 P C -1.947 175.459 177.300 0.176 0.000 1.218 208 P CA -0.306 62.864 63.100 0.116 0.000 0.780 208 P CB 0.313 32.045 31.700 0.053 0.000 0.901 209 Y N 3.309 123.634 120.300 0.043 0.000 2.379 209 Y HA -0.262 nan 4.550 nan 0.000 0.337 209 Y C 0.276 176.080 175.900 -0.159 0.000 1.238 209 Y CA 0.195 58.307 58.100 0.021 0.000 1.405 209 Y CB 0.695 39.163 38.460 0.013 0.000 1.310 209 Y HN -0.107 8.330 8.280 0.262 0.000 0.569 210 N N 2.815 120.817 118.700 -1.163 0.000 2.725 210 N HA -0.375 nan 4.740 nan 0.000 0.251 210 N C -1.964 173.189 175.510 -0.594 0.000 1.031 210 N CA 0.831 53.007 53.050 -1.457 0.000 0.720 210 N CB -0.529 37.346 38.487 -1.020 0.000 0.930 210 N HN 0.407 7.975 8.380 -1.352 0.000 0.543 211 D N -1.258 118.996 120.400 -0.242 0.000 2.330 211 D HA 0.105 nan 4.640 nan 0.000 0.249 211 D C 0.039 176.377 176.300 0.062 0.000 1.306 211 D CA -0.933 53.038 54.000 -0.048 0.000 0.956 211 D CB 1.154 41.931 40.800 -0.037 0.000 1.261 211 D HN -0.412 7.893 8.370 -0.110 0.000 0.544 212 L N 3.375 124.652 121.223 0.089 0.000 2.046 212 L HA -0.021 nan 4.340 nan 0.000 0.208 212 L C -0.266 176.582 176.870 -0.037 0.000 1.077 212 L CA 3.655 58.514 54.840 0.031 0.000 0.747 212 L CB -2.811 39.265 42.059 0.029 0.000 0.896 212 L HN 0.478 8.757 8.230 0.082 0.000 0.432 213 P HA -0.193 nan 4.420 nan 0.000 0.216 213 P C 1.073 178.337 177.300 -0.059 0.000 1.150 213 P CA 3.252 66.329 63.100 -0.039 0.000 0.837 213 P CB -0.727 30.958 31.700 -0.026 0.000 0.786 214 A N -2.989 119.797 122.820 -0.057 0.000 1.969 214 A HA -0.161 nan 4.320 nan 0.000 0.218 214 A C 2.150 179.656 177.584 -0.131 0.000 1.169 214 A CA 2.896 54.892 52.037 -0.068 0.000 0.635 214 A CB -0.688 18.290 19.000 -0.037 0.000 0.810 214 A HN -0.407 7.968 8.150 -0.041 -0.250 0.445 215 L N -0.907 120.205 121.223 -0.185 0.000 2.005 215 L HA -0.406 nan 4.340 nan 0.000 0.207 215 L C 1.569 178.253 176.870 -0.309 0.000 1.072 215 L CA 3.163 57.796 54.840 -0.345 0.000 0.744 215 L CB -0.206 41.589 42.059 -0.439 0.000 0.895 215 L HN -0.461 7.596 8.230 -0.134 0.092 0.433 216 E N -1.026 119.039 120.200 -0.224 0.000 2.085 216 E HA -0.450 nan 4.350 nan 0.000 0.194 216 E C 1.429 177.908 176.600 -0.203 0.000 0.994 216 E CA 3.182 59.459 56.400 -0.206 0.000 0.801 216 E CB -0.251 29.401 29.700 -0.082 0.000 0.743 216 E HN -0.260 7.994 8.360 -0.175 0.000 0.453 217 R N -2.584 117.833 120.500 -0.138 0.000 2.073 217 R HA -0.236 nan 4.340 nan 0.000 0.234 217 R C 2.449 178.675 176.300 -0.123 0.000 1.134 217 R CA 2.636 58.676 56.100 -0.101 0.000 0.952 217 R CB 0.238 30.496 30.300 -0.069 0.000 0.850 217 R HN -0.499 7.693 8.270 -0.122 0.005 0.433 218 A N -0.618 122.110 122.820 -0.153 0.000 1.969 218 A HA -0.138 nan 4.320 nan 0.000 0.218 218 A C 2.188 179.662 177.584 -0.183 0.000 1.169 218 A CA 2.633 54.584 52.037 -0.143 0.000 0.635 218 A CB -0.460 18.449 19.000 -0.152 0.000 0.810 218 A HN -0.163 7.815 8.150 -0.167 0.073 0.445 219 L N -3.758 117.280 121.223 -0.310 0.000 2.675 219 L HA -0.181 nan 4.340 nan 0.000 0.239 219 L C 0.784 177.430 176.870 -0.373 0.000 1.151 219 L CA 0.413 55.002 54.840 -0.419 0.000 0.905 219 L CB -1.360 40.260 42.059 -0.732 0.000 1.057 219 L HN 0.077 8.009 8.230 -0.346 0.090 0.435 220 Q N -1.862 117.820 119.800 -0.196 0.000 2.311 220 Q HA -0.161 nan 4.340 nan 0.000 0.203 220 Q C 0.526 176.520 176.000 -0.009 0.000 0.954 220 Q CA 0.883 56.653 55.803 -0.055 0.000 0.885 220 Q CB 0.052 28.772 28.738 -0.030 0.000 0.963 220 Q HN -0.754 7.313 8.270 -0.180 0.095 0.471 221 D N 1.113 121.497 120.400 -0.027 0.000 2.338 221 D HA 0.225 nan 4.640 nan 0.000 0.255 221 D C -0.216 176.096 176.300 0.021 0.000 1.237 221 D CA -2.576 51.426 54.000 0.004 0.000 0.883 221 D CB 0.874 41.677 40.800 0.006 0.000 1.087 221 D HN -0.721 7.579 8.370 -0.061 0.033 0.485 222 P HA -0.079 nan 4.420 nan 0.000 0.236 222 P C -0.180 177.146 177.300 0.044 0.000 1.172 222 P CA 0.984 64.112 63.100 0.047 0.000 0.759 222 P CB 0.142 31.865 31.700 0.039 0.000 0.843 223 N N -0.996 117.731 118.700 0.044 0.000 2.336 223 N HA 0.043 nan 4.740 nan 0.000 0.189 223 N C -0.859 174.685 175.510 0.057 0.000 1.113 223 N CA -0.014 53.069 53.050 0.054 0.000 0.858 223 N CB 0.715 39.243 38.487 0.068 0.000 0.970 223 N HN -0.444 8.161 8.380 0.040 -0.201 0.471 224 V N 0.968 120.914 119.914 0.052 0.000 2.470 224 V HA 0.016 nan 4.120 nan 0.000 0.276 224 V C -0.867 175.277 176.094 0.082 0.000 1.040 224 V CA 0.901 63.233 62.300 0.054 0.000 1.008 224 V CB -0.680 31.154 31.823 0.018 0.000 0.990 224 V HN -0.547 7.606 8.190 0.044 0.063 0.477 225 A N 7.311 130.182 122.820 0.086 0.000 1.997 225 A HA 0.256 nan 4.320 nan 0.000 0.212 225 A C -1.590 176.064 177.584 0.116 0.000 1.178 225 A CA 1.688 53.822 52.037 0.161 0.000 0.698 225 A CB 1.559 20.627 19.000 0.112 0.000 0.842 225 A HN 1.117 9.201 8.150 0.067 0.106 0.458 226 A N -4.453 118.382 122.820 0.026 0.000 2.581 226 A HA 0.839 nan 4.320 nan 0.000 0.290 226 A C -3.149 174.424 177.584 -0.019 0.000 1.119 226 A CA -0.238 51.779 52.037 -0.033 0.000 0.670 226 A CB 3.071 21.999 19.000 -0.121 0.000 1.280 226 A HN -0.738 7.426 8.150 0.023 0.000 0.425 227 F N -0.049 119.768 119.950 -0.220 0.000 2.562 227 F HA 0.818 nan 4.527 nan 0.000 0.319 227 F C -3.019 172.627 175.800 -0.257 0.000 1.154 227 F CA -2.244 55.593 58.000 -0.271 0.000 0.931 227 F CB 4.026 42.899 39.000 -0.211 0.000 1.198 227 F HN 0.495 8.813 8.300 0.031 0.000 0.444 228 M N 8.813 127.891 119.600 -0.869 0.000 2.227 228 M HA 0.837 nan 4.480 nan 0.000 0.335 228 M C -2.557 173.238 176.300 -0.842 0.000 1.053 228 M CA -1.123 53.712 55.300 -0.776 0.000 0.973 228 M CB 2.485 34.607 32.600 -0.796 0.000 1.623 228 M HN 0.348 8.095 8.290 -0.906 0.000 0.434 229 V N 0.982 120.567 119.914 -0.548 0.000 3.049 229 V HA 0.549 nan 4.120 nan 0.000 0.309 229 V C -1.909 174.161 176.094 -0.039 0.000 1.148 229 V CA -2.537 59.591 62.300 -0.287 0.000 0.990 229 V CB 2.953 34.654 31.823 -0.203 0.000 1.039 229 V HN 0.753 8.720 8.190 -0.372 0.000 0.430 230 E N 1.377 121.609 120.200 0.053 0.000 2.197 230 E HA 0.432 nan 4.350 nan 0.000 0.281 230 E C -1.788 174.948 176.600 0.226 0.000 0.995 230 E CA -2.998 53.452 56.400 0.085 0.000 0.808 230 E CB 0.589 30.308 29.700 0.031 0.000 1.093 230 E HN 0.300 8.690 8.360 0.049 0.000 0.394 231 P HA -0.179 nan 4.420 nan 0.000 0.219 231 P C -1.494 175.989 177.300 0.305 0.000 1.146 231 P CA 1.172 64.436 63.100 0.274 0.000 0.808 231 P CB 0.431 32.255 31.700 0.206 0.000 0.779 232 I N -4.830 115.880 120.570 0.233 0.000 2.649 232 I HA 0.091 nan 4.170 nan 0.000 0.289 232 I C -1.722 174.451 176.117 0.093 0.000 1.222 232 I CA -1.719 59.698 61.300 0.195 0.000 1.046 232 I CB 3.591 41.671 38.000 0.133 0.000 1.272 232 I HN -0.871 7.408 8.210 0.179 0.039 0.425 233 Q N 6.545 126.345 119.800 -0.001 0.000 2.344 233 Q HA 0.064 nan 4.340 nan 0.000 0.253 233 Q C 0.832 176.827 176.000 -0.008 0.000 1.050 233 Q CA -0.271 55.476 55.803 -0.093 0.000 0.912 233 Q CB -0.031 28.530 28.738 -0.296 0.000 1.258 233 Q HN 0.182 8.480 8.270 0.047 0.000 0.443 234 G N 5.525 114.339 108.800 0.024 0.000 2.556 234 G HA2 -0.343 nan 3.960 nan 0.000 0.215 234 G HA3 -0.343 nan 3.960 nan 0.000 0.215 234 G C 0.988 175.889 174.900 0.002 0.000 1.258 234 G CA 2.058 47.176 45.100 0.030 0.000 0.811 234 G HN 0.071 8.529 8.290 0.038 -0.145 0.557 235 E N 1.429 121.600 120.200 -0.049 0.000 2.265 235 E HA -0.300 nan 4.350 nan 0.000 0.196 235 E C 1.229 177.851 176.600 0.036 0.000 0.996 235 E CA 2.292 58.606 56.400 -0.143 0.000 0.832 235 E CB -0.913 28.495 29.700 -0.487 0.000 0.756 235 E HN 0.303 8.646 8.360 -0.028 0.000 0.491 236 A N -4.481 118.382 122.820 0.071 0.000 2.015 236 A HA -0.100 nan 4.320 nan 0.000 0.219 236 A C 0.533 178.180 177.584 0.105 0.000 1.163 236 A CA 1.284 53.372 52.037 0.084 0.000 0.646 236 A CB 0.096 19.073 19.000 -0.038 0.000 0.806 236 A HN 0.083 8.210 8.150 0.025 0.038 0.448 237 G N -6.023 102.822 108.800 0.076 0.000 2.192 237 G HA2 -0.189 nan 3.960 nan 0.000 0.152 237 G HA3 -0.189 nan 3.960 nan 0.000 0.152 237 G C -0.885 174.032 174.900 0.029 0.000 1.057 237 G CA -0.567 44.568 45.100 0.057 0.000 0.748 237 G HN -0.463 7.713 8.290 0.047 0.143 0.488 238 V N -2.107 117.825 119.914 0.030 0.000 5.961 238 V HA -0.506 nan 4.120 nan 0.000 0.311 238 V C 0.250 176.373 176.094 0.049 0.000 0.552 238 V CA 1.073 63.397 62.300 0.040 0.000 0.641 238 V CB -2.594 29.254 31.823 0.040 0.000 0.286 238 V HN -0.167 7.933 8.190 0.029 0.107 0.939 239 V N -0.431 119.514 119.914 0.053 0.000 2.408 239 V HA 0.403 nan 4.120 nan 0.000 0.267 239 V C -1.155 175.042 176.094 0.171 0.000 1.047 239 V CA -0.667 61.688 62.300 0.092 0.000 0.937 239 V CB 0.714 32.592 31.823 0.091 0.000 0.999 239 V HN -0.369 7.839 8.190 0.029 0.000 0.472 240 V N 8.967 128.954 119.914 0.121 0.000 2.432 240 V HA 0.485 nan 4.120 nan 0.000 0.275 240 V C -1.148 174.983 176.094 0.062 0.000 1.043 240 V CA -3.091 59.274 62.300 0.109 0.000 0.925 240 V CB -0.193 31.654 31.823 0.040 0.000 0.985 240 V HN 0.479 8.716 8.190 0.079 0.000 0.466 241 P HA 0.308 nan 4.420 nan 0.000 0.274 241 P C -1.870 175.368 177.300 -0.104 0.000 1.246 241 P CA -1.009 61.962 63.100 -0.214 0.000 0.795 241 P CB 1.035 32.525 31.700 -0.351 0.000 1.006 242 D N 0.684 120.995 120.400 -0.148 0.000 2.399 242 D HA 0.187 nan 4.640 nan 0.000 0.241 242 D C -1.071 175.242 176.300 0.021 0.000 1.133 242 D CA -1.030 52.938 54.000 -0.054 0.000 0.890 242 D CB -0.968 39.794 40.800 -0.064 0.000 1.201 242 D HN -0.187 8.359 8.370 -0.280 -0.345 0.432 243 P HA -0.293 nan 4.420 nan 0.000 0.265 243 P C -0.090 177.249 177.300 0.065 0.000 1.193 243 P CA 0.300 63.428 63.100 0.047 0.000 0.765 243 P CB -0.156 31.561 31.700 0.029 0.000 0.823 244 G N 2.938 111.788 108.800 0.083 0.000 2.213 244 G HA2 -0.425 nan 3.960 nan 0.000 0.236 244 G HA3 -0.425 nan 3.960 nan 0.000 0.236 244 G C 0.550 175.505 174.900 0.091 0.000 0.991 244 G CA -0.058 45.085 45.100 0.071 0.000 0.629 244 G HN 0.220 8.937 8.290 0.090 -0.373 0.517 245 Y N 2.817 123.103 120.300 -0.023 0.000 2.114 245 Y HA -0.309 nan 4.550 nan 0.000 0.284 245 Y C 0.454 176.339 175.900 -0.025 0.000 1.143 245 Y CA 4.050 62.121 58.100 -0.049 0.000 1.135 245 Y CB 0.172 38.576 38.460 -0.094 0.000 0.980 245 Y HN -0.318 8.004 8.280 0.209 0.083 0.499 246 L N -3.031 118.134 121.223 -0.098 0.000 2.083 246 L HA -0.470 nan 4.340 nan 0.000 0.209 246 L C 2.128 178.942 176.870 -0.094 0.000 1.083 246 L CA 2.548 57.311 54.840 -0.129 0.000 0.752 246 L CB -0.471 41.660 42.059 0.119 0.000 0.899 246 L HN -0.584 7.849 8.230 0.116 -0.134 0.433 247 M N -0.634 118.950 119.600 -0.026 0.000 2.175 247 M HA -0.349 nan 4.480 nan 0.000 0.264 247 M C 2.223 178.482 176.300 -0.068 0.000 1.063 247 M CA 3.937 59.232 55.300 -0.008 0.000 1.119 247 M CB -0.166 32.446 32.600 0.021 0.000 1.377 247 M HN -0.375 8.129 8.290 0.009 -0.209 0.415 248 G N -0.939 107.794 108.800 -0.112 0.000 2.402 248 G HA2 -0.317 nan 3.960 nan 0.000 0.216 248 G HA3 -0.317 nan 3.960 nan 0.000 0.216 248 G C 0.831 175.594 174.900 -0.228 0.000 1.162 248 G CA 2.176 47.197 45.100 -0.130 0.000 0.777 248 G HN -0.147 7.997 8.290 -0.099 0.087 0.539 249 V N 4.016 123.687 119.914 -0.405 0.000 2.343 249 V HA -0.435 nan 4.120 nan 0.000 0.247 249 V C 1.936 177.730 176.094 -0.500 0.000 1.051 249 V CA 3.896 65.867 62.300 -0.549 0.000 1.036 249 V CB -0.792 30.532 31.823 -0.832 0.000 0.654 249 V HN 0.266 8.107 8.190 -0.458 0.074 0.451 250 R N -0.994 119.287 120.500 -0.365 0.000 2.073 250 R HA -0.352 nan 4.340 nan 0.000 0.234 250 R C 1.451 177.721 176.300 -0.051 0.000 1.134 250 R CA 2.605 58.650 56.100 -0.092 0.000 0.952 250 R CB -0.948 29.434 30.300 0.136 0.000 0.850 250 R HN 0.069 8.157 8.270 -0.304 0.000 0.433 251 E N -0.214 119.949 120.200 -0.062 0.000 2.051 251 E HA -0.298 nan 4.350 nan 0.000 0.192 251 E C 2.491 179.074 176.600 -0.029 0.000 0.991 251 E CA 3.075 59.455 56.400 -0.035 0.000 0.799 251 E CB -0.201 29.479 29.700 -0.034 0.000 0.748 251 E HN -0.511 7.801 8.360 -0.080 0.000 0.449 252 L N -0.901 120.289 121.223 -0.055 0.000 2.017 252 L HA -0.340 nan 4.340 nan 0.000 0.208 252 L C 2.485 179.395 176.870 0.066 0.000 1.073 252 L CA 2.969 57.814 54.840 0.007 0.000 0.745 252 L CB -0.718 41.283 42.059 -0.096 0.000 0.894 252 L HN 0.251 8.419 8.230 -0.104 0.000 0.432 253 C N -1.542 117.733 119.300 -0.042 0.000 2.432 253 C HA -0.423 nan 4.460 nan 0.000 0.277 253 C C 2.337 177.362 174.990 0.057 0.000 1.249 253 C CA 4.706 63.726 59.018 0.002 0.000 1.725 253 C CB -1.936 25.787 27.740 -0.028 0.000 2.028 253 C HN 0.281 8.434 8.230 -0.128 0.000 0.477 254 T N 2.191 116.767 114.554 0.036 0.000 2.720 254 T HA -0.359 nan 4.350 nan 0.000 0.268 254 T C 2.265 176.976 174.700 0.020 0.000 1.037 254 T CA 4.538 66.659 62.100 0.035 0.000 1.144 254 T CB -0.590 68.292 68.868 0.024 0.000 0.864 254 T HN 0.087 8.338 8.240 0.018 0.000 0.444 255 R N 0.886 121.381 120.500 -0.008 0.000 2.120 255 R HA -0.266 nan 4.340 nan 0.000 0.234 255 R C 1.240 177.407 176.300 -0.222 0.000 1.123 255 R CA 2.587 58.616 56.100 -0.118 0.000 0.975 255 R CB 0.083 30.281 30.300 -0.170 0.000 0.866 255 R HN -0.120 8.156 8.270 0.009 0.000 0.446 256 H N -3.504 115.564 119.070 -0.003 0.000 2.505 256 H HA 0.241 nan 4.556 nan 0.000 0.289 256 H C -1.963 173.394 175.328 0.049 0.000 1.052 256 H CA -1.012 55.041 56.048 0.009 0.000 1.156 256 H CB -0.250 29.504 29.762 -0.014 0.000 1.507 256 H HN -0.743 7.489 8.280 0.148 0.137 0.548 257 Q N -1.429 118.455 119.800 0.141 0.000 2.451 257 Q HA -0.476 nan 4.340 nan 0.000 0.305 257 Q C -1.977 174.188 176.000 0.275 0.000 1.345 257 Q CA 0.762 56.685 55.803 0.200 0.000 0.854 257 Q CB -1.437 27.411 28.738 0.183 0.000 1.162 257 Q HN -0.524 7.625 8.270 0.090 0.175 0.440 258 V N -2.102 117.915 119.914 0.171 0.000 2.680 258 V HA 0.448 nan 4.120 nan 0.000 0.309 258 V C -0.735 175.351 176.094 -0.013 0.000 1.052 258 V CA -1.553 60.819 62.300 0.119 0.000 0.908 258 V CB 2.516 34.388 31.823 0.081 0.000 1.001 258 V HN -0.293 7.976 8.190 0.132 0.000 0.431 259 L N 3.619 124.758 121.223 -0.139 0.000 2.367 259 L HA 0.211 nan 4.340 nan 0.000 0.275 259 L C -0.906 175.952 176.870 -0.019 0.000 1.129 259 L CA -0.316 54.385 54.840 -0.232 0.000 0.839 259 L CB 0.704 42.495 42.059 -0.448 0.000 1.133 259 L HN 0.469 8.541 8.230 -0.093 0.102 0.453 260 F N 6.429 126.273 119.950 -0.176 0.000 2.350 260 F HA 0.513 nan 4.527 nan 0.000 0.365 260 F C -1.705 173.971 175.800 -0.205 0.000 1.122 260 F CA -3.573 54.349 58.000 -0.131 0.000 1.139 260 F CB 0.188 39.140 39.000 -0.080 0.000 1.220 260 F HN 0.357 9.059 8.300 0.055 -0.369 0.499 261 I N 8.798 129.394 120.570 0.043 0.000 2.312 261 I HA 0.260 nan 4.170 nan 0.000 0.290 261 I C -2.169 173.796 176.117 -0.255 0.000 1.008 261 I CA -1.052 60.103 61.300 -0.242 0.000 1.226 261 I CB 1.015 38.833 38.000 -0.303 0.000 1.371 261 I HN 0.951 9.235 8.210 0.124 0.000 0.468 262 A N 8.633 131.209 122.820 -0.406 0.000 2.249 262 A HA 0.367 nan 4.320 nan 0.000 0.314 262 A C -2.311 175.141 177.584 -0.219 0.000 1.290 262 A CA -1.950 49.909 52.037 -0.298 0.000 0.893 262 A CB 1.213 19.956 19.000 -0.428 0.000 1.165 262 A HN 0.812 8.667 8.150 -0.492 0.000 0.530 263 D N 4.911 125.224 120.400 -0.145 0.000 2.422 263 D HA -0.016 nan 4.640 nan 0.000 0.227 263 D C 0.003 176.277 176.300 -0.044 0.000 1.190 263 D CA -0.759 53.178 54.000 -0.106 0.000 0.905 263 D CB 0.555 41.308 40.800 -0.079 0.000 1.034 263 D HN 0.251 8.443 8.370 -0.118 0.107 0.507 264 E N 4.944 125.106 120.200 -0.062 0.000 2.496 264 E HA 0.177 nan 4.350 nan 0.000 0.200 264 E C 1.384 177.986 176.600 0.004 0.000 1.016 264 E CA -1.154 55.235 56.400 -0.018 0.000 0.962 264 E CB -0.257 29.415 29.700 -0.048 0.000 1.071 264 E HN -0.233 8.061 8.360 -0.109 0.000 0.457 265 I N 0.767 121.346 120.570 0.014 0.000 2.361 265 I HA -0.523 nan 4.170 nan 0.000 0.251 265 I C 0.254 176.414 176.117 0.071 0.000 1.133 265 I CA 4.525 65.850 61.300 0.041 0.000 1.413 265 I CB -0.111 37.926 38.000 0.062 0.000 1.073 265 I HN -0.516 7.887 8.210 0.006 -0.190 0.424 266 Q N -3.904 115.944 119.800 0.080 0.000 2.391 266 Q HA -0.025 nan 4.340 nan 0.000 0.243 266 Q C 1.199 177.251 176.000 0.088 0.000 0.874 266 Q CA 2.047 57.904 55.803 0.091 0.000 0.950 266 Q CB 1.072 29.869 28.738 0.099 0.000 1.103 266 Q HN 0.056 8.350 8.270 0.076 0.021 0.544 267 T N -4.344 110.264 114.554 0.089 0.000 3.051 267 T HA 0.149 nan 4.350 nan 0.000 0.255 267 T C 0.873 175.643 174.700 0.116 0.000 1.085 267 T CA 0.847 63.009 62.100 0.103 0.000 1.109 267 T CB 0.042 68.979 68.868 0.115 0.000 0.921 267 T HN 0.185 8.474 8.240 0.082 0.000 0.488 268 G N 0.603 109.468 108.800 0.108 0.000 2.588 268 G HA2 0.308 nan 3.960 nan 0.000 0.278 268 G HA3 0.308 nan 3.960 nan 0.000 0.278 268 G C -0.534 174.471 174.900 0.175 0.000 1.307 268 G CA -1.410 43.778 45.100 0.146 0.000 1.016 268 G HN -0.589 7.656 8.290 0.086 0.097 0.503 269 L N -2.144 119.257 121.223 0.297 0.000 3.664 269 L HA -0.562 nan 4.340 nan 0.000 0.560 269 L C -0.623 176.287 176.870 0.068 0.000 1.285 269 L CA 0.282 55.309 54.840 0.310 0.000 0.864 269 L CB -2.536 39.689 42.059 0.277 0.000 1.512 269 L HN 0.245 8.716 8.230 0.402 0.000 0.853 270 A N -4.923 117.870 122.820 -0.044 0.000 4.284 270 A HA -0.471 nan 4.320 nan 0.000 0.264 270 A C 1.369 178.926 177.584 -0.044 0.000 0.856 270 A CA 1.869 53.812 52.037 -0.156 0.000 1.165 270 A CB -0.747 18.080 19.000 -0.289 0.000 1.059 270 A HN -0.033 8.139 8.150 0.036 0.000 0.803 271 R N -0.374 120.136 120.500 0.016 0.000 2.113 271 R HA -0.371 nan 4.340 nan 0.000 0.244 271 R C 1.164 177.500 176.300 0.060 0.000 1.142 271 R CA 3.167 59.287 56.100 0.034 0.000 0.953 271 R CB -0.005 30.329 30.300 0.056 0.000 0.860 271 R HN -0.239 7.951 8.270 0.039 0.104 0.438 272 T N -8.922 105.699 114.554 0.111 0.000 3.081 272 T HA 0.146 nan 4.350 nan 0.000 0.255 272 T C 0.806 175.657 174.700 0.252 0.000 1.113 272 T CA 0.553 62.761 62.100 0.181 0.000 1.082 272 T CB 0.050 69.076 68.868 0.264 0.000 0.939 272 T HN -0.484 7.826 8.240 0.117 0.000 0.506 273 G N 1.452 110.336 108.800 0.139 0.000 2.205 273 G HA2 -0.215 nan 3.960 nan 0.000 0.180 273 G HA3 -0.215 nan 3.960 nan 0.000 0.180 273 G C -0.941 173.914 174.900 -0.074 0.000 1.004 273 G CA -0.290 44.864 45.100 0.090 0.000 0.670 273 G HN -0.191 7.970 8.290 0.069 0.170 0.496 274 R N -2.385 118.053 120.500 -0.102 0.000 2.795 274 R HA 0.328 nan 4.340 nan 0.000 0.268 274 R C -0.551 175.713 176.300 -0.060 0.000 1.041 274 R CA -2.409 53.583 56.100 -0.180 0.000 0.927 274 R CB 1.959 32.077 30.300 -0.303 0.000 1.235 274 R HN -0.900 7.374 8.270 0.006 0.000 0.463 275 W N -0.518 120.772 121.300 -0.017 0.000 2.363 275 W HA -0.224 nan 4.660 nan 0.000 0.296 275 W C -0.372 176.236 176.519 0.148 0.000 1.212 275 W CA 2.986 60.369 57.345 0.064 0.000 1.260 275 W CB 0.834 30.306 29.460 0.021 0.000 1.131 275 W HN 0.405 8.652 8.180 0.113 0.000 0.530 276 L N -5.985 115.444 121.223 0.344 0.000 2.431 276 L HA 0.265 nan 4.340 nan 0.000 0.266 276 L C 0.095 177.074 176.870 0.181 0.000 0.978 276 L CA -1.879 53.108 54.840 0.244 0.000 0.822 276 L CB 2.560 44.752 42.059 0.221 0.000 1.310 276 L HN -0.642 7.938 8.230 0.270 -0.188 0.409 277 A N 4.977 127.920 122.820 0.205 0.000 1.978 277 A HA -0.195 nan 4.320 nan 0.000 0.220 277 A C 1.909 179.678 177.584 0.309 0.000 1.170 277 A CA 3.382 55.602 52.037 0.305 0.000 0.636 277 A CB -0.367 18.782 19.000 0.248 0.000 0.810 277 A HN 0.517 9.001 8.150 0.182 -0.225 0.448 278 V N -1.663 118.370 119.914 0.198 0.000 2.688 278 V HA -0.410 nan 4.120 nan 0.000 0.256 278 V C 1.347 177.532 176.094 0.153 0.000 1.084 278 V CA 3.468 65.870 62.300 0.169 0.000 1.103 278 V CB -0.755 31.119 31.823 0.084 0.000 0.688 278 V HN -0.222 8.317 8.190 0.160 -0.253 0.480 279 D N -0.189 120.278 120.400 0.112 0.000 2.263 279 D HA -0.209 nan 4.640 nan 0.000 0.208 279 D C 2.945 179.251 176.300 0.011 0.000 0.971 279 D CA 3.036 57.056 54.000 0.035 0.000 0.867 279 D CB -0.482 40.307 40.800 -0.018 0.000 0.929 279 D HN 0.026 8.289 8.370 0.123 0.181 0.492 280 Y N -1.129 119.219 120.300 0.080 0.000 2.333 280 Y HA -0.272 nan 4.550 nan 0.000 0.290 280 Y C 1.188 177.127 175.900 0.064 0.000 1.144 280 Y CA 2.715 60.856 58.100 0.069 0.000 1.228 280 Y CB 0.091 38.594 38.460 0.072 0.000 0.985 280 Y HN -0.484 7.909 8.280 0.247 0.035 0.542 281 E N -4.500 115.827 120.200 0.213 0.000 2.538 281 E HA 0.064 nan 4.350 nan 0.000 0.207 281 E C -0.783 175.878 176.600 0.102 0.000 1.002 281 E CA -0.753 55.734 56.400 0.146 0.000 0.952 281 E CB 0.838 30.623 29.700 0.142 0.000 1.031 281 E HN -0.682 7.782 8.360 0.221 0.028 0.476 282 N N 0.183 118.935 118.700 0.087 0.000 2.721 282 N HA -0.332 nan 4.740 nan 0.000 0.249 282 N C -0.532 175.011 175.510 0.056 0.000 1.072 282 N CA 1.093 54.176 53.050 0.055 0.000 0.710 282 N CB -0.878 37.633 38.487 0.039 0.000 0.993 282 N HN -0.381 7.841 8.380 0.094 0.214 0.547 283 V N -6.553 113.410 119.914 0.081 0.000 2.612 283 V HA 0.255 nan 4.120 nan 0.000 0.301 283 V C -1.523 174.600 176.094 0.048 0.000 1.046 283 V CA -2.059 60.297 62.300 0.093 0.000 0.946 283 V CB 1.088 33.022 31.823 0.185 0.000 1.003 283 V HN -0.806 7.431 8.190 0.098 0.011 0.459 284 R N 3.606 124.123 120.500 0.028 0.000 2.272 284 R HA 0.512 nan 4.340 nan 0.000 0.323 284 R C -1.702 174.561 176.300 -0.061 0.000 1.002 284 R CA -3.407 52.679 56.100 -0.023 0.000 0.900 284 R CB 1.458 31.723 30.300 -0.059 0.000 1.151 284 R HN 0.331 8.635 8.270 0.057 0.000 0.507 285 P HA -0.018 nan 4.420 nan 0.000 0.271 285 P C -1.380 175.787 177.300 -0.221 0.000 1.233 285 P CA -0.118 62.632 63.100 -0.582 0.000 0.789 285 P CB 0.766 31.934 31.700 -0.886 0.000 0.951 286 D N -1.236 119.016 120.400 -0.247 0.000 2.213 286 D HA 0.071 nan 4.640 nan 0.000 0.205 286 D C -0.253 175.872 176.300 -0.292 0.000 0.961 286 D CA 2.759 56.646 54.000 -0.188 0.000 0.853 286 D CB 1.306 41.969 40.800 -0.228 0.000 0.967 286 D HN 0.132 8.222 8.370 -0.301 0.099 0.496 287 I N -3.439 116.896 120.570 -0.391 0.000 2.569 287 I HA 0.317 nan 4.170 nan 0.000 0.290 287 I C -2.347 173.470 176.117 -0.501 0.000 1.088 287 I CA -0.698 60.325 61.300 -0.462 0.000 1.047 287 I CB 4.041 41.825 38.000 -0.360 0.000 1.237 287 I HN -0.556 7.413 8.210 -0.401 0.000 0.421 288 V N 5.784 125.349 119.914 -0.582 0.000 2.495 288 V HA 0.760 nan 4.120 nan 0.000 0.298 288 V C -1.289 174.573 176.094 -0.386 0.000 1.031 288 V CA -1.485 60.529 62.300 -0.477 0.000 0.871 288 V CB 2.125 33.642 31.823 -0.509 0.000 0.988 288 V HN 0.376 8.144 8.190 -0.704 0.000 0.432 289 L N 5.440 126.490 121.223 -0.288 0.000 2.307 289 L HA 0.879 nan 4.340 nan 0.000 0.284 289 L C -1.173 175.593 176.870 -0.173 0.000 1.023 289 L CA -1.026 53.690 54.840 -0.207 0.000 0.810 289 L CB 0.989 42.955 42.059 -0.155 0.000 1.231 289 L HN 0.145 8.213 8.230 -0.271 0.000 0.423 290 L N 0.982 122.117 121.223 -0.148 0.000 2.354 290 L HA 0.519 nan 4.340 nan 0.000 0.264 290 L C -1.158 175.701 176.870 -0.018 0.000 1.008 290 L CA -1.254 53.524 54.840 -0.104 0.000 0.819 290 L CB 3.439 45.390 42.059 -0.180 0.000 1.339 290 L HN 0.744 8.892 8.230 -0.138 0.000 0.420 291 G N -2.418 106.396 108.800 0.025 0.000 2.529 291 G HA2 0.100 nan 3.960 nan 0.000 0.238 291 G HA3 0.100 nan 3.960 nan 0.000 0.238 291 G C -0.854 174.091 174.900 0.074 0.000 1.207 291 G CA -0.075 45.059 45.100 0.057 0.000 0.928 291 G HN -0.311 7.996 8.290 0.028 0.000 0.495 292 K N 0.362 120.810 120.400 0.080 0.000 6.244 292 K HA -0.562 nan 4.320 nan 0.000 0.320 292 K C 1.683 178.331 176.600 0.080 0.000 0.632 292 K CA 3.170 59.508 56.287 0.084 0.000 1.101 292 K CB -0.837 31.718 32.500 0.092 0.000 0.782 292 K HN 0.475 8.773 8.250 0.079 0.000 0.907 293 A N -1.635 121.233 122.820 0.081 0.000 2.239 293 A HA -0.006 nan 4.320 nan 0.000 0.209 293 A C 2.244 179.891 177.584 0.106 0.000 1.171 293 A CA 1.657 53.742 52.037 0.079 0.000 0.768 293 A CB -0.686 18.358 19.000 0.074 0.000 0.790 293 A HN 0.132 8.331 8.150 0.083 0.000 0.478 294 L N -2.200 119.093 121.223 0.117 0.000 2.450 294 L HA -0.255 nan 4.340 nan 0.000 0.224 294 L C -0.013 176.934 176.870 0.128 0.000 1.149 294 L CA 1.869 56.794 54.840 0.143 0.000 0.816 294 L CB -0.112 42.026 42.059 0.133 0.000 0.932 294 L HN -0.332 7.767 8.230 0.104 0.194 0.449 295 S N -7.253 108.511 115.700 0.107 0.000 2.733 295 S HA 0.096 nan 4.470 nan 0.000 0.247 295 S C 1.142 175.796 174.600 0.089 0.000 1.043 295 S CA -0.238 58.023 58.200 0.102 0.000 1.066 295 S CB 2.169 65.448 63.200 0.132 0.000 1.045 295 S HN -0.843 7.469 8.310 0.100 0.058 0.586 296 G N 2.741 111.584 108.800 0.071 0.000 2.155 296 G HA2 -0.377 nan 3.960 nan 0.000 0.257 296 G HA3 -0.377 nan 3.960 nan 0.000 0.257 296 G C -0.384 174.537 174.900 0.035 0.000 0.983 296 G CA 0.704 45.831 45.100 0.045 0.000 0.676 296 G HN -0.282 7.915 8.290 0.076 0.139 0.528 297 G N -3.336 105.492 108.800 0.048 0.000 2.157 297 G HA2 -0.300 nan 3.960 nan 0.000 0.248 297 G HA3 -0.300 nan 3.960 nan 0.000 0.248 297 G C 0.216 175.155 174.900 0.065 0.000 0.979 297 G CA 0.282 45.405 45.100 0.038 0.000 0.650 297 G HN -0.437 7.840 8.290 0.065 0.053 0.529 298 L N -1.616 119.666 121.223 0.100 0.000 2.554 298 L HA 0.182 nan 4.340 nan 0.000 0.225 298 L C -0.786 176.199 176.870 0.192 0.000 1.104 298 L CA 0.603 55.521 54.840 0.129 0.000 0.866 298 L CB 0.961 43.102 42.059 0.137 0.000 1.047 298 L HN -0.574 7.667 8.230 0.103 0.051 0.468 299 Y N -2.037 118.275 120.300 0.020 0.000 2.521 299 Y HA 0.159 nan 4.550 nan 0.000 0.326 299 Y C -3.091 172.811 175.900 0.003 0.000 1.176 299 Y CA -2.252 55.852 58.100 0.007 0.000 1.079 299 Y CB 2.839 41.303 38.460 0.007 0.000 1.341 299 Y HN -0.714 7.672 8.280 0.177 0.000 0.456 300 P HA 0.090 nan 4.420 nan 0.000 0.274 300 P C -1.969 175.429 177.300 0.163 0.000 1.291 300 P CA -0.047 63.056 63.100 0.004 0.000 0.815 300 P CB -0.536 31.087 31.700 -0.129 0.000 0.897 301 V N 5.486 125.492 119.914 0.153 0.000 2.638 301 V HA 0.265 nan 4.120 nan 0.000 0.306 301 V C -1.862 174.289 176.094 0.095 0.000 1.052 301 V CA -1.531 60.847 62.300 0.130 0.000 0.885 301 V CB 2.162 34.038 31.823 0.089 0.000 0.999 301 V HN -0.326 7.938 8.190 0.124 0.000 0.424 302 S N 4.546 120.298 115.700 0.087 0.000 2.661 302 S HA 0.885 nan 4.470 nan 0.000 0.285 302 S C -2.021 172.626 174.600 0.077 0.000 1.138 302 S CA -1.820 56.424 58.200 0.073 0.000 0.855 302 S CB 3.540 66.779 63.200 0.064 0.000 1.136 302 S HN 0.555 8.819 8.310 0.090 0.100 0.484 303 A N -2.026 120.817 122.820 0.037 0.000 2.604 303 A HA 0.798 nan 4.320 nan 0.000 0.295 303 A C -3.233 174.310 177.584 -0.069 0.000 1.067 303 A CA -0.386 51.664 52.037 0.020 0.000 0.683 303 A CB 3.563 22.596 19.000 0.055 0.000 1.281 303 A HN 0.535 8.690 8.150 0.009 0.000 0.407 304 V N -0.472 119.393 119.914 -0.082 0.000 2.531 304 V HA 0.960 nan 4.120 nan 0.000 0.301 304 V C -2.516 173.452 176.094 -0.209 0.000 1.034 304 V CA -2.187 60.017 62.300 -0.161 0.000 0.865 304 V CB 2.246 33.995 31.823 -0.122 0.000 0.995 304 V HN 0.088 8.256 8.190 -0.035 0.000 0.424 305 L N 8.067 129.074 121.223 -0.361 0.000 2.334 305 L HA 0.985 nan 4.340 nan 0.000 0.276 305 L C -1.449 175.036 176.870 -0.642 0.000 1.014 305 L CA -1.158 53.414 54.840 -0.445 0.000 0.815 305 L CB 3.020 44.750 42.059 -0.547 0.000 1.268 305 L HN 0.452 8.427 8.230 -0.424 0.000 0.428 306 C N -1.423 117.646 119.300 -0.386 0.000 3.231 306 C HA 0.467 nan 4.460 nan 0.000 0.343 306 C C -1.569 173.412 174.990 -0.014 0.000 1.349 306 C CA -1.528 57.334 59.018 -0.261 0.000 1.209 306 C CB 2.685 30.270 27.740 -0.258 0.000 1.475 306 C HN 0.411 8.525 8.230 -0.193 0.000 0.460 307 D N 0.311 120.698 120.400 -0.022 0.000 2.377 307 D HA 0.107 nan 4.640 nan 0.000 0.245 307 D C 0.915 177.257 176.300 0.070 0.000 1.196 307 D CA -0.180 53.755 54.000 -0.109 0.000 0.962 307 D CB 1.004 41.592 40.800 -0.355 0.000 1.127 307 D HN 0.339 8.689 8.370 -0.033 0.000 0.471 308 D N 0.518 121.081 120.400 0.270 0.000 2.116 308 D HA -0.372 nan 4.640 nan 0.000 0.193 308 D C 1.449 177.840 176.300 0.151 0.000 0.998 308 D CA 3.973 58.105 54.000 0.221 0.000 0.836 308 D CB -0.323 40.627 40.800 0.249 0.000 0.951 308 D HN 0.537 9.262 8.370 0.591 0.000 0.449 309 D N -3.010 117.480 120.400 0.151 0.000 2.265 309 D HA -0.235 nan 4.640 nan 0.000 0.208 309 D C 0.606 177.042 176.300 0.227 0.000 0.977 309 D CA 2.528 56.634 54.000 0.177 0.000 0.871 309 D CB -0.746 40.166 40.800 0.187 0.000 0.925 309 D HN 0.289 8.751 8.370 0.153 0.000 0.485 310 I N -2.430 118.205 120.570 0.110 0.000 2.947 310 I HA -0.112 nan 4.170 nan 0.000 0.263 310 I C 1.135 177.295 176.117 0.070 0.000 1.130 310 I CA 1.044 62.379 61.300 0.059 0.000 1.448 310 I CB 0.855 38.741 38.000 -0.191 0.000 1.222 310 I HN -0.725 7.478 8.210 0.060 0.043 0.453 311 M N 0.752 120.377 119.600 0.042 0.000 2.117 311 M HA -0.302 nan 4.480 nan 0.000 0.262 311 M C 1.985 178.329 176.300 0.073 0.000 1.065 311 M CA 2.947 58.274 55.300 0.044 0.000 1.114 311 M CB 0.107 32.734 32.600 0.045 0.000 1.361 311 M HN -0.223 8.087 8.290 0.034 0.000 0.408 312 L N -2.994 118.285 121.223 0.092 0.000 2.610 312 L HA -0.174 nan 4.340 nan 0.000 0.232 312 L C 1.013 177.939 176.870 0.094 0.000 1.149 312 L CA 1.168 56.062 54.840 0.089 0.000 0.872 312 L CB -1.142 40.970 42.059 0.088 0.000 0.992 312 L HN 0.179 8.362 8.230 0.102 0.108 0.447 313 T N -4.613 110.009 114.554 0.113 0.000 2.995 313 T HA -0.180 nan 4.350 nan 0.000 0.269 313 T C 0.714 175.471 174.700 0.095 0.000 1.091 313 T CA 1.691 63.861 62.100 0.116 0.000 1.128 313 T CB 0.337 69.303 68.868 0.163 0.000 0.891 313 T HN -0.497 7.739 8.240 0.120 0.077 0.492 314 I N 2.626 123.248 120.570 0.086 0.000 2.304 314 I HA -0.011 nan 4.170 nan 0.000 0.291 314 I C -0.770 175.394 176.117 0.078 0.000 1.018 314 I CA -0.094 61.255 61.300 0.082 0.000 1.260 314 I CB 0.653 38.700 38.000 0.079 0.000 1.390 314 I HN -0.747 7.479 8.210 0.085 0.035 0.475 315 K N 9.289 129.733 120.400 0.073 0.000 2.109 315 K HA 0.432 nan 4.320 nan 0.000 0.243 315 K C -2.284 174.350 176.600 0.056 0.000 1.006 315 K CA -3.181 53.142 56.287 0.061 0.000 0.917 315 K CB -0.073 32.459 32.500 0.053 0.000 1.081 315 K HN -0.028 8.587 8.250 0.075 -0.320 0.468 316 P HA -0.262 nan 4.420 nan 0.000 0.262 316 P C 0.092 177.407 177.300 0.026 0.000 1.182 316 P CA 1.463 64.580 63.100 0.029 0.000 0.761 316 P CB -0.164 31.550 31.700 0.022 0.000 0.795 317 G N 4.384 113.195 108.800 0.017 0.000 2.199 317 G HA2 -0.400 nan 3.960 nan 0.000 0.254 317 G HA3 -0.400 nan 3.960 nan 0.000 0.254 317 G C 0.502 175.427 174.900 0.040 0.000 0.982 317 G CA 0.355 45.463 45.100 0.014 0.000 0.632 317 G HN 0.458 8.754 8.290 0.010 0.000 0.529 318 E N -0.778 119.464 120.200 0.069 0.000 2.489 318 E HA -0.084 nan 4.350 nan 0.000 0.193 318 E C -1.171 175.538 176.600 0.181 0.000 1.057 318 E CA 0.362 56.822 56.400 0.101 0.000 0.866 318 E CB 0.614 30.371 29.700 0.095 0.000 0.916 318 E HN -0.337 7.985 8.360 0.066 0.078 0.500 319 H N -3.570 115.513 119.070 0.022 0.000 3.114 319 H HA 0.067 nan 4.556 nan 0.000 0.325 319 H C -1.880 173.455 175.328 0.013 0.000 1.206 319 H CA -0.339 55.723 56.048 0.024 0.000 1.316 319 H CB 2.776 32.558 29.762 0.033 0.000 1.981 319 H HN -0.418 7.866 8.280 0.112 0.063 0.527 320 G N 2.475 110.940 108.800 -0.558 0.000 2.490 320 G HA2 0.321 nan 3.960 nan 0.000 0.308 320 G HA3 0.321 nan 3.960 nan 0.000 0.308 320 G C -2.274 172.420 174.900 -0.343 0.000 1.286 320 G CA 0.092 44.962 45.100 -0.384 0.000 0.825 320 G HN -0.027 7.869 8.290 -0.657 0.000 0.479 321 S N -1.221 114.376 115.700 -0.171 0.000 2.579 321 S HA 0.234 nan 4.470 nan 0.000 0.290 321 S C 0.523 175.101 174.600 -0.037 0.000 1.123 321 S CA -0.600 57.554 58.200 -0.077 0.000 0.894 321 S CB 1.668 64.841 63.200 -0.045 0.000 1.095 321 S HN 0.022 8.245 8.310 -0.147 0.000 0.450 322 T N 7.016 121.573 114.554 0.006 0.000 2.614 322 T HA -0.008 nan 4.350 nan 0.000 0.263 322 T C 1.236 175.895 174.700 -0.069 0.000 1.055 322 T CA 2.742 64.820 62.100 -0.037 0.000 1.162 322 T CB 0.097 68.969 68.868 0.006 0.000 0.863 322 T HN 0.526 8.784 8.240 0.031 0.000 0.414 323 Y N -2.069 118.236 120.300 0.009 0.000 2.546 323 Y HA -0.010 nan 4.550 nan 0.000 0.287 323 Y C -0.236 175.692 175.900 0.048 0.000 1.158 323 Y CA -0.556 57.572 58.100 0.047 0.000 1.307 323 Y CB 0.046 38.555 38.460 0.082 0.000 1.036 323 Y HN 0.018 8.527 8.280 0.382 0.000 0.532 324 G N -1.245 107.639 108.800 0.140 0.000 2.255 324 G HA2 -0.230 nan 3.960 nan 0.000 0.267 324 G HA3 -0.230 nan 3.960 nan 0.000 0.267 324 G C -0.255 174.675 174.900 0.050 0.000 1.177 324 G CA 1.151 46.302 45.100 0.086 0.000 1.027 324 G HN -0.833 7.375 8.290 0.114 0.151 0.437 325 G N 4.204 113.035 108.800 0.052 0.000 2.132 325 G HA2 -0.394 nan 3.960 nan 0.000 0.234 325 G HA3 -0.394 nan 3.960 nan 0.000 0.234 325 G C -0.992 173.907 174.900 -0.002 0.000 0.989 325 G CA -0.136 44.978 45.100 0.023 0.000 0.676 325 G HN -0.003 8.327 8.290 0.067 0.000 0.522 326 N N 0.527 119.232 118.700 0.007 0.000 2.453 326 N HA 0.128 nan 4.740 nan 0.000 0.253 326 N C -0.829 174.639 175.510 -0.070 0.000 1.252 326 N CA -1.568 51.476 53.050 -0.010 0.000 0.917 326 N CB -0.281 38.240 38.487 0.057 0.000 1.117 326 N HN -0.645 7.769 8.380 0.056 0.000 0.442 327 P HA -0.343 nan 4.420 nan 0.000 0.215 327 P C 1.024 178.251 177.300 -0.122 0.000 1.157 327 P CA 2.810 65.877 63.100 -0.055 0.000 0.874 327 P CB 0.007 31.699 31.700 -0.014 0.000 0.790 328 L N -2.260 118.866 121.223 -0.161 0.000 1.994 328 L HA -0.282 nan 4.340 nan 0.000 0.208 328 L C 1.799 178.374 176.870 -0.490 0.000 1.071 328 L CA 2.940 57.624 54.840 -0.261 0.000 0.745 328 L CB -0.805 41.123 42.059 -0.218 0.000 0.892 328 L HN -0.603 7.617 8.230 -0.111 -0.057 0.431 329 G N -2.723 105.614 108.800 -0.770 0.000 2.432 329 G HA2 -0.374 nan 3.960 nan 0.000 0.219 329 G HA3 -0.374 nan 3.960 nan 0.000 0.219 329 G C 1.142 175.784 174.900 -0.431 0.000 1.135 329 G CA 2.360 46.984 45.100 -0.793 0.000 0.767 329 G HN 0.352 8.657 8.290 -0.683 -0.425 0.550 330 C N 1.967 121.043 119.300 -0.373 0.000 2.440 330 C HA -0.181 nan 4.460 nan 0.000 0.278 330 C C 2.312 177.186 174.990 -0.193 0.000 1.295 330 C CA 3.165 61.942 59.018 -0.402 0.000 1.738 330 C CB -1.840 25.763 27.740 -0.229 0.000 1.987 330 C HN -0.343 7.682 8.230 -0.317 0.015 0.492 331 R N -0.396 120.024 120.500 -0.132 0.000 2.066 331 R HA -0.201 nan 4.340 nan 0.000 0.232 331 R C 2.536 178.818 176.300 -0.030 0.000 1.131 331 R CA 2.351 58.420 56.100 -0.051 0.000 0.955 331 R CB -0.945 29.327 30.300 -0.047 0.000 0.851 331 R HN -0.369 7.798 8.270 -0.170 0.000 0.432 332 V N -3.492 116.379 119.914 -0.072 0.000 2.427 332 V HA -0.152 nan 4.120 nan 0.000 0.248 332 V C 1.426 177.536 176.094 0.026 0.000 1.051 332 V CA 3.487 65.779 62.300 -0.012 0.000 1.048 332 V CB -1.213 30.606 31.823 -0.007 0.000 0.666 332 V HN -0.423 7.680 8.190 -0.144 0.000 0.456 333 A N 0.935 123.743 122.820 -0.019 0.000 1.877 333 A HA -0.351 nan 4.320 nan 0.000 0.216 333 A C 1.825 179.551 177.584 0.235 0.000 1.186 333 A CA 3.265 55.342 52.037 0.066 0.000 0.620 333 A CB -0.730 18.193 19.000 -0.129 0.000 0.822 333 A HN -0.272 7.806 8.150 -0.120 0.000 0.443 334 I N -1.789 118.937 120.570 0.259 0.000 2.208 334 I HA -0.589 nan 4.170 nan 0.000 0.245 334 I C 1.879 178.136 176.117 0.233 0.000 1.097 334 I CA 3.839 65.351 61.300 0.353 0.000 1.363 334 I CB -0.292 37.826 38.000 0.197 0.000 1.051 334 I HN -0.327 7.973 8.210 0.151 0.000 0.413 335 A N -1.048 121.851 122.820 0.132 0.000 1.877 335 A HA -0.340 nan 4.320 nan 0.000 0.216 335 A C 1.742 179.384 177.584 0.096 0.000 1.186 335 A CA 3.199 55.292 52.037 0.093 0.000 0.620 335 A CB -1.005 18.037 19.000 0.070 0.000 0.822 335 A HN -0.229 7.984 8.150 0.106 0.000 0.443 336 A N -1.676 121.209 122.820 0.108 0.000 1.933 336 A HA -0.256 nan 4.320 nan 0.000 0.218 336 A C 2.270 179.946 177.584 0.153 0.000 1.175 336 A CA 2.914 55.004 52.037 0.089 0.000 0.628 336 A CB -0.733 18.329 19.000 0.104 0.000 0.814 336 A HN 0.231 8.344 8.150 0.117 0.107 0.444 337 L N -2.802 118.574 121.223 0.254 0.000 2.109 337 L HA -0.416 nan 4.340 nan 0.000 0.207 337 L C 2.302 179.387 176.870 0.358 0.000 1.086 337 L CA 3.023 58.069 54.840 0.342 0.000 0.760 337 L CB -0.234 42.025 42.059 0.334 0.000 0.910 337 L HN -0.077 8.301 8.230 0.271 0.015 0.437 338 E N 0.008 120.385 120.200 0.294 0.000 2.077 338 E HA -0.384 nan 4.350 nan 0.000 0.193 338 E C 2.426 179.104 176.600 0.129 0.000 0.989 338 E CA 3.504 60.033 56.400 0.214 0.000 0.800 338 E CB -0.169 29.602 29.700 0.118 0.000 0.746 338 E HN -0.497 8.030 8.360 0.279 0.000 0.452 339 V N 0.031 119.971 119.914 0.044 0.000 2.324 339 V HA -0.381 nan 4.120 nan 0.000 0.250 339 V C 2.153 178.232 176.094 -0.026 0.000 1.060 339 V CA 4.491 66.749 62.300 -0.070 0.000 1.042 339 V CB -1.043 30.574 31.823 -0.342 0.000 0.650 339 V HN -0.140 8.075 8.190 0.041 0.000 0.450 340 L N -2.524 118.711 121.223 0.021 0.000 2.046 340 L HA -0.481 nan 4.340 nan 0.000 0.208 340 L C 2.002 178.821 176.870 -0.086 0.000 1.077 340 L CA 3.368 58.178 54.840 -0.051 0.000 0.747 340 L CB -0.555 41.487 42.059 -0.028 0.000 0.896 340 L HN -0.684 7.591 8.230 0.075 0.000 0.432 341 E N -0.553 119.721 120.200 0.124 0.000 2.016 341 E HA -0.321 nan 4.350 nan 0.000 0.190 341 E C 2.851 179.498 176.600 0.079 0.000 0.985 341 E CA 3.138 59.644 56.400 0.176 0.000 0.802 341 E CB -0.125 29.801 29.700 0.377 0.000 0.762 341 E HN -0.462 7.965 8.360 0.242 0.078 0.448 342 E N 0.128 120.380 120.200 0.086 0.000 2.070 342 E HA -0.282 nan 4.350 nan 0.000 0.197 342 E C 2.252 178.873 176.600 0.035 0.000 1.004 342 E CA 2.663 59.099 56.400 0.060 0.000 0.805 342 E CB 0.059 29.799 29.700 0.066 0.000 0.744 342 E HN 0.081 8.509 8.360 0.114 0.000 0.451 343 E N -4.177 116.037 120.200 0.023 0.000 2.463 343 E HA 0.037 nan 4.350 nan 0.000 0.191 343 E C -0.926 175.662 176.600 -0.020 0.000 1.083 343 E CA -0.555 55.855 56.400 0.016 0.000 0.872 343 E CB -0.402 29.318 29.700 0.035 0.000 0.966 343 E HN -0.682 7.691 8.360 0.021 0.000 0.491 344 N N -2.004 116.670 118.700 -0.044 0.000 2.698 344 N HA -0.355 nan 4.740 nan 0.000 0.258 344 N C 0.368 175.811 175.510 -0.112 0.000 0.978 344 N CA 0.868 53.867 53.050 -0.085 0.000 0.777 344 N CB -1.314 37.143 38.487 -0.050 0.000 0.907 344 N HN -0.318 7.835 8.380 -0.026 0.212 0.543 345 L N -3.360 117.777 121.223 -0.144 0.000 2.275 345 L HA -0.325 nan 4.340 nan 0.000 0.215 345 L C 0.947 177.719 176.870 -0.164 0.000 1.119 345 L CA 2.980 57.739 54.840 -0.134 0.000 0.790 345 L CB -0.794 41.188 42.059 -0.127 0.000 0.919 345 L HN -0.449 7.684 8.230 -0.158 0.002 0.443 346 A N -0.526 122.142 122.820 -0.253 0.000 1.845 346 A HA -0.370 nan 4.320 nan 0.000 0.215 346 A C 1.508 179.012 177.584 -0.133 0.000 1.195 346 A CA 3.877 55.769 52.037 -0.241 0.000 0.616 346 A CB -1.079 17.695 19.000 -0.378 0.000 0.832 346 A HN 0.407 8.329 8.150 -0.324 0.033 0.443 347 E N -1.615 118.515 120.200 -0.118 0.000 2.110 347 E HA -0.387 nan 4.350 nan 0.000 0.193 347 E C 2.174 178.750 176.600 -0.039 0.000 0.988 347 E CA 2.829 59.191 56.400 -0.063 0.000 0.804 347 E CB -1.146 28.522 29.700 -0.053 0.000 0.745 347 E HN -0.104 8.168 8.360 -0.147 0.000 0.458 348 N N 0.516 119.188 118.700 -0.047 0.000 2.120 348 N HA -0.303 nan 4.740 nan 0.000 0.188 348 N C 1.744 177.239 175.510 -0.024 0.000 1.024 348 N CA 3.138 56.170 53.050 -0.030 0.000 0.852 348 N CB 0.254 38.722 38.487 -0.031 0.000 1.003 348 N HN -0.679 7.661 8.380 -0.066 0.000 0.424 349 A N -0.550 122.249 122.820 -0.035 0.000 1.902 349 A HA -0.289 nan 4.320 nan 0.000 0.217 349 A C 2.178 179.768 177.584 0.011 0.000 1.181 349 A CA 3.164 55.189 52.037 -0.020 0.000 0.623 349 A CB -0.763 18.220 19.000 -0.028 0.000 0.818 349 A HN 0.008 8.052 8.150 -0.056 0.073 0.443 350 D N -1.598 118.813 120.400 0.019 0.000 2.084 350 D HA -0.251 nan 4.640 nan 0.000 0.194 350 D C 2.341 178.665 176.300 0.040 0.000 0.990 350 D CA 2.979 57.012 54.000 0.055 0.000 0.826 350 D CB -0.048 40.787 40.800 0.059 0.000 0.971 350 D HN -0.249 8.038 8.370 -0.004 0.080 0.453 351 K N -0.622 119.791 120.400 0.021 0.000 1.991 351 K HA -0.306 nan 4.320 nan 0.000 0.212 351 K C 2.815 179.424 176.600 0.015 0.000 1.049 351 K CA 3.310 59.608 56.287 0.018 0.000 0.932 351 K CB 0.062 32.568 32.500 0.009 0.000 0.717 351 K HN -0.371 7.886 8.250 0.011 0.000 0.441 352 L N -2.489 118.739 121.223 0.009 0.000 2.131 352 L HA -0.321 nan 4.340 nan 0.000 0.210 352 L C 2.182 179.060 176.870 0.013 0.000 1.092 352 L CA 2.572 57.416 54.840 0.006 0.000 0.759 352 L CB -0.653 41.404 42.059 -0.004 0.000 0.903 352 L HN -0.132 8.100 8.230 0.004 0.000 0.435 353 G N -0.599 108.212 108.800 0.019 0.000 2.418 353 G HA2 -0.383 nan 3.960 nan 0.000 0.217 353 G HA3 -0.383 nan 3.960 nan 0.000 0.217 353 G C 0.943 175.861 174.900 0.030 0.000 1.158 353 G CA 2.082 47.200 45.100 0.029 0.000 0.771 353 G HN -0.242 8.045 8.290 0.019 0.014 0.545 354 I N 2.399 122.986 120.570 0.027 0.000 2.226 354 I HA -0.478 nan 4.170 nan 0.000 0.245 354 I C 1.550 177.678 176.117 0.017 0.000 1.100 354 I CA 3.570 64.884 61.300 0.024 0.000 1.374 354 I CB 0.141 38.156 38.000 0.025 0.000 1.057 354 I HN -0.710 7.518 8.210 0.029 0.000 0.413 355 I N -0.339 120.240 120.570 0.013 0.000 2.202 355 I HA -0.530 nan 4.170 nan 0.000 0.242 355 I C 1.841 177.959 176.117 0.001 0.000 1.091 355 I CA 4.150 65.453 61.300 0.006 0.000 1.368 355 I CB -0.123 37.879 38.000 0.003 0.000 1.058 355 I HN -0.776 7.358 8.210 0.015 0.085 0.410 356 L N -0.336 120.891 121.223 0.007 0.000 2.013 356 L HA -0.455 nan 4.340 nan 0.000 0.212 356 L C 1.787 178.662 176.870 0.008 0.000 1.073 356 L CA 3.642 58.484 54.840 0.004 0.000 0.753 356 L CB -0.517 41.563 42.059 0.035 0.000 0.890 356 L HN 0.194 8.432 8.230 0.013 0.000 0.432 357 R N -1.663 118.853 120.500 0.026 0.000 2.066 357 R HA -0.439 nan 4.340 nan 0.000 0.232 357 R C 2.422 178.735 176.300 0.020 0.000 1.131 357 R CA 4.037 60.157 56.100 0.033 0.000 0.955 357 R CB -0.339 29.982 30.300 0.036 0.000 0.851 357 R HN 0.337 8.624 8.270 0.029 0.000 0.432 358 N N -1.082 117.626 118.700 0.013 0.000 2.149 358 N HA -0.301 nan 4.740 nan 0.000 0.188 358 N C 1.811 177.322 175.510 0.002 0.000 1.019 358 N CA 2.826 55.881 53.050 0.009 0.000 0.857 358 N CB -0.571 37.920 38.487 0.007 0.000 0.997 358 N HN -0.270 8.118 8.380 0.013 0.000 0.426 359 E N -1.570 118.625 120.200 -0.009 0.000 2.107 359 E HA -0.162 nan 4.350 nan 0.000 0.191 359 E C 2.744 179.330 176.600 -0.022 0.000 0.982 359 E CA 1.639 58.025 56.400 -0.022 0.000 0.809 359 E CB 0.016 29.689 29.700 -0.044 0.000 0.756 359 E HN -0.388 7.955 8.360 -0.009 0.011 0.459 360 L N 0.156 121.369 121.223 -0.017 0.000 2.141 360 L HA -0.271 nan 4.340 nan 0.000 0.209 360 L C 2.367 179.254 176.870 0.028 0.000 1.094 360 L CA 2.780 57.622 54.840 0.002 0.000 0.763 360 L CB -0.063 42.016 42.059 0.033 0.000 0.908 360 L HN -0.089 8.132 8.230 -0.014 0.000 0.437 361 M N -4.444 115.171 119.600 0.026 0.000 2.632 361 M HA -0.280 nan 4.480 nan 0.000 0.256 361 M C 0.863 177.177 176.300 0.023 0.000 1.080 361 M CA 2.172 57.489 55.300 0.029 0.000 1.084 361 M CB -0.405 32.210 32.600 0.025 0.000 1.439 361 M HN -0.311 7.978 8.290 0.020 0.014 0.509 362 K N -3.042 117.367 120.400 0.016 0.000 2.361 362 K HA -0.074 nan 4.320 nan 0.000 0.196 362 K C 0.171 176.783 176.600 0.019 0.000 1.039 362 K CA -0.160 56.134 56.287 0.012 0.000 1.001 362 K CB 0.427 32.928 32.500 0.003 0.000 0.795 362 K HN -0.670 7.396 8.250 0.011 0.190 0.495 363 L N 1.655 122.895 121.223 0.029 0.000 2.467 363 L HA 0.008 nan 4.340 nan 0.000 0.270 363 L C -1.336 175.562 176.870 0.047 0.000 1.205 363 L CA -1.855 53.011 54.840 0.043 0.000 0.828 363 L CB -0.489 41.611 42.059 0.068 0.000 1.101 363 L HN -0.639 7.456 8.230 0.030 0.153 0.479 364 P HA 0.058 nan 4.420 nan 0.000 0.267 364 P C 0.645 177.981 177.300 0.061 0.000 1.209 364 P CA -0.154 62.972 63.100 0.042 0.000 0.763 364 P CB 0.690 32.406 31.700 0.027 0.000 0.816 365 S N 4.035 119.765 115.700 0.050 0.000 2.402 365 S HA -0.296 nan 4.470 nan 0.000 0.233 365 S C 0.135 174.778 174.600 0.071 0.000 1.030 365 S CA 2.735 60.969 58.200 0.056 0.000 1.003 365 S CB -0.199 63.025 63.200 0.040 0.000 0.813 365 S HN 0.530 8.863 8.310 0.039 0.000 0.477 366 D N -2.375 118.065 120.400 0.066 0.000 2.324 366 D HA -0.007 nan 4.640 nan 0.000 0.235 366 D C -0.092 176.288 176.300 0.134 0.000 1.095 366 D CA 0.533 54.579 54.000 0.078 0.000 0.871 366 D CB -0.479 40.346 40.800 0.042 0.000 0.906 366 D HN -0.017 8.351 8.370 0.050 0.032 0.522 367 V N -1.431 118.589 119.914 0.177 0.000 3.442 367 V HA 0.169 nan 4.120 nan 0.000 0.205 367 V C -1.141 175.151 176.094 0.330 0.000 1.320 367 V CA 1.802 64.313 62.300 0.352 0.000 1.306 367 V CB 3.348 35.304 31.823 0.223 0.000 1.267 367 V HN -0.377 7.695 8.190 0.138 0.201 0.538 368 V N 0.463 120.496 119.914 0.199 0.000 2.318 368 V HA 0.194 nan 4.120 nan 0.000 0.271 368 V C 0.145 176.293 176.094 0.089 0.000 1.030 368 V CA 0.138 62.518 62.300 0.132 0.000 0.844 368 V CB -0.481 31.418 31.823 0.126 0.000 1.015 368 V HN -0.175 8.114 8.190 0.165 0.000 0.460 369 T N 2.265 116.857 114.554 0.064 0.000 3.043 369 T HA 0.026 nan 4.350 nan 0.000 0.263 369 T C 0.054 174.775 174.700 0.036 0.000 1.094 369 T CA 0.322 62.450 62.100 0.046 0.000 1.127 369 T CB 0.333 69.221 68.868 0.033 0.000 0.905 369 T HN 0.578 8.849 8.240 0.052 0.000 0.490 370 A N 0.332 123.174 122.820 0.036 0.000 2.604 370 A HA 0.287 nan 4.320 nan 0.000 0.295 370 A C -2.807 174.805 177.584 0.046 0.000 1.067 370 A CA -0.338 51.720 52.037 0.034 0.000 0.683 370 A CB 2.290 21.302 19.000 0.021 0.000 1.281 370 A HN -0.717 7.422 8.150 0.039 0.035 0.407 371 V N 0.779 120.722 119.914 0.049 0.000 2.577 371 V HA 0.699 nan 4.120 nan 0.000 0.303 371 V C -1.215 174.910 176.094 0.052 0.000 1.042 371 V CA -0.882 61.457 62.300 0.065 0.000 0.872 371 V CB 1.887 33.751 31.823 0.068 0.000 0.998 371 V HN 0.284 8.497 8.190 0.040 0.000 0.423 372 R N 4.057 124.592 120.500 0.058 0.000 2.710 372 R HA 0.559 nan 4.340 nan 0.000 0.270 372 R C -2.073 174.257 176.300 0.051 0.000 1.021 372 R CA -1.914 54.212 56.100 0.044 0.000 0.889 372 R CB 3.760 34.080 30.300 0.033 0.000 1.243 372 R HN 1.000 9.314 8.270 0.075 0.000 0.464 373 G N -1.175 107.646 108.800 0.034 0.000 2.362 373 G HA2 0.004 nan 3.960 nan 0.000 0.288 373 G HA3 0.004 nan 3.960 nan 0.000 0.288 373 G C -2.740 172.163 174.900 0.005 0.000 1.305 373 G CA 0.085 45.205 45.100 0.035 0.000 0.910 373 G HN 0.013 8.315 8.290 0.020 0.000 0.518 374 K N -0.098 120.307 120.400 0.009 0.000 2.543 374 K HA 0.340 nan 4.320 nan 0.000 0.255 374 K C -0.080 176.546 176.600 0.043 0.000 0.934 374 K CA -0.954 55.321 56.287 -0.020 0.000 0.810 374 K CB 3.710 36.149 32.500 -0.101 0.000 1.315 374 K HN 0.292 8.562 8.250 0.034 0.000 0.433 375 G N 3.689 112.528 108.800 0.064 0.000 2.596 375 G HA2 -0.373 nan 3.960 nan 0.000 0.295 375 G HA3 -0.373 nan 3.960 nan 0.000 0.295 375 G C 0.186 175.113 174.900 0.045 0.000 1.240 375 G CA 1.288 46.431 45.100 0.072 0.000 0.985 375 G HN 0.515 8.838 8.290 0.055 0.000 0.555 376 L N 1.556 122.795 121.223 0.028 0.000 2.688 376 L HA 0.327 nan 4.340 nan 0.000 0.234 376 L C -0.933 175.952 176.870 0.025 0.000 1.192 376 L CA -1.226 53.618 54.840 0.007 0.000 0.984 376 L CB -1.588 40.444 42.059 -0.046 0.000 1.232 376 L HN -0.155 8.091 8.230 0.027 0.000 0.465 377 L N 1.770 123.022 121.223 0.050 0.000 2.335 377 L HA 0.326 nan 4.340 nan 0.000 0.268 377 L C -2.689 174.224 176.870 0.073 0.000 1.037 377 L CA -1.063 53.813 54.840 0.060 0.000 0.895 377 L CB 0.480 42.577 42.059 0.064 0.000 1.266 377 L HN -0.090 8.083 8.230 0.053 0.089 0.439 378 N N 4.692 123.453 118.700 0.102 0.000 2.629 378 N HA 0.843 nan 4.740 nan 0.000 0.279 378 N C -2.501 173.080 175.510 0.118 0.000 1.344 378 N CA -1.049 52.074 53.050 0.122 0.000 0.789 378 N CB 4.823 43.412 38.487 0.169 0.000 1.508 378 N HN -0.435 8.015 8.380 0.117 0.000 0.516 379 A N -1.797 121.086 122.820 0.104 0.000 2.605 379 A HA 0.850 nan 4.320 nan 0.000 0.294 379 A C -2.932 174.689 177.584 0.061 0.000 1.062 379 A CA -0.285 51.768 52.037 0.027 0.000 0.682 379 A CB 3.555 22.545 19.000 -0.017 0.000 1.278 379 A HN 0.973 9.190 8.150 0.111 0.000 0.410 380 I N -5.226 115.351 120.570 0.012 0.000 2.689 380 I HA 0.881 nan 4.170 nan 0.000 0.299 380 I C -1.795 174.310 176.117 -0.020 0.000 1.059 380 I CA -2.394 58.938 61.300 0.054 0.000 1.055 380 I CB 3.480 41.577 38.000 0.162 0.000 1.243 380 I HN 0.383 8.526 8.210 -0.112 0.000 0.425 381 V N 3.626 123.535 119.914 -0.008 0.000 2.333 381 V HA 0.531 nan 4.120 nan 0.000 0.274 381 V C -0.595 175.461 176.094 -0.063 0.000 1.028 381 V CA -1.361 60.913 62.300 -0.044 0.000 0.851 381 V CB -0.251 31.557 31.823 -0.024 0.000 1.000 381 V HN 0.559 8.655 8.190 0.020 0.105 0.456 382 I N 8.161 128.637 120.570 -0.157 0.000 2.416 382 I HA 0.180 nan 4.170 nan 0.000 0.288 382 I C -0.694 175.265 176.117 -0.263 0.000 1.051 382 I CA -2.273 58.855 61.300 -0.288 0.000 1.375 382 I CB -0.228 37.410 38.000 -0.603 0.000 1.407 382 I HN 0.740 8.844 8.210 -0.175 0.000 0.516 383 K N 9.057 129.400 120.400 -0.094 0.000 2.237 383 K HA -0.144 nan 4.320 nan 0.000 0.283 383 K C -1.054 175.505 176.600 -0.069 0.000 1.080 383 K CA -0.314 55.974 56.287 0.003 0.000 0.965 383 K CB 0.039 32.633 32.500 0.157 0.000 1.098 383 K HN 0.619 8.891 8.250 0.037 0.000 0.434 384 E N 6.254 126.347 120.200 -0.179 0.000 2.417 384 E HA -0.122 nan 4.350 nan 0.000 0.261 384 E C -0.547 176.060 176.600 0.011 0.000 1.000 384 E CA 0.696 56.971 56.400 -0.207 0.000 0.919 384 E CB 0.737 30.339 29.700 -0.162 0.000 0.955 384 E HN -0.255 8.013 8.360 -0.153 0.000 0.455 385 T N 3.826 118.460 114.554 0.135 0.000 2.645 385 T HA 0.298 nan 4.350 nan 0.000 0.273 385 T C -0.468 174.326 174.700 0.157 0.000 0.960 385 T CA -1.621 60.596 62.100 0.195 0.000 1.051 385 T CB 1.034 70.079 68.868 0.295 0.000 1.366 385 T HN 0.310 8.621 8.240 0.118 0.000 0.536 386 K N -0.821 119.657 120.400 0.129 0.000 2.589 386 K HA -0.029 nan 4.320 nan 0.000 0.192 386 K C -0.940 175.732 176.600 0.119 0.000 1.029 386 K CA 0.908 57.253 56.287 0.096 0.000 1.031 386 K CB -0.489 32.052 32.500 0.069 0.000 0.821 386 K HN 0.186 8.509 8.250 0.122 0.000 0.502 387 D N -2.299 118.214 120.400 0.188 0.000 3.118 387 D HA 0.193 nan 4.640 nan 0.000 0.222 387 D C -1.463 175.022 176.300 0.309 0.000 1.470 387 D CA 0.662 54.786 54.000 0.208 0.000 1.347 387 D CB 1.740 42.635 40.800 0.158 0.000 1.221 387 D HN -0.581 7.822 8.370 0.253 0.119 0.326 388 W N -1.874 119.429 121.300 0.006 0.000 2.485 388 W HA 0.480 nan 4.660 nan 0.000 0.364 388 W C -2.264 174.208 176.519 -0.079 0.000 1.171 388 W CA -2.806 54.500 57.345 -0.066 0.000 1.304 388 W CB 1.607 30.899 29.460 -0.280 0.000 1.335 388 W HN -0.656 7.975 8.180 0.751 0.000 0.643 389 D N -4.722 115.485 120.400 -0.320 0.000 2.692 389 D HA 0.201 nan 4.640 nan 0.000 0.303 389 D C -0.422 175.615 176.300 -0.437 0.000 1.278 389 D CA -0.732 53.013 54.000 -0.425 0.000 0.852 389 D CB 2.326 43.045 40.800 -0.135 0.000 1.375 389 D HN -0.272 8.000 8.370 -0.164 0.000 0.453 390 A N -1.584 121.039 122.820 -0.329 0.000 1.940 390 A HA -0.240 nan 4.320 nan 0.000 0.219 390 A C 1.484 179.032 177.584 -0.059 0.000 1.176 390 A CA 3.242 55.136 52.037 -0.239 0.000 0.631 390 A CB -0.316 18.584 19.000 -0.167 0.000 0.814 390 A HN 0.311 8.292 8.150 -0.282 0.000 0.446 391 W N -1.208 120.005 121.300 -0.145 0.000 2.355 391 W HA -0.451 nan 4.660 nan 0.000 0.309 391 W C 1.544 178.052 176.519 -0.019 0.000 1.206 391 W CA 3.285 60.588 57.345 -0.069 0.000 1.284 391 W CB 0.062 29.499 29.460 -0.037 0.000 1.145 391 W HN -0.539 7.809 8.180 0.174 -0.064 0.502 392 K N -2.356 118.120 120.400 0.126 0.000 2.097 392 K HA -0.422 nan 4.320 nan 0.000 0.206 392 K C 2.306 179.017 176.600 0.184 0.000 1.049 392 K CA 3.575 59.949 56.287 0.145 0.000 0.933 392 K CB -0.142 32.521 32.500 0.271 0.000 0.717 392 K HN -0.531 8.102 8.250 0.187 -0.271 0.442 393 V N 0.042 119.970 119.914 0.023 0.000 2.343 393 V HA -0.380 nan 4.120 nan 0.000 0.247 393 V C 1.891 178.047 176.094 0.104 0.000 1.051 393 V CA 4.472 66.845 62.300 0.122 0.000 1.036 393 V CB -0.892 30.877 31.823 -0.090 0.000 0.654 393 V HN -0.443 7.675 8.190 -0.120 0.000 0.451 394 C N -0.510 118.747 119.300 -0.071 0.000 2.435 394 C HA -0.297 nan 4.460 nan 0.000 0.279 394 C C 2.149 177.015 174.990 -0.207 0.000 1.321 394 C CA 4.528 63.452 59.018 -0.156 0.000 1.752 394 C CB -2.168 25.407 27.740 -0.276 0.000 1.959 394 C HN -0.349 7.742 8.230 -0.115 0.070 0.500 395 L N -0.228 120.839 121.223 -0.260 0.000 2.056 395 L HA -0.437 nan 4.340 nan 0.000 0.207 395 L C 2.073 178.915 176.870 -0.047 0.000 1.078 395 L CA 3.407 58.112 54.840 -0.225 0.000 0.749 395 L CB -0.567 41.365 42.059 -0.211 0.000 0.901 395 L HN 0.116 8.073 8.230 -0.271 0.110 0.433 396 R N -0.832 119.704 120.500 0.060 0.000 2.090 396 R HA -0.274 nan 4.340 nan 0.000 0.228 396 R C 2.642 178.981 176.300 0.065 0.000 1.110 396 R CA 3.210 59.352 56.100 0.070 0.000 0.973 396 R CB -0.011 30.343 30.300 0.091 0.000 0.869 396 R HN -0.344 8.007 8.270 0.134 0.000 0.440 397 L N -1.040 120.234 121.223 0.086 0.000 2.083 397 L HA -0.335 nan 4.340 nan 0.000 0.209 397 L C 1.498 178.410 176.870 0.071 0.000 1.083 397 L CA 3.039 57.923 54.840 0.074 0.000 0.752 397 L CB -0.339 41.767 42.059 0.077 0.000 0.899 397 L HN 0.387 8.574 8.230 0.104 0.106 0.433 398 R N -0.836 119.688 120.500 0.041 0.000 2.073 398 R HA -0.374 nan 4.340 nan 0.000 0.234 398 R C 2.357 178.768 176.300 0.185 0.000 1.134 398 R CA 3.601 59.748 56.100 0.078 0.000 0.952 398 R CB -0.483 29.788 30.300 -0.049 0.000 0.850 398 R HN -0.147 8.115 8.270 -0.006 0.004 0.433 399 D N -0.357 120.102 120.400 0.098 0.000 2.263 399 D HA -0.142 nan 4.640 nan 0.000 0.208 399 D C 1.401 177.738 176.300 0.062 0.000 0.971 399 D CA 2.607 56.657 54.000 0.082 0.000 0.867 399 D CB -0.598 40.223 40.800 0.035 0.000 0.929 399 D HN -0.242 8.082 8.370 0.053 0.078 0.492 400 N N -3.704 115.035 118.700 0.065 0.000 2.270 400 N HA 0.120 nan 4.740 nan 0.000 0.198 400 N C -0.277 175.273 175.510 0.068 0.000 1.117 400 N CA -0.094 52.981 53.050 0.042 0.000 0.845 400 N CB 0.809 39.310 38.487 0.023 0.000 0.980 400 N HN -0.589 7.677 8.380 0.076 0.159 0.486 401 G N -1.655 107.219 108.800 0.122 0.000 2.131 401 G HA2 -0.298 nan 3.960 nan 0.000 0.201 401 G HA3 -0.298 nan 3.960 nan 0.000 0.201 401 G C -2.137 172.964 174.900 0.334 0.000 1.000 401 G CA 0.055 45.246 45.100 0.152 0.000 0.680 401 G HN -0.099 8.118 8.290 0.171 0.177 0.514 402 L N -1.367 120.032 121.223 0.293 0.000 2.436 402 L HA 0.829 nan 4.340 nan 0.000 0.268 402 L C -2.216 174.750 176.870 0.159 0.000 0.974 402 L CA -0.941 54.040 54.840 0.236 0.000 0.826 402 L CB 2.793 44.856 42.059 0.007 0.000 1.291 402 L HN -0.326 8.050 8.230 0.243 0.000 0.406 403 L N 5.433 126.752 121.223 0.161 0.000 2.296 403 L HA 0.448 nan 4.340 nan 0.000 0.286 403 L C -1.878 175.048 176.870 0.095 0.000 1.023 403 L CA -1.002 53.859 54.840 0.035 0.000 0.812 403 L CB 1.664 43.683 42.059 -0.067 0.000 1.223 403 L HN 0.922 9.308 8.230 0.261 0.000 0.421 404 A N 3.041 125.866 122.820 0.008 0.000 2.602 404 A HA 0.485 nan 4.320 nan 0.000 0.290 404 A C -1.785 175.738 177.584 -0.101 0.000 1.114 404 A CA -0.510 51.524 52.037 -0.005 0.000 0.683 404 A CB 3.040 22.052 19.000 0.020 0.000 1.281 404 A HN 0.010 8.125 8.150 -0.059 0.000 0.416 405 K N -1.426 118.908 120.400 -0.111 0.000 2.501 405 K HA 0.493 nan 4.320 nan 0.000 0.252 405 K C -2.731 173.827 176.600 -0.069 0.000 0.934 405 K CA -3.480 52.761 56.287 -0.077 0.000 0.797 405 K CB 2.526 35.003 32.500 -0.039 0.000 1.270 405 K HN 0.418 8.597 8.250 -0.118 0.000 0.431 406 P HA 0.224 nan 4.420 nan 0.000 0.282 406 P C -0.102 177.180 177.300 -0.029 0.000 1.274 406 P CA -0.378 62.704 63.100 -0.030 0.000 0.770 406 P CB 0.186 31.912 31.700 0.044 0.000 0.867 407 T N 0.768 115.283 114.554 -0.066 0.000 2.698 407 T HA -0.131 nan 4.350 nan 0.000 0.260 407 T C 0.539 175.072 174.700 -0.278 0.000 1.044 407 T CA 1.866 63.888 62.100 -0.130 0.000 1.149 407 T CB 0.233 69.066 68.868 -0.059 0.000 0.864 407 T HN 0.258 8.456 8.240 -0.071 0.000 0.419 408 H N 1.244 120.279 119.070 -0.058 0.000 2.471 408 H HA 0.266 nan 4.556 nan 0.000 0.234 408 H C 0.144 175.433 175.328 -0.065 0.000 1.388 408 H CA -0.589 55.422 56.048 -0.062 0.000 1.198 408 H CB -0.374 29.351 29.762 -0.062 0.000 1.714 408 H HN -0.370 7.932 8.280 0.036 0.000 0.536 409 G N 3.482 112.282 108.800 -0.000 0.000 2.435 409 G HA2 -0.452 nan 3.960 nan 0.000 0.245 409 G HA3 -0.452 nan 3.960 nan 0.000 0.245 409 G C -0.138 174.726 174.900 -0.059 0.000 1.073 409 G CA 1.733 46.817 45.100 -0.025 0.000 0.638 409 G HN 0.513 8.784 8.290 -0.032 0.000 0.521 410 D N -1.428 118.932 120.400 -0.066 0.000 2.538 410 D HA 0.151 nan 4.640 nan 0.000 0.241 410 D C -1.620 174.601 176.300 -0.131 0.000 1.297 410 D CA -0.673 53.246 54.000 -0.134 0.000 0.804 410 D CB 1.228 41.948 40.800 -0.134 0.000 1.122 410 D HN -0.291 7.971 8.370 -0.025 0.092 0.519 411 I N -1.032 119.486 120.570 -0.086 0.000 2.460 411 I HA 0.596 nan 4.170 nan 0.000 0.298 411 I C -1.169 174.864 176.117 -0.141 0.000 0.989 411 I CA -1.121 60.124 61.300 -0.091 0.000 1.173 411 I CB 2.564 40.546 38.000 -0.031 0.000 1.338 411 I HN -0.655 7.521 8.210 -0.056 0.000 0.456 412 I N 4.675 125.114 120.570 -0.218 0.000 2.439 412 I HA 0.359 nan 4.170 nan 0.000 0.285 412 I C -1.955 173.851 176.117 -0.518 0.000 1.021 412 I CA -1.363 59.715 61.300 -0.370 0.000 1.091 412 I CB 2.725 40.440 38.000 -0.474 0.000 1.242 412 I HN 0.674 8.766 8.210 -0.197 0.000 0.439 413 R N 6.826 127.090 120.500 -0.394 0.000 2.357 413 R HA 0.247 nan 4.340 nan 0.000 0.296 413 R C -0.672 175.412 176.300 -0.359 0.000 1.052 413 R CA -0.298 55.637 56.100 -0.274 0.000 0.988 413 R CB 1.571 31.816 30.300 -0.092 0.000 1.025 413 R HN -0.238 7.857 8.270 -0.292 0.000 0.469 414 F N 6.767 126.791 119.950 0.124 0.000 2.443 414 F HA 0.143 nan 4.527 nan 0.000 0.369 414 F C -2.034 173.848 175.800 0.136 0.000 1.090 414 F CA -1.662 56.495 58.000 0.262 0.000 1.129 414 F CB 1.061 40.235 39.000 0.289 0.000 1.367 414 F HN 0.580 8.810 8.300 0.079 0.117 0.465 415 A N 4.231 127.160 122.820 0.182 0.000 2.646 415 A HA 0.470 nan 4.320 nan 0.000 0.312 415 A C -2.990 174.456 177.584 -0.231 0.000 1.245 415 A CA -2.695 49.323 52.037 -0.032 0.000 0.755 415 A CB 0.913 19.918 19.000 0.008 0.000 1.132 415 A HN 0.347 8.533 8.150 0.230 0.102 0.458 416 P HA 0.361 nan 4.420 nan 0.000 0.284 416 P C -2.347 174.772 177.300 -0.301 0.000 1.258 416 P CA -2.382 60.332 63.100 -0.644 0.000 0.824 416 P CB -0.373 30.574 31.700 -1.254 0.000 1.038 417 P HA -0.114 nan 4.420 nan 0.000 0.264 417 P C 0.429 177.669 177.300 -0.100 0.000 1.179 417 P CA 0.595 63.630 63.100 -0.109 0.000 0.763 417 P CB 0.042 31.707 31.700 -0.058 0.000 0.806 418 L N 3.449 124.630 121.223 -0.070 0.000 2.642 418 L HA -0.270 nan 4.340 nan 0.000 0.236 418 L C 0.573 177.421 176.870 -0.037 0.000 1.169 418 L CA 2.329 57.134 54.840 -0.060 0.000 0.851 418 L CB -0.994 41.030 42.059 -0.058 0.000 0.968 418 L HN 0.312 8.411 8.230 -0.062 0.094 0.453 419 V N -7.959 111.944 119.914 -0.018 0.000 3.649 419 V HA 0.112 nan 4.120 nan 0.000 0.275 419 V C 0.167 176.265 176.094 0.007 0.000 1.281 419 V CA -1.727 60.582 62.300 0.015 0.000 1.143 419 V CB -1.051 30.809 31.823 0.062 0.000 0.892 419 V HN -0.486 7.599 8.190 -0.023 0.090 0.441 420 I N 0.333 120.889 120.570 -0.024 0.000 2.752 420 I HA -0.187 nan 4.170 nan 0.000 0.287 420 I C -0.642 175.481 176.117 0.011 0.000 1.188 420 I CA 1.044 62.335 61.300 -0.015 0.000 1.427 420 I CB 0.849 38.813 38.000 -0.059 0.000 1.365 420 I HN -0.601 7.510 8.210 -0.048 0.070 0.585 421 K N 6.601 127.025 120.400 0.041 0.000 2.123 421 K HA 0.292 nan 4.320 nan 0.000 0.248 421 K C 0.225 176.851 176.600 0.044 0.000 0.969 421 K CA -1.640 54.674 56.287 0.045 0.000 0.882 421 K CB 1.468 34.005 32.500 0.062 0.000 1.080 421 K HN -0.100 8.423 8.250 0.061 -0.237 0.441 422 E N 2.811 123.031 120.200 0.033 0.000 2.070 422 E HA -0.476 nan 4.350 nan 0.000 0.197 422 E C 1.430 178.049 176.600 0.032 0.000 1.004 422 E CA 4.250 60.665 56.400 0.025 0.000 0.805 422 E CB -0.394 29.317 29.700 0.020 0.000 0.744 422 E HN 0.796 9.173 8.360 0.030 0.000 0.451 423 D N -3.511 116.918 120.400 0.048 0.000 2.117 423 D HA -0.266 nan 4.640 nan 0.000 0.197 423 D C 2.385 178.736 176.300 0.085 0.000 0.987 423 D CA 3.396 57.432 54.000 0.059 0.000 0.829 423 D CB -1.265 39.576 40.800 0.070 0.000 0.961 423 D HN 0.409 8.809 8.370 0.050 0.000 0.460 424 E N 0.373 120.649 120.200 0.128 0.000 2.110 424 E HA -0.254 nan 4.350 nan 0.000 0.193 424 E C 2.504 179.136 176.600 0.052 0.000 0.988 424 E CA 2.236 58.770 56.400 0.223 0.000 0.804 424 E CB -0.347 29.528 29.700 0.292 0.000 0.745 424 E HN -0.799 7.629 8.360 0.114 0.000 0.458 425 L N 0.114 121.350 121.223 0.022 0.000 2.056 425 L HA -0.297 nan 4.340 nan 0.000 0.207 425 L C 1.751 178.569 176.870 -0.087 0.000 1.078 425 L CA 3.047 57.875 54.840 -0.020 0.000 0.749 425 L CB -0.211 41.853 42.059 0.009 0.000 0.901 425 L HN 0.370 8.529 8.230 0.047 0.098 0.433 426 R N -1.292 119.178 120.500 -0.051 0.000 2.081 426 R HA -0.393 nan 4.340 nan 0.000 0.235 426 R C 2.236 178.478 176.300 -0.096 0.000 1.131 426 R CA 2.996 59.060 56.100 -0.060 0.000 0.960 426 R CB -0.793 29.496 30.300 -0.019 0.000 0.856 426 R HN 0.286 8.348 8.270 -0.013 0.200 0.436 427 E N -0.625 119.528 120.200 -0.079 0.000 2.077 427 E HA -0.315 nan 4.350 nan 0.000 0.193 427 E C 2.399 178.844 176.600 -0.259 0.000 0.989 427 E CA 3.199 59.555 56.400 -0.073 0.000 0.800 427 E CB -0.132 29.635 29.700 0.112 0.000 0.746 427 E HN -0.049 8.292 8.360 -0.031 0.000 0.452 428 S N -0.209 115.151 115.700 -0.567 0.000 2.383 428 S HA -0.267 nan 4.470 nan 0.000 0.227 428 S C 2.340 176.615 174.600 -0.541 0.000 1.026 428 S CA 3.313 61.032 58.200 -0.802 0.000 0.981 428 S CB -0.032 62.494 63.200 -1.123 0.000 0.818 428 S HN -0.393 7.581 8.310 -0.561 0.000 0.472 429 I N 3.028 123.371 120.570 -0.380 0.000 2.208 429 I HA -0.522 nan 4.170 nan 0.000 0.245 429 I C 1.836 177.814 176.117 -0.232 0.000 1.097 429 I CA 4.254 65.372 61.300 -0.303 0.000 1.363 429 I CB -0.428 37.459 38.000 -0.187 0.000 1.051 429 I HN 0.463 8.480 8.210 -0.321 0.000 0.413 430 E N -0.494 119.598 120.200 -0.179 0.000 2.110 430 E HA -0.295 nan 4.350 nan 0.000 0.193 430 E C 2.792 179.322 176.600 -0.117 0.000 0.988 430 E CA 2.955 59.285 56.400 -0.117 0.000 0.804 430 E CB -0.647 29.007 29.700 -0.076 0.000 0.745 430 E HN -0.391 7.770 8.360 -0.183 0.089 0.458 431 I N 0.079 120.553 120.570 -0.160 0.000 2.252 431 I HA -0.433 nan 4.170 nan 0.000 0.245 431 I C 1.995 178.035 176.117 -0.128 0.000 1.102 431 I CA 3.902 65.126 61.300 -0.126 0.000 1.385 431 I CB -0.064 37.853 38.000 -0.139 0.000 1.064 431 I HN -0.591 7.372 8.210 -0.215 0.118 0.414 432 I N 0.286 120.721 120.570 -0.225 0.000 2.179 432 I HA -0.688 nan 4.170 nan 0.000 0.242 432 I C 1.781 177.856 176.117 -0.069 0.000 1.088 432 I CA 4.762 65.944 61.300 -0.197 0.000 1.357 432 I CB -0.507 37.233 38.000 -0.433 0.000 1.051 432 I HN 0.210 8.154 8.210 -0.315 0.077 0.409 433 N N -0.050 118.598 118.700 -0.086 0.000 2.043 433 N HA -0.348 nan 4.740 nan 0.000 0.193 433 N C 2.160 177.670 175.510 -0.001 0.000 1.037 433 N CA 3.534 56.564 53.050 -0.032 0.000 0.851 433 N CB -0.303 38.155 38.487 -0.048 0.000 1.027 433 N HN 0.075 8.373 8.380 -0.137 0.000 0.422 434 K N -1.316 119.073 120.400 -0.019 0.000 2.147 434 K HA -0.249 nan 4.320 nan 0.000 0.205 434 K C 1.396 177.998 176.600 0.004 0.000 1.049 434 K CA 2.863 59.141 56.287 -0.015 0.000 0.936 434 K CB -0.532 31.951 32.500 -0.028 0.000 0.722 434 K HN -0.102 8.123 8.250 -0.042 0.000 0.446 435 T N 0.445 115.022 114.554 0.038 0.000 2.732 435 T HA -0.105 nan 4.350 nan 0.000 0.261 435 T C 2.468 177.329 174.700 0.270 0.000 1.040 435 T CA 3.326 65.487 62.100 0.102 0.000 1.145 435 T CB -0.010 68.947 68.868 0.148 0.000 0.866 435 T HN -0.580 7.662 8.240 0.022 0.011 0.427 436 I N 2.570 123.309 120.570 0.281 0.000 2.163 436 I HA -0.359 nan 4.170 nan 0.000 0.243 436 I C 1.800 178.075 176.117 0.263 0.000 1.085 436 I CA 2.574 64.093 61.300 0.365 0.000 1.347 436 I CB -1.003 37.141 38.000 0.241 0.000 1.044 436 I HN 0.220 8.541 8.210 0.184 0.000 0.408 437 L N -2.154 119.140 121.223 0.119 0.000 2.650 437 L HA -0.164 nan 4.340 nan 0.000 0.235 437 L C 0.777 177.644 176.870 -0.005 0.000 1.149 437 L CA 1.434 56.297 54.840 0.038 0.000 0.887 437 L CB -0.801 41.265 42.059 0.011 0.000 1.021 437 L HN 0.126 8.416 8.230 0.099 0.000 0.441 438 S N -1.383 114.306 115.700 -0.019 0.000 2.556 438 S HA 0.010 nan 4.470 nan 0.000 0.216 438 S C -0.045 174.400 174.600 -0.258 0.000 0.970 438 S CA 0.993 59.099 58.200 -0.156 0.000 0.912 438 S CB 0.715 63.778 63.200 -0.227 0.000 0.790 438 S HN -0.425 7.725 8.310 0.057 0.195 0.504 439 F N 0.000 119.866 119.950 -0.141 0.000 2.286 439 F HA 0.000 nan 4.527 nan 0.000 0.279 439 F CA 0.000 57.869 58.000 -0.219 0.000 1.383 439 F CB 0.000 38.770 39.000 -0.383 0.000 1.145 439 F HN 0.000 8.335 8.300 0.142 0.051 0.574