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 3cc9_1_B DATA FIRST_RESID 35 DATA SEQUENCE AFFRNMYDKY RDAFLSHLNE YSLEEEIKEH ISKYYKLLFD YNCLGGKNNR DATA SEQUENCE GILVILIYEY VKNRDINSSE WEKAACLAWC IEILQAAFLV ADDIMDKGEM DATA SEQUENCE RRNKYCWYLL KDVETKNAVN DVLLLYNSIY KLIEIYLRNE SCYVDVIATF DATA SEQUENCE RDATLKTIIG QHLDTNIFSD KYSDAHREID VNNINXPEQP VIDINMINFG DATA SEQUENCE VYKNIVIHKT AYYSFFLPIV CGMLLAGIXX DNLIYKKIED ISMLMGEYFQ DATA SEQUENCE IHDDYLDIFG DSTKTGKVXS DIQNNKLTWP LIKTFELCSE PDKIKIVKNY DATA SEQUENCE GKNNLACVKV IDSLYEQYKI RKHYESYEKA QKAKILSAIN ELHHEGIEYV DATA SEQUENCE LKYLLEILFT GV 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 35 A HA 0.000 nan 4.320 nan 0.000 0.244 35 A C 0.000 177.690 177.584 0.177 0.000 1.274 35 A CA 0.000 52.131 52.037 0.157 0.000 0.836 35 A CB 0.000 19.074 19.000 0.123 0.000 0.831 36 F N 0.668 120.661 119.950 0.073 0.000 2.102 36 F HA -0.056 4.474 4.527 0.005 0.000 0.298 36 F C 1.851 177.743 175.800 0.154 0.000 1.105 36 F CA 2.642 60.675 58.000 0.055 0.000 1.239 36 F CB -0.305 38.667 39.000 -0.047 0.000 0.991 36 F HN 0.299 nan 8.300 nan 0.000 0.474 37 F N 2.100 121.873 119.950 -0.296 0.000 2.095 37 F HA -0.176 4.353 4.527 0.004 0.000 0.298 37 F C 2.620 178.442 175.800 0.036 0.000 1.104 37 F CA 2.889 60.706 58.000 -0.306 0.000 1.232 37 F CB -1.315 37.565 39.000 -0.200 0.000 0.987 37 F HN -0.022 nan 8.300 nan 0.000 0.475 38 R N 0.591 121.031 120.500 -0.099 0.000 2.115 38 R HA -0.109 4.234 4.340 0.004 0.000 0.230 38 R C 1.774 178.111 176.300 0.062 0.000 1.111 38 R CA 1.743 57.842 56.100 -0.002 0.000 0.976 38 R CB -1.998 28.342 30.300 0.065 0.000 0.870 38 R HN 0.509 nan 8.270 nan 0.000 0.445 39 N N 0.258 118.964 118.700 0.010 0.000 2.396 39 N HA -0.033 4.709 4.740 0.004 0.000 0.180 39 N C 1.342 176.817 175.510 -0.059 0.000 1.028 39 N CA 1.181 54.229 53.050 -0.003 0.000 0.893 39 N CB 0.133 38.633 38.487 0.022 0.000 0.967 39 N HN 0.309 nan 8.380 nan 0.000 0.440 40 M N -0.602 118.947 119.600 -0.085 0.000 2.618 40 M HA 0.026 4.509 4.480 0.004 0.000 0.240 40 M C 1.372 177.519 176.300 -0.254 0.000 1.123 40 M CA 0.142 55.352 55.300 -0.151 0.000 1.060 40 M CB -0.834 31.723 32.600 -0.071 0.000 1.535 40 M HN 0.125 nan 8.290 nan 0.000 0.507 41 Y N 2.434 122.498 120.300 -0.393 0.000 2.081 41 Y HA -0.285 4.268 4.550 0.004 0.000 0.280 41 Y C 1.849 177.339 175.900 -0.684 0.000 1.163 41 Y CA 2.016 59.526 58.100 -0.983 0.000 1.135 41 Y CB -0.309 37.602 38.460 -0.915 0.000 0.970 41 Y HN 0.244 nan 8.280 nan 0.000 0.498 42 D N 0.353 120.370 120.400 -0.639 0.000 2.144 42 D HA -0.210 4.432 4.640 0.004 0.000 0.199 42 D C 2.133 178.103 176.300 -0.551 0.000 0.984 42 D CA 1.609 55.251 54.000 -0.597 0.000 0.834 42 D CB -0.355 40.285 40.800 -0.267 0.000 0.955 42 D HN 0.488 nan 8.370 nan 0.000 0.465 43 K N 0.230 120.300 120.400 -0.549 0.000 2.044 43 K HA -0.219 4.104 4.320 0.004 0.000 0.210 43 K C 2.050 178.318 176.600 -0.554 0.000 1.049 43 K CA 1.351 57.300 56.287 -0.564 0.000 0.927 43 K CB -0.190 31.860 32.500 -0.749 0.000 0.713 43 K HN 0.135 nan 8.250 nan 0.000 0.443 44 Y N 0.505 120.570 120.300 -0.391 0.000 2.286 44 Y HA -0.002 4.550 4.550 0.004 0.000 0.293 44 Y C 2.588 178.235 175.900 -0.422 0.000 1.124 44 Y CA 1.111 59.013 58.100 -0.330 0.000 1.178 44 Y CB -0.507 37.741 38.460 -0.354 0.000 1.010 44 Y HN 0.110 nan 8.280 nan 0.000 0.536 45 R N 0.678 120.812 120.500 -0.610 0.000 2.073 45 R HA -0.174 4.168 4.340 0.004 0.000 0.234 45 R C 1.248 177.267 176.300 -0.468 0.000 1.134 45 R CA 2.146 57.799 56.100 -0.744 0.000 0.952 45 R CB -0.288 29.404 30.300 -1.014 0.000 0.850 45 R HN 0.250 nan 8.270 nan 0.000 0.433 46 D N 0.178 120.360 120.400 -0.363 0.000 2.224 46 D HA -0.056 4.587 4.640 0.004 0.000 0.205 46 D C 1.689 177.899 176.300 -0.151 0.000 0.965 46 D CA 1.153 55.015 54.000 -0.229 0.000 0.852 46 D CB -0.106 40.572 40.800 -0.204 0.000 0.947 46 D HN 0.386 nan 8.370 nan 0.000 0.494 47 A N 0.429 123.188 122.820 -0.101 0.000 1.902 47 A HA -0.176 4.146 4.320 0.004 0.000 0.217 47 A C 2.032 179.616 177.584 -0.001 0.000 1.181 47 A CA 0.924 52.955 52.037 -0.010 0.000 0.623 47 A CB -0.855 18.235 19.000 0.150 0.000 0.818 47 A HN 0.251 nan 8.150 nan 0.000 0.443 48 F N 0.321 120.174 119.950 -0.162 0.000 2.234 48 F HA 0.024 4.553 4.527 0.004 0.000 0.296 48 F C 1.842 177.555 175.800 -0.144 0.000 1.089 48 F CA 1.158 59.062 58.000 -0.160 0.000 1.343 48 F CB -0.155 38.695 39.000 -0.251 0.000 1.040 48 F HN 0.111 nan 8.300 nan 0.000 0.498 49 L N -0.767 120.325 121.223 -0.217 0.000 2.083 49 L HA -0.211 4.131 4.340 0.004 0.000 0.209 49 L C 2.482 179.204 176.870 -0.248 0.000 1.083 49 L CA 1.297 55.997 54.840 -0.232 0.000 0.752 49 L CB -0.937 41.043 42.059 -0.132 0.000 0.899 49 L HN 0.062 nan 8.230 nan 0.000 0.433 50 S N -1.241 114.345 115.700 -0.191 0.000 2.368 50 S HA -0.248 4.224 4.470 0.004 0.000 0.225 50 S C 1.868 176.346 174.600 -0.202 0.000 1.030 50 S CA 1.423 59.526 58.200 -0.161 0.000 0.999 50 S CB -0.385 62.750 63.200 -0.108 0.000 0.844 50 S HN 0.553 nan 8.310 nan 0.000 0.459 51 H N 1.947 120.817 119.070 -0.333 0.000 2.290 51 H HA -0.026 4.533 4.556 0.004 0.000 0.298 51 H C 1.829 176.844 175.328 -0.522 0.000 1.087 51 H CA 1.826 57.659 56.048 -0.358 0.000 1.291 51 H CB -0.528 28.994 29.762 -0.400 0.000 1.369 51 H HN 0.274 nan 8.280 nan 0.000 0.492 52 L N 0.250 120.938 121.223 -0.891 0.000 2.079 52 L HA -0.203 4.140 4.340 0.004 0.000 0.210 52 L C 2.507 178.907 176.870 -0.783 0.000 1.081 52 L CA 1.562 55.684 54.840 -1.198 0.000 0.752 52 L CB -0.642 40.923 42.059 -0.823 0.000 0.896 52 L HN 0.528 nan 8.230 nan 0.000 0.433 53 N N 0.370 118.809 118.700 -0.436 0.000 2.453 53 N HA -0.170 4.573 4.740 0.004 0.000 0.183 53 N C 1.400 176.807 175.510 -0.172 0.000 1.041 53 N CA 0.672 53.581 53.050 -0.235 0.000 0.900 53 N CB 0.220 38.610 38.487 -0.162 0.000 0.961 53 N HN 0.506 nan 8.380 nan 0.000 0.443 54 E N -0.607 119.468 120.200 -0.209 0.000 2.435 54 E HA -0.050 4.302 4.350 0.004 0.000 0.195 54 E C -0.189 176.435 176.600 0.041 0.000 1.029 54 E CA -0.001 56.347 56.400 -0.087 0.000 0.865 54 E CB 0.168 29.811 29.700 -0.095 0.000 0.833 54 E HN 0.263 nan 8.360 nan 0.000 0.510 55 Y N 1.389 121.575 120.300 -0.190 0.000 2.578 55 Y HA -0.026 4.527 4.550 0.004 0.000 0.339 55 Y C 0.945 176.792 175.900 -0.087 0.000 1.231 55 Y CA -0.896 57.118 58.100 -0.143 0.000 1.461 55 Y CB 0.400 38.777 38.460 -0.137 0.000 1.323 55 Y HN -0.236 nan 8.280 nan 0.000 0.590 56 S N 4.429 120.168 115.700 0.065 0.000 3.024 56 S HA 0.358 4.831 4.470 0.004 0.000 0.316 56 S C -0.227 174.395 174.600 0.038 0.000 1.197 56 S CA -0.223 57.991 58.200 0.024 0.000 1.097 56 S CB -0.978 62.214 63.200 -0.013 0.000 1.471 56 S HN 0.356 nan 8.310 nan 0.000 0.543 57 L N 1.820 123.071 121.223 0.046 0.000 2.393 57 L HA 0.450 4.793 4.340 0.004 0.000 0.260 57 L C 0.138 177.023 176.870 0.023 0.000 1.002 57 L CA -0.981 53.886 54.840 0.045 0.000 0.818 57 L CB 1.828 43.930 42.059 0.071 0.000 1.369 57 L HN 0.314 nan 8.230 nan 0.000 0.412 58 E N 1.244 121.457 120.200 0.021 0.000 2.415 58 E HA -0.031 4.322 4.350 0.004 0.000 0.262 58 E C 0.181 176.779 176.600 -0.003 0.000 1.038 58 E CA -0.292 56.114 56.400 0.009 0.000 0.921 58 E CB 0.887 30.595 29.700 0.014 0.000 0.950 58 E HN 0.440 nan 8.360 nan 0.000 0.438 59 E N 1.687 121.877 120.200 -0.016 0.000 2.118 59 E HA -0.199 4.153 4.350 0.004 0.000 0.195 59 E C 1.878 178.438 176.600 -0.067 0.000 0.992 59 E CA 1.051 57.430 56.400 -0.035 0.000 0.804 59 E CB -0.072 29.607 29.700 -0.034 0.000 0.741 59 E HN 0.378 nan 8.360 nan 0.000 0.458 60 E N 0.266 120.423 120.200 -0.073 0.000 2.077 60 E HA -0.129 4.224 4.350 0.004 0.000 0.193 60 E C 2.197 178.674 176.600 -0.205 0.000 0.989 60 E CA 0.768 57.075 56.400 -0.155 0.000 0.800 60 E CB -0.230 29.425 29.700 -0.075 0.000 0.746 60 E HN 0.284 nan 8.360 nan 0.000 0.452 61 I N 1.084 121.640 120.570 -0.023 0.000 2.179 61 I HA -0.200 3.973 4.170 0.004 0.000 0.242 61 I C 2.320 178.466 176.117 0.048 0.000 1.088 61 I CA 1.516 62.862 61.300 0.077 0.000 1.357 61 I CB -1.141 36.911 38.000 0.086 0.000 1.051 61 I HN 0.232 nan 8.210 nan 0.000 0.409 62 K N 0.993 121.396 120.400 0.004 0.000 2.103 62 K HA -0.222 4.101 4.320 0.004 0.000 0.207 62 K C 1.849 178.446 176.600 -0.005 0.000 1.048 62 K CA 1.822 58.110 56.287 0.002 0.000 0.930 62 K CB -0.251 32.236 32.500 -0.022 0.000 0.716 62 K HN 0.614 nan 8.250 nan 0.000 0.444 63 E N 0.103 120.260 120.200 -0.072 0.000 2.208 63 E HA -0.162 4.191 4.350 0.004 0.000 0.193 63 E C 1.718 178.309 176.600 -0.015 0.000 0.988 63 E CA 0.776 57.132 56.400 -0.074 0.000 0.828 63 E CB -0.228 29.397 29.700 -0.125 0.000 0.763 63 E HN 0.347 nan 8.360 nan 0.000 0.478 64 H N 1.029 120.135 119.070 0.059 0.000 2.326 64 H HA -0.057 4.502 4.556 0.006 0.000 0.301 64 H C 2.427 177.822 175.328 0.112 0.000 1.081 64 H CA 1.487 57.578 56.048 0.071 0.000 1.334 64 H CB -0.502 29.287 29.762 0.046 0.000 1.385 64 H HN 0.126 nan 8.280 nan 0.000 0.504 65 I N 0.879 121.601 120.570 0.253 0.000 2.151 65 I HA -0.264 3.908 4.170 0.004 0.000 0.243 65 I C 2.930 179.262 176.117 0.357 0.000 1.080 65 I CA 1.643 63.126 61.300 0.305 0.000 1.339 65 I CB -1.127 37.029 38.000 0.260 0.000 1.039 65 I HN 0.574 nan 8.210 nan 0.000 0.409 66 S N -0.626 115.206 115.700 0.219 0.000 2.402 66 S HA -0.250 4.222 4.470 0.004 0.000 0.229 66 S C 2.057 176.774 174.600 0.194 0.000 1.021 66 S CA 1.541 59.852 58.200 0.184 0.000 0.974 66 S CB -0.494 62.750 63.200 0.074 0.000 0.800 66 S HN 0.644 nan 8.310 nan 0.000 0.484 67 K N -0.267 120.243 120.400 0.184 0.000 2.031 67 K HA -0.011 4.312 4.320 0.004 0.000 0.205 67 K C 2.056 178.764 176.600 0.180 0.000 1.049 67 K CA 1.370 57.756 56.287 0.166 0.000 0.939 67 K CB -0.416 32.185 32.500 0.169 0.000 0.717 67 K HN 0.493 nan 8.250 nan 0.000 0.438 68 Y N -0.267 120.069 120.300 0.061 0.000 2.114 68 Y HA -0.285 4.266 4.550 0.002 0.000 0.284 68 Y C 1.704 177.595 175.900 -0.015 0.000 1.143 68 Y CA 1.753 59.828 58.100 -0.041 0.000 1.135 68 Y CB -0.113 38.196 38.460 -0.252 0.000 0.980 68 Y HN 0.095 nan 8.280 nan 0.000 0.499 69 Y N 0.284 120.809 120.300 0.375 0.000 2.395 69 Y HA -0.086 4.467 4.550 0.005 0.000 0.293 69 Y C 2.478 178.587 175.900 0.349 0.000 1.123 69 Y CA 1.385 59.711 58.100 0.376 0.000 1.227 69 Y CB -0.536 38.193 38.460 0.448 0.000 1.012 69 Y HN 0.090 nan 8.280 nan 0.000 0.552 70 K N 0.325 120.927 120.400 0.337 0.000 2.026 70 K HA -0.215 4.108 4.320 0.004 0.000 0.208 70 K C 2.035 178.761 176.600 0.210 0.000 1.048 70 K CA 1.487 57.914 56.287 0.232 0.000 0.929 70 K CB -0.446 32.135 32.500 0.136 0.000 0.713 70 K HN 0.262 nan 8.250 nan 0.000 0.439 71 L N 1.322 122.624 121.223 0.131 0.000 2.056 71 L HA -0.115 4.228 4.340 0.004 0.000 0.207 71 L C 2.157 178.989 176.870 -0.063 0.000 1.078 71 L CA 1.291 56.185 54.840 0.090 0.000 0.749 71 L CB -0.670 41.448 42.059 0.098 0.000 0.901 71 L HN 0.317 nan 8.230 nan 0.000 0.433 72 L N -0.979 120.096 121.223 -0.246 0.000 2.021 72 L HA -0.262 4.080 4.340 0.004 0.000 0.215 72 L C 2.225 178.836 176.870 -0.431 0.000 1.074 72 L CA 2.096 56.532 54.840 -0.673 0.000 0.760 72 L CB -0.847 40.992 42.059 -0.367 0.000 0.889 72 L HN 0.240 nan 8.230 nan 0.000 0.433 73 F N 0.009 119.907 119.950 -0.086 0.000 2.084 73 F HA -0.184 4.347 4.527 0.007 0.000 0.296 73 F C 2.355 178.186 175.800 0.053 0.000 1.111 73 F CA 1.739 59.747 58.000 0.013 0.000 1.224 73 F CB -0.716 38.333 39.000 0.081 0.000 0.991 73 F HN 0.145 nan 8.300 nan 0.000 0.471 74 D N -0.935 119.632 120.400 0.278 0.000 2.092 74 D HA -0.257 4.386 4.640 0.004 0.000 0.193 74 D C 2.015 178.346 176.300 0.051 0.000 0.994 74 D CA 1.471 55.563 54.000 0.153 0.000 0.828 74 D CB -0.879 40.016 40.800 0.157 0.000 0.963 74 D HN 0.288 nan 8.370 nan 0.000 0.450 75 Y N 1.091 121.349 120.300 -0.069 0.000 2.224 75 Y HA -0.157 4.395 4.550 0.004 0.000 0.289 75 Y C 1.758 177.603 175.900 -0.091 0.000 1.146 75 Y CA 1.435 59.498 58.100 -0.063 0.000 1.182 75 Y CB 0.192 38.625 38.460 -0.044 0.000 0.983 75 Y HN -0.017 nan 8.280 nan 0.000 0.524 76 N N -2.280 116.410 118.700 -0.018 0.000 2.348 76 N HA -0.013 4.730 4.740 0.004 0.000 0.183 76 N C 1.320 176.828 175.510 -0.005 0.000 1.094 76 N CA 0.914 53.940 53.050 -0.040 0.000 0.885 76 N CB -0.109 38.269 38.487 -0.181 0.000 1.065 76 N HN 0.300 nan 8.380 nan 0.000 0.472 77 C N 0.858 120.172 119.300 0.023 0.000 2.533 77 C HA 0.324 4.786 4.460 0.004 0.000 0.272 77 C C 1.090 176.133 174.990 0.089 0.000 1.371 77 C CA -0.296 58.800 59.018 0.129 0.000 1.758 77 C CB -0.631 27.272 27.740 0.271 0.000 1.972 77 C HN 0.165 nan 8.230 nan 0.000 0.522 78 L N 0.489 121.668 121.223 -0.073 0.000 2.325 78 L HA 0.675 5.017 4.340 0.004 0.000 0.278 78 L C 1.040 177.874 176.870 -0.061 0.000 1.023 78 L CA 0.632 55.407 54.840 -0.107 0.000 0.811 78 L CB 1.012 42.910 42.059 -0.268 0.000 1.249 78 L HN 0.332 nan 8.230 nan 0.000 0.431 79 G N 1.353 110.142 108.800 -0.019 0.000 2.260 79 G HA2 -0.138 3.825 3.960 0.004 0.000 0.179 79 G HA3 -0.138 3.825 3.960 0.004 0.000 0.179 79 G C 0.343 175.258 174.900 0.025 0.000 1.002 79 G CA -0.354 44.737 45.100 -0.016 0.000 0.677 79 G HN 1.001 nan 8.290 nan 0.000 0.486 80 G N -0.247 108.585 108.800 0.054 0.000 2.563 80 G HA2 0.518 4.480 3.960 0.004 0.000 0.283 80 G HA3 0.518 4.480 3.960 0.004 0.000 0.283 80 G C 0.832 175.776 174.900 0.073 0.000 1.309 80 G CA 0.236 45.382 45.100 0.075 0.000 1.022 80 G HN 0.249 nan 8.290 nan 0.000 0.501 81 K N -0.522 119.925 120.400 0.079 0.000 2.288 81 K HA -0.010 4.312 4.320 0.004 0.000 0.201 81 K C 0.546 177.169 176.600 0.038 0.000 1.048 81 K CA 0.745 57.071 56.287 0.066 0.000 0.956 81 K CB -0.111 32.440 32.500 0.085 0.000 0.746 81 K HN 0.640 nan 8.250 nan 0.000 0.461 82 N N 0.731 119.447 118.700 0.026 0.000 2.725 82 N HA -0.191 4.552 4.740 0.004 0.000 0.249 82 N C 0.117 175.545 175.510 -0.137 0.000 1.103 82 N CA 0.081 53.118 53.050 -0.022 0.000 0.707 82 N CB -0.810 37.736 38.487 0.098 0.000 1.043 82 N HN 0.243 nan 8.380 nan 0.000 0.553 83 N N 0.463 119.084 118.700 -0.131 0.000 2.223 83 N HA -0.076 4.667 4.740 0.004 0.000 0.185 83 N C 1.645 176.988 175.510 -0.279 0.000 1.016 83 N CA 1.149 54.086 53.050 -0.188 0.000 0.863 83 N CB 0.008 38.386 38.487 -0.182 0.000 0.983 83 N HN 0.527 nan 8.380 nan 0.000 0.429 84 R N -0.058 120.258 120.500 -0.307 0.000 2.075 84 R HA 0.062 4.404 4.340 0.004 0.000 0.226 84 R C 2.380 178.485 176.300 -0.325 0.000 1.114 84 R CA 1.088 56.988 56.100 -0.332 0.000 0.972 84 R CB -0.501 29.625 30.300 -0.290 0.000 0.869 84 R HN 0.165 nan 8.270 nan 0.000 0.437 85 G N 1.279 109.830 108.800 -0.415 0.000 2.418 85 G HA2 -0.222 3.741 3.960 0.004 0.000 0.217 85 G HA3 -0.222 3.741 3.960 0.004 0.000 0.217 85 G C 1.439 175.813 174.900 -0.877 0.000 1.158 85 G CA 0.615 45.257 45.100 -0.763 0.000 0.771 85 G HN 0.142 nan 8.290 nan 0.000 0.545 86 I N 0.020 120.172 120.570 -0.697 0.000 2.394 86 I HA -0.070 4.102 4.170 0.004 0.000 0.251 86 I C 2.502 178.508 176.117 -0.185 0.000 1.136 86 I CA 0.219 61.271 61.300 -0.413 0.000 1.425 86 I CB -0.093 37.773 38.000 -0.223 0.000 1.079 86 I HN 0.134 nan 8.210 nan 0.000 0.425 87 L N 0.485 121.599 121.223 -0.182 0.000 2.046 87 L HA -0.165 4.177 4.340 0.004 0.000 0.208 87 L C 2.443 179.280 176.870 -0.056 0.000 1.077 87 L CA 1.782 56.566 54.840 -0.094 0.000 0.747 87 L CB -0.549 41.433 42.059 -0.129 0.000 0.896 87 L HN -0.011 nan 8.230 nan 0.000 0.432 88 V N -0.691 119.154 119.914 -0.114 0.000 2.231 88 V HA -0.377 3.746 4.120 0.004 0.000 0.248 88 V C 2.665 178.801 176.094 0.070 0.000 1.054 88 V CA 2.133 64.402 62.300 -0.052 0.000 1.015 88 V CB -0.728 31.031 31.823 -0.108 0.000 0.638 88 V HN 0.406 nan 8.190 nan 0.000 0.444 89 I N -0.527 120.075 120.570 0.053 0.000 2.163 89 I HA -0.226 3.946 4.170 0.004 0.000 0.243 89 I C 2.315 178.662 176.117 0.383 0.000 1.085 89 I CA 1.504 62.974 61.300 0.283 0.000 1.347 89 I CB -1.118 36.990 38.000 0.180 0.000 1.044 89 I HN 0.346 nan 8.210 nan 0.000 0.408 90 L N -0.396 120.982 121.223 0.259 0.000 2.056 90 L HA -0.170 4.172 4.340 0.004 0.000 0.207 90 L C 2.792 179.890 176.870 0.380 0.000 1.078 90 L CA 1.186 56.237 54.840 0.352 0.000 0.749 90 L CB -0.729 41.469 42.059 0.233 0.000 0.901 90 L HN 0.228 nan 8.230 nan 0.000 0.433 91 I N -1.211 119.497 120.570 0.230 0.000 2.179 91 I HA -0.297 3.876 4.170 0.004 0.000 0.242 91 I C 2.448 178.670 176.117 0.175 0.000 1.088 91 I CA 1.156 62.558 61.300 0.170 0.000 1.357 91 I CB -1.086 36.957 38.000 0.071 0.000 1.051 91 I HN 0.360 nan 8.210 nan 0.000 0.409 92 Y N 1.196 121.532 120.300 0.061 0.000 2.151 92 Y HA -0.314 4.239 4.550 0.005 0.000 0.284 92 Y C 2.598 178.453 175.900 -0.075 0.000 1.166 92 Y CA 2.451 60.535 58.100 -0.027 0.000 1.163 92 Y CB -0.452 37.974 38.460 -0.057 0.000 0.974 92 Y HN 0.390 nan 8.280 nan 0.000 0.511 93 E N -1.432 118.765 120.200 -0.005 0.000 2.028 93 E HA -0.211 4.141 4.350 0.004 0.000 0.190 93 E C 1.559 178.009 176.600 -0.251 0.000 0.984 93 E CA 1.321 57.617 56.400 -0.172 0.000 0.800 93 E CB -0.399 29.331 29.700 0.051 0.000 0.758 93 E HN 0.605 nan 8.360 nan 0.000 0.448 94 Y N -0.505 119.814 120.300 0.031 0.000 2.490 94 Y HA 0.089 4.641 4.550 0.004 0.000 0.281 94 Y C 1.963 177.903 175.900 0.067 0.000 1.174 94 Y CA 0.390 58.517 58.100 0.044 0.000 1.295 94 Y CB -0.052 38.471 38.460 0.106 0.000 1.062 94 Y HN 0.098 nan 8.280 nan 0.000 0.522 95 V N 0.302 120.286 119.914 0.116 0.000 2.324 95 V HA -0.218 3.905 4.120 0.004 0.000 0.250 95 V C 1.005 177.191 176.094 0.152 0.000 1.060 95 V CA 2.159 64.515 62.300 0.093 0.000 1.042 95 V CB -0.161 31.647 31.823 -0.025 0.000 0.650 95 V HN 0.242 nan 8.190 nan 0.000 0.450 96 K N 0.126 120.526 120.400 0.001 0.000 2.550 96 K HA 0.382 4.705 4.320 0.004 0.000 0.252 96 K C -1.073 175.462 176.600 -0.108 0.000 0.943 96 K CA -0.785 55.480 56.287 -0.038 0.000 0.806 96 K CB 1.408 33.876 32.500 -0.054 0.000 1.289 96 K HN 0.345 nan 8.250 nan 0.000 0.435 97 N N 3.956 122.600 118.700 -0.092 0.000 2.423 97 N HA 0.027 4.770 4.740 0.004 0.000 0.275 97 N C -1.129 174.312 175.510 -0.115 0.000 1.283 97 N CA 0.394 53.373 53.050 -0.118 0.000 0.932 97 N CB 0.244 38.678 38.487 -0.088 0.000 1.185 97 N HN 0.666 nan 8.380 nan 0.000 0.483 98 R N -0.399 120.016 120.500 -0.141 0.000 2.733 98 R HA 0.503 4.845 4.340 0.004 0.000 0.272 98 R C -1.370 174.855 176.300 -0.124 0.000 1.029 98 R CA -0.715 55.309 56.100 -0.127 0.000 0.888 98 R CB -0.015 30.197 30.300 -0.147 0.000 1.251 98 R HN 0.267 nan 8.270 nan 0.000 0.464 99 D N 1.546 121.889 120.400 -0.095 0.000 2.304 99 D HA 0.566 5.209 4.640 0.004 0.000 0.250 99 D C -0.053 176.187 176.300 -0.100 0.000 1.107 99 D CA -0.319 53.640 54.000 -0.068 0.000 0.885 99 D CB 0.786 41.563 40.800 -0.038 0.000 1.192 99 D HN 0.384 nan 8.370 nan 0.000 0.436 100 I N 1.387 121.917 120.570 -0.068 0.000 2.468 100 I HA 0.269 4.442 4.170 0.004 0.000 0.285 100 I C -0.142 175.998 176.117 0.039 0.000 1.039 100 I CA -1.012 60.201 61.300 -0.144 0.000 1.074 100 I CB 1.807 39.518 38.000 -0.481 0.000 1.228 100 I HN 0.630 nan 8.210 nan 0.000 0.436 101 N N 3.179 121.905 118.700 0.043 0.000 2.379 101 N HA 0.174 4.916 4.740 0.004 0.000 0.260 101 N C 0.990 176.643 175.510 0.238 0.000 1.254 101 N CA -0.242 52.886 53.050 0.130 0.000 0.958 101 N CB 0.612 39.147 38.487 0.080 0.000 1.208 101 N HN 0.543 nan 8.380 nan 0.000 0.532 102 S N -1.131 114.709 115.700 0.234 0.000 2.402 102 S HA -0.184 4.288 4.470 0.004 0.000 0.229 102 S C 1.707 176.475 174.600 0.280 0.000 1.021 102 S CA 0.884 59.257 58.200 0.288 0.000 0.974 102 S CB -1.122 62.190 63.200 0.187 0.000 0.800 102 S HN 0.726 nan 8.310 nan 0.000 0.484 103 S N 1.920 117.737 115.700 0.195 0.000 2.406 103 S HA -0.027 4.445 4.470 0.004 0.000 0.228 103 S C 1.724 176.426 174.600 0.171 0.000 1.020 103 S CA 0.788 59.094 58.200 0.177 0.000 0.965 103 S CB -0.554 62.723 63.200 0.129 0.000 0.798 103 S HN 0.633 nan 8.310 nan 0.000 0.488 104 E N 0.397 120.681 120.200 0.140 0.000 2.106 104 E HA -0.090 4.263 4.350 0.004 0.000 0.192 104 E C 1.581 178.224 176.600 0.071 0.000 0.984 104 E CA 1.254 57.703 56.400 0.082 0.000 0.806 104 E CB -0.228 29.489 29.700 0.029 0.000 0.750 104 E HN 0.727 nan 8.360 nan 0.000 0.458 105 W N 1.461 122.881 121.300 0.201 0.000 2.402 105 W HA -0.102 4.560 4.660 0.004 0.000 0.286 105 W C 2.290 178.954 176.519 0.243 0.000 1.221 105 W CA 0.602 58.093 57.345 0.244 0.000 1.257 105 W CB 0.161 29.777 29.460 0.261 0.000 1.120 105 W HN 0.147 nan 8.180 nan 0.000 0.551 106 E N 1.071 121.527 120.200 0.427 0.000 2.110 106 E HA -0.230 4.123 4.350 0.004 0.000 0.193 106 E C 1.747 178.441 176.600 0.157 0.000 0.988 106 E CA 1.261 57.850 56.400 0.315 0.000 0.804 106 E CB -0.027 29.823 29.700 0.250 0.000 0.745 106 E HN 0.278 nan 8.360 nan 0.000 0.458 107 K N -0.010 120.444 120.400 0.091 0.000 2.103 107 K HA -0.036 4.286 4.320 0.004 0.000 0.204 107 K C 2.142 178.665 176.600 -0.127 0.000 1.052 107 K CA 0.892 57.173 56.287 -0.011 0.000 0.945 107 K CB -0.016 32.484 32.500 -0.000 0.000 0.722 107 K HN 0.097 nan 8.250 nan 0.000 0.443 108 A N 1.628 124.332 122.820 -0.194 0.000 1.897 108 A HA -0.015 4.308 4.320 0.004 0.000 0.215 108 A C 2.376 179.952 177.584 -0.013 0.000 1.181 108 A CA 1.558 53.432 52.037 -0.272 0.000 0.620 108 A CB -0.571 18.087 19.000 -0.569 0.000 0.821 108 A HN 0.290 nan 8.150 nan 0.000 0.443 109 A N -1.112 121.803 122.820 0.160 0.000 2.015 109 A HA -0.143 4.179 4.320 0.004 0.000 0.219 109 A C 2.303 179.800 177.584 -0.145 0.000 1.163 109 A CA 1.517 53.672 52.037 0.197 0.000 0.646 109 A CB -1.313 17.887 19.000 0.334 0.000 0.806 109 A HN 0.777 nan 8.150 nan 0.000 0.448 110 C N -0.337 118.637 119.300 -0.543 0.000 2.436 110 C HA -0.055 4.408 4.460 0.004 0.000 0.277 110 C C 2.563 177.337 174.990 -0.359 0.000 1.241 110 C CA 1.277 59.709 59.018 -0.977 0.000 1.721 110 C CB -1.455 25.838 27.740 -0.744 0.000 2.043 110 C HN 0.590 nan 8.230 nan 0.000 0.472 111 L N 1.252 122.377 121.223 -0.163 0.000 2.083 111 L HA -0.074 4.269 4.340 0.004 0.000 0.209 111 L C 3.050 179.955 176.870 0.059 0.000 1.083 111 L CA 1.572 56.415 54.840 0.006 0.000 0.752 111 L CB -0.936 41.149 42.059 0.044 0.000 0.899 111 L HN 0.501 nan 8.230 nan 0.000 0.433 112 A N -0.436 122.379 122.820 -0.008 0.000 1.902 112 A HA -0.238 4.085 4.320 0.004 0.000 0.217 112 A C 1.953 179.582 177.584 0.074 0.000 1.181 112 A CA 1.510 53.508 52.037 -0.065 0.000 0.623 112 A CB -0.930 17.961 19.000 -0.182 0.000 0.818 112 A HN 0.529 nan 8.150 nan 0.000 0.443 113 W N -0.981 120.449 121.300 0.216 0.000 2.467 113 W HA -0.098 4.564 4.660 0.003 0.000 0.275 113 W C 2.474 179.029 176.519 0.060 0.000 1.239 113 W CA 0.625 58.068 57.345 0.164 0.000 1.266 113 W CB -0.304 29.150 29.460 -0.010 0.000 1.112 113 W HN 0.355 nan 8.180 nan 0.000 0.576 114 C N -0.152 119.260 119.300 0.186 0.000 2.425 114 C HA -0.181 4.282 4.460 0.004 0.000 0.277 114 C C 2.438 177.555 174.990 0.212 0.000 1.280 114 C CA 0.735 59.791 59.018 0.063 0.000 1.744 114 C CB -1.298 26.329 27.740 -0.189 0.000 1.989 114 C HN 0.291 nan 8.230 nan 0.000 0.491 115 I N 0.511 121.247 120.570 0.277 0.000 2.546 115 I HA -0.103 4.070 4.170 0.004 0.000 0.255 115 I C 2.407 178.628 176.117 0.174 0.000 1.163 115 I CA 1.115 62.551 61.300 0.228 0.000 1.457 115 I CB -0.626 37.418 38.000 0.073 0.000 1.092 115 I HN 0.357 nan 8.210 nan 0.000 0.434 116 E N 1.104 121.424 120.200 0.201 0.000 2.152 116 E HA -0.072 4.281 4.350 0.004 0.000 0.192 116 E C 2.302 179.055 176.600 0.255 0.000 0.983 116 E CA 0.967 57.512 56.400 0.241 0.000 0.818 116 E CB -0.035 29.848 29.700 0.304 0.000 0.758 116 E HN 0.526 nan 8.360 nan 0.000 0.467 117 I N 0.797 121.521 120.570 0.257 0.000 2.226 117 I HA -0.264 3.908 4.170 0.004 0.000 0.245 117 I C 2.468 178.578 176.117 -0.012 0.000 1.100 117 I CA 0.554 61.931 61.300 0.128 0.000 1.374 117 I CB -0.219 37.847 38.000 0.109 0.000 1.057 117 I HN 0.078 nan 8.210 nan 0.000 0.413 118 L N 0.881 122.087 121.223 -0.029 0.000 2.012 118 L HA -0.271 4.072 4.340 0.004 0.000 0.210 118 L C 2.572 179.196 176.870 -0.409 0.000 1.073 118 L CA 2.001 56.692 54.840 -0.247 0.000 0.748 118 L CB -0.742 41.241 42.059 -0.127 0.000 0.891 118 L HN 0.225 nan 8.230 nan 0.000 0.431 119 Q N -0.275 119.509 119.800 -0.027 0.000 2.096 119 Q HA -0.195 4.148 4.340 0.004 0.000 0.204 119 Q C 2.130 178.201 176.000 0.117 0.000 0.982 119 Q CA 2.335 58.245 55.803 0.179 0.000 0.850 119 Q CB -0.528 28.373 28.738 0.272 0.000 0.901 119 Q HN 0.584 nan 8.270 nan 0.000 0.422 120 A N 0.202 123.059 122.820 0.062 0.000 1.940 120 A HA -0.075 4.247 4.320 0.004 0.000 0.219 120 A C 2.282 179.857 177.584 -0.015 0.000 1.176 120 A CA 1.970 54.024 52.037 0.029 0.000 0.631 120 A CB -1.149 17.848 19.000 -0.006 0.000 0.814 120 A HN 0.571 nan 8.150 nan 0.000 0.446 121 A N -1.140 121.629 122.820 -0.086 0.000 1.897 121 A HA 0.133 4.455 4.320 0.004 0.000 0.215 121 A C 1.878 179.481 177.584 0.031 0.000 1.181 121 A CA 1.323 53.312 52.037 -0.079 0.000 0.620 121 A CB -0.657 18.263 19.000 -0.133 0.000 0.821 121 A HN 0.398 nan 8.150 nan 0.000 0.443 122 F N 0.649 120.588 119.950 -0.019 0.000 2.126 122 F HA -0.173 4.356 4.527 0.003 0.000 0.299 122 F C 2.198 178.005 175.800 0.012 0.000 1.096 122 F CA 1.347 59.313 58.000 -0.057 0.000 1.255 122 F CB -1.123 37.775 39.000 -0.170 0.000 0.997 122 F HN 0.341 nan 8.300 nan 0.000 0.479 123 L N -1.421 119.950 121.223 0.246 0.000 2.093 123 L HA -0.037 4.305 4.340 0.004 0.000 0.208 123 L C 1.985 178.968 176.870 0.189 0.000 1.085 123 L CA 1.300 56.261 54.840 0.201 0.000 0.755 123 L CB -1.854 40.318 42.059 0.189 0.000 0.904 123 L HN -0.065 nan 8.230 nan 0.000 0.435 124 V N 0.989 121.008 119.914 0.174 0.000 2.295 124 V HA -0.236 3.887 4.120 0.004 0.000 0.246 124 V C 3.057 179.258 176.094 0.177 0.000 1.049 124 V CA 1.841 64.268 62.300 0.212 0.000 1.024 124 V CB -1.369 30.554 31.823 0.167 0.000 0.648 124 V HN 0.650 nan 8.190 nan 0.000 0.447 125 A N 0.057 122.959 122.820 0.136 0.000 1.877 125 A HA -0.298 4.024 4.320 0.004 0.000 0.216 125 A C 2.057 179.670 177.584 0.049 0.000 1.186 125 A CA 2.190 54.280 52.037 0.089 0.000 0.620 125 A CB -0.755 18.308 19.000 0.105 0.000 0.822 125 A HN 0.585 nan 8.150 nan 0.000 0.443 126 D N -0.215 120.231 120.400 0.077 0.000 2.144 126 D HA -0.150 4.493 4.640 0.004 0.000 0.199 126 D C 1.264 177.585 176.300 0.035 0.000 0.984 126 D CA 1.528 55.557 54.000 0.048 0.000 0.834 126 D CB -0.157 40.688 40.800 0.075 0.000 0.955 126 D HN 0.372 nan 8.370 nan 0.000 0.465 127 D N -0.543 119.906 120.400 0.081 0.000 2.183 127 D HA -0.060 4.583 4.640 0.004 0.000 0.203 127 D C 2.233 178.420 176.300 -0.189 0.000 0.969 127 D CA 0.402 54.469 54.000 0.112 0.000 0.842 127 D CB -0.047 40.946 40.800 0.321 0.000 0.957 127 D HN 0.383 nan 8.370 nan 0.000 0.484 128 I N 0.506 120.874 120.570 -0.338 0.000 2.142 128 I HA -0.258 3.915 4.170 0.004 0.000 0.240 128 I C 2.538 178.445 176.117 -0.350 0.000 1.078 128 I CA 0.968 61.890 61.300 -0.630 0.000 1.343 128 I CB -0.232 37.581 38.000 -0.312 0.000 1.046 128 I HN -0.086 nan 8.210 nan 0.000 0.405 129 M N -0.114 119.386 119.600 -0.167 0.000 2.159 129 M HA -0.205 4.277 4.480 0.004 0.000 0.263 129 M C 1.233 177.485 176.300 -0.080 0.000 1.063 129 M CA 1.564 56.804 55.300 -0.100 0.000 1.110 129 M CB -0.362 32.203 32.600 -0.059 0.000 1.374 129 M HN 0.144 nan 8.290 nan 0.000 0.411 130 D N -0.124 120.239 120.400 -0.062 0.000 2.339 130 D HA 0.018 4.660 4.640 0.004 0.000 0.217 130 D C 0.055 176.355 176.300 -0.001 0.000 1.050 130 D CA 0.322 54.310 54.000 -0.020 0.000 0.856 130 D CB 0.225 41.032 40.800 0.011 0.000 0.922 130 D HN -0.008 nan 8.370 nan 0.000 0.518 131 K N 0.835 121.211 120.400 -0.040 0.000 3.419 131 K HA -0.128 4.195 4.320 0.004 0.000 0.272 131 K C 0.413 177.135 176.600 0.203 0.000 0.973 131 K CA 0.501 56.830 56.287 0.071 0.000 0.749 131 K CB -1.746 30.797 32.500 0.071 0.000 1.403 131 K HN 0.278 nan 8.250 nan 0.000 0.456 132 G N 0.390 109.355 108.800 0.275 0.000 2.606 132 G HA2 0.200 4.162 3.960 0.004 0.000 0.252 132 G HA3 0.200 4.162 3.960 0.004 0.000 0.252 132 G C 0.818 175.884 174.900 0.278 0.000 1.206 132 G CA -0.241 45.019 45.100 0.268 0.000 0.861 132 G HN 0.433 nan 8.290 nan 0.000 0.561 133 E N -0.728 119.579 120.200 0.178 0.000 2.280 133 E HA 0.154 4.507 4.350 0.004 0.000 0.197 133 E C 0.362 177.057 176.600 0.159 0.000 0.913 133 E CA 0.216 56.700 56.400 0.140 0.000 0.995 133 E CB 0.275 30.039 29.700 0.107 0.000 0.991 133 E HN 0.280 nan 8.360 nan 0.000 0.484 134 M N 0.587 120.265 119.600 0.131 0.000 2.591 134 M HA 0.526 5.009 4.480 0.004 0.000 0.306 134 M C -0.919 175.450 176.300 0.115 0.000 1.190 134 M CA -0.702 54.663 55.300 0.109 0.000 0.889 134 M CB 2.211 34.838 32.600 0.045 0.000 1.728 134 M HN -0.113 nan 8.290 nan 0.000 0.458 135 R N 0.707 121.275 120.500 0.112 0.000 2.522 135 R HA 0.493 4.836 4.340 0.004 0.000 0.283 135 R C -0.868 175.467 176.300 0.060 0.000 1.074 135 R CA -0.289 55.876 56.100 0.108 0.000 0.925 135 R CB 1.126 31.523 30.300 0.161 0.000 1.205 135 R HN 0.687 nan 8.270 nan 0.000 0.436 136 R N 3.301 123.828 120.500 0.045 0.000 3.416 136 R HA -0.294 4.049 4.340 0.004 0.000 0.263 136 R C -0.569 175.715 176.300 -0.027 0.000 1.053 136 R CA 1.035 57.141 56.100 0.011 0.000 0.705 136 R CB -1.967 28.332 30.300 -0.001 0.000 1.124 136 R HN 1.041 nan 8.270 nan 0.000 0.444 137 N N -1.509 117.178 118.700 -0.022 0.000 2.850 137 N HA -0.230 4.512 4.740 0.004 0.000 0.249 137 N C -0.618 174.832 175.510 -0.100 0.000 1.060 137 N CA 2.024 55.043 53.050 -0.051 0.000 0.825 137 N CB -0.324 38.136 38.487 -0.045 0.000 1.132 137 N HN 0.766 nan 8.380 nan 0.000 0.564 138 K N -1.198 119.147 120.400 -0.091 0.000 2.495 138 K HA 0.368 4.690 4.320 0.004 0.000 0.268 138 K C -0.914 175.687 176.600 0.001 0.000 1.008 138 K CA -0.891 55.317 56.287 -0.132 0.000 0.882 138 K CB 1.079 33.504 32.500 -0.124 0.000 1.443 138 K HN -0.017 nan 8.250 nan 0.000 0.447 139 Y N 0.527 120.922 120.300 0.159 0.000 2.811 139 Y HA -0.086 4.468 4.550 0.007 0.000 0.334 139 Y C 0.659 176.696 175.900 0.228 0.000 1.247 139 Y CA -0.623 57.559 58.100 0.137 0.000 1.526 139 Y CB 0.278 38.787 38.460 0.081 0.000 1.284 139 Y HN 0.393 nan 8.280 nan 0.000 0.586 140 C N 4.649 124.129 119.300 0.299 0.000 2.634 140 C HA -0.188 4.275 4.460 0.004 0.000 0.418 140 C C 2.020 177.149 174.990 0.232 0.000 1.373 140 C CA -0.896 58.295 59.018 0.288 0.000 1.756 140 C CB -0.533 27.351 27.740 0.241 0.000 2.589 140 C HN 1.120 nan 8.230 nan 0.000 0.602 141 W N 2.917 124.319 121.300 0.170 0.000 2.290 141 W HA -0.281 4.383 4.660 0.008 0.000 0.318 141 W C 2.079 178.581 176.519 -0.028 0.000 1.248 141 W CA 2.432 59.778 57.345 0.001 0.000 1.263 141 W CB -0.516 28.989 29.460 0.075 0.000 1.147 141 W HN 1.012 nan 8.180 nan 0.000 0.494 142 Y N -0.065 120.274 120.300 0.064 0.000 2.403 142 Y HA -0.101 4.443 4.550 -0.009 0.000 0.291 142 Y C 2.112 177.941 175.900 -0.119 0.000 1.143 142 Y CA 1.531 59.593 58.100 -0.063 0.000 1.257 142 Y CB -1.292 37.200 38.460 0.054 0.000 0.984 142 Y HN -0.091 nan 8.280 nan 0.000 0.550 143 L N 0.139 120.859 121.223 -0.838 0.000 2.313 143 L HA -0.010 4.333 4.340 0.004 0.000 0.214 143 L C 0.365 176.973 176.870 -0.437 0.000 1.119 143 L CA -0.148 54.281 54.840 -0.685 0.000 0.809 143 L CB -0.262 41.419 42.059 -0.631 0.000 0.933 143 L HN 0.151 nan 8.230 nan 0.000 0.449 144 L N 1.105 122.069 121.223 -0.432 0.000 2.559 144 L HA -0.067 4.275 4.340 0.004 0.000 0.274 144 L C 1.452 178.118 176.870 -0.341 0.000 1.205 144 L CA 0.662 55.257 54.840 -0.409 0.000 0.907 144 L CB 0.162 41.899 42.059 -0.537 0.000 1.153 144 L HN 0.033 nan 8.230 nan 0.000 0.490 145 K N 1.678 121.918 120.400 -0.266 0.000 2.283 145 K HA -0.085 4.238 4.320 0.004 0.000 0.202 145 K C 1.008 177.503 176.600 -0.175 0.000 1.048 145 K CA 0.766 56.936 56.287 -0.195 0.000 0.948 145 K CB 0.056 32.462 32.500 -0.157 0.000 0.742 145 K HN 0.546 nan 8.250 nan 0.000 0.458 146 D N 0.089 120.366 120.400 -0.205 0.000 2.317 146 D HA -0.046 4.596 4.640 0.004 0.000 0.211 146 D C 1.600 177.789 176.300 -0.185 0.000 0.966 146 D CA 0.477 54.375 54.000 -0.169 0.000 0.876 146 D CB 0.569 41.275 40.800 -0.156 0.000 0.927 146 D HN -0.074 nan 8.370 nan 0.000 0.519 147 V N -0.155 119.575 119.914 -0.305 0.000 2.784 147 V HA 0.081 4.203 4.120 0.004 0.000 0.231 147 V C 0.234 176.213 176.094 -0.192 0.000 1.128 147 V CA 0.056 62.149 62.300 -0.344 0.000 1.178 147 V CB -0.019 31.280 31.823 -0.874 0.000 0.943 147 V HN 0.128 nan 8.190 nan 0.000 0.500 148 E N -0.634 119.450 120.200 -0.193 0.000 9.129 148 E HA -0.219 4.134 4.350 0.004 0.000 0.468 148 E C 0.749 177.374 176.600 0.042 0.000 1.365 148 E CA 0.441 56.805 56.400 -0.060 0.000 2.372 148 E CB -0.920 28.752 29.700 -0.047 0.000 1.025 148 E HN 0.402 nan 8.360 nan 0.000 0.292 149 T N 0.760 115.388 114.554 0.123 0.000 2.685 149 T HA -0.296 4.056 4.350 0.004 0.000 0.268 149 T C 1.711 176.461 174.700 0.083 0.000 1.034 149 T CA 2.221 64.396 62.100 0.126 0.000 1.149 149 T CB -0.335 68.580 68.868 0.079 0.000 0.860 149 T HN 0.520 nan 8.240 nan 0.000 0.449 150 K N 1.293 121.726 120.400 0.054 0.000 2.063 150 K HA -0.115 4.207 4.320 0.004 0.000 0.208 150 K C 2.071 178.714 176.600 0.072 0.000 1.048 150 K CA 1.567 57.883 56.287 0.048 0.000 0.928 150 K CB -0.279 32.235 32.500 0.023 0.000 0.713 150 K HN 0.200 nan 8.250 nan 0.000 0.442 151 N N 1.047 119.791 118.700 0.074 0.000 2.250 151 N HA -0.019 4.723 4.740 0.004 0.000 0.181 151 N C 1.963 177.625 175.510 0.253 0.000 1.017 151 N CA 1.262 54.391 53.050 0.132 0.000 0.866 151 N CB -0.152 38.403 38.487 0.114 0.000 0.985 151 N HN 0.389 nan 8.380 nan 0.000 0.429 152 A N 0.960 123.924 122.820 0.241 0.000 1.902 152 A HA -0.087 4.235 4.320 0.004 0.000 0.217 152 A C 2.515 180.261 177.584 0.269 0.000 1.181 152 A CA 1.224 53.481 52.037 0.367 0.000 0.623 152 A CB -0.779 18.439 19.000 0.362 0.000 0.818 152 A HN 0.088 nan 8.150 nan 0.000 0.443 153 V N 0.753 120.771 119.914 0.174 0.000 2.287 153 V HA -0.277 3.845 4.120 0.004 0.000 0.248 153 V C 2.459 178.640 176.094 0.145 0.000 1.053 153 V CA 2.390 64.766 62.300 0.126 0.000 1.027 153 V CB -1.063 30.809 31.823 0.082 0.000 0.646 153 V HN 0.718 nan 8.190 nan 0.000 0.447 154 N N 0.400 119.198 118.700 0.162 0.000 2.166 154 N HA -0.177 4.566 4.740 0.004 0.000 0.186 154 N C 1.426 177.079 175.510 0.238 0.000 1.019 154 N CA 1.631 54.791 53.050 0.182 0.000 0.856 154 N CB -0.258 38.333 38.487 0.173 0.000 0.993 154 N HN 0.470 nan 8.380 nan 0.000 0.426 155 D N -0.684 119.895 120.400 0.298 0.000 2.178 155 D HA -0.066 4.576 4.640 0.004 0.000 0.202 155 D C 1.987 178.385 176.300 0.164 0.000 0.974 155 D CA 0.421 54.611 54.000 0.317 0.000 0.841 155 D CB -0.280 40.783 40.800 0.438 0.000 0.953 155 D HN 0.093 nan 8.370 nan 0.000 0.478 156 V N 0.840 120.844 119.914 0.151 0.000 2.332 156 V HA -0.232 3.890 4.120 0.004 0.000 0.248 156 V C 2.494 178.655 176.094 0.111 0.000 1.055 156 V CA 1.282 63.639 62.300 0.095 0.000 1.038 156 V CB -0.380 31.499 31.823 0.094 0.000 0.651 156 V HN 0.146 nan 8.190 nan 0.000 0.450 157 L N -1.159 120.148 121.223 0.141 0.000 2.156 157 L HA -0.105 4.238 4.340 0.004 0.000 0.208 157 L C 2.226 179.207 176.870 0.185 0.000 1.095 157 L CA 1.203 56.150 54.840 0.179 0.000 0.770 157 L CB -0.483 41.669 42.059 0.156 0.000 0.914 157 L HN 0.292 nan 8.230 nan 0.000 0.439 158 L N -0.753 120.567 121.223 0.162 0.000 1.994 158 L HA -0.203 4.140 4.340 0.004 0.000 0.208 158 L C 2.341 179.210 176.870 -0.002 0.000 1.071 158 L CA 1.638 56.559 54.840 0.136 0.000 0.745 158 L CB -0.240 41.933 42.059 0.190 0.000 0.892 158 L HN 0.101 nan 8.230 nan 0.000 0.431 159 L N -1.594 119.580 121.223 -0.081 0.000 2.012 159 L HA -0.278 4.064 4.340 0.004 0.000 0.210 159 L C 2.530 179.329 176.870 -0.117 0.000 1.073 159 L CA 1.676 56.373 54.840 -0.238 0.000 0.748 159 L CB -0.807 41.086 42.059 -0.276 0.000 0.891 159 L HN 0.365 nan 8.230 nan 0.000 0.431 160 Y N 0.830 121.063 120.300 -0.112 0.000 2.181 160 Y HA -0.241 4.312 4.550 0.005 0.000 0.288 160 Y C 2.482 178.404 175.900 0.037 0.000 1.146 160 Y CA 1.588 59.654 58.100 -0.055 0.000 1.164 160 Y CB -0.298 38.165 38.460 0.005 0.000 0.982 160 Y HN 0.214 nan 8.280 nan 0.000 0.515 161 N N -0.422 118.275 118.700 -0.005 0.000 2.331 161 N HA -0.134 4.609 4.740 0.004 0.000 0.180 161 N C 2.031 177.494 175.510 -0.078 0.000 1.019 161 N CA 1.248 54.303 53.050 0.008 0.000 0.881 161 N CB -0.253 38.311 38.487 0.127 0.000 0.972 161 N HN 0.508 nan 8.380 nan 0.000 0.435 162 S N 1.037 116.556 115.700 -0.302 0.000 2.419 162 S HA -0.059 4.414 4.470 0.004 0.000 0.233 162 S C 2.041 176.388 174.600 -0.421 0.000 1.016 162 S CA 0.457 58.229 58.200 -0.713 0.000 0.974 162 S CB -0.513 61.921 63.200 -1.277 0.000 0.786 162 S HN 0.210 nan 8.310 nan 0.000 0.492 163 I N 0.142 120.458 120.570 -0.423 0.000 2.163 163 I HA -0.202 3.970 4.170 0.004 0.000 0.243 163 I C 2.258 178.002 176.117 -0.621 0.000 1.085 163 I CA 1.770 62.713 61.300 -0.594 0.000 1.347 163 I CB -0.450 37.007 38.000 -0.906 0.000 1.044 163 I HN 0.280 nan 8.210 nan 0.000 0.408 164 Y N 0.273 120.363 120.300 -0.350 0.000 2.337 164 Y HA -0.156 4.396 4.550 0.004 0.000 0.293 164 Y C 2.445 178.278 175.900 -0.112 0.000 1.123 164 Y CA 0.907 58.857 58.100 -0.250 0.000 1.201 164 Y CB -0.359 37.958 38.460 -0.240 0.000 1.011 164 Y HN 0.010 nan 8.280 nan 0.000 0.545 165 K N 1.041 121.464 120.400 0.039 0.000 2.057 165 K HA -0.095 4.228 4.320 0.004 0.000 0.206 165 K C 1.718 178.328 176.600 0.016 0.000 1.050 165 K CA 1.350 57.651 56.287 0.024 0.000 0.935 165 K CB -0.690 31.852 32.500 0.069 0.000 0.715 165 K HN 0.320 nan 8.250 nan 0.000 0.439 166 L N 0.112 121.338 121.223 0.006 0.000 2.056 166 L HA -0.104 4.239 4.340 0.004 0.000 0.207 166 L C 2.307 179.242 176.870 0.110 0.000 1.078 166 L CA 1.192 56.080 54.840 0.081 0.000 0.749 166 L CB -0.318 41.749 42.059 0.014 0.000 0.901 166 L HN 0.155 nan 8.230 nan 0.000 0.433 167 I N -0.425 120.141 120.570 -0.006 0.000 2.315 167 I HA -0.284 3.888 4.170 0.004 0.000 0.248 167 I C 2.580 178.813 176.117 0.193 0.000 1.117 167 I CA 1.185 62.527 61.300 0.070 0.000 1.404 167 I CB -0.276 37.703 38.000 -0.035 0.000 1.071 167 I HN 0.340 nan 8.210 nan 0.000 0.419 168 E N 1.752 122.059 120.200 0.178 0.000 2.031 168 E HA -0.233 4.120 4.350 0.004 0.000 0.193 168 E C 2.345 178.871 176.600 -0.125 0.000 0.994 168 E CA 1.487 57.917 56.400 0.050 0.000 0.800 168 E CB -0.067 29.693 29.700 0.099 0.000 0.752 168 E HN 0.433 nan 8.360 nan 0.000 0.447 169 I N -0.214 120.283 120.570 -0.123 0.000 2.264 169 I HA -0.289 3.884 4.170 0.004 0.000 0.248 169 I C 1.617 177.488 176.117 -0.410 0.000 1.111 169 I CA 1.396 62.511 61.300 -0.309 0.000 1.382 169 I CB -0.135 37.609 38.000 -0.427 0.000 1.060 169 I HN 0.243 nan 8.210 nan 0.000 0.418 170 Y N -1.486 118.796 120.300 -0.030 0.000 2.462 170 Y HA 0.206 4.758 4.550 0.004 0.000 0.253 170 Y C 1.366 177.239 175.900 -0.044 0.000 1.095 170 Y CA 0.017 58.113 58.100 -0.007 0.000 1.283 170 Y CB 0.518 39.004 38.460 0.045 0.000 1.138 170 Y HN -0.021 nan 8.280 nan 0.000 0.522 171 L N -1.227 120.007 121.223 0.018 0.000 3.135 171 L HA 0.282 4.624 4.340 0.004 0.000 0.279 171 L C 1.829 178.459 176.870 -0.399 0.000 1.200 171 L CA 0.161 54.976 54.840 -0.041 0.000 1.016 171 L CB -0.005 42.133 42.059 0.131 0.000 1.391 171 L HN -0.078 nan 8.230 nan 0.000 0.588 172 R N 0.852 120.977 120.500 -0.625 0.000 2.159 172 R HA -0.232 4.111 4.340 0.004 0.000 0.252 172 R C 0.831 176.793 176.300 -0.563 0.000 1.144 172 R CA 2.461 58.011 56.100 -0.917 0.000 0.961 172 R CB -0.084 29.950 30.300 -0.442 0.000 0.877 172 R HN 0.486 nan 8.270 nan 0.000 0.444 173 N N -0.094 118.446 118.700 -0.266 0.000 2.230 173 N HA 0.024 4.767 4.740 0.004 0.000 0.202 173 N C -0.876 174.608 175.510 -0.044 0.000 1.119 173 N CA -0.206 52.774 53.050 -0.118 0.000 0.851 173 N CB 0.571 39.012 38.487 -0.076 0.000 0.990 173 N HN 0.082 nan 8.380 nan 0.000 0.497 174 E N 0.509 120.690 120.200 -0.032 0.000 2.313 174 E HA 0.045 4.397 4.350 0.004 0.000 0.276 174 E C 0.891 177.547 176.600 0.094 0.000 1.031 174 E CA -0.036 56.392 56.400 0.045 0.000 0.857 174 E CB 1.254 30.998 29.700 0.074 0.000 1.040 174 E HN 0.245 nan 8.360 nan 0.000 0.408 175 S N 1.113 116.861 115.700 0.081 0.000 2.383 175 S HA -0.211 4.262 4.470 0.004 0.000 0.229 175 S C 1.973 176.640 174.600 0.111 0.000 1.030 175 S CA 1.433 59.685 58.200 0.087 0.000 1.002 175 S CB -0.747 62.492 63.200 0.064 0.000 0.829 175 S HN 0.735 nan 8.310 nan 0.000 0.467 176 C N -0.553 118.818 119.300 0.118 0.000 2.539 176 C HA 0.312 4.774 4.460 0.004 0.000 0.271 176 C C 2.112 177.194 174.990 0.153 0.000 1.412 176 C CA -0.509 58.578 59.018 0.114 0.000 1.729 176 C CB -2.281 25.522 27.740 0.104 0.000 1.739 176 C HN 0.500 nan 8.230 nan 0.000 0.570 177 Y N 2.633 122.958 120.300 0.043 0.000 2.081 177 Y HA -0.169 4.383 4.550 0.004 0.000 0.280 177 Y C 2.307 178.241 175.900 0.056 0.000 1.163 177 Y CA 2.212 60.340 58.100 0.046 0.000 1.135 177 Y CB -0.702 37.780 38.460 0.036 0.000 0.970 177 Y HN 0.250 nan 8.280 nan 0.000 0.498 178 V N 0.620 120.491 119.914 -0.072 0.000 2.407 178 V HA -0.276 3.847 4.120 0.004 0.000 0.248 178 V C 2.073 178.119 176.094 -0.080 0.000 1.055 178 V CA 2.193 64.396 62.300 -0.161 0.000 1.049 178 V CB -0.648 31.145 31.823 -0.051 0.000 0.662 178 V HN 0.401 nan 8.190 nan 0.000 0.455 179 D N -0.127 120.264 120.400 -0.015 0.000 2.178 179 D HA -0.104 4.538 4.640 0.004 0.000 0.202 179 D C 2.174 178.489 176.300 0.025 0.000 0.974 179 D CA 1.067 55.066 54.000 -0.002 0.000 0.841 179 D CB -0.088 40.710 40.800 -0.004 0.000 0.953 179 D HN 0.337 nan 8.370 nan 0.000 0.478 180 V N 1.670 121.616 119.914 0.053 0.000 2.270 180 V HA -0.226 3.897 4.120 0.004 0.000 0.245 180 V C 2.926 179.157 176.094 0.228 0.000 1.043 180 V CA 1.695 64.077 62.300 0.137 0.000 1.014 180 V CB -0.647 31.276 31.823 0.166 0.000 0.645 180 V HN 0.253 nan 8.190 nan 0.000 0.447 181 I N -0.916 119.708 120.570 0.090 0.000 2.394 181 I HA 0.008 4.181 4.170 0.004 0.000 0.251 181 I C 2.465 178.732 176.117 0.249 0.000 1.136 181 I CA 1.241 62.647 61.300 0.177 0.000 1.425 181 I CB -2.000 36.011 38.000 0.019 0.000 1.079 181 I HN 0.329 nan 8.210 nan 0.000 0.425 182 A N 0.964 123.853 122.820 0.115 0.000 1.969 182 A HA -0.106 4.217 4.320 0.004 0.000 0.218 182 A C 2.365 180.032 177.584 0.138 0.000 1.169 182 A CA 2.237 54.334 52.037 0.100 0.000 0.635 182 A CB -1.392 17.630 19.000 0.036 0.000 0.810 182 A HN 0.603 nan 8.150 nan 0.000 0.445 183 T N -0.674 113.959 114.554 0.132 0.000 2.777 183 T HA -0.072 4.281 4.350 0.004 0.000 0.266 183 T C 1.533 176.298 174.700 0.109 0.000 1.040 183 T CA 1.440 63.589 62.100 0.082 0.000 1.141 183 T CB -0.425 68.428 68.868 -0.025 0.000 0.868 183 T HN 0.401 nan 8.240 nan 0.000 0.444 184 F N 1.375 121.390 119.950 0.108 0.000 2.095 184 F HA -0.047 4.482 4.527 0.004 0.000 0.298 184 F C 2.713 178.677 175.800 0.273 0.000 1.104 184 F CA 1.203 59.291 58.000 0.147 0.000 1.232 184 F CB -0.252 38.753 39.000 0.010 0.000 0.987 184 F HN -0.039 nan 8.300 nan 0.000 0.475 185 R N 0.422 121.209 120.500 0.478 0.000 2.080 185 R HA -0.177 4.166 4.340 0.004 0.000 0.236 185 R C 1.845 178.294 176.300 0.249 0.000 1.137 185 R CA 2.099 58.418 56.100 0.364 0.000 0.943 185 R CB -0.437 29.991 30.300 0.213 0.000 0.846 185 R HN 0.190 nan 8.270 nan 0.000 0.431 186 D N -0.078 120.434 120.400 0.186 0.000 2.144 186 D HA -0.087 4.556 4.640 0.004 0.000 0.200 186 D C 1.675 178.046 176.300 0.118 0.000 0.978 186 D CA 1.357 55.429 54.000 0.120 0.000 0.833 186 D CB -0.209 40.649 40.800 0.097 0.000 0.961 186 D HN 0.343 nan 8.370 nan 0.000 0.470 187 A N 0.333 123.265 122.820 0.187 0.000 1.930 187 A HA -0.137 4.185 4.320 0.004 0.000 0.217 187 A C 2.338 180.080 177.584 0.263 0.000 1.175 187 A CA 1.849 54.031 52.037 0.241 0.000 0.627 187 A CB -0.794 18.374 19.000 0.280 0.000 0.815 187 A HN 0.188 nan 8.150 nan 0.000 0.443 188 T N 0.345 115.081 114.554 0.304 0.000 2.708 188 T HA -0.108 4.244 4.350 0.004 0.000 0.266 188 T C 1.754 176.557 174.700 0.172 0.000 1.037 188 T CA 1.511 63.808 62.100 0.329 0.000 1.146 188 T CB -0.354 68.763 68.868 0.415 0.000 0.865 188 T HN 0.212 nan 8.240 nan 0.000 0.435 189 L N 1.231 122.532 121.223 0.130 0.000 2.013 189 L HA -0.104 4.238 4.340 0.004 0.000 0.212 189 L C 2.397 179.284 176.870 0.028 0.000 1.073 189 L CA 1.741 56.615 54.840 0.055 0.000 0.753 189 L CB -0.642 41.441 42.059 0.040 0.000 0.890 189 L HN 0.210 nan 8.230 nan 0.000 0.432 190 K N -1.400 119.017 120.400 0.030 0.000 2.097 190 K HA -0.128 4.195 4.320 0.004 0.000 0.206 190 K C 1.936 178.592 176.600 0.094 0.000 1.049 190 K CA 1.748 58.064 56.287 0.048 0.000 0.933 190 K CB -0.353 32.074 32.500 -0.122 0.000 0.717 190 K HN 0.374 nan 8.250 nan 0.000 0.442 191 T N 1.779 116.373 114.554 0.066 0.000 2.777 191 T HA -0.071 4.282 4.350 0.004 0.000 0.266 191 T C 1.937 176.570 174.700 -0.111 0.000 1.040 191 T CA 0.982 63.050 62.100 -0.054 0.000 1.141 191 T CB -0.163 68.540 68.868 -0.276 0.000 0.868 191 T HN 0.131 nan 8.240 nan 0.000 0.444 192 I N 0.883 121.418 120.570 -0.060 0.000 2.226 192 I HA -0.152 4.021 4.170 0.004 0.000 0.245 192 I C 2.129 178.236 176.117 -0.016 0.000 1.100 192 I CA 0.935 62.208 61.300 -0.044 0.000 1.374 192 I CB -0.367 37.619 38.000 -0.023 0.000 1.057 192 I HN 0.181 nan 8.210 nan 0.000 0.413 193 I N 0.870 121.427 120.570 -0.021 0.000 2.252 193 I HA -0.156 4.016 4.170 0.004 0.000 0.245 193 I C 2.734 178.846 176.117 -0.009 0.000 1.102 193 I CA 1.666 62.943 61.300 -0.039 0.000 1.385 193 I CB -2.128 35.800 38.000 -0.119 0.000 1.064 193 I HN 0.223 nan 8.210 nan 0.000 0.414 194 G N 0.238 109.046 108.800 0.014 0.000 2.440 194 G HA2 -0.258 3.704 3.960 0.004 0.000 0.218 194 G HA3 -0.258 3.704 3.960 0.004 0.000 0.218 194 G C 1.595 176.481 174.900 -0.023 0.000 1.154 194 G CA 0.349 45.467 45.100 0.029 0.000 0.767 194 G HN 0.304 nan 8.290 nan 0.000 0.552 195 Q N -0.065 119.710 119.800 -0.042 0.000 2.050 195 Q HA -0.139 4.204 4.340 0.004 0.000 0.202 195 Q C 2.209 178.179 176.000 -0.050 0.000 0.980 195 Q CA 1.880 57.645 55.803 -0.064 0.000 0.840 195 Q CB -0.595 28.090 28.738 -0.087 0.000 0.898 195 Q HN 0.781 nan 8.270 nan 0.000 0.424 196 H N 0.327 119.344 119.070 -0.088 0.000 2.319 196 H HA -0.117 4.443 4.556 0.006 0.000 0.297 196 H C 2.033 177.285 175.328 -0.127 0.000 1.097 196 H CA 2.001 58.002 56.048 -0.079 0.000 1.285 196 H CB -0.190 29.545 29.762 -0.045 0.000 1.368 196 H HN 0.136 nan 8.280 nan 0.000 0.495 197 L N -0.465 120.711 121.223 -0.078 0.000 2.109 197 L HA -0.104 4.238 4.340 0.004 0.000 0.207 197 L C 2.248 178.934 176.870 -0.307 0.000 1.086 197 L CA 1.377 56.097 54.840 -0.199 0.000 0.760 197 L CB -0.371 41.642 42.059 -0.076 0.000 0.910 197 L HN 0.339 nan 8.230 nan 0.000 0.437 198 D N -0.432 119.839 120.400 -0.214 0.000 2.178 198 D HA -0.145 4.497 4.640 0.004 0.000 0.202 198 D C 2.046 178.211 176.300 -0.225 0.000 0.974 198 D CA 1.289 55.167 54.000 -0.202 0.000 0.841 198 D CB 0.206 40.932 40.800 -0.123 0.000 0.953 198 D HN 0.127 nan 8.370 nan 0.000 0.478 199 T N -0.461 113.949 114.554 -0.240 0.000 2.896 199 T HA 0.004 4.356 4.350 0.004 0.000 0.263 199 T C 1.307 175.824 174.700 -0.306 0.000 1.050 199 T CA 0.725 62.688 62.100 -0.227 0.000 1.140 199 T CB 0.042 68.790 68.868 -0.199 0.000 0.877 199 T HN 0.159 nan 8.240 nan 0.000 0.457 200 N N 0.137 118.539 118.700 -0.497 0.000 2.171 200 N HA 0.206 4.948 4.740 0.004 0.000 0.212 200 N C 1.296 176.281 175.510 -0.876 0.000 1.184 200 N CA -0.072 52.606 53.050 -0.620 0.000 0.888 200 N CB 0.407 38.448 38.487 -0.744 0.000 1.038 200 N HN 0.189 nan 8.380 nan 0.000 0.517 201 I N 0.398 120.498 120.570 -0.784 0.000 2.335 201 I HA -0.170 4.002 4.170 0.004 0.000 0.251 201 I C 0.652 176.524 176.117 -0.409 0.000 1.129 201 I CA 1.460 62.312 61.300 -0.746 0.000 1.402 201 I CB -0.073 37.530 38.000 -0.663 0.000 1.069 201 I HN -0.077 nan 8.210 nan 0.000 0.424 202 F N -0.012 119.815 119.950 -0.205 0.000 2.639 202 F HA 0.328 4.856 4.527 0.001 0.000 0.302 202 F C 1.426 177.188 175.800 -0.062 0.000 1.097 202 F CA -0.441 57.503 58.000 -0.095 0.000 1.294 202 F CB -1.216 37.749 39.000 -0.059 0.000 1.027 202 F HN -0.006 nan 8.300 nan 0.000 0.550 203 S N -0.929 114.806 115.700 0.059 0.000 2.617 203 S HA 0.117 4.590 4.470 0.004 0.000 0.269 203 S C 1.183 175.855 174.600 0.119 0.000 1.292 203 S CA -0.665 57.572 58.200 0.062 0.000 1.010 203 S CB 1.204 64.401 63.200 -0.006 0.000 0.944 203 S HN 0.127 nan 8.310 nan 0.000 0.536 204 D N 1.757 122.210 120.400 0.090 0.000 2.133 204 D HA -0.209 4.434 4.640 0.004 0.000 0.192 204 D C 1.995 178.355 176.300 0.100 0.000 1.001 204 D CA 2.094 56.143 54.000 0.081 0.000 0.844 204 D CB -0.307 40.526 40.800 0.055 0.000 0.944 204 D HN 0.890 nan 8.370 nan 0.000 0.447 205 K N -0.157 120.319 120.400 0.127 0.000 2.103 205 K HA -0.193 4.129 4.320 0.004 0.000 0.207 205 K C 2.059 178.712 176.600 0.088 0.000 1.048 205 K CA 1.253 57.606 56.287 0.110 0.000 0.930 205 K CB -0.625 31.958 32.500 0.139 0.000 0.716 205 K HN 0.270 nan 8.250 nan 0.000 0.444 206 Y N 1.610 121.903 120.300 -0.011 0.000 2.365 206 Y HA -0.006 4.547 4.550 0.005 0.000 0.293 206 Y C 2.537 178.430 175.900 -0.012 0.000 1.119 206 Y CA 0.931 59.022 58.100 -0.015 0.000 1.203 206 Y CB 0.396 38.853 38.460 -0.006 0.000 1.026 206 Y HN 0.109 nan 8.280 nan 0.000 0.549 207 S N -0.709 115.084 115.700 0.155 0.000 2.395 207 S HA -0.086 4.386 4.470 0.004 0.000 0.225 207 S C 0.083 174.709 174.600 0.043 0.000 1.027 207 S CA 1.000 59.256 58.200 0.092 0.000 0.965 207 S CB -0.145 63.109 63.200 0.089 0.000 0.812 207 S HN 0.299 nan 8.310 nan 0.000 0.482 208 D N 1.246 121.660 120.400 0.024 0.000 2.772 208 D HA 0.505 5.148 4.640 0.004 0.000 0.273 208 D C 0.509 176.756 176.300 -0.089 0.000 1.233 208 D CA -0.133 53.869 54.000 0.004 0.000 0.984 208 D CB 0.470 41.288 40.800 0.030 0.000 1.000 208 D HN 0.202 nan 8.370 nan 0.000 0.514 209 A N 0.285 122.955 122.820 -0.249 0.000 2.248 209 A HA -0.158 4.165 4.320 0.004 0.000 0.210 209 A C 1.116 178.395 177.584 -0.508 0.000 1.174 209 A CA 0.947 52.726 52.037 -0.430 0.000 0.750 209 A CB -0.290 18.382 19.000 -0.547 0.000 0.780 209 A HN 0.451 nan 8.150 nan 0.000 0.478 210 H N -1.501 117.559 119.070 -0.016 0.000 2.740 210 H HA 0.189 4.748 4.556 0.005 0.000 0.265 210 H C 1.147 176.470 175.328 -0.008 0.000 0.978 210 H CA 0.796 56.836 56.048 -0.013 0.000 1.198 210 H CB -0.024 29.734 29.762 -0.007 0.000 1.467 210 H HN 0.550 nan 8.280 nan 0.000 0.511 211 R N 2.540 123.079 120.500 0.064 0.000 2.297 211 R HA 0.233 4.576 4.340 0.004 0.000 0.308 211 R C 0.528 176.834 176.300 0.010 0.000 1.029 211 R CA -0.634 55.490 56.100 0.039 0.000 0.929 211 R CB -0.157 30.165 30.300 0.036 0.000 1.046 211 R HN 0.553 nan 8.270 nan 0.000 0.461 212 E N 1.958 122.165 120.200 0.011 0.000 2.392 212 E HA 0.217 4.569 4.350 0.004 0.000 0.259 212 E C -0.528 176.076 176.600 0.006 0.000 1.108 212 E CA -0.531 55.870 56.400 0.002 0.000 0.916 212 E CB 0.716 30.418 29.700 0.004 0.000 0.989 212 E HN 0.557 nan 8.360 nan 0.000 0.432 213 I N 1.920 122.493 120.570 0.006 0.000 2.668 213 I HA -0.102 4.070 4.170 0.004 0.000 0.285 213 I C 0.460 176.585 176.117 0.013 0.000 1.168 213 I CA 0.312 61.620 61.300 0.014 0.000 1.424 213 I CB 0.088 38.099 38.000 0.019 0.000 1.377 213 I HN 0.541 nan 8.210 nan 0.000 0.560 214 D N 6.890 127.299 120.400 0.015 0.000 2.402 214 D HA 0.047 4.689 4.640 0.004 0.000 0.235 214 D C 1.002 177.309 176.300 0.013 0.000 1.226 214 D CA -0.261 53.747 54.000 0.013 0.000 0.918 214 D CB 1.020 41.828 40.800 0.014 0.000 1.043 214 D HN 0.365 nan 8.370 nan 0.000 0.506 215 V N 1.594 121.514 119.914 0.011 0.000 3.541 215 V HA 0.058 4.181 4.120 0.004 0.000 0.272 215 V C 0.816 176.915 176.094 0.009 0.000 1.215 215 V CA 0.636 62.942 62.300 0.010 0.000 1.176 215 V CB -0.515 31.314 31.823 0.009 0.000 0.854 215 V HN 0.405 nan 8.190 nan 0.000 0.496 216 N N 0.982 119.687 118.700 0.009 0.000 2.184 216 N HA 0.122 4.864 4.740 0.004 0.000 0.206 216 N C 0.016 175.531 175.510 0.008 0.000 1.151 216 N CA 0.022 53.077 53.050 0.008 0.000 0.878 216 N CB 0.286 38.777 38.487 0.007 0.000 1.014 216 N HN 0.472 nan 8.380 nan 0.000 0.512 217 N N 1.833 120.539 118.700 0.010 0.000 2.485 217 N HA 0.172 4.915 4.740 0.004 0.000 0.243 217 N C 0.428 175.944 175.510 0.010 0.000 0.987 217 N CA -0.305 52.751 53.050 0.010 0.000 0.940 217 N CB 0.563 39.057 38.487 0.012 0.000 1.122 217 N HN 0.159 nan 8.380 nan 0.000 0.509 218 I N -0.573 120.002 120.570 0.009 0.000 3.927 218 I HA 0.385 4.558 4.170 0.004 0.000 0.332 218 I C 0.089 176.211 176.117 0.007 0.000 1.485 218 I CA -0.746 60.558 61.300 0.008 0.000 1.131 218 I CB -0.134 37.870 38.000 0.007 0.000 1.092 218 I HN 0.073 nan 8.210 nan 0.000 0.410 222 E N 0.544 120.750 120.200 0.010 0.000 2.404 222 E HA 0.457 4.810 4.350 0.004 0.000 0.261 222 E C 0.475 177.080 176.600 0.008 0.000 1.074 222 E CA -0.001 56.404 56.400 0.008 0.000 0.917 222 E CB 0.018 29.724 29.700 0.010 0.000 0.965 222 E HN 0.550 nan 8.360 nan 0.000 0.433 223 Q N 3.275 123.078 119.800 0.005 0.000 2.618 223 Q HA 0.047 4.389 4.340 0.004 0.000 0.344 223 Q C -1.980 174.024 176.000 0.006 0.000 1.073 223 Q CA -0.474 55.330 55.803 0.003 0.000 1.105 223 Q CB -1.465 27.272 28.738 -0.001 0.000 1.028 223 Q HN 0.309 nan 8.270 nan 0.000 0.397 224 P HA 0.412 nan 4.420 nan 0.000 0.271 224 P C -0.385 176.920 177.300 0.008 0.000 1.216 224 P CA 0.032 63.145 63.100 0.023 0.000 0.771 224 P CB 0.934 32.658 31.700 0.041 0.000 0.864 225 V N 1.322 121.226 119.914 -0.016 0.000 3.126 225 V HA 0.614 4.737 4.120 0.004 0.000 0.314 225 V C 0.428 176.376 176.094 -0.244 0.000 1.138 225 V CA -1.480 60.770 62.300 -0.083 0.000 1.034 225 V CB 1.528 33.308 31.823 -0.072 0.000 1.075 225 V HN 0.546 nan 8.190 nan 0.000 0.442 226 I N -0.471 119.821 120.570 -0.463 0.000 2.720 226 I HA 0.593 4.766 4.170 0.004 0.000 0.287 226 I C -0.484 175.253 176.117 -0.633 0.000 1.090 226 I CA 0.236 60.882 61.300 -1.090 0.000 1.384 226 I CB 0.892 38.218 38.000 -1.123 0.000 1.420 226 I HN 0.739 nan 8.210 nan 0.000 0.575 227 D N 4.517 124.572 120.400 -0.576 0.000 2.381 227 D HA 0.255 4.897 4.640 0.004 0.000 0.235 227 D C 0.898 177.131 176.300 -0.112 0.000 1.068 227 D CA -0.761 53.168 54.000 -0.118 0.000 0.832 227 D CB 1.687 42.569 40.800 0.137 0.000 1.101 227 D HN 0.516 nan 8.370 nan 0.000 0.515 228 I N 1.291 121.772 120.570 -0.149 0.000 2.493 228 I HA -0.077 4.096 4.170 0.004 0.000 0.254 228 I C 1.497 177.577 176.117 -0.062 0.000 1.160 228 I CA 0.645 61.830 61.300 -0.192 0.000 1.445 228 I CB -1.240 36.729 38.000 -0.051 0.000 1.086 228 I HN 0.400 nan 8.210 nan 0.000 0.433 229 N N 0.515 119.222 118.700 0.012 0.000 2.381 229 N HA -0.034 4.709 4.740 0.004 0.000 0.182 229 N C 1.562 177.109 175.510 0.062 0.000 1.025 229 N CA 1.470 54.548 53.050 0.046 0.000 0.888 229 N CB -0.216 38.307 38.487 0.059 0.000 0.965 229 N HN 0.458 nan 8.380 nan 0.000 0.438 230 M N 0.162 119.818 119.600 0.093 0.000 2.465 230 M HA 0.207 4.689 4.480 0.004 0.000 0.249 230 M C 0.553 176.911 176.300 0.096 0.000 1.130 230 M CA 0.054 55.425 55.300 0.117 0.000 1.067 230 M CB -0.153 32.555 32.600 0.180 0.000 1.394 230 M HN -0.072 nan 8.290 nan 0.000 0.483 231 I N 2.923 123.510 120.570 0.029 0.000 2.268 231 I HA -0.021 4.152 4.170 0.004 0.000 0.298 231 I C -0.195 175.911 176.117 -0.017 0.000 1.185 231 I CA -0.183 61.078 61.300 -0.065 0.000 1.548 231 I CB -1.130 36.622 38.000 -0.414 0.000 1.492 231 I HN 0.317 nan 8.210 nan 0.000 0.711 232 N N 2.284 121.019 118.700 0.058 0.000 2.591 232 N HA 0.211 4.954 4.740 0.004 0.000 0.263 232 N C 0.045 175.678 175.510 0.204 0.000 1.308 232 N CA -0.859 52.256 53.050 0.109 0.000 0.837 232 N CB 0.732 39.279 38.487 0.100 0.000 1.548 232 N HN -0.034 nan 8.380 nan 0.000 0.493 233 F N 0.922 120.904 119.950 0.053 0.000 2.293 233 F HA 0.285 4.814 4.527 0.004 0.000 0.300 233 F C 1.983 177.891 175.800 0.180 0.000 1.086 233 F CA 1.671 59.744 58.000 0.121 0.000 1.375 233 F CB -0.583 38.477 39.000 0.100 0.000 1.045 233 F HN 0.769 nan 8.300 nan 0.000 0.516 234 G N -0.146 108.716 108.800 0.103 0.000 2.440 234 G HA2 -0.216 3.747 3.960 0.004 0.000 0.218 234 G HA3 -0.216 3.747 3.960 0.004 0.000 0.218 234 G C 1.818 176.718 174.900 -0.001 0.000 1.154 234 G CA 1.254 46.360 45.100 0.010 0.000 0.767 234 G HN 0.302 nan 8.290 nan 0.000 0.552 235 V N -0.230 119.713 119.914 0.048 0.000 2.307 235 V HA -0.175 3.947 4.120 0.004 0.000 0.245 235 V C 2.260 178.371 176.094 0.028 0.000 1.045 235 V CA 1.732 64.052 62.300 0.035 0.000 1.024 235 V CB -0.758 31.089 31.823 0.039 0.000 0.651 235 V HN 0.461 nan 8.190 nan 0.000 0.449 236 Y N 1.247 121.520 120.300 -0.046 0.000 2.114 236 Y HA -0.307 4.245 4.550 0.003 0.000 0.282 236 Y C 2.546 178.394 175.900 -0.086 0.000 1.165 236 Y CA 2.112 60.196 58.100 -0.027 0.000 1.148 236 Y CB -0.197 38.330 38.460 0.110 0.000 0.972 236 Y HN 0.157 nan 8.280 nan 0.000 0.504 237 K N 0.074 120.378 120.400 -0.159 0.000 2.057 237 K HA -0.201 4.121 4.320 0.004 0.000 0.207 237 K C 1.955 178.495 176.600 -0.099 0.000 1.049 237 K CA 1.659 57.816 56.287 -0.216 0.000 0.931 237 K CB -0.356 31.956 32.500 -0.312 0.000 0.714 237 K HN 0.506 nan 8.250 nan 0.000 0.440 238 N N 0.674 119.351 118.700 -0.039 0.000 2.036 238 N HA -0.201 4.542 4.740 0.004 0.000 0.195 238 N C 1.897 177.471 175.510 0.107 0.000 1.037 238 N CA 1.369 54.459 53.050 0.067 0.000 0.855 238 N CB -0.166 38.339 38.487 0.029 0.000 1.033 238 N HN 0.111 nan 8.380 nan 0.000 0.423 239 I N 0.432 120.978 120.570 -0.041 0.000 2.163 239 I HA -0.215 3.957 4.170 0.004 0.000 0.240 239 I C 2.201 178.281 176.117 -0.061 0.000 1.081 239 I CA 0.939 62.195 61.300 -0.074 0.000 1.353 239 I CB -0.308 37.586 38.000 -0.177 0.000 1.054 239 I HN -0.007 nan 8.210 nan 0.000 0.407 240 V N 0.551 120.342 119.914 -0.204 0.000 2.427 240 V HA -0.221 3.902 4.120 0.004 0.000 0.248 240 V C 2.623 178.709 176.094 -0.013 0.000 1.051 240 V CA 1.334 63.526 62.300 -0.181 0.000 1.048 240 V CB -0.162 31.406 31.823 -0.426 0.000 0.666 240 V HN 0.284 nan 8.190 nan 0.000 0.456 241 I N -0.443 120.123 120.570 -0.007 0.000 2.226 241 I HA -0.244 3.928 4.170 0.004 0.000 0.245 241 I C 2.304 178.455 176.117 0.056 0.000 1.100 241 I CA 1.732 63.025 61.300 -0.012 0.000 1.374 241 I CB -1.269 36.686 38.000 -0.075 0.000 1.057 241 I HN 0.586 nan 8.210 nan 0.000 0.413 242 H N -0.287 118.864 119.070 0.134 0.000 2.372 242 H HA -0.047 4.512 4.556 0.004 0.000 0.301 242 H C 2.315 177.719 175.328 0.126 0.000 1.065 242 H CA 1.585 57.722 56.048 0.149 0.000 1.364 242 H CB -0.144 29.641 29.762 0.039 0.000 1.406 242 H HN 0.273 nan 8.280 nan 0.000 0.521 243 K N -0.281 120.225 120.400 0.175 0.000 2.097 243 K HA -0.101 4.222 4.320 0.004 0.000 0.206 243 K C 1.014 177.739 176.600 0.209 0.000 1.049 243 K CA 1.861 58.209 56.287 0.102 0.000 0.933 243 K CB 0.255 32.776 32.500 0.035 0.000 0.717 243 K HN 0.269 nan 8.250 nan 0.000 0.442 244 T N -1.057 113.624 114.554 0.212 0.000 3.098 244 T HA 0.188 4.540 4.350 0.004 0.000 0.246 244 T C 1.651 176.416 174.700 0.108 0.000 0.983 244 T CA 0.347 62.562 62.100 0.192 0.000 1.094 244 T CB 0.179 69.178 68.868 0.219 0.000 1.035 244 T HN 0.213 nan 8.240 nan 0.000 0.456 245 A N 0.495 123.403 122.820 0.146 0.000 1.930 245 A HA 0.030 4.353 4.320 0.004 0.000 0.217 245 A C 1.940 179.551 177.584 0.045 0.000 1.175 245 A CA 1.259 53.357 52.037 0.101 0.000 0.627 245 A CB -0.900 18.047 19.000 -0.088 0.000 0.815 245 A HN 0.532 nan 8.150 nan 0.000 0.443 246 Y N -1.295 119.074 120.300 0.115 0.000 2.263 246 Y HA -0.178 4.374 4.550 0.004 0.000 0.292 246 Y C 2.361 178.391 175.900 0.218 0.000 1.130 246 Y CA 1.857 60.067 58.100 0.184 0.000 1.179 246 Y CB -0.496 38.049 38.460 0.141 0.000 0.998 246 Y HN 0.650 nan 8.280 nan 0.000 0.532 247 Y N -2.370 118.061 120.300 0.219 0.000 2.448 247 Y HA 0.106 4.658 4.550 0.005 0.000 0.289 247 Y C 1.987 177.869 175.900 -0.030 0.000 1.114 247 Y CA 0.870 59.050 58.100 0.133 0.000 1.235 247 Y CB -0.671 37.952 38.460 0.271 0.000 1.045 247 Y HN -0.142 nan 8.280 nan 0.000 0.554 248 S N -0.287 114.958 115.700 -0.757 0.000 2.458 248 S HA 0.132 4.604 4.470 0.004 0.000 0.223 248 S C 0.853 174.802 174.600 -1.086 0.000 1.019 248 S CA 1.031 58.559 58.200 -1.121 0.000 0.937 248 S CB -0.222 62.150 63.200 -1.381 0.000 0.788 248 S HN 0.506 nan 8.310 nan 0.000 0.511 249 F N -1.462 118.352 119.950 -0.226 0.000 2.421 249 F HA 0.380 4.909 4.527 0.004 0.000 0.270 249 F C 1.518 177.288 175.800 -0.049 0.000 0.894 249 F CA -0.628 57.284 58.000 -0.147 0.000 1.128 249 F CB -0.572 38.343 39.000 -0.141 0.000 1.011 249 F HN 0.059 nan 8.300 nan 0.000 0.788 250 F N 1.241 121.198 119.950 0.011 0.000 2.102 250 F HA -0.151 4.379 4.527 0.004 0.000 0.298 250 F C 2.212 178.009 175.800 -0.005 0.000 1.105 250 F CA 1.227 59.218 58.000 -0.015 0.000 1.239 250 F CB -0.598 38.358 39.000 -0.073 0.000 0.991 250 F HN -0.041 nan 8.300 nan 0.000 0.474 251 L N 1.782 122.986 121.223 -0.032 0.000 1.970 251 L HA -0.110 4.233 4.340 0.004 0.000 0.212 251 L C -0.698 176.004 176.870 -0.280 0.000 1.071 251 L CA 2.299 57.010 54.840 -0.215 0.000 0.751 251 L CB -2.145 39.802 42.059 -0.186 0.000 0.889 251 L HN 0.004 nan 8.230 nan 0.000 0.432 252 P HA -0.191 nan 4.420 nan 0.000 0.215 252 P C 2.136 179.354 177.300 -0.136 0.000 1.153 252 P CA 1.988 64.976 63.100 -0.186 0.000 0.853 252 P CB -0.132 31.450 31.700 -0.196 0.000 0.788 253 I N -0.915 119.580 120.570 -0.125 0.000 2.252 253 I HA -0.169 4.004 4.170 0.004 0.000 0.245 253 I C 2.512 178.560 176.117 -0.116 0.000 1.102 253 I CA 1.128 62.371 61.300 -0.095 0.000 1.385 253 I CB -0.855 37.108 38.000 -0.063 0.000 1.064 253 I HN -0.210 nan 8.210 nan 0.000 0.414 254 V N 0.186 119.967 119.914 -0.221 0.000 2.407 254 V HA -0.299 3.824 4.120 0.004 0.000 0.248 254 V C 2.624 178.686 176.094 -0.054 0.000 1.055 254 V CA 1.686 63.896 62.300 -0.150 0.000 1.049 254 V CB -0.596 30.961 31.823 -0.443 0.000 0.662 254 V HN 0.573 nan 8.190 nan 0.000 0.455 255 C N 0.734 119.971 119.300 -0.104 0.000 2.413 255 C HA -0.119 4.343 4.460 0.004 0.000 0.276 255 C C 2.965 177.970 174.990 0.025 0.000 1.236 255 C CA 1.072 60.070 59.018 -0.034 0.000 1.735 255 C CB -1.657 26.047 27.740 -0.060 0.000 2.031 255 C HN 0.683 nan 8.230 nan 0.000 0.474 256 G N -0.141 108.677 108.800 0.029 0.000 2.418 256 G HA2 -0.231 3.731 3.960 0.004 0.000 0.217 256 G HA3 -0.231 3.731 3.960 0.004 0.000 0.217 256 G C 1.585 176.580 174.900 0.159 0.000 1.158 256 G CA 0.959 46.133 45.100 0.124 0.000 0.771 256 G HN 0.510 nan 8.290 nan 0.000 0.545 257 M N -0.225 119.422 119.600 0.079 0.000 2.077 257 M HA 0.132 4.614 4.480 0.004 0.000 0.261 257 M C 2.608 178.994 176.300 0.144 0.000 1.070 257 M CA 0.964 56.304 55.300 0.067 0.000 1.125 257 M CB -0.445 32.139 32.600 -0.027 0.000 1.339 257 M HN 0.103 nan 8.290 nan 0.000 0.409 258 L N -0.021 121.306 121.223 0.173 0.000 2.043 258 L HA -0.250 4.092 4.340 0.004 0.000 0.212 258 L C 2.519 179.467 176.870 0.131 0.000 1.075 258 L CA 0.949 55.879 54.840 0.149 0.000 0.752 258 L CB -0.613 41.502 42.059 0.093 0.000 0.891 258 L HN 0.311 nan 8.230 nan 0.000 0.432 259 L N -0.176 121.130 121.223 0.138 0.000 2.093 259 L HA -0.086 4.256 4.340 0.004 0.000 0.208 259 L C 2.538 179.560 176.870 0.254 0.000 1.085 259 L CA 1.840 56.773 54.840 0.154 0.000 0.755 259 L CB -0.624 41.466 42.059 0.052 0.000 0.904 259 L HN 0.136 nan 8.230 nan 0.000 0.435 260 A N -0.657 122.317 122.820 0.257 0.000 2.067 260 A HA 0.300 4.623 4.320 0.004 0.000 0.219 260 A C 1.468 179.076 177.584 0.040 0.000 1.158 260 A CA 0.854 52.942 52.037 0.086 0.000 0.661 260 A CB -0.905 18.070 19.000 -0.043 0.000 0.801 260 A HN 0.897 nan 8.150 nan 0.000 0.452 261 G N -0.916 107.931 108.800 0.078 0.000 2.919 261 G HA2 0.020 3.982 3.960 0.004 0.000 0.225 261 G HA3 0.020 3.982 3.960 0.004 0.000 0.225 261 G C -0.353 174.589 174.900 0.070 0.000 1.117 261 G CA 0.085 45.225 45.100 0.066 0.000 1.033 261 G HN 1.345 nan 8.290 nan 0.000 0.532 266 N N 0.368 119.272 118.700 0.339 0.000 2.487 266 N HA 0.559 5.302 4.740 0.004 0.000 0.292 266 N C 1.390 177.058 175.510 0.263 0.000 1.108 266 N CA 0.689 53.892 53.050 0.256 0.000 0.956 266 N CB 1.459 40.051 38.487 0.174 0.000 1.176 266 N HN 0.955 nan 8.380 nan 0.000 0.484 267 L N 3.760 125.073 121.223 0.149 0.000 2.362 267 L HA 0.033 4.375 4.340 0.004 0.000 0.219 267 L C 2.263 179.201 176.870 0.115 0.000 1.134 267 L CA 1.433 56.349 54.840 0.128 0.000 0.807 267 L CB -1.491 40.620 42.059 0.087 0.000 0.927 267 L HN 0.815 nan 8.230 nan 0.000 0.447 268 I N -2.065 118.541 120.570 0.061 0.000 2.454 268 I HA -0.265 3.907 4.170 0.004 0.000 0.254 268 I C 2.619 178.735 176.117 -0.001 0.000 1.156 268 I CA 1.336 62.629 61.300 -0.012 0.000 1.433 268 I CB -0.027 37.911 38.000 -0.103 0.000 1.082 268 I HN 0.523 nan 8.210 nan 0.000 0.432 269 Y N 1.057 121.409 120.300 0.087 0.000 2.165 269 Y HA -0.329 4.223 4.550 0.004 0.000 0.286 269 Y C 2.551 178.577 175.900 0.210 0.000 1.155 269 Y CA 2.026 60.220 58.100 0.157 0.000 1.164 269 Y CB -0.617 37.937 38.460 0.157 0.000 0.978 269 Y HN 0.119 nan 8.280 nan 0.000 0.513 270 K N 0.871 121.438 120.400 0.278 0.000 2.057 270 K HA -0.143 4.179 4.320 0.004 0.000 0.206 270 K C 2.365 179.011 176.600 0.077 0.000 1.050 270 K CA 2.017 58.392 56.287 0.147 0.000 0.935 270 K CB -0.370 32.193 32.500 0.107 0.000 0.715 270 K HN 0.153 nan 8.250 nan 0.000 0.439 271 K N 0.743 121.186 120.400 0.072 0.000 2.097 271 K HA -0.034 4.289 4.320 0.004 0.000 0.206 271 K C 2.113 178.722 176.600 0.014 0.000 1.049 271 K CA 1.778 58.081 56.287 0.026 0.000 0.933 271 K CB -0.883 31.630 32.500 0.021 0.000 0.717 271 K HN 0.320 nan 8.250 nan 0.000 0.442 272 I N 0.339 120.948 120.570 0.065 0.000 2.546 272 I HA -0.144 4.028 4.170 0.004 0.000 0.255 272 I C 2.678 178.887 176.117 0.154 0.000 1.163 272 I CA 1.031 62.388 61.300 0.095 0.000 1.457 272 I CB 0.064 38.120 38.000 0.094 0.000 1.092 272 I HN 0.533 nan 8.210 nan 0.000 0.434 273 E N 1.075 121.334 120.200 0.098 0.000 2.072 273 E HA -0.246 4.107 4.350 0.004 0.000 0.191 273 E C 1.535 177.962 176.600 -0.289 0.000 0.985 273 E CA 1.396 57.593 56.400 -0.338 0.000 0.801 273 E CB 0.188 29.578 29.700 -0.517 0.000 0.750 273 E HN 0.384 nan 8.360 nan 0.000 0.452 274 D N -0.013 120.295 120.400 -0.154 0.000 2.097 274 D HA -0.133 4.509 4.640 0.004 0.000 0.197 274 D C 2.053 178.268 176.300 -0.142 0.000 0.984 274 D CA 0.982 54.900 54.000 -0.137 0.000 0.826 274 D CB -0.289 40.463 40.800 -0.081 0.000 0.973 274 D HN 0.130 nan 8.370 nan 0.000 0.460 275 I N 0.718 121.215 120.570 -0.122 0.000 2.264 275 I HA -0.202 3.970 4.170 0.004 0.000 0.248 275 I C 2.565 178.556 176.117 -0.210 0.000 1.111 275 I CA 0.953 62.163 61.300 -0.152 0.000 1.382 275 I CB -1.165 36.758 38.000 -0.129 0.000 1.060 275 I HN 0.101 nan 8.210 nan 0.000 0.418 276 S N -0.042 115.551 115.700 -0.177 0.000 2.368 276 S HA -0.220 4.252 4.470 0.004 0.000 0.225 276 S C 2.072 176.504 174.600 -0.281 0.000 1.030 276 S CA 1.625 59.703 58.200 -0.202 0.000 0.999 276 S CB -0.381 62.774 63.200 -0.075 0.000 0.844 276 S HN 0.442 nan 8.310 nan 0.000 0.459 277 M N 0.810 120.239 119.600 -0.285 0.000 2.082 277 M HA -0.051 4.432 4.480 0.004 0.000 0.258 277 M C 1.985 178.199 176.300 -0.143 0.000 1.069 277 M CA 1.314 56.478 55.300 -0.226 0.000 1.102 277 M CB -1.698 30.787 32.600 -0.193 0.000 1.336 277 M HN 0.239 nan 8.290 nan 0.000 0.404 278 L N -0.399 120.734 121.223 -0.150 0.000 2.093 278 L HA -0.087 4.256 4.340 0.004 0.000 0.208 278 L C 2.505 179.301 176.870 -0.124 0.000 1.085 278 L CA 1.659 56.438 54.840 -0.101 0.000 0.755 278 L CB -0.914 41.065 42.059 -0.133 0.000 0.904 278 L HN 0.305 nan 8.230 nan 0.000 0.435 279 M N -1.683 117.717 119.600 -0.333 0.000 2.288 279 M HA -0.030 4.452 4.480 0.004 0.000 0.266 279 M C 2.216 178.262 176.300 -0.423 0.000 1.072 279 M CA 1.400 56.373 55.300 -0.545 0.000 1.132 279 M CB -0.786 31.113 32.600 -1.169 0.000 1.386 279 M HN 0.347 nan 8.290 nan 0.000 0.432 280 G N 0.141 108.754 108.800 -0.312 0.000 2.404 280 G HA2 -0.223 3.740 3.960 0.004 0.000 0.215 280 G HA3 -0.223 3.740 3.960 0.004 0.000 0.215 280 G C 1.354 176.401 174.900 0.245 0.000 1.174 280 G CA 0.793 45.971 45.100 0.129 0.000 0.780 280 G HN 0.507 nan 8.290 nan 0.000 0.537 281 E N -0.507 119.799 120.200 0.177 0.000 2.058 281 E HA -0.232 4.121 4.350 0.004 0.000 0.194 281 E C 2.064 178.905 176.600 0.402 0.000 0.997 281 E CA 1.109 57.673 56.400 0.274 0.000 0.801 281 E CB -0.350 29.511 29.700 0.268 0.000 0.746 281 E HN 0.537 nan 8.360 nan 0.000 0.450 282 Y N 0.028 120.489 120.300 0.269 0.000 2.114 282 Y HA -0.301 4.252 4.550 0.005 0.000 0.282 282 Y C 2.086 178.234 175.900 0.413 0.000 1.165 282 Y CA 2.223 60.523 58.100 0.333 0.000 1.148 282 Y CB -0.482 38.066 38.460 0.145 0.000 0.972 282 Y HN 0.174 nan 8.280 nan 0.000 0.504 283 F N 0.836 120.977 119.950 0.318 0.000 2.134 283 F HA -0.194 4.335 4.527 0.004 0.000 0.299 283 F C 2.439 178.398 175.800 0.265 0.000 1.097 283 F CA 2.029 60.238 58.000 0.348 0.000 1.264 283 F CB -0.472 38.808 39.000 0.467 0.000 1.001 283 F HN 0.156 nan 8.300 nan 0.000 0.479 284 Q N 0.712 120.717 119.800 0.342 0.000 2.172 284 Q HA -0.068 4.274 4.340 0.004 0.000 0.200 284 Q C 2.016 178.093 176.000 0.130 0.000 0.964 284 Q CA 1.783 57.718 55.803 0.221 0.000 0.855 284 Q CB -0.429 28.455 28.738 0.243 0.000 0.918 284 Q HN 0.605 nan 8.270 nan 0.000 0.444 285 I N -0.428 120.218 120.570 0.127 0.000 2.226 285 I HA -0.281 3.892 4.170 0.004 0.000 0.245 285 I C 2.169 178.167 176.117 -0.199 0.000 1.100 285 I CA 1.510 62.775 61.300 -0.059 0.000 1.374 285 I CB -0.361 37.378 38.000 -0.434 0.000 1.057 285 I HN 0.368 nan 8.210 nan 0.000 0.413 286 H N 0.787 119.662 119.070 -0.326 0.000 2.387 286 H HA -0.260 4.299 4.556 0.005 0.000 0.299 286 H C 1.853 176.876 175.328 -0.508 0.000 1.099 286 H CA 2.302 57.964 56.048 -0.644 0.000 1.315 286 H CB -0.114 29.065 29.762 -0.972 0.000 1.380 286 H HN 0.307 nan 8.280 nan 0.000 0.513 287 D N -0.648 119.538 120.400 -0.357 0.000 2.144 287 D HA -0.130 4.513 4.640 0.004 0.000 0.200 287 D C 1.505 177.689 176.300 -0.193 0.000 0.978 287 D CA 1.403 55.234 54.000 -0.280 0.000 0.833 287 D CB -0.169 40.527 40.800 -0.173 0.000 0.961 287 D HN 0.424 nan 8.370 nan 0.000 0.470 288 D N -0.941 119.387 120.400 -0.121 0.000 2.117 288 D HA -0.173 4.470 4.640 0.004 0.000 0.198 288 D C 1.627 177.813 176.300 -0.190 0.000 0.982 288 D CA 0.708 54.665 54.000 -0.072 0.000 0.828 288 D CB -0.586 40.257 40.800 0.073 0.000 0.967 288 D HN 0.352 nan 8.370 nan 0.000 0.464 289 Y N 1.444 121.490 120.300 -0.424 0.000 2.081 289 Y HA -0.227 4.326 4.550 0.005 0.000 0.280 289 Y C 2.140 177.806 175.900 -0.389 0.000 1.163 289 Y CA 1.525 59.352 58.100 -0.456 0.000 1.135 289 Y CB -0.401 37.440 38.460 -1.032 0.000 0.970 289 Y HN -0.075 nan 8.280 nan 0.000 0.498 290 L N -0.021 120.974 121.223 -0.380 0.000 2.042 290 L HA -0.246 4.096 4.340 0.004 0.000 0.210 290 L C 2.234 178.933 176.870 -0.286 0.000 1.076 290 L CA 1.794 56.438 54.840 -0.327 0.000 0.749 290 L CB -0.763 41.120 42.059 -0.294 0.000 0.893 290 L HN 0.285 nan 8.230 nan 0.000 0.432 291 D N -0.095 120.148 120.400 -0.260 0.000 2.126 291 D HA -0.260 4.383 4.640 0.004 0.000 0.190 291 D C 2.139 178.283 176.300 -0.260 0.000 1.001 291 D CA 1.883 55.762 54.000 -0.202 0.000 0.841 291 D CB 0.103 40.814 40.800 -0.147 0.000 0.949 291 D HN 0.104 nan 8.370 nan 0.000 0.446 292 I N -1.415 118.883 120.570 -0.454 0.000 3.081 292 I HA 0.116 4.288 4.170 0.004 0.000 0.274 292 I C 0.935 176.713 176.117 -0.564 0.000 1.178 292 I CA 0.341 61.312 61.300 -0.549 0.000 1.460 292 I CB -0.657 36.942 38.000 -0.668 0.000 1.137 292 I HN 0.132 nan 8.210 nan 0.000 0.443 293 F N 1.198 120.921 119.950 -0.379 0.000 2.695 293 F HA 0.574 5.105 4.527 0.007 0.000 0.303 293 F C 1.411 177.001 175.800 -0.350 0.000 1.091 293 F CA -0.151 57.572 58.000 -0.462 0.000 1.300 293 F CB -0.774 37.665 39.000 -0.935 0.000 1.071 293 F HN 0.198 nan 8.300 nan 0.000 0.578 294 G N -0.432 108.275 108.800 -0.156 0.000 2.434 294 G HA2 0.345 4.308 3.960 0.004 0.000 0.330 294 G HA3 0.345 4.308 3.960 0.004 0.000 0.330 294 G C -1.504 173.369 174.900 -0.045 0.000 1.155 294 G CA -0.441 44.609 45.100 -0.082 0.000 0.917 294 G HN 0.005 nan 8.290 nan 0.000 0.493 295 D N -0.650 119.743 120.400 -0.013 0.000 2.348 295 D HA 0.224 4.866 4.640 0.004 0.000 0.253 295 D C 1.718 178.013 176.300 -0.008 0.000 1.161 295 D CA 0.141 54.139 54.000 -0.005 0.000 0.876 295 D CB 1.193 41.999 40.800 0.010 0.000 1.160 295 D HN 0.186 nan 8.370 nan 0.000 0.459 296 S N 1.672 117.366 115.700 -0.010 0.000 2.447 296 S HA -0.132 4.341 4.470 0.004 0.000 0.233 296 S C 2.017 176.616 174.600 -0.002 0.000 1.006 296 S CA 1.243 59.438 58.200 -0.007 0.000 0.957 296 S CB -0.870 62.325 63.200 -0.008 0.000 0.773 296 S HN 0.693 nan 8.310 nan 0.000 0.507 297 T N 0.556 115.109 114.554 -0.001 0.000 3.067 297 T HA 0.139 4.492 4.350 0.004 0.000 0.261 297 T C 1.901 176.605 174.700 0.007 0.000 1.110 297 T CA 0.889 62.989 62.100 -0.001 0.000 1.113 297 T CB -0.277 68.591 68.868 -0.001 0.000 0.917 297 T HN 0.398 nan 8.240 nan 0.000 0.499 298 K N 0.761 121.169 120.400 0.014 0.000 2.168 298 K HA 0.059 4.381 4.320 0.004 0.000 0.201 298 K C 2.966 179.585 176.600 0.032 0.000 1.049 298 K CA 1.336 57.638 56.287 0.025 0.000 0.974 298 K CB -0.172 32.347 32.500 0.032 0.000 0.792 298 K HN 0.824 nan 8.250 nan 0.000 0.463 299 T N -3.207 111.362 114.554 0.024 0.000 3.054 299 T HA 0.214 4.566 4.350 0.004 0.000 0.259 299 T C 1.663 176.384 174.700 0.035 0.000 1.092 299 T CA 1.034 63.153 62.100 0.032 0.000 1.121 299 T CB 0.284 69.159 68.868 0.010 0.000 0.912 299 T HN 0.555 nan 8.240 nan 0.000 0.489 300 G N 1.942 110.755 108.800 0.021 0.000 2.176 300 G HA2 -0.221 3.742 3.960 0.004 0.000 0.253 300 G HA3 -0.221 3.742 3.960 0.004 0.000 0.253 300 G C -0.089 174.825 174.900 0.024 0.000 0.979 300 G CA 0.303 45.413 45.100 0.018 0.000 0.641 300 G HN 0.991 nan 8.290 nan 0.000 0.530 301 K N -1.711 118.704 120.400 0.025 0.000 2.527 301 K HA 0.875 5.198 4.320 0.004 0.000 0.260 301 K C 0.146 176.756 176.600 0.017 0.000 0.937 301 K CA -0.672 55.635 56.287 0.034 0.000 0.826 301 K CB 1.935 34.467 32.500 0.053 0.000 1.359 301 K HN 1.025 nan 8.250 nan 0.000 0.434 305 D N 2.200 122.582 120.400 -0.030 0.000 2.123 305 D HA -0.061 4.582 4.640 0.004 0.000 0.196 305 D C 1.765 178.029 176.300 -0.060 0.000 0.992 305 D CA 1.411 55.415 54.000 0.006 0.000 0.833 305 D CB -0.252 40.581 40.800 0.056 0.000 0.954 305 D HN 0.705 nan 8.370 nan 0.000 0.455 306 I N 1.367 121.831 120.570 -0.177 0.000 2.142 306 I HA -0.276 3.897 4.170 0.004 0.000 0.240 306 I C 2.535 178.317 176.117 -0.559 0.000 1.078 306 I CA 1.050 62.007 61.300 -0.572 0.000 1.343 306 I CB -0.423 37.336 38.000 -0.402 0.000 1.046 306 I HN 0.040 nan 8.210 nan 0.000 0.405 307 Q N 0.368 120.001 119.800 -0.279 0.000 2.230 307 Q HA -0.117 4.226 4.340 0.004 0.000 0.202 307 Q C 1.043 176.967 176.000 -0.126 0.000 0.963 307 Q CA 1.203 56.892 55.803 -0.191 0.000 0.866 307 Q CB -0.772 27.897 28.738 -0.115 0.000 0.931 307 Q HN 0.500 nan 8.270 nan 0.000 0.452 308 N N 1.537 120.181 118.700 -0.093 0.000 2.383 308 N HA -0.035 4.707 4.740 0.004 0.000 0.192 308 N C -0.296 175.228 175.510 0.023 0.000 1.141 308 N CA 0.321 53.354 53.050 -0.028 0.000 0.851 308 N CB -0.197 38.285 38.487 -0.009 0.000 0.976 308 N HN 0.272 nan 8.380 nan 0.000 0.465 309 N N 0.602 119.309 118.700 0.011 0.000 2.758 309 N HA -0.168 4.575 4.740 0.004 0.000 0.248 309 N C -1.123 174.660 175.510 0.456 0.000 1.076 309 N CA 0.543 53.739 53.050 0.242 0.000 0.696 309 N CB -0.672 37.941 38.487 0.210 0.000 0.979 309 N HN 0.053 nan 8.380 nan 0.000 0.550 310 K N 0.407 121.038 120.400 0.384 0.000 2.185 310 K HA 0.274 4.597 4.320 0.004 0.000 0.271 310 K C 0.144 176.963 176.600 0.365 0.000 1.013 310 K CA -0.776 55.676 56.287 0.275 0.000 0.943 310 K CB 0.865 33.465 32.500 0.166 0.000 0.998 310 K HN 0.253 nan 8.250 nan 0.000 0.468 311 L N 3.164 124.434 121.223 0.078 0.000 2.363 311 L HA 0.106 4.449 4.340 0.004 0.000 0.286 311 L C 0.031 177.051 176.870 0.250 0.000 1.106 311 L CA 0.441 55.325 54.840 0.074 0.000 0.859 311 L CB -0.202 41.718 42.059 -0.232 0.000 1.223 311 L HN 0.706 nan 8.230 nan 0.000 0.446 312 T N 0.022 114.717 114.554 0.235 0.000 2.942 312 T HA 0.206 4.559 4.350 0.004 0.000 0.289 312 T C 0.550 175.247 174.700 -0.004 0.000 1.044 312 T CA -0.605 61.639 62.100 0.240 0.000 1.023 312 T CB 0.757 69.743 68.868 0.197 0.000 1.123 312 T HN 0.675 nan 8.240 nan 0.000 0.512 313 W N 1.635 122.736 121.300 -0.333 0.000 2.355 313 W HA 0.094 4.755 4.660 0.003 0.000 0.309 313 W C -1.449 174.891 176.519 -0.298 0.000 1.206 313 W CA 1.386 58.427 57.345 -0.507 0.000 1.284 313 W CB -1.231 27.934 29.460 -0.491 0.000 1.145 313 W HN 0.630 nan 8.180 nan 0.000 0.502 314 P HA -0.208 nan 4.420 nan 0.000 0.216 314 P C 1.748 178.850 177.300 -0.330 0.000 1.150 314 P CA 1.584 64.471 63.100 -0.356 0.000 0.837 314 P CB -0.345 30.966 31.700 -0.647 0.000 0.786 315 L N -0.690 120.458 121.223 -0.125 0.000 2.027 315 L HA -0.105 4.238 4.340 0.004 0.000 0.206 315 L C 2.173 178.961 176.870 -0.137 0.000 1.074 315 L CA 1.784 56.611 54.840 -0.022 0.000 0.745 315 L CB -1.232 40.773 42.059 -0.089 0.000 0.898 315 L HN -0.148 nan 8.230 nan 0.000 0.433 316 I N -0.489 119.933 120.570 -0.247 0.000 2.226 316 I HA -0.274 3.899 4.170 0.004 0.000 0.245 316 I C 2.461 178.354 176.117 -0.373 0.000 1.100 316 I CA 1.374 62.512 61.300 -0.271 0.000 1.374 316 I CB -0.318 37.504 38.000 -0.297 0.000 1.057 316 I HN 0.235 nan 8.210 nan 0.000 0.413 317 K N 0.702 120.712 120.400 -0.651 0.000 2.097 317 K HA -0.116 4.207 4.320 0.004 0.000 0.205 317 K C 1.992 178.305 176.600 -0.479 0.000 1.050 317 K CA 1.711 57.551 56.287 -0.746 0.000 0.938 317 K CB -0.341 31.435 32.500 -1.206 0.000 0.718 317 K HN 0.186 nan 8.250 nan 0.000 0.442 318 T N 0.084 114.446 114.554 -0.320 0.000 2.746 318 T HA -0.101 4.252 4.350 0.004 0.000 0.267 318 T C 1.453 175.981 174.700 -0.287 0.000 1.039 318 T CA 1.310 63.255 62.100 -0.259 0.000 1.142 318 T CB -0.418 68.464 68.868 0.023 0.000 0.866 318 T HN 0.171 nan 8.240 nan 0.000 0.444 319 F N 2.314 122.087 119.950 -0.295 0.000 2.293 319 F HA -0.045 4.485 4.527 0.005 0.000 0.300 319 F C 2.291 177.953 175.800 -0.230 0.000 1.086 319 F CA 1.064 58.919 58.000 -0.242 0.000 1.375 319 F CB -0.083 38.803 39.000 -0.191 0.000 1.045 319 F HN 0.340 nan 8.300 nan 0.000 0.516 320 E N -1.421 118.705 120.200 -0.124 0.000 2.489 320 E HA -0.025 4.327 4.350 0.004 0.000 0.193 320 E C 1.344 177.820 176.600 -0.208 0.000 1.057 320 E CA 0.443 56.757 56.400 -0.143 0.000 0.866 320 E CB -0.008 29.622 29.700 -0.117 0.000 0.916 320 E HN 0.383 nan 8.360 nan 0.000 0.500 321 L N 0.745 121.786 121.223 -0.304 0.000 2.948 321 L HA 0.247 4.590 4.340 0.004 0.000 0.259 321 L C 0.436 177.079 176.870 -0.379 0.000 1.136 321 L CA 0.019 54.679 54.840 -0.300 0.000 0.959 321 L CB 0.890 42.735 42.059 -0.357 0.000 1.370 321 L HN 0.427 nan 8.230 nan 0.000 0.552 322 C N -0.509 118.455 119.300 -0.559 0.000 2.351 322 C HA 0.773 5.236 4.460 0.004 0.000 0.359 322 C C 1.286 176.115 174.990 -0.269 0.000 1.193 322 C CA -0.666 57.988 59.018 -0.607 0.000 2.270 322 C CB 0.669 27.905 27.740 -0.840 0.000 2.369 322 C HN 0.543 nan 8.230 nan 0.000 0.553 323 S N 1.404 117.059 115.700 -0.076 0.000 2.596 323 S HA 0.155 4.628 4.470 0.004 0.000 0.260 323 S C 0.929 175.450 174.600 -0.132 0.000 1.336 323 S CA 0.180 58.342 58.200 -0.063 0.000 0.993 323 S CB 0.493 63.704 63.200 0.018 0.000 0.923 323 S HN 0.858 nan 8.310 nan 0.000 0.567 324 E N 1.270 121.402 120.200 -0.113 0.000 2.051 324 E HA -0.042 4.311 4.350 0.004 0.000 0.192 324 E C -0.502 176.044 176.600 -0.090 0.000 0.991 324 E CA 1.346 57.672 56.400 -0.122 0.000 0.799 324 E CB -2.142 27.508 29.700 -0.083 0.000 0.748 324 E HN 0.611 nan 8.360 nan 0.000 0.449 325 P HA -0.088 nan 4.420 nan 0.000 0.220 325 P C 0.792 178.077 177.300 -0.025 0.000 1.148 325 P CA 1.171 64.253 63.100 -0.029 0.000 0.803 325 P CB 0.058 31.750 31.700 -0.013 0.000 0.782 326 D N -0.870 119.514 120.400 -0.027 0.000 2.234 326 D HA -0.054 4.589 4.640 0.004 0.000 0.205 326 D C 1.753 178.013 176.300 -0.067 0.000 0.962 326 D CA 0.840 54.836 54.000 -0.007 0.000 0.855 326 D CB -0.139 40.707 40.800 0.076 0.000 0.951 326 D HN 0.207 nan 8.370 nan 0.000 0.500 327 K N 0.282 120.584 120.400 -0.165 0.000 2.057 327 K HA -0.019 4.304 4.320 0.004 0.000 0.206 327 K C 2.207 178.801 176.600 -0.009 0.000 1.050 327 K CA 0.638 56.797 56.287 -0.213 0.000 0.935 327 K CB 0.059 32.290 32.500 -0.450 0.000 0.715 327 K HN 0.140 nan 8.250 nan 0.000 0.439 328 I N 1.141 121.698 120.570 -0.022 0.000 2.226 328 I HA -0.276 3.897 4.170 0.004 0.000 0.245 328 I C 2.490 178.616 176.117 0.016 0.000 1.100 328 I CA 1.136 62.440 61.300 0.007 0.000 1.374 328 I CB -0.193 37.803 38.000 -0.006 0.000 1.057 328 I HN 0.136 nan 8.210 nan 0.000 0.413 329 K N 0.889 121.295 120.400 0.010 0.000 2.063 329 K HA -0.191 4.132 4.320 0.004 0.000 0.208 329 K C 2.275 178.894 176.600 0.032 0.000 1.048 329 K CA 1.618 57.915 56.287 0.016 0.000 0.928 329 K CB -0.000 32.509 32.500 0.015 0.000 0.713 329 K HN 0.116 nan 8.250 nan 0.000 0.442 330 I N 0.174 120.773 120.570 0.049 0.000 2.142 330 I HA -0.201 3.972 4.170 0.004 0.000 0.240 330 I C 2.377 178.537 176.117 0.072 0.000 1.078 330 I CA 0.995 62.341 61.300 0.077 0.000 1.343 330 I CB -0.702 37.364 38.000 0.110 0.000 1.046 330 I HN 0.129 nan 8.210 nan 0.000 0.405 331 V N 0.383 120.331 119.914 0.056 0.000 2.332 331 V HA -0.338 3.784 4.120 0.004 0.000 0.248 331 V C 2.501 178.603 176.094 0.014 0.000 1.055 331 V CA 2.453 64.759 62.300 0.010 0.000 1.038 331 V CB -0.886 30.946 31.823 0.015 0.000 0.651 331 V HN 0.551 nan 8.190 nan 0.000 0.450 332 K N -0.223 120.189 120.400 0.021 0.000 2.097 332 K HA -0.127 4.196 4.320 0.004 0.000 0.205 332 K C 1.764 178.374 176.600 0.016 0.000 1.050 332 K CA 1.507 57.802 56.287 0.013 0.000 0.938 332 K CB -0.035 32.470 32.500 0.008 0.000 0.718 332 K HN 0.501 nan 8.250 nan 0.000 0.442 333 N N -0.966 117.753 118.700 0.033 0.000 2.294 333 N HA -0.051 4.692 4.740 0.004 0.000 0.186 333 N C -0.462 175.066 175.510 0.030 0.000 1.107 333 N CA -0.004 53.058 53.050 0.019 0.000 0.884 333 N CB 0.437 38.928 38.487 0.007 0.000 1.030 333 N HN 0.075 nan 8.380 nan 0.000 0.482 334 Y N 1.094 121.358 120.300 -0.060 0.000 2.335 334 Y HA 0.345 4.900 4.550 0.009 0.000 0.331 334 Y C 1.347 177.212 175.900 -0.057 0.000 1.094 334 Y CA 0.927 58.990 58.100 -0.062 0.000 1.253 334 Y CB 0.773 39.189 38.460 -0.073 0.000 1.203 334 Y HN 0.311 nan 8.280 nan 0.000 0.508 335 G N 3.436 112.079 108.800 -0.262 0.000 2.144 335 G HA2 -0.230 3.732 3.960 0.004 0.000 0.218 335 G HA3 -0.230 3.732 3.960 0.004 0.000 0.218 335 G C -0.249 174.593 174.900 -0.097 0.000 0.988 335 G CA -0.276 44.751 45.100 -0.121 0.000 0.659 335 G HN 0.533 nan 8.290 nan 0.000 0.522 336 K N 0.047 120.376 120.400 -0.119 0.000 2.182 336 K HA 0.468 4.791 4.320 0.004 0.000 0.262 336 K C 0.695 177.245 176.600 -0.083 0.000 0.957 336 K CA -0.983 55.258 56.287 -0.077 0.000 0.842 336 K CB 0.920 33.387 32.500 -0.055 0.000 1.099 336 K HN -0.013 nan 8.250 nan 0.000 0.438 337 N N 1.063 119.729 118.700 -0.056 0.000 2.396 337 N HA -0.120 4.623 4.740 0.004 0.000 0.180 337 N C 0.078 175.562 175.510 -0.043 0.000 1.028 337 N CA 0.560 53.582 53.050 -0.048 0.000 0.893 337 N CB -0.067 38.403 38.487 -0.030 0.000 0.967 337 N HN 0.560 nan 8.380 nan 0.000 0.440 338 N N 0.990 119.666 118.700 -0.040 0.000 2.458 338 N HA -0.063 4.680 4.740 0.004 0.000 0.258 338 N C 0.780 176.265 175.510 -0.042 0.000 1.219 338 N CA -0.134 52.895 53.050 -0.034 0.000 0.902 338 N CB 0.818 39.288 38.487 -0.029 0.000 1.076 338 N HN -0.056 nan 8.380 nan 0.000 0.455 339 L N 4.026 125.228 121.223 -0.035 0.000 2.217 339 L HA -0.062 4.281 4.340 0.004 0.000 0.211 339 L C 2.418 179.265 176.870 -0.038 0.000 1.107 339 L CA 1.090 55.908 54.840 -0.037 0.000 0.783 339 L CB -0.400 41.643 42.059 -0.027 0.000 0.919 339 L HN 0.697 nan 8.230 nan 0.000 0.442 340 A N -1.388 121.413 122.820 -0.032 0.000 1.969 340 A HA -0.193 4.130 4.320 0.004 0.000 0.218 340 A C 2.362 179.924 177.584 -0.037 0.000 1.169 340 A CA 1.721 53.740 52.037 -0.030 0.000 0.635 340 A CB -1.097 17.890 19.000 -0.023 0.000 0.810 340 A HN 0.525 nan 8.150 nan 0.000 0.445 341 C N -1.096 118.178 119.300 -0.043 0.000 2.486 341 C HA -0.007 4.456 4.460 0.004 0.000 0.279 341 C C 2.841 177.786 174.990 -0.075 0.000 1.302 341 C CA 0.890 59.877 59.018 -0.051 0.000 1.720 341 C CB -1.079 26.630 27.740 -0.052 0.000 2.030 341 C HN 0.658 nan 8.230 nan 0.000 0.490 342 V N 0.428 120.288 119.914 -0.089 0.000 2.548 342 V HA -0.121 4.002 4.120 0.004 0.000 0.249 342 V C 2.308 178.340 176.094 -0.103 0.000 1.055 342 V CA 2.287 64.516 62.300 -0.118 0.000 1.065 342 V CB -0.981 30.771 31.823 -0.118 0.000 0.681 342 V HN 0.439 nan 8.190 nan 0.000 0.462 343 K N 0.194 120.552 120.400 -0.071 0.000 2.032 343 K HA -0.075 4.247 4.320 0.004 0.000 0.209 343 K C 2.344 178.906 176.600 -0.062 0.000 1.048 343 K CA 1.640 57.895 56.287 -0.055 0.000 0.927 343 K CB -1.181 31.298 32.500 -0.035 0.000 0.712 343 K HN 0.631 nan 8.250 nan 0.000 0.441 344 V N 1.485 121.364 119.914 -0.058 0.000 2.250 344 V HA -0.298 3.825 4.120 0.004 0.000 0.250 344 V C 2.289 178.331 176.094 -0.087 0.000 1.060 344 V CA 2.047 64.316 62.300 -0.052 0.000 1.030 344 V CB -0.613 31.189 31.823 -0.035 0.000 0.643 344 V HN 0.337 nan 8.190 nan 0.000 0.445 345 I N 0.453 120.941 120.570 -0.136 0.000 2.179 345 I HA -0.238 3.934 4.170 0.004 0.000 0.242 345 I C 2.403 178.229 176.117 -0.484 0.000 1.088 345 I CA 2.290 63.418 61.300 -0.287 0.000 1.357 345 I CB -1.422 36.434 38.000 -0.241 0.000 1.051 345 I HN 0.453 nan 8.210 nan 0.000 0.409 346 D N 0.588 120.818 120.400 -0.283 0.000 2.149 346 D HA -0.163 4.480 4.640 0.004 0.000 0.198 346 D C 2.264 178.562 176.300 -0.003 0.000 0.990 346 D CA 1.501 55.424 54.000 -0.128 0.000 0.839 346 D CB 0.203 40.977 40.800 -0.043 0.000 0.948 346 D HN 0.092 nan 8.370 nan 0.000 0.460 347 S N -0.923 114.762 115.700 -0.025 0.000 2.402 347 S HA -0.022 4.451 4.470 0.004 0.000 0.229 347 S C 1.924 176.550 174.600 0.044 0.000 1.021 347 S CA 0.403 58.614 58.200 0.017 0.000 0.974 347 S CB -0.153 63.044 63.200 -0.006 0.000 0.800 347 S HN 0.294 nan 8.310 nan 0.000 0.484 348 L N -0.102 121.133 121.223 0.021 0.000 2.156 348 L HA -0.077 4.266 4.340 0.004 0.000 0.208 348 L C 2.061 179.136 176.870 0.341 0.000 1.095 348 L CA 0.967 55.892 54.840 0.142 0.000 0.770 348 L CB -0.487 41.637 42.059 0.109 0.000 0.914 348 L HN 0.303 nan 8.230 nan 0.000 0.439 349 Y N -0.314 120.124 120.300 0.231 0.000 2.293 349 Y HA -0.235 4.317 4.550 0.004 0.000 0.291 349 Y C 2.871 178.930 175.900 0.265 0.000 1.137 349 Y CA 1.114 59.392 58.100 0.298 0.000 1.202 349 Y CB -1.055 37.624 38.460 0.365 0.000 0.990 349 Y HN 0.168 nan 8.280 nan 0.000 0.537 350 E N 0.110 120.510 120.200 0.332 0.000 2.072 350 E HA -0.201 4.151 4.350 0.004 0.000 0.190 350 E C 2.214 178.869 176.600 0.092 0.000 0.982 350 E CA 1.205 57.712 56.400 0.178 0.000 0.803 350 E CB -0.339 29.435 29.700 0.123 0.000 0.755 350 E HN 0.692 nan 8.360 nan 0.000 0.453 351 Q N -1.543 118.278 119.800 0.035 0.000 2.096 351 Q HA -0.173 4.170 4.340 0.004 0.000 0.204 351 Q C 1.353 177.210 176.000 -0.239 0.000 0.982 351 Q CA 2.015 57.724 55.803 -0.157 0.000 0.850 351 Q CB -0.195 28.364 28.738 -0.298 0.000 0.901 351 Q HN 0.639 nan 8.270 nan 0.000 0.422 352 Y N -0.245 120.124 120.300 0.115 0.000 2.493 352 Y HA 0.206 4.759 4.550 0.004 0.000 0.275 352 Y C 0.692 176.710 175.900 0.197 0.000 1.183 352 Y CA 0.576 58.750 58.100 0.123 0.000 1.258 352 Y CB 0.242 38.750 38.460 0.080 0.000 1.108 352 Y HN 0.070 nan 8.280 nan 0.000 0.521 353 K N 0.826 121.376 120.400 0.249 0.000 3.490 353 K HA -0.220 4.102 4.320 0.004 0.000 0.273 353 K C 0.652 177.431 176.600 0.298 0.000 0.916 353 K CA 1.149 57.549 56.287 0.189 0.000 0.718 353 K CB -2.742 29.823 32.500 0.109 0.000 1.477 353 K HN 0.444 nan 8.250 nan 0.000 0.452 354 I N 0.295 121.031 120.570 0.277 0.000 2.454 354 I HA -0.191 3.981 4.170 0.004 0.000 0.254 354 I C 2.589 178.844 176.117 0.230 0.000 1.156 354 I CA 1.452 62.936 61.300 0.307 0.000 1.433 354 I CB -0.589 37.580 38.000 0.282 0.000 1.082 354 I HN 0.657 nan 8.210 nan 0.000 0.432 355 R N 1.187 121.612 120.500 -0.124 0.000 2.081 355 R HA -0.189 4.154 4.340 0.004 0.000 0.235 355 R C 2.528 178.912 176.300 0.141 0.000 1.131 355 R CA 2.145 58.199 56.100 -0.077 0.000 0.960 355 R CB -0.462 29.657 30.300 -0.301 0.000 0.856 355 R HN 0.406 nan 8.270 nan 0.000 0.436 356 K N 0.578 121.014 120.400 0.060 0.000 2.155 356 K HA -0.146 4.176 4.320 0.004 0.000 0.203 356 K C 1.691 178.294 176.600 0.005 0.000 1.052 356 K CA 1.767 58.049 56.287 -0.009 0.000 0.948 356 K CB -0.914 31.525 32.500 -0.101 0.000 0.728 356 K HN 0.444 nan 8.250 nan 0.000 0.448 357 H N -1.861 117.321 119.070 0.187 0.000 2.389 357 H HA -0.003 4.556 4.556 0.005 0.000 0.299 357 H C 2.039 177.639 175.328 0.453 0.000 1.081 357 H CA 1.944 58.161 56.048 0.282 0.000 1.345 357 H CB -0.142 29.766 29.762 0.244 0.000 1.393 357 H HN 0.631 nan 8.280 nan 0.000 0.520 358 Y N 1.593 122.154 120.300 0.436 0.000 2.163 358 Y HA -0.198 4.356 4.550 0.006 0.000 0.288 358 Y C 2.486 178.377 175.900 -0.015 0.000 1.136 358 Y CA 1.725 59.889 58.100 0.107 0.000 1.147 358 Y CB -0.174 38.313 38.460 0.045 0.000 0.987 358 Y HN 0.209 nan 8.280 nan 0.000 0.509 359 E N -0.627 119.469 120.200 -0.174 0.000 2.097 359 E HA -0.288 4.065 4.350 0.004 0.000 0.196 359 E C 2.369 178.836 176.600 -0.222 0.000 1.000 359 E CA 1.659 57.902 56.400 -0.261 0.000 0.804 359 E CB -0.390 29.258 29.700 -0.085 0.000 0.740 359 E HN 0.481 nan 8.360 nan 0.000 0.454 360 S N -0.851 114.795 115.700 -0.090 0.000 2.368 360 S HA -0.192 4.280 4.470 0.004 0.000 0.224 360 S C 1.862 176.432 174.600 -0.050 0.000 1.029 360 S CA 1.220 59.394 58.200 -0.044 0.000 0.988 360 S CB -0.514 62.701 63.200 0.025 0.000 0.838 360 S HN 0.549 nan 8.310 nan 0.000 0.462 361 Y N 2.232 122.446 120.300 -0.142 0.000 2.145 361 Y HA -0.088 4.465 4.550 0.005 0.000 0.286 361 Y C 2.514 178.261 175.900 -0.254 0.000 1.145 361 Y CA 2.322 60.312 58.100 -0.183 0.000 1.148 361 Y CB -0.556 37.704 38.460 -0.332 0.000 0.981 361 Y HN 0.257 nan 8.280 nan 0.000 0.507 362 E N 1.088 121.002 120.200 -0.476 0.000 2.070 362 E HA -0.287 4.066 4.350 0.004 0.000 0.197 362 E C 2.372 178.847 176.600 -0.208 0.000 1.004 362 E CA 2.346 58.509 56.400 -0.396 0.000 0.805 362 E CB -0.207 29.135 29.700 -0.597 0.000 0.744 362 E HN 0.571 nan 8.360 nan 0.000 0.451 363 K N 0.689 120.961 120.400 -0.214 0.000 2.026 363 K HA 0.021 4.343 4.320 0.004 0.000 0.208 363 K C 2.320 178.811 176.600 -0.182 0.000 1.048 363 K CA 1.812 58.006 56.287 -0.154 0.000 0.929 363 K CB -1.200 31.227 32.500 -0.121 0.000 0.713 363 K HN 0.318 nan 8.250 nan 0.000 0.439 364 A N 0.533 123.223 122.820 -0.216 0.000 1.883 364 A HA -0.231 4.092 4.320 0.004 0.000 0.217 364 A C 2.421 179.845 177.584 -0.267 0.000 1.186 364 A CA 2.333 54.247 52.037 -0.206 0.000 0.624 364 A CB -0.474 18.426 19.000 -0.167 0.000 0.822 364 A HN 0.650 nan 8.150 nan 0.000 0.444 365 Q N -0.192 119.346 119.800 -0.437 0.000 2.083 365 Q HA -0.086 4.257 4.340 0.004 0.000 0.198 365 Q C 2.031 177.819 176.000 -0.353 0.000 0.969 365 Q CA 2.070 57.630 55.803 -0.406 0.000 0.838 365 Q CB -0.262 28.115 28.738 -0.603 0.000 0.900 365 Q HN 0.644 nan 8.270 nan 0.000 0.436 366 K N -0.626 119.562 120.400 -0.354 0.000 2.063 366 K HA -0.167 4.155 4.320 0.004 0.000 0.208 366 K C 1.863 178.282 176.600 -0.301 0.000 1.048 366 K CA 1.366 57.395 56.287 -0.430 0.000 0.928 366 K CB -0.320 32.019 32.500 -0.269 0.000 0.713 366 K HN 0.278 nan 8.250 nan 0.000 0.442 367 A N 0.947 123.636 122.820 -0.218 0.000 1.877 367 A HA -0.178 4.145 4.320 0.004 0.000 0.216 367 A C 2.297 179.785 177.584 -0.160 0.000 1.186 367 A CA 2.495 54.433 52.037 -0.165 0.000 0.620 367 A CB -0.998 17.926 19.000 -0.127 0.000 0.822 367 A HN 0.454 nan 8.150 nan 0.000 0.443 368 K N -0.698 119.602 120.400 -0.166 0.000 2.103 368 K HA 0.000 4.323 4.320 0.004 0.000 0.207 368 K C 2.218 178.726 176.600 -0.155 0.000 1.048 368 K CA 2.481 58.687 56.287 -0.136 0.000 0.930 368 K CB -1.934 30.496 32.500 -0.116 0.000 0.716 368 K HN 1.156 nan 8.250 nan 0.000 0.444 369 I N 0.373 120.812 120.570 -0.219 0.000 2.233 369 I HA 0.183 4.356 4.170 0.004 0.000 0.243 369 I C 2.703 178.695 176.117 -0.208 0.000 1.093 369 I CA 1.452 62.608 61.300 -0.240 0.000 1.380 369 I CB -0.899 36.885 38.000 -0.360 0.000 1.067 369 I HN 0.391 nan 8.210 nan 0.000 0.413 370 L N 0.276 121.373 121.223 -0.208 0.000 2.079 370 L HA -0.230 4.112 4.340 0.004 0.000 0.210 370 L C 2.916 179.705 176.870 -0.134 0.000 1.081 370 L CA 1.889 56.628 54.840 -0.168 0.000 0.752 370 L CB -0.515 41.450 42.059 -0.157 0.000 0.896 370 L HN 0.590 nan 8.230 nan 0.000 0.433 371 S N -0.492 115.133 115.700 -0.124 0.000 2.399 371 S HA -0.135 4.337 4.470 0.004 0.000 0.231 371 S C 2.016 176.556 174.600 -0.101 0.000 1.022 371 S CA 1.196 59.336 58.200 -0.099 0.000 0.983 371 S CB 0.014 63.163 63.200 -0.084 0.000 0.803 371 S HN 0.453 nan 8.310 nan 0.000 0.480 372 A N 0.771 123.524 122.820 -0.112 0.000 1.975 372 A HA 0.240 4.563 4.320 0.004 0.000 0.215 372 A C 2.027 179.537 177.584 -0.123 0.000 1.170 372 A CA 0.670 52.642 52.037 -0.107 0.000 0.656 372 A CB -0.507 18.432 19.000 -0.103 0.000 0.821 372 A HN 0.585 nan 8.150 nan 0.000 0.449 373 I N 0.303 120.793 120.570 -0.133 0.000 2.226 373 I HA -0.233 3.940 4.170 0.004 0.000 0.245 373 I C 1.739 177.776 176.117 -0.133 0.000 1.100 373 I CA 0.993 62.216 61.300 -0.129 0.000 1.374 373 I CB -0.317 37.603 38.000 -0.134 0.000 1.057 373 I HN 0.259 nan 8.210 nan 0.000 0.413 374 N N 1.086 119.707 118.700 -0.132 0.000 2.520 374 N HA -0.138 4.605 4.740 0.004 0.000 0.185 374 N C 1.467 176.840 175.510 -0.229 0.000 1.068 374 N CA 1.394 54.361 53.050 -0.138 0.000 0.911 374 N CB -0.155 38.271 38.487 -0.102 0.000 0.961 374 N HN 0.524 nan 8.380 nan 0.000 0.446 375 E N 0.230 120.277 120.200 -0.254 0.000 2.419 375 E HA 0.188 4.540 4.350 0.004 0.000 0.190 375 E C 1.856 178.143 176.600 -0.522 0.000 1.040 375 E CA -0.163 56.000 56.400 -0.395 0.000 0.900 375 E CB -0.553 29.047 29.700 -0.167 0.000 1.054 375 E HN 0.254 nan 8.360 nan 0.000 0.462 376 L N -0.481 120.514 121.223 -0.380 0.000 2.131 376 L HA 0.010 4.352 4.340 0.004 0.000 0.206 376 L C 0.490 177.296 176.870 -0.108 0.000 1.087 376 L CA 0.798 55.526 54.840 -0.186 0.000 0.767 376 L CB -0.244 41.766 42.059 -0.082 0.000 0.917 376 L HN 0.590 nan 8.230 nan 0.000 0.441 377 H N -1.285 117.807 119.070 0.037 0.000 2.886 377 H HA -0.190 4.369 4.556 0.005 0.000 0.294 377 H C -0.237 175.133 175.328 0.071 0.000 1.246 377 H CA 0.668 56.737 56.048 0.035 0.000 1.142 377 H CB -2.519 27.255 29.762 0.019 0.000 1.358 377 H HN 0.439 nan 8.280 nan 0.000 0.406 378 H N 0.221 119.307 119.070 0.027 0.000 3.172 378 H HA 0.171 4.730 4.556 0.005 0.000 0.322 378 H C 0.745 176.079 175.328 0.009 0.000 1.003 378 H CA 0.515 56.574 56.048 0.017 0.000 1.466 378 H CB 1.342 31.103 29.762 -0.002 0.000 1.673 378 H HN 0.247 nan 8.280 nan 0.000 0.512 379 E N 2.652 122.871 120.200 0.032 0.000 2.058 379 E HA -0.104 4.249 4.350 0.004 0.000 0.194 379 E C 1.909 178.616 176.600 0.178 0.000 0.997 379 E CA 1.640 58.082 56.400 0.071 0.000 0.801 379 E CB -0.527 29.169 29.700 -0.006 0.000 0.746 379 E HN 0.897 nan 8.360 nan 0.000 0.450 380 G N 0.305 109.264 108.800 0.265 0.000 2.421 380 G HA2 -0.181 3.782 3.960 0.004 0.000 0.216 380 G HA3 -0.181 3.782 3.960 0.004 0.000 0.216 380 G C 1.714 176.789 174.900 0.293 0.000 1.171 380 G CA 1.051 46.350 45.100 0.331 0.000 0.775 380 G HN 0.528 nan 8.290 nan 0.000 0.543 381 I N 0.343 121.065 120.570 0.254 0.000 2.439 381 I HA -0.066 4.107 4.170 0.004 0.000 0.251 381 I C 2.669 178.803 176.117 0.028 0.000 1.139 381 I CA 0.818 62.131 61.300 0.023 0.000 1.438 381 I CB -0.213 37.644 38.000 -0.238 0.000 1.085 381 I HN 0.222 nan 8.210 nan 0.000 0.427 382 E N 0.318 120.562 120.200 0.073 0.000 2.058 382 E HA -0.294 4.058 4.350 0.004 0.000 0.194 382 E C 2.098 178.702 176.600 0.007 0.000 0.997 382 E CA 1.703 58.115 56.400 0.021 0.000 0.801 382 E CB -0.267 29.453 29.700 0.033 0.000 0.746 382 E HN 0.509 nan 8.360 nan 0.000 0.450 383 Y N 1.093 121.351 120.300 -0.071 0.000 2.165 383 Y HA -0.271 4.282 4.550 0.005 0.000 0.286 383 Y C 2.049 177.862 175.900 -0.145 0.000 1.155 383 Y CA 1.316 59.335 58.100 -0.136 0.000 1.164 383 Y CB -0.263 38.056 38.460 -0.235 0.000 0.978 383 Y HN -0.167 nan 8.280 nan 0.000 0.513 384 V N 0.678 120.498 119.914 -0.157 0.000 2.270 384 V HA -0.326 3.797 4.120 0.004 0.000 0.245 384 V C 2.484 178.497 176.094 -0.135 0.000 1.043 384 V CA 2.111 64.314 62.300 -0.163 0.000 1.014 384 V CB -0.838 30.984 31.823 -0.003 0.000 0.645 384 V HN 0.464 nan 8.190 nan 0.000 0.447 385 L N -0.549 120.610 121.223 -0.108 0.000 2.131 385 L HA -0.204 4.139 4.340 0.004 0.000 0.210 385 L C 2.553 179.324 176.870 -0.165 0.000 1.092 385 L CA 1.661 56.431 54.840 -0.117 0.000 0.759 385 L CB -0.701 41.292 42.059 -0.110 0.000 0.903 385 L HN 0.337 nan 8.230 nan 0.000 0.435 386 K N -0.743 119.547 120.400 -0.184 0.000 2.025 386 K HA -0.203 4.120 4.320 0.004 0.000 0.207 386 K C 2.153 178.623 176.600 -0.216 0.000 1.049 386 K CA 1.392 57.561 56.287 -0.197 0.000 0.933 386 K CB -0.296 32.102 32.500 -0.171 0.000 0.714 386 K HN 0.115 nan 8.250 nan 0.000 0.438 387 Y N 1.704 121.745 120.300 -0.431 0.000 2.181 387 Y HA -0.229 4.324 4.550 0.005 0.000 0.288 387 Y C 2.026 177.771 175.900 -0.259 0.000 1.146 387 Y CA 1.161 59.018 58.100 -0.404 0.000 1.164 387 Y CB -0.317 37.779 38.460 -0.607 0.000 0.982 387 Y HN -0.034 nan 8.280 nan 0.000 0.515 388 L N -0.212 120.852 121.223 -0.266 0.000 2.046 388 L HA -0.170 4.173 4.340 0.004 0.000 0.208 388 L C 2.229 178.935 176.870 -0.273 0.000 1.077 388 L CA 1.736 56.419 54.840 -0.262 0.000 0.747 388 L CB -1.038 40.963 42.059 -0.097 0.000 0.896 388 L HN 0.384 nan 8.230 nan 0.000 0.432 389 L N -0.528 120.542 121.223 -0.255 0.000 2.131 389 L HA -0.150 4.193 4.340 0.004 0.000 0.210 389 L C 2.370 179.056 176.870 -0.307 0.000 1.092 389 L CA 1.624 56.296 54.840 -0.281 0.000 0.759 389 L CB -0.718 41.158 42.059 -0.305 0.000 0.903 389 L HN 0.325 nan 8.230 nan 0.000 0.435 390 E N -1.092 118.922 120.200 -0.311 0.000 2.152 390 E HA -0.079 4.274 4.350 0.004 0.000 0.192 390 E C 2.096 178.505 176.600 -0.319 0.000 0.983 390 E CA 1.099 57.331 56.400 -0.280 0.000 0.818 390 E CB -0.037 29.517 29.700 -0.243 0.000 0.758 390 E HN 0.414 nan 8.360 nan 0.000 0.467 391 I N 0.615 120.936 120.570 -0.414 0.000 4.018 391 I HA 0.118 4.291 4.170 0.004 0.000 0.337 391 I C 1.942 177.893 176.117 -0.278 0.000 1.327 391 I CA -0.039 61.034 61.300 -0.377 0.000 1.100 391 I CB -0.499 37.143 38.000 -0.598 0.000 1.025 391 I HN 0.135 nan 8.210 nan 0.000 0.396 392 L N -0.272 120.742 121.223 -0.348 0.000 2.021 392 L HA -0.235 4.108 4.340 0.004 0.000 0.215 392 L C 2.206 179.026 176.870 -0.083 0.000 1.074 392 L CA 2.289 56.970 54.840 -0.265 0.000 0.760 392 L CB -0.537 41.259 42.059 -0.437 0.000 0.889 392 L HN 0.376 nan 8.230 nan 0.000 0.433 393 F N -1.740 118.186 119.950 -0.040 0.000 2.664 393 F HA -0.056 4.474 4.527 0.005 0.000 0.296 393 F C 2.388 178.194 175.800 0.010 0.000 1.125 393 F CA 0.600 58.543 58.000 -0.094 0.000 1.444 393 F CB -0.177 38.623 39.000 -0.334 0.000 1.114 393 F HN 0.177 nan 8.300 nan 0.000 0.576 394 T N -2.799 111.833 114.554 0.130 0.000 3.042 394 T HA 0.550 4.903 4.350 0.004 0.000 0.245 394 T C 1.126 175.864 174.700 0.064 0.000 1.029 394 T CA 0.377 62.533 62.100 0.094 0.000 1.120 394 T CB 0.234 69.136 68.868 0.056 0.000 0.917 394 T HN 0.347 nan 8.240 nan 0.000 0.467 395 G N 0.892 109.704 108.800 0.020 0.000 2.661 395 G HA2 0.264 4.226 3.960 0.004 0.000 0.685 395 G HA3 0.264 4.226 3.960 0.004 0.000 0.685 395 G C -0.433 174.459 174.900 -0.013 0.000 1.298 395 G CA -0.588 44.516 45.100 0.007 0.000 0.855 395 G HN 1.324 nan 8.290 nan 0.000 0.560 396 V N 0.000 119.918 119.914 0.007 0.000 2.409 396 V HA 0.000 4.123 4.120 0.004 0.000 0.244 396 V CA 0.000 62.331 62.300 0.052 0.000 1.235 396 V CB 0.000 31.866 31.823 0.071 0.000 1.184 396 V HN 0.000 nan 8.190 nan 0.000 0.556