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 2c1c_1_B DATA FIRST_RESID 7 DATA SEQUENCE LPYDNYQELE VIDEYLDYIG EKYPDVATVV NAAESFEGRP IKYIKISTTE DATA SEQUENCE DNKPVIFIDG GIHAREWISP PSVTWAIHKL EDVXXXXXTE NDLLEKFDWI DATA SEQUENCE LLPVVNPDGY KYTFTNERFW RKTRSTNLSQ IcRGADGNRN FDFVWNSIGT DATA SEQUENCE SNSPcSDIYA GTSAFSEVET RVVRDILHEH LRMALYLTMH SFGSMILYPW DATA SEQUENCE GHDGSLSQNA LGLHTVGVAM ASVIQSNALP PYTVGNSALV GYYIAGSSED DATA SEQUENCE YAHSIGVPLS YTYELPGLSS DGFHLPPQYI EQVCRETWEG IVVGARRAGD DATA SEQUENCE LFR 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 nan 176.870 nan 0.000 1.165 7 L CA 0.000 nan 54.840 nan 0.000 0.813 7 L CB 0.000 41.549 42.059 -0.850 0.000 0.961 8 P HA 0.377 nan 4.420 nan 0.000 0.000 8 P C -1.909 175.266 177.300 -0.209 0.000 0.000 8 P CA -0.081 62.947 63.100 -0.120 0.000 0.000 8 P CB 0.543 32.193 31.700 -0.084 0.000 0.000 9 Y N 0.687 120.943 120.300 -0.073 0.000 2.871 9 Y HA 0.120 4.708 4.550 0.062 0.000 0.378 9 Y C 1.205 177.018 175.900 -0.145 0.000 1.069 9 Y CA 0.402 58.441 58.100 -0.102 0.000 1.662 9 Y CB -0.598 37.794 38.460 -0.114 0.000 1.561 9 Y HN 0.202 nan 8.280 nan 0.000 0.483 10 D N -0.887 119.483 120.400 -0.050 0.000 2.324 10 D HA 0.024 4.698 4.640 0.056 0.000 0.212 10 D C 0.267 176.484 176.300 -0.137 0.000 0.984 10 D CA 0.714 54.663 54.000 -0.085 0.000 0.885 10 D CB 0.374 41.140 40.800 -0.058 0.000 0.996 10 D HN 0.241 nan 8.370 nan 0.000 0.505 11 N N -0.200 118.419 118.700 -0.134 0.000 2.265 11 N HA 0.182 4.956 4.740 0.056 0.000 0.300 11 N C -1.028 174.422 175.510 -0.100 0.000 1.148 11 N CA -0.506 52.479 53.050 -0.109 0.000 0.772 11 N CB 1.556 40.042 38.487 -0.001 0.000 1.434 11 N HN -0.064 nan 8.380 nan 0.000 0.481 12 Y N 1.043 121.439 120.300 0.160 0.000 2.496 12 Y HA 0.039 4.622 4.550 0.056 0.000 0.334 12 Y C 0.983 176.955 175.900 0.119 0.000 1.080 12 Y CA -0.246 57.966 58.100 0.186 0.000 1.355 12 Y CB 0.574 39.262 38.460 0.380 0.000 1.193 12 Y HN 0.120 nan 8.280 nan 0.000 0.523 13 Q N 2.970 122.879 119.800 0.181 0.000 2.260 13 Q HA 0.182 4.555 4.340 0.056 0.000 0.242 13 Q C -0.059 175.882 176.000 -0.098 0.000 0.932 13 Q CA -0.426 55.397 55.803 0.032 0.000 0.891 13 Q CB 1.056 29.754 28.738 -0.067 0.000 1.222 13 Q HN 0.672 nan 8.270 nan 0.000 0.453 14 E N 0.931 120.948 120.200 -0.304 0.000 2.392 14 E HA -0.043 4.340 4.350 0.056 0.000 0.259 14 E C 1.074 177.498 176.600 -0.294 0.000 1.108 14 E CA -0.321 55.648 56.400 -0.718 0.000 0.916 14 E CB 0.832 30.201 29.700 -0.552 0.000 0.989 14 E HN 0.345 nan 8.360 nan 0.000 0.432 15 L N 2.653 123.734 121.223 -0.238 0.000 2.034 15 L HA -0.295 4.079 4.340 0.056 0.000 0.217 15 L C 1.783 178.639 176.870 -0.024 0.000 1.077 15 L CA 2.072 56.921 54.840 0.015 0.000 0.769 15 L CB -0.452 41.642 42.059 0.058 0.000 0.890 15 L HN 0.523 nan 8.230 nan 0.000 0.435 16 E N -0.868 119.294 120.200 -0.063 0.000 2.097 16 E HA -0.197 4.187 4.350 0.056 0.000 0.196 16 E C 2.184 178.775 176.600 -0.015 0.000 1.000 16 E CA 1.662 58.042 56.400 -0.033 0.000 0.804 16 E CB -0.635 29.037 29.700 -0.047 0.000 0.740 16 E HN 0.434 nan 8.360 nan 0.000 0.454 17 V N 0.879 120.770 119.914 -0.039 0.000 2.261 17 V HA -0.263 3.891 4.120 0.056 0.000 0.246 17 V C 2.239 178.352 176.094 0.031 0.000 1.047 17 V CA 1.786 64.073 62.300 -0.023 0.000 1.015 17 V CB -0.533 31.250 31.823 -0.067 0.000 0.642 17 V HN 0.248 nan 8.190 nan 0.000 0.446 18 I N 0.216 120.797 120.570 0.017 0.000 2.194 18 I HA -0.287 3.917 4.170 0.056 0.000 0.246 18 I C 2.345 178.542 176.117 0.134 0.000 1.093 18 I CA 1.767 63.109 61.300 0.070 0.000 1.355 18 I CB -0.499 37.503 38.000 0.004 0.000 1.046 18 I HN 0.352 nan 8.210 nan 0.000 0.413 19 D N 0.495 120.942 120.400 0.078 0.000 2.097 19 D HA -0.155 4.519 4.640 0.056 0.000 0.197 19 D C 2.164 178.514 176.300 0.084 0.000 0.984 19 D CA 1.069 55.112 54.000 0.073 0.000 0.826 19 D CB -0.228 40.599 40.800 0.044 0.000 0.973 19 D HN 0.245 nan 8.370 nan 0.000 0.460 20 E N -0.125 120.124 120.200 0.082 0.000 2.204 20 E HA -0.170 4.213 4.350 0.056 0.000 0.195 20 E C 1.950 178.645 176.600 0.159 0.000 0.990 20 E CA 0.332 56.786 56.400 0.090 0.000 0.821 20 E CB -0.344 29.391 29.700 0.058 0.000 0.750 20 E HN 0.448 nan 8.360 nan 0.000 0.477 21 Y N 1.465 121.804 120.300 0.066 0.000 2.109 21 Y HA -0.166 4.414 4.550 0.050 0.000 0.285 21 Y C 2.178 178.184 175.900 0.176 0.000 1.131 21 Y CA 1.363 59.538 58.100 0.125 0.000 1.121 21 Y CB -0.588 37.916 38.460 0.073 0.000 0.987 21 Y HN -0.079 nan 8.280 nan 0.000 0.495 22 L N 0.023 121.213 121.223 -0.054 0.000 2.043 22 L HA -0.289 4.084 4.340 0.056 0.000 0.212 22 L C 2.137 178.949 176.870 -0.097 0.000 1.075 22 L CA 1.792 56.554 54.840 -0.130 0.000 0.752 22 L CB -0.770 41.295 42.059 0.011 0.000 0.891 22 L HN 0.237 nan 8.230 nan 0.000 0.432 23 D N -0.937 119.454 120.400 -0.015 0.000 2.144 23 D HA -0.234 4.439 4.640 0.056 0.000 0.199 23 D C 1.894 178.192 176.300 -0.004 0.000 0.984 23 D CA 1.237 55.234 54.000 -0.005 0.000 0.834 23 D CB -0.296 40.519 40.800 0.026 0.000 0.955 23 D HN 0.345 nan 8.370 nan 0.000 0.465 24 Y N 1.579 121.827 120.300 -0.087 0.000 2.145 24 Y HA -0.196 4.387 4.550 0.054 0.000 0.286 24 Y C 2.056 177.906 175.900 -0.085 0.000 1.145 24 Y CA 1.190 59.247 58.100 -0.072 0.000 1.148 24 Y CB -0.266 38.179 38.460 -0.025 0.000 0.981 24 Y HN -0.149 nan 8.280 nan 0.000 0.507 25 I N 0.384 120.752 120.570 -0.336 0.000 2.142 25 I HA -0.219 3.985 4.170 0.056 0.000 0.240 25 I C 2.732 178.774 176.117 -0.125 0.000 1.078 25 I CA 1.673 62.821 61.300 -0.254 0.000 1.343 25 I CB -2.019 35.800 38.000 -0.301 0.000 1.046 25 I HN 0.408 nan 8.210 nan 0.000 0.405 26 G N 0.479 109.207 108.800 -0.121 0.000 2.475 26 G HA2 -0.241 3.753 3.960 0.056 0.000 0.220 26 G HA3 -0.241 3.753 3.960 0.056 0.000 0.220 26 G C 1.580 176.424 174.900 -0.094 0.000 1.125 26 G CA 0.683 45.739 45.100 -0.074 0.000 0.755 26 G HN 0.492 nan 8.290 nan 0.000 0.565 27 E N -0.421 119.694 120.200 -0.142 0.000 2.086 27 E HA -0.016 4.368 4.350 0.056 0.000 0.190 27 E C 2.544 178.997 176.600 -0.246 0.000 0.975 27 E CA 0.798 57.107 56.400 -0.151 0.000 0.813 27 E CB 0.006 29.638 29.700 -0.114 0.000 0.768 27 E HN 0.312 nan 8.360 nan 0.000 0.457 28 K N 0.324 120.465 120.400 -0.431 0.000 2.103 28 K HA -0.057 4.296 4.320 0.056 0.000 0.204 28 K C 0.218 176.353 176.600 -0.776 0.000 1.052 28 K CA 0.881 56.756 56.287 -0.687 0.000 0.945 28 K CB -0.147 31.687 32.500 -1.110 0.000 0.722 28 K HN 0.253 nan 8.250 nan 0.000 0.443 29 Y N 0.649 120.820 120.300 -0.215 0.000 2.635 29 Y HA 0.350 4.932 4.550 0.054 0.000 0.373 29 Y C -1.954 173.879 175.900 -0.111 0.000 1.000 29 Y CA -2.364 55.648 58.100 -0.147 0.000 1.219 29 Y CB 1.327 39.696 38.460 -0.151 0.000 1.294 29 Y HN 0.206 nan 8.280 nan 0.000 0.612 30 P HA -0.057 nan 4.420 nan 0.000 0.247 30 P C 0.186 177.489 177.300 0.005 0.000 1.225 30 P CA 1.042 64.131 63.100 -0.018 0.000 0.768 30 P CB 0.585 32.256 31.700 -0.048 0.000 1.020 31 D N -0.646 119.770 120.400 0.026 0.000 2.417 31 D HA 0.021 4.694 4.640 0.056 0.000 0.207 31 D C 1.656 177.978 176.300 0.036 0.000 1.075 31 D CA 0.566 54.582 54.000 0.026 0.000 0.851 31 D CB 0.962 41.776 40.800 0.023 0.000 0.976 31 D HN 0.154 nan 8.370 nan 0.000 0.505 32 V N -2.959 116.982 119.914 0.046 0.000 3.431 32 V HA 0.590 4.743 4.120 0.056 0.000 0.255 32 V C 0.594 176.707 176.094 0.033 0.000 1.403 32 V CA 0.049 62.369 62.300 0.034 0.000 1.101 32 V CB 0.518 32.343 31.823 0.004 0.000 0.891 32 V HN -0.014 nan 8.190 nan 0.000 0.446 33 A N 0.397 123.237 122.820 0.033 0.000 2.337 33 A HA 0.835 5.189 4.320 0.056 0.000 0.329 33 A C -0.202 177.396 177.584 0.023 0.000 1.146 33 A CA -0.243 51.809 52.037 0.025 0.000 0.800 33 A CB 1.461 20.459 19.000 -0.003 0.000 1.220 33 A HN 0.346 nan 8.150 nan 0.000 0.472 34 T N 1.794 116.368 114.554 0.033 0.000 2.949 34 T HA 0.429 4.812 4.350 0.056 0.000 0.300 34 T C -0.603 174.098 174.700 0.001 0.000 0.988 34 T CA -0.289 61.821 62.100 0.017 0.000 0.993 34 T CB 1.051 69.938 68.868 0.032 0.000 0.984 34 T HN 0.476 nan 8.240 nan 0.000 0.442 35 V N 4.157 124.050 119.914 -0.034 0.000 2.530 35 V HA 0.529 4.683 4.120 0.056 0.000 0.282 35 V C 0.334 176.345 176.094 -0.139 0.000 1.048 35 V CA -0.556 61.704 62.300 -0.067 0.000 0.997 35 V CB 1.254 33.044 31.823 -0.055 0.000 0.987 35 V HN 0.707 nan 8.190 nan 0.000 0.477 36 V N 4.515 124.254 119.914 -0.293 0.000 2.483 36 V HA 0.542 4.696 4.120 0.056 0.000 0.297 36 V C -0.136 175.722 176.094 -0.393 0.000 1.027 36 V CA -0.713 61.350 62.300 -0.395 0.000 0.855 36 V CB 1.902 33.357 31.823 -0.613 0.000 0.995 36 V HN 0.827 nan 8.190 nan 0.000 0.424 37 N N 5.137 123.716 118.700 -0.202 0.000 2.605 37 N HA 0.259 5.033 4.740 0.056 0.000 0.258 37 N C 1.310 176.762 175.510 -0.097 0.000 1.156 37 N CA 0.603 53.585 53.050 -0.113 0.000 1.008 37 N CB 1.742 40.194 38.487 -0.058 0.000 1.354 37 N HN 0.960 nan 8.380 nan 0.000 0.509 38 A N 1.673 124.435 122.820 -0.097 0.000 1.917 38 A HA 0.109 4.463 4.320 0.056 0.000 0.219 38 A C 1.012 178.629 177.584 0.054 0.000 1.182 38 A CA 1.916 53.969 52.037 0.027 0.000 0.633 38 A CB 0.048 19.186 19.000 0.230 0.000 0.819 38 A HN 0.648 nan 8.150 nan 0.000 0.448 39 A N -3.345 119.509 122.820 0.056 0.000 2.457 39 A HA 0.553 4.907 4.320 0.056 0.000 0.305 39 A C -1.355 176.259 177.584 0.049 0.000 1.110 39 A CA -0.102 51.965 52.037 0.050 0.000 0.616 39 A CB 0.154 19.195 19.000 0.067 0.000 1.371 39 A HN 0.199 nan 8.150 nan 0.000 0.525 40 E N 0.467 120.692 120.200 0.042 0.000 2.183 40 E HA 0.614 4.998 4.350 0.056 0.000 0.271 40 E C 0.393 177.029 176.600 0.061 0.000 0.919 40 E CA -0.080 56.343 56.400 0.038 0.000 0.781 40 E CB 1.856 31.559 29.700 0.005 0.000 1.140 40 E HN 1.361 nan 8.360 nan 0.000 0.402 41 S N 1.523 117.275 115.700 0.086 0.000 2.617 41 S HA 0.140 4.643 4.470 0.056 0.000 0.255 41 S C 1.110 175.789 174.600 0.130 0.000 1.318 41 S CA -0.300 57.983 58.200 0.138 0.000 0.978 41 S CB 0.055 63.351 63.200 0.161 0.000 0.961 41 S HN 0.654 nan 8.310 nan 0.000 0.582 42 F N 1.346 121.342 119.950 0.076 0.000 2.126 42 F HA -0.090 4.461 4.527 0.039 0.000 0.299 42 F C 2.260 178.090 175.800 0.050 0.000 1.096 42 F CA 2.087 60.125 58.000 0.063 0.000 1.255 42 F CB -0.406 38.637 39.000 0.072 0.000 0.997 42 F HN 0.745 nan 8.300 nan 0.000 0.479 43 E N -0.513 119.793 120.200 0.176 0.000 2.511 43 E HA 0.122 4.506 4.350 0.056 0.000 0.196 43 E C 1.463 178.056 176.600 -0.011 0.000 1.066 43 E CA 0.539 56.984 56.400 0.075 0.000 0.871 43 E CB -0.171 29.631 29.700 0.171 0.000 0.863 43 E HN 0.628 nan 8.360 nan 0.000 0.520 44 G N 1.921 110.710 108.800 -0.018 0.000 2.168 44 G HA2 -0.227 3.767 3.960 0.056 0.000 0.197 44 G HA3 -0.227 3.767 3.960 0.056 0.000 0.197 44 G C 0.044 174.953 174.900 0.016 0.000 0.997 44 G CA -0.522 44.566 45.100 -0.019 0.000 0.658 44 G HN 0.084 nan 8.290 nan 0.000 0.513 45 R N 1.286 121.813 120.500 0.046 0.000 2.349 45 R HA 0.436 4.810 4.340 0.056 0.000 0.299 45 R C -2.400 173.933 176.300 0.055 0.000 1.027 45 R CA -1.654 54.478 56.100 0.053 0.000 0.958 45 R CB 1.211 31.557 30.300 0.076 0.000 1.047 45 R HN 0.156 nan 8.270 nan 0.000 0.468 46 P HA 0.057 nan 4.420 nan 0.000 0.268 46 P C -0.413 176.925 177.300 0.064 0.000 1.204 46 P CA 0.296 63.421 63.100 0.041 0.000 0.768 46 P CB 0.675 32.389 31.700 0.024 0.000 0.842 47 I N 4.171 124.787 120.570 0.077 0.000 2.306 47 I HA 0.211 4.415 4.170 0.056 0.000 0.288 47 I C 0.792 176.972 176.117 0.107 0.000 1.036 47 I CA -0.481 60.887 61.300 0.114 0.000 1.221 47 I CB 0.536 38.624 38.000 0.146 0.000 1.385 47 I HN 0.171 nan 8.210 nan 0.000 0.472 48 K N 6.624 127.087 120.400 0.105 0.000 2.208 48 K HA 0.691 5.044 4.320 0.056 0.000 0.247 48 K C -1.105 175.612 176.600 0.195 0.000 0.953 48 K CA -0.823 55.507 56.287 0.071 0.000 0.837 48 K CB 1.920 34.437 32.500 0.028 0.000 1.131 48 K HN 0.425 nan 8.250 nan 0.000 0.431 49 Y N -1.078 119.286 120.300 0.106 0.000 2.705 49 Y HA 0.702 5.283 4.550 0.052 0.000 0.332 49 Y C -1.125 174.838 175.900 0.106 0.000 1.157 49 Y CA -1.711 56.471 58.100 0.137 0.000 1.091 49 Y CB 1.188 39.753 38.460 0.175 0.000 1.301 49 Y HN 0.381 nan 8.280 nan 0.000 0.488 50 I N 1.661 122.505 120.570 0.456 0.000 2.582 50 I HA 0.393 4.596 4.170 0.056 0.000 0.292 50 I C -1.400 174.908 176.117 0.318 0.000 1.066 50 I CA -1.160 60.301 61.300 0.268 0.000 1.053 50 I CB 2.322 40.416 38.000 0.157 0.000 1.241 50 I HN 0.763 nan 8.210 nan 0.000 0.421 51 K N 7.156 127.691 120.400 0.224 0.000 2.367 51 K HA 0.556 4.910 4.320 0.056 0.000 0.263 51 K C -0.954 175.736 176.600 0.151 0.000 1.000 51 K CA -0.628 55.781 56.287 0.203 0.000 0.891 51 K CB 1.936 34.550 32.500 0.191 0.000 1.117 51 K HN 0.314 nan 8.250 nan 0.000 0.443 52 I N 2.072 122.757 120.570 0.191 0.000 2.339 52 I HA 0.314 4.517 4.170 0.056 0.000 0.290 52 I C -0.054 176.188 176.117 0.208 0.000 0.994 52 I CA -0.310 61.083 61.300 0.155 0.000 1.191 52 I CB 1.008 39.071 38.000 0.106 0.000 1.343 52 I HN 0.514 nan 8.210 nan 0.000 0.458 53 S N 3.299 119.081 115.700 0.137 0.000 2.548 53 S HA 0.354 4.858 4.470 0.056 0.000 0.278 53 S C 0.524 175.178 174.600 0.090 0.000 1.150 53 S CA -0.259 58.026 58.200 0.142 0.000 0.907 53 S CB 1.439 64.716 63.200 0.129 0.000 1.108 53 S HN 0.760 nan 8.310 nan 0.000 0.459 54 T N 0.604 115.210 114.554 0.087 0.000 3.129 54 T HA 0.217 4.601 4.350 0.056 0.000 0.251 54 T C 1.108 175.838 174.700 0.049 0.000 1.117 54 T CA 1.016 63.150 62.100 0.055 0.000 1.034 54 T CB -0.438 68.457 68.868 0.046 0.000 0.968 54 T HN 0.779 nan 8.240 nan 0.000 0.526 55 T N -0.445 114.144 114.554 0.059 0.000 1.672 55 T HA 0.483 4.867 4.350 0.056 0.000 0.180 55 T C 0.180 174.913 174.700 0.054 0.000 0.699 55 T CA 0.210 62.340 62.100 0.050 0.000 1.153 55 T CB 0.680 69.577 68.868 0.047 0.000 3.217 55 T HN 0.137 nan 8.240 nan 0.000 0.426 56 E N 0.344 120.582 120.200 0.064 0.000 4.153 56 E HA -0.168 4.215 4.350 0.056 0.000 0.376 56 E C -0.622 176.007 176.600 0.049 0.000 0.598 56 E CA 1.234 57.666 56.400 0.053 0.000 1.343 56 E CB -1.175 28.550 29.700 0.042 0.000 1.793 56 E HN 0.633 nan 8.360 nan 0.000 0.392 57 D N -1.217 119.213 120.400 0.051 0.000 2.487 57 D HA 0.439 5.113 4.640 0.056 0.000 0.262 57 D C 1.184 177.517 176.300 0.056 0.000 1.130 57 D CA 1.239 55.267 54.000 0.045 0.000 1.038 57 D CB 0.390 41.212 40.800 0.038 0.000 1.142 57 D HN 0.162 nan 8.370 nan 0.000 0.575 58 N N -0.381 118.356 118.700 0.062 0.000 2.743 58 N HA -0.318 4.456 4.740 0.056 0.000 0.237 58 N C 0.244 175.802 175.510 0.079 0.000 1.049 58 N CA 2.345 55.432 53.050 0.062 0.000 1.006 58 N CB -1.617 36.889 38.487 0.031 0.000 1.135 58 N HN 0.513 nan 8.380 nan 0.000 0.605 59 K N 1.480 121.921 120.400 0.069 0.000 2.273 59 K HA 0.305 4.659 4.320 0.056 0.000 0.287 59 K C -2.383 174.286 176.600 0.115 0.000 1.089 59 K CA -1.394 54.925 56.287 0.053 0.000 0.909 59 K CB 1.525 34.043 32.500 0.030 0.000 1.123 59 K HN 0.445 nan 8.250 nan 0.000 0.473 60 P HA -0.026 nan 4.420 nan 0.000 0.271 60 P C -0.304 177.014 177.300 0.031 0.000 1.238 60 P CA -0.303 62.880 63.100 0.138 0.000 0.794 60 P CB 0.677 32.457 31.700 0.132 0.000 0.959 61 V N 2.131 121.955 119.914 -0.149 0.000 2.483 61 V HA 0.307 4.460 4.120 0.056 0.000 0.295 61 V C 0.428 176.289 176.094 -0.389 0.000 1.035 61 V CA -0.639 61.521 62.300 -0.234 0.000 0.896 61 V CB 1.422 33.134 31.823 -0.185 0.000 0.986 61 V HN 0.333 nan 8.190 nan 0.000 0.447 62 I N 4.819 125.036 120.570 -0.590 0.000 2.378 62 I HA 0.440 4.644 4.170 0.056 0.000 0.291 62 I C -0.570 175.420 176.117 -0.211 0.000 0.992 62 I CA -0.275 60.637 61.300 -0.647 0.000 1.154 62 I CB 1.321 38.428 38.000 -1.489 0.000 1.315 62 I HN 0.601 nan 8.210 nan 0.000 0.448 63 F N 7.561 127.420 119.950 -0.152 0.000 2.507 63 F HA 0.700 5.259 4.527 0.052 0.000 0.325 63 F C -0.995 174.903 175.800 0.164 0.000 1.116 63 F CA -0.681 57.334 58.000 0.024 0.000 0.930 63 F CB 1.438 40.460 39.000 0.037 0.000 1.146 63 F HN 0.264 nan 8.300 nan 0.000 0.447 64 I N 5.080 125.625 120.570 -0.041 0.000 2.582 64 I HA 0.350 4.553 4.170 0.056 0.000 0.292 64 I C -1.656 174.315 176.117 -0.243 0.000 1.066 64 I CA -0.701 60.474 61.300 -0.208 0.000 1.053 64 I CB 2.290 40.309 38.000 0.032 0.000 1.241 64 I HN 0.586 nan 8.210 nan 0.000 0.421 65 D N 3.592 123.823 120.400 -0.282 0.000 2.552 65 D HA 0.830 5.504 4.640 0.056 0.000 0.239 65 D C -0.698 175.570 176.300 -0.053 0.000 1.139 65 D CA -0.624 53.319 54.000 -0.097 0.000 0.914 65 D CB 2.166 42.933 40.800 -0.055 0.000 1.461 65 D HN 0.712 nan 8.370 nan 0.000 0.462 66 G N -2.386 106.415 108.800 0.002 0.000 2.682 66 G HA2 0.605 4.599 3.960 0.056 0.000 0.290 66 G HA3 0.605 4.599 3.960 0.056 0.000 0.290 66 G C 0.377 175.264 174.900 -0.022 0.000 1.425 66 G CA -0.325 44.751 45.100 -0.039 0.000 0.807 66 G HN 1.495 nan 8.290 nan 0.000 0.482 67 G N -1.025 107.750 108.800 -0.041 0.000 2.159 67 G HA2 -0.267 3.726 3.960 0.056 0.000 0.256 67 G HA3 -0.267 3.726 3.960 0.056 0.000 0.256 67 G C 1.314 176.269 174.900 0.093 0.000 0.977 67 G CA 0.694 45.803 45.100 0.015 0.000 0.652 67 G HN 0.771 nan 8.290 nan 0.000 0.531 68 I N -0.044 120.540 120.570 0.024 0.000 2.127 68 I HA -0.075 4.128 4.170 0.056 0.000 0.241 68 I C 1.438 177.708 176.117 0.255 0.000 1.075 68 I CA 1.262 62.631 61.300 0.114 0.000 1.334 68 I CB -0.275 37.740 38.000 0.025 0.000 1.040 68 I HN 0.342 nan 8.210 nan 0.000 0.405 69 H N 0.014 119.175 119.070 0.152 0.000 2.552 69 H HA 0.319 4.906 4.556 0.051 0.000 0.311 69 H C 1.055 176.512 175.328 0.215 0.000 1.071 69 H CA -0.268 55.884 56.048 0.174 0.000 1.307 69 H CB 1.574 31.448 29.762 0.187 0.000 1.416 69 H HN 0.187 nan 8.280 nan 0.000 0.464 70 A N 4.583 127.633 122.820 0.384 0.000 1.884 70 A HA -0.284 4.069 4.320 0.056 0.000 0.219 70 A C 2.287 180.176 177.584 0.508 0.000 1.197 70 A CA 1.984 54.310 52.037 0.481 0.000 0.637 70 A CB -0.420 18.917 19.000 0.562 0.000 0.827 70 A HN 0.895 nan 8.150 nan 0.000 0.450 71 R N 0.269 120.923 120.500 0.257 0.000 2.189 71 R HA -0.045 4.328 4.340 0.056 0.000 0.223 71 R C -0.056 176.297 176.300 0.088 0.000 1.092 71 R CA 1.195 57.314 56.100 0.030 0.000 0.989 71 R CB -0.525 29.572 30.300 -0.338 0.000 0.876 71 R HN 0.554 nan 8.270 nan 0.000 0.457 72 E N 1.297 121.672 120.200 0.292 0.000 1.999 72 E HA -0.050 4.333 4.350 0.056 0.000 0.296 72 E C -0.262 176.618 176.600 0.467 0.000 1.187 72 E CA -0.467 56.174 56.400 0.402 0.000 1.229 72 E CB -0.029 29.922 29.700 0.418 0.000 1.131 72 E HN 0.362 nan 8.360 nan 0.000 0.478 73 W N 0.788 122.132 121.300 0.074 0.000 2.364 73 W HA -0.146 4.564 4.660 0.084 0.000 0.281 73 W C 1.750 178.342 176.519 0.122 0.000 1.219 73 W CA 0.070 57.412 57.345 -0.004 0.000 1.220 73 W CB -0.440 28.639 29.460 -0.634 0.000 1.127 73 W HN 0.457 nan 8.180 nan 0.000 0.556 74 I N -0.224 120.583 120.570 0.394 0.000 2.676 74 I HA -0.175 4.029 4.170 0.056 0.000 0.259 74 I C 2.567 178.879 176.117 0.325 0.000 1.194 74 I CA 1.352 62.928 61.300 0.459 0.000 1.473 74 I CB -0.848 37.381 38.000 0.382 0.000 1.096 74 I HN -0.146 nan 8.210 nan 0.000 0.443 75 S N 1.084 116.947 115.700 0.272 0.000 2.351 75 S HA -0.088 4.415 4.470 0.056 0.000 0.220 75 S C -0.190 174.496 174.600 0.144 0.000 1.035 75 S CA 2.051 60.358 58.200 0.179 0.000 1.031 75 S CB -1.191 62.079 63.200 0.116 0.000 0.928 75 S HN 0.293 nan 8.310 nan 0.000 0.433 76 P HA -0.000 nan 4.420 nan 0.000 0.215 76 P C -1.561 175.830 177.300 0.152 0.000 1.157 76 P CA 1.795 64.936 63.100 0.068 0.000 0.868 76 P CB -0.957 30.689 31.700 -0.091 0.000 0.788 77 P HA -0.199 nan 4.420 nan 0.000 0.216 77 P C 1.812 179.337 177.300 0.376 0.000 1.150 77 P CA 2.125 65.412 63.100 0.311 0.000 0.843 77 P CB -0.654 31.250 31.700 0.339 0.000 0.787 78 S N -1.460 114.403 115.700 0.272 0.000 2.399 78 S HA -0.103 4.401 4.470 0.056 0.000 0.231 78 S C 1.846 176.599 174.600 0.255 0.000 1.022 78 S CA 1.449 59.791 58.200 0.237 0.000 0.983 78 S CB -1.500 61.791 63.200 0.151 0.000 0.803 78 S HN -0.012 nan 8.310 nan 0.000 0.480 79 V N 2.486 122.529 119.914 0.216 0.000 2.725 79 V HA -0.044 4.110 4.120 0.056 0.000 0.247 79 V C 3.032 179.269 176.094 0.239 0.000 1.058 79 V CA 1.670 64.090 62.300 0.200 0.000 1.080 79 V CB -1.167 30.746 31.823 0.150 0.000 0.713 79 V HN 0.835 nan 8.190 nan 0.000 0.465 80 T N -2.975 111.745 114.554 0.277 0.000 2.951 80 T HA -0.228 4.155 4.350 0.056 0.000 0.268 80 T C 1.773 176.655 174.700 0.303 0.000 1.073 80 T CA 0.874 63.167 62.100 0.321 0.000 1.134 80 T CB -0.391 68.596 68.868 0.197 0.000 0.884 80 T HN 0.642 nan 8.240 nan 0.000 0.479 81 W N 2.157 123.542 121.300 0.142 0.000 2.381 81 W HA 0.076 4.767 4.660 0.051 0.000 0.301 81 W C 2.419 178.847 176.519 -0.150 0.000 1.205 81 W CA 1.059 58.366 57.345 -0.063 0.000 1.285 81 W CB -0.428 28.917 29.460 -0.190 0.000 1.133 81 W HN 0.414 nan 8.180 nan 0.000 0.521 82 A N 0.799 123.615 122.820 -0.006 0.000 1.972 82 A HA -0.168 4.186 4.320 0.056 0.000 0.219 82 A C 1.985 179.359 177.584 -0.350 0.000 1.169 82 A CA 1.712 53.638 52.037 -0.185 0.000 0.635 82 A CB -0.956 18.206 19.000 0.269 0.000 0.810 82 A HN 0.334 nan 8.150 nan 0.000 0.446 83 I N -1.276 119.231 120.570 -0.104 0.000 2.252 83 I HA -0.261 3.942 4.170 0.056 0.000 0.245 83 I C 2.552 178.538 176.117 -0.219 0.000 1.102 83 I CA 1.570 62.823 61.300 -0.078 0.000 1.385 83 I CB -0.574 37.518 38.000 0.154 0.000 1.064 83 I HN 0.572 nan 8.210 nan 0.000 0.414 84 H N 1.991 120.869 119.070 -0.320 0.000 2.352 84 H HA -0.162 4.428 4.556 0.056 0.000 0.299 84 H C 1.748 176.631 175.328 -0.742 0.000 1.097 84 H CA 1.362 57.121 56.048 -0.480 0.000 1.311 84 H CB 0.289 29.610 29.762 -0.735 0.000 1.377 84 H HN 0.112 nan 8.280 nan 0.000 0.504 85 K N 0.735 120.369 120.400 -1.278 0.000 2.296 85 K HA 0.023 4.376 4.320 0.056 0.000 0.200 85 K C 2.131 178.181 176.600 -0.917 0.000 1.048 85 K CA 0.277 55.735 56.287 -1.380 0.000 0.966 85 K CB 0.072 31.186 32.500 -2.309 0.000 0.754 85 K HN 0.381 nan 8.250 nan 0.000 0.466 86 L N 0.807 121.572 121.223 -0.764 0.000 2.592 86 L HA 0.040 4.414 4.340 0.056 0.000 0.227 86 L C 1.376 177.970 176.870 -0.459 0.000 1.127 86 L CA 0.047 54.559 54.840 -0.547 0.000 0.884 86 L CB -0.212 41.496 42.059 -0.585 0.000 1.065 86 L HN 0.142 nan 8.230 nan 0.000 0.457 87 E N 0.487 120.275 120.200 -0.687 0.000 2.535 87 E HA -0.358 4.026 4.350 0.056 0.000 0.249 87 E C 0.572 176.950 176.600 -0.370 0.000 1.106 87 E CA 2.160 58.284 56.400 -0.459 0.000 1.212 87 E CB -0.277 29.369 29.700 -0.091 0.000 1.058 87 E HN 0.375 nan 8.360 nan 0.000 0.469 88 D N -0.015 120.022 120.400 -0.606 0.000 2.441 88 D HA 0.230 4.903 4.640 0.056 0.000 0.287 88 D C -0.649 175.382 176.300 -0.450 0.000 1.198 88 D CA -0.293 53.429 54.000 -0.464 0.000 0.894 88 D CB 0.600 41.086 40.800 -0.523 0.000 1.070 88 D HN -0.156 nan 8.370 nan 0.000 0.499 96 E N 1.424 121.675 120.200 0.085 0.000 3.898 96 E HA 0.550 4.934 4.350 0.056 0.000 0.219 96 E C 1.280 177.928 176.600 0.080 0.000 1.207 96 E CA 0.401 56.864 56.400 0.105 0.000 1.240 96 E CB -0.053 29.746 29.700 0.165 0.000 1.239 96 E HN 0.483 nan 8.360 nan 0.000 0.422 97 N N 1.587 120.312 118.700 0.042 0.000 2.247 97 N HA -0.245 4.529 4.740 0.056 0.000 0.189 97 N C 1.334 176.874 175.510 0.050 0.000 1.009 97 N CA 1.905 54.971 53.050 0.027 0.000 0.872 97 N CB -0.682 37.812 38.487 0.012 0.000 0.980 97 N HN 0.478 nan 8.380 nan 0.000 0.436 98 D N -0.963 119.476 120.400 0.065 0.000 2.363 98 D HA -0.029 4.644 4.640 0.056 0.000 0.226 98 D C 1.382 177.760 176.300 0.131 0.000 1.020 98 D CA 0.271 54.310 54.000 0.065 0.000 0.892 98 D CB -0.078 40.753 40.800 0.052 0.000 0.900 98 D HN 0.373 nan 8.370 nan 0.000 0.531 99 L N 0.282 121.639 121.223 0.224 0.000 2.270 99 L HA 0.106 4.480 4.340 0.056 0.000 0.210 99 L C 2.362 179.574 176.870 0.569 0.000 1.104 99 L CA 0.921 56.052 54.840 0.486 0.000 0.804 99 L CB -0.301 41.976 42.059 0.363 0.000 0.937 99 L HN 0.072 nan 8.230 nan 0.000 0.450 100 L N -1.836 119.547 121.223 0.267 0.000 2.416 100 L HA 0.006 4.379 4.340 0.056 0.000 0.216 100 L C 2.078 179.034 176.870 0.144 0.000 1.098 100 L CA 0.268 55.249 54.840 0.235 0.000 0.840 100 L CB -0.144 41.964 42.059 0.081 0.000 0.981 100 L HN 0.247 nan 8.230 nan 0.000 0.462 101 E N 0.507 120.748 120.200 0.068 0.000 2.107 101 E HA -0.148 4.235 4.350 0.056 0.000 0.191 101 E C 1.919 178.466 176.600 -0.089 0.000 0.982 101 E CA 0.893 57.291 56.400 -0.003 0.000 0.809 101 E CB 0.242 29.932 29.700 -0.017 0.000 0.756 101 E HN 0.384 nan 8.360 nan 0.000 0.459 102 K N -0.416 119.848 120.400 -0.227 0.000 2.166 102 K HA 0.068 4.421 4.320 0.056 0.000 0.201 102 K C 0.160 176.296 176.600 -0.773 0.000 1.052 102 K CA 0.617 56.506 56.287 -0.664 0.000 0.969 102 K CB 0.360 32.132 32.500 -1.213 0.000 0.761 102 K HN -0.046 nan 8.250 nan 0.000 0.459 103 F N 0.185 120.222 119.950 0.144 0.000 2.640 103 F HA 0.372 4.933 4.527 0.057 0.000 0.324 103 F C -0.274 175.575 175.800 0.082 0.000 1.077 103 F CA -1.543 56.456 58.000 -0.001 0.000 0.965 103 F CB 0.798 39.610 39.000 -0.314 0.000 1.351 103 F HN -0.284 nan 8.300 nan 0.000 0.487 104 D N -0.277 120.204 120.400 0.134 0.000 2.228 104 D HA 0.361 5.035 4.640 0.056 0.000 0.247 104 D C -1.443 174.850 176.300 -0.011 0.000 0.995 104 D CA -0.017 54.084 54.000 0.169 0.000 0.903 104 D CB 1.713 42.559 40.800 0.076 0.000 1.205 104 D HN 0.362 nan 8.370 nan 0.000 0.459 105 W N 0.801 122.142 121.300 0.067 0.000 2.819 105 W HA 0.562 5.254 4.660 0.053 0.000 0.337 105 W C -0.411 176.139 176.519 0.053 0.000 1.077 105 W CA -0.612 56.772 57.345 0.066 0.000 1.226 105 W CB 1.040 30.558 29.460 0.096 0.000 1.419 105 W HN 0.031 nan 8.180 nan 0.000 0.502 106 I N 4.791 125.523 120.570 0.272 0.000 2.439 106 I HA 0.300 4.504 4.170 0.056 0.000 0.285 106 I C -1.094 175.272 176.117 0.415 0.000 1.021 106 I CA -0.914 60.523 61.300 0.228 0.000 1.091 106 I CB 0.934 38.888 38.000 -0.077 0.000 1.242 106 I HN -0.015 nan 8.210 nan 0.000 0.439 107 L N 7.200 128.646 121.223 0.372 0.000 2.349 107 L HA 0.490 4.864 4.340 0.056 0.000 0.278 107 L C -0.673 176.402 176.870 0.341 0.000 0.996 107 L CA -0.651 54.392 54.840 0.340 0.000 0.825 107 L CB 1.610 43.837 42.059 0.280 0.000 1.243 107 L HN 0.441 nan 8.230 nan 0.000 0.412 108 L N 7.221 128.636 121.223 0.320 0.000 2.384 108 L HA 0.542 4.915 4.340 0.056 0.000 0.261 108 L C -1.927 175.063 176.870 0.200 0.000 1.024 108 L CA -1.492 53.536 54.840 0.314 0.000 0.899 108 L CB 1.538 43.837 42.059 0.399 0.000 1.243 108 L HN 0.195 nan 8.230 nan 0.000 0.449 109 P HA -0.143 nan 4.420 nan 0.000 0.214 109 P C -0.319 176.993 177.300 0.020 0.000 1.163 109 P CA 1.227 64.386 63.100 0.099 0.000 0.889 109 P CB 0.169 31.935 31.700 0.109 0.000 0.790 110 V N -0.529 119.399 119.914 0.022 0.000 2.380 110 V HA 0.074 4.228 4.120 0.056 0.000 0.272 110 V C 1.257 177.405 176.094 0.090 0.000 1.011 110 V CA -0.210 62.074 62.300 -0.026 0.000 0.826 110 V CB 1.347 33.072 31.823 -0.163 0.000 1.040 110 V HN -0.184 nan 8.190 nan 0.000 0.441 111 V N 2.642 122.634 119.914 0.131 0.000 2.392 111 V HA -0.126 4.028 4.120 0.056 0.000 0.249 111 V C 1.321 177.536 176.094 0.202 0.000 1.059 111 V CA 2.045 64.462 62.300 0.196 0.000 1.051 111 V CB -0.259 31.701 31.823 0.227 0.000 0.658 111 V HN 0.897 nan 8.190 nan 0.000 0.455 112 N N 0.400 119.223 118.700 0.204 0.000 3.044 112 N HA 0.191 4.965 4.740 0.056 0.000 0.254 112 N C -1.426 174.245 175.510 0.267 0.000 1.253 112 N CA -2.203 50.996 53.050 0.247 0.000 0.944 112 N CB 1.338 39.999 38.487 0.290 0.000 1.217 112 N HN 0.136 nan 8.380 nan 0.000 0.498 113 P HA -0.040 nan 4.420 nan 0.000 0.221 113 P C 0.179 177.635 177.300 0.259 0.000 1.150 113 P CA 0.908 64.150 63.100 0.236 0.000 0.800 113 P CB 0.678 32.476 31.700 0.163 0.000 0.787 114 D N 0.339 120.885 120.400 0.244 0.000 2.097 114 D HA -0.077 4.596 4.640 0.056 0.000 0.197 114 D C 2.392 178.852 176.300 0.267 0.000 0.984 114 D CA 1.661 55.794 54.000 0.221 0.000 0.826 114 D CB -1.099 39.824 40.800 0.206 0.000 0.973 114 D HN 0.177 nan 8.370 nan 0.000 0.460 115 G N -0.132 108.882 108.800 0.358 0.000 2.404 115 G HA2 -0.309 3.685 3.960 0.056 0.000 0.215 115 G HA3 -0.309 3.685 3.960 0.056 0.000 0.215 115 G C 1.613 176.838 174.900 0.542 0.000 1.174 115 G CA 0.591 46.007 45.100 0.525 0.000 0.780 115 G HN 0.231 nan 8.290 nan 0.000 0.537 116 Y N 1.773 122.277 120.300 0.340 0.000 2.081 116 Y HA -0.217 4.337 4.550 0.006 0.000 0.280 116 Y C 2.799 178.878 175.900 0.298 0.000 1.163 116 Y CA 2.412 60.695 58.100 0.304 0.000 1.135 116 Y CB -0.261 38.302 38.460 0.171 0.000 0.970 116 Y HN 0.201 nan 8.280 nan 0.000 0.498 117 K N -0.653 119.858 120.400 0.186 0.000 2.097 117 K HA -0.254 4.099 4.320 0.056 0.000 0.206 117 K C 2.068 178.745 176.600 0.129 0.000 1.049 117 K CA 1.805 58.111 56.287 0.031 0.000 0.933 117 K CB -1.123 31.422 32.500 0.075 0.000 0.717 117 K HN 0.501 nan 8.250 nan 0.000 0.442 118 Y N 1.140 121.479 120.300 0.065 0.000 2.333 118 Y HA -0.182 4.375 4.550 0.013 0.000 0.290 118 Y C 1.934 177.875 175.900 0.069 0.000 1.144 118 Y CA 2.093 60.190 58.100 -0.005 0.000 1.228 118 Y CB -0.500 37.852 38.460 -0.182 0.000 0.985 118 Y HN 0.329 nan 8.280 nan 0.000 0.542 119 T N -3.055 111.618 114.554 0.198 0.000 2.995 119 T HA -0.144 4.240 4.350 0.056 0.000 0.269 119 T C 1.622 176.346 174.700 0.039 0.000 1.091 119 T CA 1.198 63.388 62.100 0.150 0.000 1.128 119 T CB -0.841 68.249 68.868 0.371 0.000 0.891 119 T HN 0.312 nan 8.240 nan 0.000 0.492 120 F N 2.156 122.038 119.950 -0.114 0.000 2.374 120 F HA 0.107 4.696 4.527 0.103 0.000 0.291 120 F C 3.016 178.734 175.800 -0.136 0.000 1.084 120 F CA 1.074 58.999 58.000 -0.125 0.000 1.413 120 F CB -0.200 38.642 39.000 -0.264 0.000 1.099 120 F HN 0.279 nan 8.300 nan 0.000 0.534 121 T N -3.125 111.433 114.554 0.006 0.000 2.978 121 T HA 0.038 4.422 4.350 0.056 0.000 0.262 121 T C 1.380 175.955 174.700 -0.207 0.000 1.063 121 T CA 1.048 63.099 62.100 -0.081 0.000 1.140 121 T CB -0.110 68.722 68.868 -0.061 0.000 0.886 121 T HN 0.162 nan 8.240 nan 0.000 0.470 122 N N 0.455 118.888 118.700 -0.445 0.000 2.509 122 N HA 0.146 4.920 4.740 0.056 0.000 0.254 122 N C -0.449 174.819 175.510 -0.403 0.000 1.064 122 N CA 0.168 52.913 53.050 -0.508 0.000 0.865 122 N CB 1.342 39.333 38.487 -0.827 0.000 1.659 122 N HN 0.440 nan 8.380 nan 0.000 0.495 123 E N 1.062 120.971 120.200 -0.485 0.000 2.343 123 E HA 0.217 4.601 4.350 0.056 0.000 0.260 123 E C -0.145 176.423 176.600 -0.055 0.000 0.908 123 E CA -0.283 56.039 56.400 -0.129 0.000 0.814 123 E CB 2.705 32.462 29.700 0.096 0.000 1.302 123 E HN -0.011 nan 8.360 nan 0.000 0.408 124 R N 1.961 122.360 120.500 -0.168 0.000 2.153 124 R HA -0.158 4.216 4.340 0.056 0.000 0.252 124 R C 0.482 176.403 176.300 -0.632 0.000 1.158 124 R CA 1.904 57.722 56.100 -0.471 0.000 0.975 124 R CB -0.142 29.679 30.300 -0.799 0.000 0.871 124 R HN 0.478 nan 8.270 nan 0.000 0.450 125 F N -0.459 119.475 119.950 -0.027 0.000 2.713 125 F HA 0.212 4.780 4.527 0.068 0.000 0.294 125 F C 0.360 176.189 175.800 0.049 0.000 1.152 125 F CA -0.852 57.111 58.000 -0.062 0.000 1.385 125 F CB -0.185 38.764 39.000 -0.084 0.000 0.981 125 F HN 0.053 nan 8.300 nan 0.000 0.514 126 W N 2.824 124.185 121.300 0.102 0.000 2.190 126 W HA 0.143 4.842 4.660 0.065 0.000 0.330 126 W C 0.993 177.572 176.519 0.101 0.000 1.299 126 W CA -0.160 57.291 57.345 0.177 0.000 1.215 126 W CB 0.744 30.440 29.460 0.393 0.000 1.147 126 W HN 0.166 nan 8.180 nan 0.000 0.563 127 R N 3.035 123.225 120.500 -0.517 0.000 2.369 127 R HA 0.107 4.480 4.340 0.056 0.000 0.210 127 R C 0.280 176.378 176.300 -0.337 0.000 0.881 127 R CA 0.220 56.099 56.100 -0.368 0.000 1.031 127 R CB 0.315 30.357 30.300 -0.430 0.000 1.184 127 R HN 0.338 nan 8.270 nan 0.000 0.581 128 K N 0.506 120.475 120.400 -0.719 0.000 2.399 128 K HA 0.192 4.545 4.320 0.056 0.000 0.247 128 K C 0.285 177.072 176.600 0.313 0.000 1.036 128 K CA -0.193 55.978 56.287 -0.194 0.000 0.977 128 K CB 0.847 33.196 32.500 -0.252 0.000 1.272 128 K HN 0.027 nan 8.250 nan 0.000 0.501 129 T N -1.235 113.513 114.554 0.324 0.000 2.753 129 T HA 0.198 4.582 4.350 0.056 0.000 0.309 129 T C 0.698 175.643 174.700 0.408 0.000 1.043 129 T CA -0.487 61.825 62.100 0.352 0.000 0.964 129 T CB 0.472 69.481 68.868 0.236 0.000 1.206 129 T HN 0.382 nan 8.240 nan 0.000 0.528 130 R N 0.634 121.252 120.500 0.197 0.000 2.690 130 R HA 0.240 4.614 4.340 0.056 0.000 0.419 130 R C 0.256 176.432 176.300 -0.207 0.000 1.090 130 R CA -0.233 55.871 56.100 0.007 0.000 1.064 130 R CB 0.415 30.654 30.300 -0.102 0.000 1.391 130 R HN 0.845 nan 8.270 nan 0.000 0.586 131 S N 0.420 115.921 115.700 -0.331 0.000 2.584 131 S HA 0.355 4.858 4.470 0.056 0.000 0.273 131 S C 0.557 174.684 174.600 -0.790 0.000 1.311 131 S CA -0.317 57.261 58.200 -1.036 0.000 1.034 131 S CB 1.644 64.514 63.200 -0.550 0.000 0.939 131 S HN 0.245 nan 8.310 nan 0.000 0.513 132 T N -0.927 112.967 114.554 -1.100 0.000 2.930 132 T HA 0.687 5.071 4.350 0.056 0.000 0.290 132 T C 0.094 174.724 174.700 -0.116 0.000 1.052 132 T CA -0.478 61.417 62.100 -0.340 0.000 1.017 132 T CB 1.584 70.387 68.868 -0.108 0.000 1.137 132 T HN 0.779 nan 8.240 nan 0.000 0.511 133 N N -0.279 118.429 118.700 0.013 0.000 2.011 133 N HA 0.055 4.829 4.740 0.056 0.000 0.254 133 N C 1.346 176.901 175.510 0.075 0.000 1.205 133 N CA 0.266 53.365 53.050 0.081 0.000 0.783 133 N CB -0.718 37.817 38.487 0.080 0.000 1.472 133 N HN 0.480 nan 8.380 nan 0.000 0.524 134 L N 1.482 122.702 121.223 -0.006 0.000 3.513 134 L HA -0.374 4.000 4.340 0.056 0.000 0.286 134 L C 1.359 178.206 176.870 -0.037 0.000 1.021 134 L CA 2.296 57.123 54.840 -0.022 0.000 0.829 134 L CB -1.650 40.389 42.059 -0.033 0.000 1.000 134 L HN 0.598 nan 8.230 nan 0.000 0.601 135 S N -2.552 113.128 115.700 -0.034 0.000 2.603 135 S HA -0.078 4.426 4.470 0.056 0.000 0.229 135 S C 1.605 176.181 174.600 -0.040 0.000 0.972 135 S CA 0.744 58.916 58.200 -0.048 0.000 0.935 135 S CB -0.005 63.177 63.200 -0.030 0.000 0.769 135 S HN 0.682 nan 8.310 nan 0.000 0.536 136 Q N 0.968 120.755 119.800 -0.021 0.000 2.269 136 Q HA 0.341 4.715 4.340 0.056 0.000 0.201 136 Q C 1.661 177.650 176.000 -0.019 0.000 0.946 136 Q CA 1.207 57.003 55.803 -0.011 0.000 0.877 136 Q CB -0.214 28.528 28.738 0.006 0.000 0.963 136 Q HN 0.713 nan 8.270 nan 0.000 0.472 137 I N -1.509 119.051 120.570 -0.018 0.000 2.556 137 I HA -0.038 4.165 4.170 0.056 0.000 0.251 137 I C 0.216 176.330 176.117 -0.006 0.000 1.105 137 I CA 0.162 61.456 61.300 -0.011 0.000 1.436 137 I CB 0.417 38.413 38.000 -0.006 0.000 1.139 137 I HN -0.042 nan 8.210 nan 0.000 0.438 138 c N 3.617 122.204 118.600 -0.022 0.000 2.138 138 c HA 0.331 4.935 4.570 0.056 0.000 0.398 138 c C 0.856 174.936 174.090 -0.017 0.000 1.029 138 c CA -0.843 55.473 56.329 -0.022 0.000 1.426 138 c CB -1.926 40.522 42.510 -0.103 0.000 1.652 138 c HN 0.243 nan 8.230 nan 0.000 0.486 139 R N 1.334 121.864 120.500 0.050 0.000 2.583 139 R HA 0.623 4.996 4.340 0.056 0.000 0.268 139 R C 0.876 177.289 176.300 0.188 0.000 1.101 139 R CA 0.310 56.431 56.100 0.034 0.000 1.180 139 R CB 0.295 30.548 30.300 -0.078 0.000 1.128 139 R HN 0.802 nan 8.270 nan 0.000 0.568 140 G N -0.487 108.378 108.800 0.108 0.000 2.915 140 G HA2 0.008 4.001 3.960 0.056 0.000 0.337 140 G HA3 0.008 4.001 3.960 0.056 0.000 0.337 140 G C -1.008 174.043 174.900 0.251 0.000 1.477 140 G CA -0.303 44.911 45.100 0.191 0.000 0.916 140 G HN 0.832 nan 8.290 nan 0.000 0.550 141 A N -0.392 122.560 122.820 0.219 0.000 2.539 141 A HA 0.669 5.023 4.320 0.056 0.000 0.296 141 A C -0.357 177.310 177.584 0.138 0.000 1.073 141 A CA 0.378 52.549 52.037 0.223 0.000 0.700 141 A CB 1.832 20.893 19.000 0.102 0.000 1.296 141 A HN 1.294 nan 8.150 nan 0.000 0.405 142 D N 1.635 122.096 120.400 0.102 0.000 2.346 142 D HA 0.224 4.897 4.640 0.056 0.000 0.267 142 D C 1.561 177.996 176.300 0.225 0.000 1.320 142 D CA 1.031 55.102 54.000 0.117 0.000 0.951 142 D CB 0.685 41.530 40.800 0.074 0.000 1.079 142 D HN 0.621 nan 8.370 nan 0.000 0.509 143 G N 4.156 113.135 108.800 0.298 0.000 2.475 143 G HA2 -0.340 3.654 3.960 0.056 0.000 0.220 143 G HA3 -0.340 3.654 3.960 0.056 0.000 0.220 143 G C 1.362 176.527 174.900 0.441 0.000 1.125 143 G CA 0.356 45.652 45.100 0.327 0.000 0.755 143 G HN 0.526 nan 8.290 nan 0.000 0.565 144 N N -0.448 118.546 118.700 0.489 0.000 2.322 144 N HA 0.110 4.884 4.740 0.056 0.000 0.216 144 N C 1.422 177.158 175.510 0.378 0.000 1.144 144 N CA -0.100 53.218 53.050 0.447 0.000 0.830 144 N CB 0.104 38.769 38.487 0.297 0.000 1.034 144 N HN 0.031 nan 8.380 nan 0.000 0.484 145 R N -1.022 119.677 120.500 0.331 0.000 2.541 145 R HA 0.231 4.605 4.340 0.056 0.000 0.332 145 R C 0.405 176.857 176.300 0.254 0.000 0.951 145 R CA -0.088 56.137 56.100 0.209 0.000 1.136 145 R CB -0.289 30.059 30.300 0.080 0.000 1.449 145 R HN 0.289 nan 8.270 nan 0.000 0.531 146 N N 0.057 118.931 118.700 0.291 0.000 2.336 146 N HA 0.088 4.862 4.740 0.056 0.000 0.189 146 N C -0.588 174.731 175.510 -0.319 0.000 1.113 146 N CA 0.039 53.164 53.050 0.125 0.000 0.858 146 N CB 0.360 38.835 38.487 -0.021 0.000 0.970 146 N HN -0.113 nan 8.380 nan 0.000 0.471 147 F N 0.764 120.585 119.950 -0.215 0.000 2.371 147 F HA 0.147 4.705 4.527 0.053 0.000 0.329 147 F C 0.924 176.458 175.800 -0.443 0.000 1.107 147 F CA -0.909 56.659 58.000 -0.719 0.000 1.137 147 F CB 0.601 39.451 39.000 -0.250 0.000 1.214 147 F HN -0.159 nan 8.300 nan 0.000 0.536 148 D N 2.334 122.382 120.400 -0.587 0.000 2.551 148 D HA 0.064 4.737 4.640 0.056 0.000 0.223 148 D C -1.378 175.240 176.300 0.530 0.000 1.144 148 D CA 0.338 54.371 54.000 0.056 0.000 1.025 148 D CB -0.899 40.036 40.800 0.224 0.000 1.085 148 D HN 0.268 nan 8.370 nan 0.000 0.506 149 F N 3.316 123.458 119.950 0.320 0.000 2.745 149 F HA 0.189 4.749 4.527 0.055 0.000 0.343 149 F C 0.488 176.361 175.800 0.123 0.000 1.196 149 F CA -1.116 57.032 58.000 0.247 0.000 1.021 149 F CB 0.850 40.031 39.000 0.301 0.000 1.297 149 F HN -0.008 nan 8.300 nan 0.000 0.486 150 V N 3.106 122.743 119.914 -0.462 0.000 4.482 150 V HA -0.317 3.837 4.120 0.056 0.000 0.232 150 V C 0.219 176.248 176.094 -0.107 0.000 0.583 150 V CA 0.859 62.926 62.300 -0.389 0.000 0.816 150 V CB -2.674 28.724 31.823 -0.709 0.000 0.795 150 V HN 0.917 nan 8.190 nan 0.000 1.066 151 W N 2.214 123.444 121.300 -0.116 0.000 2.551 151 W HA 0.129 4.821 4.660 0.053 0.000 0.336 151 W C 1.390 177.873 176.519 -0.058 0.000 1.158 151 W CA 1.546 58.853 57.345 -0.063 0.000 1.258 151 W CB -0.454 28.962 29.460 -0.074 0.000 1.157 151 W HN 0.786 nan 8.180 nan 0.000 0.562 152 N N 1.605 119.712 118.700 -0.988 0.000 2.815 152 N HA -0.369 4.405 4.740 0.056 0.000 0.247 152 N C 1.450 176.725 175.510 -0.391 0.000 1.030 152 N CA 1.134 53.637 53.050 -0.911 0.000 0.881 152 N CB -1.025 36.657 38.487 -1.342 0.000 1.134 152 N HN 0.523 nan 8.380 nan 0.000 0.582 153 S N -0.298 115.258 115.700 -0.240 0.000 2.383 153 S HA 0.100 4.604 4.470 0.056 0.000 0.227 153 S C 0.920 175.463 174.600 -0.096 0.000 1.026 153 S CA 0.932 59.050 58.200 -0.136 0.000 0.981 153 S CB 0.478 63.610 63.200 -0.114 0.000 0.818 153 S HN 0.465 nan 8.310 nan 0.000 0.472 154 I N -1.416 119.112 120.570 -0.071 0.000 2.908 154 I HA 0.507 4.710 4.170 0.056 0.000 0.300 154 I C 0.167 176.303 176.117 0.033 0.000 1.385 154 I CA 0.086 61.383 61.300 -0.005 0.000 1.004 154 I CB 1.626 39.650 38.000 0.039 0.000 1.309 154 I HN 0.373 nan 8.210 nan 0.000 0.449 155 G N 3.291 112.125 108.800 0.057 0.000 2.176 155 G HA2 -0.200 3.794 3.960 0.056 0.000 0.252 155 G HA3 -0.200 3.794 3.960 0.056 0.000 0.252 155 G C -0.115 174.782 174.900 -0.005 0.000 1.024 155 G CA 0.576 45.717 45.100 0.069 0.000 0.755 155 G HN 1.081 nan 8.290 nan 0.000 0.507 156 T N -3.521 111.001 114.554 -0.054 0.000 2.804 156 T HA 0.811 5.195 4.350 0.056 0.000 0.290 156 T C -0.463 174.199 174.700 -0.062 0.000 1.099 156 T CA 0.058 62.106 62.100 -0.087 0.000 1.011 156 T CB 2.319 71.067 68.868 -0.200 0.000 1.291 156 T HN 1.364 nan 8.240 nan 0.000 0.523 157 S N -1.169 114.515 115.700 -0.027 0.000 2.547 157 S HA 0.400 4.904 4.470 0.056 0.000 0.281 157 S C 0.121 174.783 174.600 0.103 0.000 1.118 157 S CA -0.813 57.397 58.200 0.016 0.000 0.947 157 S CB 1.092 64.302 63.200 0.017 0.000 1.053 157 S HN 0.761 nan 8.310 nan 0.000 0.482 158 N N 1.696 120.443 118.700 0.079 0.000 2.457 158 N HA 0.002 4.776 4.740 0.056 0.000 0.180 158 N C 0.445 176.040 175.510 0.142 0.000 1.050 158 N CA 0.111 53.251 53.050 0.150 0.000 0.906 158 N CB 0.170 38.702 38.487 0.075 0.000 0.968 158 N HN 0.482 nan 8.380 nan 0.000 0.445 159 S N 1.327 117.049 115.700 0.037 0.000 2.549 159 S HA 0.090 4.594 4.470 0.056 0.000 0.283 159 S C -1.555 172.865 174.600 -0.300 0.000 1.320 159 S CA -1.463 56.686 58.200 -0.085 0.000 1.058 159 S CB 0.841 64.002 63.200 -0.065 0.000 0.882 159 S HN 0.127 nan 8.310 nan 0.000 0.498 160 P HA 0.158 nan 4.420 nan 0.000 0.245 160 P C 0.842 177.812 177.300 -0.550 0.000 1.206 160 P CA 0.254 62.617 63.100 -1.229 0.000 0.781 160 P CB -0.082 31.058 31.700 -0.932 0.000 0.994 161 c N -0.287 118.151 118.600 -0.270 0.000 2.697 161 c HA 0.220 4.823 4.570 0.056 0.000 0.267 161 c C 1.493 175.527 174.090 -0.093 0.000 1.278 161 c CA 0.188 56.447 56.329 -0.117 0.000 1.708 161 c CB -1.383 41.091 42.510 -0.061 0.000 1.860 161 c HN 0.231 nan 8.230 nan 0.000 0.589 162 S N 0.779 116.419 115.700 -0.100 0.000 2.565 162 S HA 0.072 4.575 4.470 0.056 0.000 0.276 162 S C 0.866 175.426 174.600 -0.067 0.000 1.326 162 S CA -0.080 58.084 58.200 -0.060 0.000 1.045 162 S CB 0.387 63.576 63.200 -0.017 0.000 0.918 162 S HN 0.432 nan 8.310 nan 0.000 0.505 163 D N 2.935 123.263 120.400 -0.120 0.000 2.371 163 D HA -0.005 4.668 4.640 0.056 0.000 0.221 163 D C 1.168 177.391 176.300 -0.129 0.000 0.986 163 D CA 0.888 54.772 54.000 -0.194 0.000 0.899 163 D CB -0.032 40.625 40.800 -0.238 0.000 0.902 163 D HN 0.766 nan 8.370 nan 0.000 0.530 164 I N -2.398 118.137 120.570 -0.057 0.000 3.816 164 I HA 0.190 4.393 4.170 0.056 0.000 0.334 164 I C -0.085 176.049 176.117 0.028 0.000 1.551 164 I CA -0.918 60.364 61.300 -0.030 0.000 1.153 164 I CB -0.339 37.628 38.000 -0.055 0.000 1.197 164 I HN -0.299 nan 8.210 nan 0.000 0.439 165 Y N 2.565 122.824 120.300 -0.070 0.000 2.465 165 Y HA 0.420 5.002 4.550 0.052 0.000 0.331 165 Y C 1.343 177.242 175.900 -0.002 0.000 1.102 165 Y CA -0.640 57.435 58.100 -0.042 0.000 1.358 165 Y CB 1.441 39.886 38.460 -0.026 0.000 1.213 165 Y HN 0.272 nan 8.280 nan 0.000 0.525 166 A N 4.727 127.307 122.820 -0.400 0.000 2.238 166 A HA 0.454 4.808 4.320 0.056 0.000 0.208 166 A C 1.252 178.738 177.584 -0.163 0.000 1.177 166 A CA 0.837 52.697 52.037 -0.295 0.000 0.804 166 A CB -1.186 17.450 19.000 -0.607 0.000 0.823 166 A HN 1.684 nan 8.150 nan 0.000 0.482 167 G N -1.821 106.439 108.800 -0.900 0.000 2.566 167 G HA2 -0.072 3.921 3.960 0.056 0.000 0.599 167 G HA3 -0.072 3.921 3.960 0.056 0.000 0.599 167 G C 0.627 175.386 174.900 -0.236 0.000 1.292 167 G CA 0.364 45.128 45.100 -0.561 0.000 0.922 167 G HN 0.937 nan 8.290 nan 0.000 0.514 168 T N -2.119 112.447 114.554 0.021 0.000 2.896 168 T HA 0.429 4.813 4.350 0.056 0.000 0.263 168 T C 1.329 176.035 174.700 0.010 0.000 1.050 168 T CA 2.162 64.332 62.100 0.117 0.000 1.140 168 T CB -0.346 68.581 68.868 0.098 0.000 0.877 168 T HN 2.353 nan 8.240 nan 0.000 0.457 169 S N -0.279 115.242 115.700 -0.299 0.000 2.615 169 S HA 0.707 5.210 4.470 0.056 0.000 0.269 169 S C -0.782 173.070 174.600 -1.247 0.000 1.161 169 S CA -0.858 56.772 58.200 -0.949 0.000 0.817 169 S CB 1.092 63.996 63.200 -0.493 0.000 1.131 169 S HN 0.685 nan 8.310 nan 0.000 0.467 170 A N 0.360 122.138 122.820 -1.738 0.000 2.540 170 A HA 0.546 4.900 4.320 0.056 0.000 0.239 170 A C 0.344 177.567 177.584 -0.602 0.000 1.061 170 A CA 0.062 51.294 52.037 -1.342 0.000 0.758 170 A CB -1.424 16.990 19.000 -0.976 0.000 0.991 170 A HN 1.639 nan 8.150 nan 0.000 0.502 171 F N 0.895 120.601 119.950 -0.407 0.000 3.093 171 F HA -0.305 4.253 4.527 0.053 0.000 0.287 171 F C 1.942 177.610 175.800 -0.220 0.000 0.882 171 F CA 0.800 58.608 58.000 -0.319 0.000 1.063 171 F CB -2.029 36.794 39.000 -0.294 0.000 1.097 171 F HN 0.761 nan 8.300 nan 0.000 0.604 172 S N -1.773 113.868 115.700 -0.097 0.000 2.481 172 S HA -0.054 4.450 4.470 0.056 0.000 0.231 172 S C 0.608 175.228 174.600 0.034 0.000 0.996 172 S CA 0.701 58.876 58.200 -0.041 0.000 0.942 172 S CB 0.095 63.256 63.200 -0.065 0.000 0.768 172 S HN 0.342 nan 8.310 nan 0.000 0.520 173 E N 1.135 121.359 120.200 0.040 0.000 2.191 173 E HA 0.272 4.655 4.350 0.056 0.000 0.278 173 E C 0.900 177.560 176.600 0.100 0.000 0.972 173 E CA -0.337 56.118 56.400 0.091 0.000 0.804 173 E CB 1.833 31.589 29.700 0.093 0.000 1.110 173 E HN 0.038 nan 8.360 nan 0.000 0.394 174 V N 3.323 123.316 119.914 0.132 0.000 2.407 174 V HA -0.309 3.844 4.120 0.056 0.000 0.248 174 V C 1.394 177.558 176.094 0.117 0.000 1.055 174 V CA 2.203 64.570 62.300 0.112 0.000 1.049 174 V CB -0.039 31.858 31.823 0.124 0.000 0.662 174 V HN 0.570 nan 8.190 nan 0.000 0.455 175 E N -0.113 120.174 120.200 0.146 0.000 2.058 175 E HA -0.190 4.194 4.350 0.056 0.000 0.194 175 E C 2.329 179.025 176.600 0.160 0.000 0.997 175 E CA 1.998 58.500 56.400 0.170 0.000 0.801 175 E CB -0.753 29.066 29.700 0.198 0.000 0.746 175 E HN 0.574 nan 8.360 nan 0.000 0.450 176 T N -0.100 114.511 114.554 0.096 0.000 2.833 176 T HA -0.094 4.290 4.350 0.056 0.000 0.269 176 T C 1.641 176.335 174.700 -0.009 0.000 1.054 176 T CA 1.076 63.147 62.100 -0.048 0.000 1.135 176 T CB -0.058 68.678 68.868 -0.220 0.000 0.869 176 T HN 0.069 nan 8.240 nan 0.000 0.466 177 R N 0.162 120.679 120.500 0.028 0.000 2.115 177 R HA 0.022 4.395 4.340 0.056 0.000 0.226 177 R C 2.395 178.676 176.300 -0.031 0.000 1.100 177 R CA 0.767 56.808 56.100 -0.098 0.000 0.980 177 R CB -0.440 29.812 30.300 -0.080 0.000 0.875 177 R HN 0.262 nan 8.270 nan 0.000 0.445 178 V N 0.826 120.785 119.914 0.075 0.000 2.287 178 V HA -0.241 3.913 4.120 0.056 0.000 0.248 178 V C 2.369 178.555 176.094 0.154 0.000 1.053 178 V CA 2.017 64.397 62.300 0.134 0.000 1.027 178 V CB -0.454 31.490 31.823 0.201 0.000 0.646 178 V HN 0.287 nan 8.190 nan 0.000 0.447 179 V N 0.474 120.540 119.914 0.254 0.000 2.453 179 V HA -0.208 3.946 4.120 0.056 0.000 0.247 179 V C 2.540 178.815 176.094 0.302 0.000 1.048 179 V CA 2.366 64.895 62.300 0.381 0.000 1.049 179 V CB -0.649 31.551 31.823 0.629 0.000 0.672 179 V HN 0.552 nan 8.190 nan 0.000 0.457 180 R N -0.142 120.508 120.500 0.250 0.000 2.091 180 R HA -0.207 4.167 4.340 0.056 0.000 0.238 180 R C 1.960 178.355 176.300 0.159 0.000 1.136 180 R CA 2.459 58.657 56.100 0.164 0.000 0.959 180 R CB -0.619 29.391 30.300 -0.483 0.000 0.856 180 R HN 0.590 nan 8.270 nan 0.000 0.437 181 D N 0.347 120.767 120.400 0.034 0.000 2.178 181 D HA -0.095 4.578 4.640 0.056 0.000 0.202 181 D C 1.924 178.216 176.300 -0.015 0.000 0.974 181 D CA 1.080 55.093 54.000 0.021 0.000 0.841 181 D CB -0.069 40.727 40.800 -0.006 0.000 0.953 181 D HN 0.366 nan 8.370 nan 0.000 0.478 182 I N 0.179 120.689 120.570 -0.100 0.000 2.233 182 I HA -0.193 4.011 4.170 0.056 0.000 0.243 182 I C 2.298 178.285 176.117 -0.217 0.000 1.093 182 I CA 0.525 61.662 61.300 -0.272 0.000 1.380 182 I CB -0.143 37.358 38.000 -0.832 0.000 1.067 182 I HN -0.040 nan 8.210 nan 0.000 0.413 183 L N 0.002 121.110 121.223 -0.191 0.000 1.990 183 L HA -0.285 4.088 4.340 0.056 0.000 0.213 183 L C 2.807 179.578 176.870 -0.164 0.000 1.072 183 L CA 1.533 56.278 54.840 -0.158 0.000 0.755 183 L CB -0.970 41.028 42.059 -0.100 0.000 0.889 183 L HN 0.349 nan 8.230 nan 0.000 0.432 184 H N -0.677 118.379 119.070 -0.023 0.000 2.326 184 H HA -0.189 4.400 4.556 0.055 0.000 0.301 184 H C 2.167 177.430 175.328 -0.107 0.000 1.081 184 H CA 1.718 57.743 56.048 -0.040 0.000 1.334 184 H CB -0.058 29.687 29.762 -0.028 0.000 1.385 184 H HN 0.422 nan 8.280 nan 0.000 0.504 185 E N 0.463 120.617 120.200 -0.078 0.000 2.171 185 E HA -0.187 4.196 4.350 0.056 0.000 0.197 185 E C 0.645 176.959 176.600 -0.476 0.000 0.997 185 E CA 1.063 57.275 56.400 -0.314 0.000 0.810 185 E CB 0.138 29.543 29.700 -0.492 0.000 0.738 185 E HN 0.584 nan 8.360 nan 0.000 0.467 186 H N -0.591 118.434 119.070 -0.075 0.000 2.581 186 H HA 0.118 4.708 4.556 0.055 0.000 0.275 186 H C 0.698 175.986 175.328 -0.068 0.000 1.126 186 H CA -0.231 55.771 56.048 -0.077 0.000 1.097 186 H CB 0.230 29.912 29.762 -0.132 0.000 1.626 186 H HN 0.162 nan 8.280 nan 0.000 0.565 187 L N 3.252 124.477 121.223 0.003 0.000 4.052 187 L HA -0.076 4.297 4.340 0.056 0.000 0.269 187 L C 1.416 178.316 176.870 0.050 0.000 1.360 187 L CA 0.179 55.013 54.840 -0.011 0.000 1.006 187 L CB -0.412 41.622 42.059 -0.042 0.000 1.461 187 L HN 0.252 nan 8.230 nan 0.000 0.407 188 R N -0.432 120.175 120.500 0.178 0.000 2.477 188 R HA -0.214 4.159 4.340 0.056 0.000 0.227 188 R C 0.460 176.660 176.300 -0.166 0.000 1.336 188 R CA 0.519 56.748 56.100 0.216 0.000 1.363 188 R CB -0.997 29.437 30.300 0.222 0.000 0.747 188 R HN 0.459 nan 8.270 nan 0.000 0.509 189 M N 0.905 120.376 119.600 -0.214 0.000 2.108 189 M HA 0.244 4.757 4.480 0.056 0.000 0.347 189 M C 0.854 176.771 176.300 -0.638 0.000 1.326 189 M CA 0.095 55.207 55.300 -0.315 0.000 1.126 189 M CB 1.340 33.864 32.600 -0.127 0.000 1.606 189 M HN 0.298 nan 8.290 nan 0.000 0.462 190 A N 5.330 127.673 122.820 -0.794 0.000 2.081 190 A HA 0.318 4.671 4.320 0.056 0.000 0.214 190 A C 0.082 177.450 177.584 -0.359 0.000 1.158 190 A CA 0.381 51.910 52.037 -0.846 0.000 0.724 190 A CB 0.285 18.873 19.000 -0.687 0.000 0.826 190 A HN 0.696 nan 8.150 nan 0.000 0.463 191 L N -2.501 118.554 121.223 -0.280 0.000 2.556 191 L HA 0.596 4.970 4.340 0.056 0.000 0.257 191 L C -1.963 174.904 176.870 -0.006 0.000 0.955 191 L CA -0.705 54.056 54.840 -0.132 0.000 0.850 191 L CB 1.904 43.860 42.059 -0.172 0.000 1.398 191 L HN 0.198 nan 8.230 nan 0.000 0.412 192 Y N 4.638 124.887 120.300 -0.085 0.000 2.373 192 Y HA 0.794 5.376 4.550 0.053 0.000 0.336 192 Y C -2.041 173.840 175.900 -0.031 0.000 0.979 192 Y CA -1.232 56.826 58.100 -0.070 0.000 1.080 192 Y CB 1.542 39.984 38.460 -0.030 0.000 1.190 192 Y HN 0.561 nan 8.280 nan 0.000 0.446 193 L N 5.783 126.671 121.223 -0.558 0.000 2.356 193 L HA 0.538 4.912 4.340 0.056 0.000 0.277 193 L C -0.348 176.100 176.870 -0.705 0.000 0.996 193 L CA -0.910 53.663 54.840 -0.445 0.000 0.822 193 L CB 2.274 44.270 42.059 -0.106 0.000 1.256 193 L HN 0.679 nan 8.230 nan 0.000 0.413 194 T N 4.429 118.662 114.554 -0.536 0.000 2.772 194 T HA 0.480 4.864 4.350 0.056 0.000 0.288 194 T C -0.110 174.636 174.700 0.077 0.000 0.994 194 T CA -0.670 61.254 62.100 -0.294 0.000 0.951 194 T CB 0.410 69.164 68.868 -0.191 0.000 0.933 194 T HN 0.301 nan 8.240 nan 0.000 0.447 195 M N 6.046 125.653 119.600 0.012 0.000 2.146 195 M HA 0.349 4.863 4.480 0.056 0.000 0.352 195 M C 0.351 176.642 176.300 -0.015 0.000 1.343 195 M CA 0.033 55.382 55.300 0.082 0.000 1.115 195 M CB -0.009 32.605 32.600 0.023 0.000 1.657 195 M HN 0.693 nan 8.290 nan 0.000 0.471 196 H N 0.412 119.570 119.070 0.146 0.000 3.436 196 H HA 0.726 5.319 4.556 0.061 0.000 0.312 196 H C -0.534 174.943 175.328 0.248 0.000 1.675 196 H CA -0.657 55.498 56.048 0.178 0.000 1.361 196 H CB 2.107 31.950 29.762 0.134 0.000 1.731 196 H HN 0.626 nan 8.280 nan 0.000 0.732 197 S N 0.150 116.120 115.700 0.451 0.000 2.556 197 S HA 0.451 4.955 4.470 0.056 0.000 0.280 197 S C -1.773 173.122 174.600 0.492 0.000 1.141 197 S CA -0.815 57.654 58.200 0.449 0.000 0.883 197 S CB 0.576 64.068 63.200 0.486 0.000 1.103 197 S HN 0.532 nan 8.310 nan 0.000 0.453 198 F N 0.410 120.435 119.950 0.125 0.000 2.664 198 F HA 0.997 5.556 4.527 0.053 0.000 0.329 198 F C 0.866 176.630 175.800 -0.059 0.000 1.090 198 F CA -0.391 57.608 58.000 -0.003 0.000 0.978 198 F CB 1.271 40.192 39.000 -0.131 0.000 1.378 198 F HN 1.162 nan 8.300 nan 0.000 0.495 199 G N -0.609 108.222 108.800 0.052 0.000 2.870 199 G HA2 0.057 4.050 3.960 0.056 0.000 0.216 199 G HA3 0.057 4.050 3.960 0.056 0.000 0.216 199 G C -0.218 174.559 174.900 -0.205 0.000 0.973 199 G CA -0.199 44.838 45.100 -0.105 0.000 0.807 199 G HN 1.286 nan 8.290 nan 0.000 0.573 200 S N -0.468 115.056 115.700 -0.294 0.000 3.430 200 S HA -0.150 4.354 4.470 0.056 0.000 0.442 200 S C 0.076 174.255 174.600 -0.702 0.000 0.845 200 S CA 1.754 59.449 58.200 -0.842 0.000 1.357 200 S CB -1.162 61.504 63.200 -0.890 0.000 0.925 200 S HN 0.954 nan 8.310 nan 0.000 0.642 201 M N 1.353 120.774 119.600 -0.298 0.000 2.622 201 M HA 0.657 5.171 4.480 0.056 0.000 0.276 201 M C -0.801 175.475 176.300 -0.040 0.000 1.265 201 M CA -0.488 54.755 55.300 -0.095 0.000 0.850 201 M CB 2.037 34.550 32.600 -0.145 0.000 1.720 201 M HN 0.244 nan 8.290 nan 0.000 0.465 202 I N 3.040 123.525 120.570 -0.142 0.000 2.493 202 I HA 0.422 4.625 4.170 0.056 0.000 0.279 202 I C -1.454 174.559 176.117 -0.174 0.000 1.045 202 I CA -0.378 60.718 61.300 -0.339 0.000 1.106 202 I CB 1.070 38.745 38.000 -0.542 0.000 1.216 202 I HN 0.490 nan 8.210 nan 0.000 0.459 203 L N 6.721 127.865 121.223 -0.132 0.000 2.331 203 L HA 0.596 4.969 4.340 0.056 0.000 0.275 203 L C -0.845 176.004 176.870 -0.035 0.000 1.022 203 L CA -0.958 53.773 54.840 -0.181 0.000 0.812 203 L CB 1.210 43.144 42.059 -0.209 0.000 1.257 203 L HN 0.421 nan 8.230 nan 0.000 0.435 204 Y N 0.519 120.769 120.300 -0.084 0.000 2.576 204 Y HA 0.753 5.336 4.550 0.056 0.000 0.346 204 Y C -2.936 172.795 175.900 -0.282 0.000 1.018 204 Y CA -3.795 54.144 58.100 -0.269 0.000 1.050 204 Y CB 0.360 38.602 38.460 -0.363 0.000 1.280 204 Y HN 0.302 nan 8.280 nan 0.000 0.474 205 P HA -0.048 nan 4.420 nan 0.000 0.269 205 P C -1.337 175.843 177.300 -0.200 0.000 1.211 205 P CA 0.484 63.415 63.100 -0.280 0.000 0.781 205 P CB 0.382 31.598 31.700 -0.806 0.000 0.877 206 W N 0.548 121.949 121.300 0.169 0.000 2.391 206 W HA 0.438 5.131 4.660 0.055 0.000 0.311 206 W C 1.445 178.072 176.519 0.179 0.000 1.087 206 W CA -0.451 57.031 57.345 0.229 0.000 1.209 206 W CB 0.913 30.604 29.460 0.386 0.000 1.273 206 W HN 0.427 nan 8.180 nan 0.000 0.482 207 G N 1.451 110.544 108.800 0.489 0.000 2.572 207 G HA2 -0.245 3.749 3.960 0.056 0.000 0.216 207 G HA3 -0.245 3.749 3.960 0.056 0.000 0.216 207 G C 1.352 176.514 174.900 0.436 0.000 1.133 207 G CA 0.960 46.264 45.100 0.340 0.000 0.791 207 G HN 0.715 nan 8.290 nan 0.000 0.538 208 H N 1.008 120.338 119.070 0.433 0.000 2.415 208 H HA -0.002 4.588 4.556 0.056 0.000 0.297 208 H C 1.110 176.505 175.328 0.111 0.000 1.048 208 H CA 1.452 57.670 56.048 0.283 0.000 1.365 208 H CB -0.051 29.821 29.762 0.184 0.000 1.421 208 H HN 0.476 nan 8.280 nan 0.000 0.533 209 D N -1.033 118.991 120.400 -0.627 0.000 2.500 209 D HA 0.112 4.786 4.640 0.056 0.000 0.217 209 D C 1.336 177.640 176.300 0.007 0.000 1.159 209 D CA 0.172 53.870 54.000 -0.503 0.000 0.828 209 D CB -0.286 40.178 40.800 -0.560 0.000 1.039 209 D HN 0.501 nan 8.370 nan 0.000 0.512 210 G N 1.055 109.983 108.800 0.212 0.000 2.305 210 G HA2 -0.245 3.749 3.960 0.056 0.000 0.287 210 G HA3 -0.245 3.749 3.960 0.056 0.000 0.287 210 G C 0.281 175.273 174.900 0.153 0.000 1.036 210 G CA 0.809 46.040 45.100 0.219 0.000 0.887 210 G HN 0.878 nan 8.290 nan 0.000 0.505 211 S N -1.273 114.537 115.700 0.182 0.000 2.704 211 S HA 0.844 5.348 4.470 0.056 0.000 0.305 211 S C 0.196 174.977 174.600 0.302 0.000 1.107 211 S CA -1.169 57.154 58.200 0.206 0.000 0.993 211 S CB 2.114 65.425 63.200 0.184 0.000 1.110 211 S HN 0.586 nan 8.310 nan 0.000 0.534 212 L N 2.495 123.863 121.223 0.242 0.000 2.375 212 L HA 0.472 4.846 4.340 0.056 0.000 0.271 212 L C 0.879 177.907 176.870 0.262 0.000 1.107 212 L CA -0.613 54.341 54.840 0.191 0.000 0.806 212 L CB 1.613 43.740 42.059 0.115 0.000 1.146 212 L HN 0.978 nan 8.230 nan 0.000 0.447 213 S N 1.009 116.750 115.700 0.069 0.000 2.693 213 S HA 0.312 4.816 4.470 0.056 0.000 0.276 213 S C 0.861 175.548 174.600 0.144 0.000 1.192 213 S CA 0.061 58.377 58.200 0.193 0.000 0.994 213 S CB 1.605 64.703 63.200 -0.171 0.000 1.012 213 S HN 0.652 nan 8.310 nan 0.000 0.550 214 Q N 0.446 120.354 119.800 0.180 0.000 2.368 214 Q HA -0.080 4.294 4.340 0.056 0.000 0.210 214 Q C 1.298 177.328 176.000 0.050 0.000 0.982 214 Q CA 2.121 57.986 55.803 0.104 0.000 0.884 214 Q CB -1.101 27.696 28.738 0.099 0.000 0.933 214 Q HN 0.826 nan 8.270 nan 0.000 0.460 215 N N -1.209 117.513 118.700 0.036 0.000 2.328 215 N HA 0.446 5.220 4.740 0.056 0.000 0.247 215 N C 1.247 176.671 175.510 -0.144 0.000 1.165 215 N CA 0.594 53.628 53.050 -0.026 0.000 0.873 215 N CB 0.038 38.538 38.487 0.023 0.000 1.125 215 N HN 0.418 nan 8.380 nan 0.000 0.513 216 A N 0.057 122.795 122.820 -0.135 0.000 1.948 216 A HA -0.155 4.198 4.320 0.056 0.000 0.220 216 A C 1.959 179.409 177.584 -0.224 0.000 1.177 216 A CA 1.090 52.994 52.037 -0.223 0.000 0.636 216 A CB -0.551 18.391 19.000 -0.097 0.000 0.815 216 A HN 0.406 nan 8.150 nan 0.000 0.449 217 L N -0.059 121.092 121.223 -0.120 0.000 1.955 217 L HA -0.049 4.324 4.340 0.056 0.000 0.213 217 L C 2.531 179.352 176.870 -0.082 0.000 1.072 217 L CA 2.562 57.356 54.840 -0.076 0.000 0.755 217 L CB -1.215 40.819 42.059 -0.040 0.000 0.888 217 L HN 0.308 nan 8.230 nan 0.000 0.432 218 G N -0.798 107.951 108.800 -0.085 0.000 2.450 218 G HA2 -0.239 3.754 3.960 0.056 0.000 0.220 218 G HA3 -0.239 3.754 3.960 0.056 0.000 0.220 218 G C 1.642 176.475 174.900 -0.112 0.000 1.130 218 G CA 1.115 46.173 45.100 -0.070 0.000 0.760 218 G HN 0.424 nan 8.290 nan 0.000 0.557 219 L N -0.907 120.158 121.223 -0.264 0.000 2.005 219 L HA -0.081 4.293 4.340 0.056 0.000 0.207 219 L C 2.675 179.352 176.870 -0.321 0.000 1.072 219 L CA 1.383 55.960 54.840 -0.438 0.000 0.744 219 L CB -0.459 41.047 42.059 -0.923 0.000 0.895 219 L HN 0.293 nan 8.230 nan 0.000 0.433 220 H N -0.727 118.024 119.070 -0.530 0.000 2.395 220 H HA -0.117 4.473 4.556 0.056 0.000 0.299 220 H C 2.094 177.385 175.328 -0.062 0.000 1.070 220 H CA 1.733 57.656 56.048 -0.209 0.000 1.356 220 H CB 0.383 30.069 29.762 -0.127 0.000 1.401 220 H HN 0.244 nan 8.280 nan 0.000 0.524 221 T N 0.477 115.037 114.554 0.009 0.000 2.595 221 T HA -0.118 4.266 4.350 0.056 0.000 0.264 221 T C 2.238 176.902 174.700 -0.061 0.000 1.058 221 T CA 1.686 63.779 62.100 -0.011 0.000 1.166 221 T CB -0.435 68.434 68.868 0.000 0.000 0.863 221 T HN 0.125 nan 8.240 nan 0.000 0.415 222 V N 1.221 121.112 119.914 -0.039 0.000 2.594 222 V HA -0.063 4.090 4.120 0.056 0.000 0.253 222 V C 2.738 178.729 176.094 -0.172 0.000 1.069 222 V CA 1.729 63.993 62.300 -0.059 0.000 1.082 222 V CB -1.296 30.537 31.823 0.016 0.000 0.680 222 V HN 0.611 nan 8.190 nan 0.000 0.469 223 G N -0.193 108.502 108.800 -0.175 0.000 2.404 223 G HA2 -0.184 3.810 3.960 0.056 0.000 0.215 223 G HA3 -0.184 3.810 3.960 0.056 0.000 0.215 223 G C 1.670 176.391 174.900 -0.298 0.000 1.174 223 G CA 1.079 45.978 45.100 -0.335 0.000 0.780 223 G HN 0.363 nan 8.290 nan 0.000 0.537 224 V N 1.514 121.262 119.914 -0.278 0.000 2.407 224 V HA -0.121 4.032 4.120 0.056 0.000 0.248 224 V C 3.271 179.266 176.094 -0.164 0.000 1.055 224 V CA 1.988 64.148 62.300 -0.233 0.000 1.049 224 V CB -0.578 31.113 31.823 -0.221 0.000 0.662 224 V HN 0.469 nan 8.190 nan 0.000 0.455 225 A N -1.226 121.505 122.820 -0.148 0.000 2.014 225 A HA -0.120 4.234 4.320 0.056 0.000 0.218 225 A C 2.188 179.684 177.584 -0.145 0.000 1.163 225 A CA 1.623 53.589 52.037 -0.119 0.000 0.652 225 A CB -0.337 18.608 19.000 -0.092 0.000 0.808 225 A HN 0.507 nan 8.150 nan 0.000 0.449 226 M N -0.999 118.483 119.600 -0.198 0.000 2.248 226 M HA 0.007 4.521 4.480 0.056 0.000 0.265 226 M C 2.476 178.630 176.300 -0.243 0.000 1.079 226 M CA 1.150 56.324 55.300 -0.210 0.000 1.150 226 M CB -0.235 32.218 32.600 -0.244 0.000 1.366 226 M HN 0.419 nan 8.290 nan 0.000 0.433 227 A N -0.705 121.949 122.820 -0.276 0.000 2.070 227 A HA -0.134 4.220 4.320 0.056 0.000 0.220 227 A C 2.224 179.701 177.584 -0.179 0.000 1.159 227 A CA 2.014 53.877 52.037 -0.289 0.000 0.656 227 A CB -0.635 18.261 19.000 -0.173 0.000 0.800 227 A HN 0.444 nan 8.150 nan 0.000 0.453 228 S N -0.600 115.017 115.700 -0.139 0.000 2.335 228 S HA -0.092 4.411 4.470 0.056 0.000 0.217 228 S C 1.770 176.318 174.600 -0.086 0.000 1.032 228 S CA 1.434 59.581 58.200 -0.090 0.000 0.985 228 S CB -0.391 62.764 63.200 -0.075 0.000 0.896 228 S HN 0.300 nan 8.310 nan 0.000 0.445 229 V N 2.091 121.944 119.914 -0.101 0.000 3.026 229 V HA -0.058 4.096 4.120 0.056 0.000 0.265 229 V C 1.966 178.004 176.094 -0.094 0.000 1.121 229 V CA 1.165 63.412 62.300 -0.087 0.000 1.142 229 V CB -0.736 31.029 31.823 -0.095 0.000 0.730 229 V HN 0.482 nan 8.190 nan 0.000 0.503 230 I N -0.743 119.743 120.570 -0.139 0.000 2.400 230 I HA -0.130 4.074 4.170 0.056 0.000 0.248 230 I C 2.649 178.726 176.117 -0.065 0.000 1.109 230 I CA 0.801 62.010 61.300 -0.153 0.000 1.425 230 I CB -0.230 37.541 38.000 -0.382 0.000 1.094 230 I HN 0.268 nan 8.210 nan 0.000 0.425 231 Q N 0.166 119.938 119.800 -0.046 0.000 2.061 231 Q HA -0.230 4.144 4.340 0.056 0.000 0.204 231 Q C 2.352 178.353 176.000 0.002 0.000 0.984 231 Q CA 1.988 57.797 55.803 0.010 0.000 0.846 231 Q CB -0.850 27.893 28.738 0.009 0.000 0.902 231 Q HN 0.395 nan 8.270 nan 0.000 0.421 232 S N 0.633 116.324 115.700 -0.015 0.000 2.440 232 S HA -0.153 4.351 4.470 0.056 0.000 0.240 232 S C 1.089 175.688 174.600 -0.002 0.000 1.014 232 S CA 1.577 59.771 58.200 -0.010 0.000 0.980 232 S CB -0.019 63.170 63.200 -0.018 0.000 0.775 232 S HN 0.393 nan 8.310 nan 0.000 0.499 233 N N 0.258 118.956 118.700 -0.004 0.000 2.184 233 N HA 0.438 5.211 4.740 0.056 0.000 0.206 233 N C 0.018 175.536 175.510 0.014 0.000 1.151 233 N CA 0.422 53.475 53.050 0.006 0.000 0.878 233 N CB 0.709 39.200 38.487 0.006 0.000 1.014 233 N HN 0.391 nan 8.380 nan 0.000 0.512 234 A N 0.109 122.941 122.820 0.020 0.000 2.346 234 A HA 0.245 4.598 4.320 0.056 0.000 0.252 234 A C 0.904 178.504 177.584 0.027 0.000 1.089 234 A CA -0.184 51.873 52.037 0.034 0.000 0.797 234 A CB 0.297 19.333 19.000 0.060 0.000 1.047 234 A HN 0.085 nan 8.150 nan 0.000 0.494 235 L N 0.817 122.055 121.223 0.025 0.000 2.084 235 L HA 0.143 4.517 4.340 0.056 0.000 0.202 235 L C -0.740 176.138 176.870 0.012 0.000 1.074 235 L CA 1.352 56.209 54.840 0.028 0.000 0.757 235 L CB -1.690 40.399 42.059 0.050 0.000 0.918 235 L HN 0.662 nan 8.230 nan 0.000 0.444 236 P HA 0.142 nan 4.420 nan 0.000 0.269 236 P C -2.365 174.901 177.300 -0.057 0.000 1.217 236 P CA -0.727 62.331 63.100 -0.071 0.000 0.783 236 P CB -0.661 30.983 31.700 -0.094 0.000 0.898 237 P HA 0.184 nan 4.420 nan 0.000 0.274 237 P C -0.856 176.437 177.300 -0.013 0.000 1.231 237 P CA -0.229 62.881 63.100 0.017 0.000 0.790 237 P CB 0.446 32.153 31.700 0.012 0.000 0.951 238 Y N 0.114 120.387 120.300 -0.045 0.000 2.359 238 Y HA 0.182 4.765 4.550 0.055 0.000 0.330 238 Y C 1.002 176.854 175.900 -0.079 0.000 1.143 238 Y CA 0.788 58.850 58.100 -0.063 0.000 1.318 238 Y CB 0.824 39.240 38.460 -0.072 0.000 1.234 238 Y HN 0.227 nan 8.280 nan 0.000 0.522 239 T N 4.088 118.646 114.554 0.007 0.000 2.772 239 T HA 0.484 4.867 4.350 0.056 0.000 0.288 239 T C -0.549 174.127 174.700 -0.040 0.000 0.994 239 T CA -0.668 61.414 62.100 -0.029 0.000 0.951 239 T CB 0.567 69.387 68.868 -0.079 0.000 0.933 239 T HN 0.258 nan 8.240 nan 0.000 0.447 240 V N 2.642 122.526 119.914 -0.050 0.000 2.612 240 V HA 0.967 5.121 4.120 0.056 0.000 0.301 240 V C 0.778 176.846 176.094 -0.042 0.000 1.046 240 V CA -0.053 62.193 62.300 -0.091 0.000 0.946 240 V CB 1.372 33.085 31.823 -0.184 0.000 1.003 240 V HN 1.224 nan 8.190 nan 0.000 0.459 241 G N 2.468 111.206 108.800 -0.103 0.000 2.359 241 G HA2 0.025 4.018 3.960 0.056 0.000 0.293 241 G HA3 0.025 4.018 3.960 0.056 0.000 0.293 241 G C -1.110 173.202 174.900 -0.979 0.000 1.300 241 G CA -0.793 44.172 45.100 -0.225 0.000 0.888 241 G HN 0.703 nan 8.290 nan 0.000 0.541 242 N N 0.509 118.740 118.700 -0.782 0.000 2.468 242 N HA 0.094 4.868 4.740 0.056 0.000 0.265 242 N C 1.647 176.891 175.510 -0.442 0.000 1.199 242 N CA 0.885 53.512 53.050 -0.705 0.000 0.928 242 N CB 1.540 39.882 38.487 -0.242 0.000 1.059 242 N HN 0.593 nan 8.380 nan 0.000 0.467 243 S N 3.782 119.245 115.700 -0.395 0.000 2.378 243 S HA -0.274 4.230 4.470 0.056 0.000 0.229 243 S C 1.793 176.230 174.600 -0.272 0.000 1.052 243 S CA 2.075 60.110 58.200 -0.276 0.000 1.084 243 S CB -0.292 62.801 63.200 -0.177 0.000 0.950 243 S HN 0.757 nan 8.310 nan 0.000 0.440 244 A N 1.100 123.799 122.820 -0.202 0.000 1.873 244 A HA 0.077 4.430 4.320 0.056 0.000 0.215 244 A C 2.267 179.646 177.584 -0.341 0.000 1.186 244 A CA 1.492 53.359 52.037 -0.283 0.000 0.616 244 A CB -0.764 18.159 19.000 -0.129 0.000 0.823 244 A HN 0.581 nan 8.150 nan 0.000 0.442 245 L N -0.373 120.708 121.223 -0.236 0.000 1.994 245 L HA -0.128 4.246 4.340 0.056 0.000 0.208 245 L C 2.063 178.805 176.870 -0.213 0.000 1.071 245 L CA 0.981 55.700 54.840 -0.202 0.000 0.745 245 L CB -0.733 41.246 42.059 -0.133 0.000 0.892 245 L HN 0.179 nan 8.230 nan 0.000 0.431 246 V N 0.795 120.572 119.914 -0.228 0.000 3.504 246 V HA -0.117 4.037 4.120 0.056 0.000 0.273 246 V C 1.817 177.770 176.094 -0.236 0.000 1.228 246 V CA 1.432 63.607 62.300 -0.208 0.000 1.189 246 V CB -1.013 30.681 31.823 -0.215 0.000 0.881 246 V HN 0.569 nan 8.190 nan 0.000 0.529 247 G N -1.032 107.545 108.800 -0.373 0.000 3.159 247 G HA2 0.333 4.327 3.960 0.056 0.000 0.232 247 G HA3 0.333 4.327 3.960 0.056 0.000 0.232 247 G C 0.092 174.871 174.900 -0.202 0.000 1.116 247 G CA 0.144 45.124 45.100 -0.199 0.000 0.767 247 G HN 0.599 nan 8.290 nan 0.000 0.547 248 Y N -2.561 117.601 120.300 -0.230 0.000 2.744 248 Y HA 0.731 5.313 4.550 0.055 0.000 0.330 248 Y C -1.318 174.408 175.900 -0.291 0.000 1.263 248 Y CA -2.930 54.999 58.100 -0.285 0.000 1.065 248 Y CB 0.645 39.035 38.460 -0.117 0.000 1.306 248 Y HN -0.116 nan 8.280 nan 0.000 0.459 249 Y N 1.307 121.708 120.300 0.169 0.000 2.320 249 Y HA 0.679 5.262 4.550 0.055 0.000 0.324 249 Y C -0.176 175.857 175.900 0.222 0.000 1.190 249 Y CA -0.985 57.189 58.100 0.123 0.000 1.215 249 Y CB 1.139 39.655 38.460 0.092 0.000 1.221 249 Y HN 0.420 nan 8.280 nan 0.000 0.486 250 I N 2.053 122.847 120.570 0.374 0.000 2.607 250 I HA 0.612 4.815 4.170 0.056 0.000 0.290 250 I C -0.834 175.483 176.117 0.333 0.000 1.129 250 I CA -0.972 60.516 61.300 0.313 0.000 1.042 250 I CB 1.934 40.092 38.000 0.264 0.000 1.242 250 I HN 0.671 nan 8.210 nan 0.000 0.421 251 A N 3.625 126.588 122.820 0.239 0.000 2.340 251 A HA 0.771 5.124 4.320 0.056 0.000 0.331 251 A C 0.666 178.384 177.584 0.223 0.000 1.140 251 A CA 0.041 52.211 52.037 0.221 0.000 0.801 251 A CB 1.203 20.221 19.000 0.030 0.000 1.234 251 A HN 1.296 nan 8.150 nan 0.000 0.469 252 G N 1.046 110.069 108.800 0.372 0.000 2.182 252 G HA2 -0.085 3.909 3.960 0.056 0.000 0.248 252 G HA3 -0.085 3.909 3.960 0.056 0.000 0.248 252 G C 0.358 175.502 174.900 0.406 0.000 1.042 252 G CA 0.556 45.899 45.100 0.405 0.000 0.775 252 G HN 2.018 nan 8.290 nan 0.000 0.501 253 S N -0.698 115.189 115.700 0.312 0.000 2.610 253 S HA 0.701 5.204 4.470 0.056 0.000 0.273 253 S C 1.673 176.166 174.600 -0.178 0.000 1.274 253 S CA 0.654 58.923 58.200 0.115 0.000 1.023 253 S CB 1.860 65.107 63.200 0.077 0.000 0.962 253 S HN 1.538 nan 8.310 nan 0.000 0.523 254 S N 0.468 115.796 115.700 -0.620 0.000 2.402 254 S HA -0.194 4.309 4.470 0.056 0.000 0.229 254 S C 1.597 176.100 174.600 -0.162 0.000 1.021 254 S CA 0.979 58.523 58.200 -1.094 0.000 0.974 254 S CB -0.747 61.846 63.200 -1.012 0.000 0.800 254 S HN 0.882 nan 8.310 nan 0.000 0.484 255 E N 1.522 121.708 120.200 -0.025 0.000 2.031 255 E HA -0.243 4.141 4.350 0.056 0.000 0.193 255 E C 1.310 177.902 176.600 -0.013 0.000 0.994 255 E CA 1.740 58.172 56.400 0.053 0.000 0.800 255 E CB -0.473 29.191 29.700 -0.060 0.000 0.752 255 E HN 0.480 nan 8.360 nan 0.000 0.447 256 D N -0.324 120.021 120.400 -0.092 0.000 2.117 256 D HA -0.152 4.521 4.640 0.056 0.000 0.198 256 D C 1.791 177.901 176.300 -0.316 0.000 0.982 256 D CA 1.012 54.855 54.000 -0.262 0.000 0.828 256 D CB -0.578 39.909 40.800 -0.522 0.000 0.967 256 D HN 0.322 nan 8.370 nan 0.000 0.464 257 Y N 1.664 121.830 120.300 -0.223 0.000 2.097 257 Y HA -0.273 4.312 4.550 0.058 0.000 0.282 257 Y C 2.312 178.258 175.900 0.077 0.000 1.152 257 Y CA 2.291 60.421 58.100 0.049 0.000 1.136 257 Y CB -0.343 38.282 38.460 0.275 0.000 0.975 257 Y HN -0.042 nan 8.280 nan 0.000 0.498 258 A N -0.467 122.370 122.820 0.029 0.000 1.948 258 A HA -0.310 4.043 4.320 0.056 0.000 0.220 258 A C 2.260 179.815 177.584 -0.049 0.000 1.177 258 A CA 2.109 54.097 52.037 -0.081 0.000 0.636 258 A CB -1.418 17.549 19.000 -0.056 0.000 0.815 258 A HN 0.808 nan 8.150 nan 0.000 0.449 259 H N 0.010 119.013 119.070 -0.112 0.000 2.395 259 H HA -0.093 4.496 4.556 0.056 0.000 0.299 259 H C 2.518 177.893 175.328 0.078 0.000 1.070 259 H CA 1.414 57.399 56.048 -0.105 0.000 1.356 259 H CB 0.205 29.779 29.762 -0.313 0.000 1.401 259 H HN 0.672 nan 8.280 nan 0.000 0.524 260 S N 1.265 117.037 115.700 0.120 0.000 2.383 260 S HA -0.155 4.349 4.470 0.056 0.000 0.229 260 S C 2.005 176.588 174.600 -0.028 0.000 1.030 260 S CA 1.347 59.631 58.200 0.141 0.000 1.002 260 S CB -0.840 62.479 63.200 0.199 0.000 0.829 260 S HN 0.615 nan 8.310 nan 0.000 0.467 261 I N -2.474 117.994 120.570 -0.169 0.000 3.735 261 I HA 0.563 4.767 4.170 0.056 0.000 0.310 261 I C 1.409 177.467 176.117 -0.098 0.000 1.270 261 I CA 0.215 61.421 61.300 -0.157 0.000 1.207 261 I CB -0.462 37.357 38.000 -0.301 0.000 1.013 261 I HN 0.431 nan 8.210 nan 0.000 0.452 262 G N 1.133 109.881 108.800 -0.086 0.000 2.184 262 G HA2 -0.195 3.799 3.960 0.056 0.000 0.206 262 G HA3 -0.195 3.799 3.960 0.056 0.000 0.206 262 G C 0.112 175.020 174.900 0.013 0.000 0.995 262 G CA -0.075 45.000 45.100 -0.042 0.000 0.651 262 G HN 0.223 nan 8.290 nan 0.000 0.511 263 V N 3.058 122.981 119.914 0.015 0.000 2.450 263 V HA 0.161 4.315 4.120 0.056 0.000 0.281 263 V C 0.389 176.561 176.094 0.130 0.000 1.019 263 V CA -0.209 62.116 62.300 0.042 0.000 1.062 263 V CB 1.083 32.916 31.823 0.016 0.000 0.979 263 V HN 0.257 nan 8.190 nan 0.000 0.477 264 P HA -0.145 nan 4.420 nan 0.000 0.215 264 P C 0.206 177.486 177.300 -0.034 0.000 1.157 264 P CA 1.316 64.482 63.100 0.110 0.000 0.874 264 P CB 0.461 32.257 31.700 0.161 0.000 0.790 265 L N -0.080 121.076 121.223 -0.111 0.000 2.372 265 L HA 0.375 4.748 4.340 0.056 0.000 0.274 265 L C -0.185 176.504 176.870 -0.300 0.000 0.988 265 L CA -0.521 54.144 54.840 -0.293 0.000 0.833 265 L CB 1.954 43.937 42.059 -0.127 0.000 1.236 265 L HN -0.043 nan 8.230 nan 0.000 0.410 266 S N 1.947 117.310 115.700 -0.562 0.000 2.619 266 S HA 0.774 5.277 4.470 0.056 0.000 0.280 266 S C -1.301 173.000 174.600 -0.498 0.000 1.150 266 S CA -0.684 57.336 58.200 -0.300 0.000 0.978 266 S CB 1.224 64.416 63.200 -0.013 0.000 1.041 266 S HN 0.365 nan 8.310 nan 0.000 0.485 267 Y N 0.344 120.549 120.300 -0.159 0.000 2.576 267 Y HA 0.726 5.309 4.550 0.055 0.000 0.346 267 Y C 0.416 176.217 175.900 -0.166 0.000 1.018 267 Y CA -1.006 57.005 58.100 -0.149 0.000 1.050 267 Y CB 2.097 40.472 38.460 -0.141 0.000 1.280 267 Y HN 0.707 nan 8.280 nan 0.000 0.474 268 T N 1.081 115.654 114.554 0.032 0.000 2.758 268 T HA 0.412 4.796 4.350 0.056 0.000 0.285 268 T C -1.540 173.197 174.700 0.062 0.000 0.981 268 T CA -0.318 61.784 62.100 0.004 0.000 0.965 268 T CB -0.096 68.689 68.868 -0.139 0.000 0.927 268 T HN 0.479 nan 8.240 nan 0.000 0.448 269 Y N 3.806 124.139 120.300 0.054 0.000 2.383 269 Y HA 0.311 4.894 4.550 0.056 0.000 0.344 269 Y C 0.852 176.842 175.900 0.149 0.000 0.986 269 Y CA -0.466 57.687 58.100 0.088 0.000 1.175 269 Y CB 0.854 39.354 38.460 0.067 0.000 1.152 269 Y HN 0.545 nan 8.280 nan 0.000 0.511 270 E N 6.368 126.705 120.200 0.227 0.000 1.998 270 E HA 0.156 4.540 4.350 0.056 0.000 0.257 270 E C -0.078 176.651 176.600 0.216 0.000 1.038 270 E CA -0.178 56.338 56.400 0.193 0.000 0.869 270 E CB 0.398 30.120 29.700 0.037 0.000 1.135 270 E HN 0.705 nan 8.360 nan 0.000 0.430 271 L N 3.001 124.404 121.223 0.301 0.000 2.473 271 L HA -0.004 4.370 4.340 0.056 0.000 0.280 271 L C -1.871 175.103 176.870 0.173 0.000 1.266 271 L CA -1.156 53.857 54.840 0.287 0.000 0.824 271 L CB -0.468 41.756 42.059 0.275 0.000 1.091 271 L HN 0.118 nan 8.230 nan 0.000 0.534 272 P HA 0.205 nan 4.420 nan 0.000 0.275 272 P C -0.641 176.686 177.300 0.045 0.000 1.228 272 P CA -0.196 62.923 63.100 0.032 0.000 0.786 272 P CB 0.915 32.614 31.700 -0.002 0.000 0.927 273 G N 1.290 110.086 108.800 -0.007 0.000 2.638 273 G HA2 0.500 4.494 3.960 0.056 0.000 0.302 273 G HA3 0.500 4.494 3.960 0.056 0.000 0.302 273 G C -0.459 174.334 174.900 -0.179 0.000 1.365 273 G CA -0.617 44.379 45.100 -0.173 0.000 0.987 273 G HN 0.415 nan 8.290 nan 0.000 0.495 274 L N 1.128 122.223 121.223 -0.213 0.000 2.872 274 L HA 0.378 4.752 4.340 0.056 0.000 0.245 274 L C 0.776 177.559 176.870 -0.145 0.000 1.211 274 L CA 0.080 54.816 54.840 -0.173 0.000 1.013 274 L CB 0.465 42.408 42.059 -0.193 0.000 1.326 274 L HN 0.463 nan 8.230 nan 0.000 0.525 275 S N -1.825 113.754 115.700 -0.202 0.000 2.570 275 S HA 0.162 4.665 4.470 0.056 0.000 0.270 275 S C 0.629 175.128 174.600 -0.168 0.000 1.149 275 S CA -0.359 57.743 58.200 -0.162 0.000 0.837 275 S CB 2.029 65.138 63.200 -0.153 0.000 1.124 275 S HN -0.021 nan 8.310 nan 0.000 0.465 276 S N 1.504 117.164 115.700 -0.068 0.000 2.537 276 S HA -0.045 4.459 4.470 0.056 0.000 0.240 276 S C 0.665 175.296 174.600 0.051 0.000 0.981 276 S CA 1.957 60.169 58.200 0.021 0.000 0.948 276 S CB -0.851 62.351 63.200 0.004 0.000 0.759 276 S HN 0.766 nan 8.310 nan 0.000 0.531 277 D N -0.938 119.415 120.400 -0.079 0.000 2.673 277 D HA -0.225 4.448 4.640 0.056 0.000 0.182 277 D C 1.166 177.298 176.300 -0.281 0.000 1.212 277 D CA 1.471 55.443 54.000 -0.047 0.000 1.088 277 D CB -1.633 39.130 40.800 -0.062 0.000 1.101 277 D HN 0.607 nan 8.370 nan 0.000 0.409 278 G N -0.585 107.737 108.800 -0.797 0.000 2.498 278 G HA2 -0.103 3.891 3.960 0.056 0.000 0.219 278 G HA3 -0.103 3.891 3.960 0.056 0.000 0.219 278 G C 1.190 175.342 174.900 -1.246 0.000 1.119 278 G CA 0.465 44.545 45.100 -1.700 0.000 0.766 278 G HN 0.327 nan 8.290 nan 0.000 0.552 279 F N -0.793 118.950 119.950 -0.344 0.000 2.789 279 F HA 0.257 4.822 4.527 0.064 0.000 0.300 279 F C 1.356 177.059 175.800 -0.162 0.000 1.132 279 F CA -0.063 57.914 58.000 -0.039 0.000 1.404 279 F CB 0.238 39.322 39.000 0.140 0.000 1.114 279 F HN 0.206 nan 8.300 nan 0.000 0.584 280 H N 1.125 120.133 119.070 -0.104 0.000 2.317 280 H HA 0.230 4.817 4.556 0.052 0.000 0.231 280 H C -0.375 174.991 175.328 0.064 0.000 1.442 280 H CA -0.746 55.224 56.048 -0.130 0.000 1.336 280 H CB 0.222 29.861 29.762 -0.205 0.000 1.533 280 H HN 0.051 nan 8.280 nan 0.000 0.522 281 L N 3.922 125.142 121.223 -0.006 0.000 2.578 281 L HA 0.131 4.505 4.340 0.056 0.000 0.279 281 L C -2.347 174.577 176.870 0.090 0.000 1.227 281 L CA -0.623 54.256 54.840 0.064 0.000 0.900 281 L CB 0.456 42.601 42.059 0.142 0.000 1.144 281 L HN 0.292 nan 8.230 nan 0.000 0.496 282 P HA 0.050 nan 4.420 nan 0.000 0.265 282 P C -2.107 175.222 177.300 0.049 0.000 1.193 282 P CA -0.752 62.441 63.100 0.155 0.000 0.765 282 P CB 0.243 32.092 31.700 0.248 0.000 0.823 283 P HA -0.292 nan 4.420 nan 0.000 0.218 283 P C 1.546 178.722 177.300 -0.207 0.000 1.152 283 P CA 1.607 64.564 63.100 -0.239 0.000 0.857 283 P CB -0.350 31.269 31.700 -0.136 0.000 0.787 284 Q N -1.167 118.491 119.800 -0.237 0.000 2.291 284 Q HA -0.187 4.187 4.340 0.056 0.000 0.206 284 Q C 1.382 177.194 176.000 -0.313 0.000 0.976 284 Q CA 1.751 57.362 55.803 -0.319 0.000 0.875 284 Q CB -1.317 27.155 28.738 -0.443 0.000 0.927 284 Q HN 0.403 nan 8.270 nan 0.000 0.450 285 Y N 0.357 120.606 120.300 -0.084 0.000 2.482 285 Y HA 0.188 4.771 4.550 0.054 0.000 0.270 285 Y C 2.130 177.976 175.900 -0.089 0.000 1.152 285 Y CA -0.347 57.709 58.100 -0.072 0.000 1.292 285 Y CB 0.040 38.475 38.460 -0.041 0.000 1.070 285 Y HN -0.057 nan 8.280 nan 0.000 0.528 286 I N 0.648 121.221 120.570 0.005 0.000 2.118 286 I HA -0.371 3.833 4.170 0.056 0.000 0.241 286 I C 2.554 178.624 176.117 -0.077 0.000 1.070 286 I CA 1.966 63.245 61.300 -0.036 0.000 1.327 286 I CB -0.246 37.659 38.000 -0.157 0.000 1.034 286 I HN 0.286 nan 8.210 nan 0.000 0.405 287 E N 0.398 120.515 120.200 -0.138 0.000 2.153 287 E HA -0.318 4.066 4.350 0.056 0.000 0.194 287 E C 2.123 178.485 176.600 -0.396 0.000 0.988 287 E CA 1.262 57.451 56.400 -0.351 0.000 0.811 287 E CB 0.039 29.565 29.700 -0.290 0.000 0.746 287 E HN 0.384 nan 8.360 nan 0.000 0.466 288 Q N 0.331 120.024 119.800 -0.179 0.000 2.046 288 Q HA -0.114 4.260 4.340 0.056 0.000 0.200 288 Q C 2.040 177.975 176.000 -0.108 0.000 0.975 288 Q CA 1.896 57.632 55.803 -0.112 0.000 0.836 288 Q CB -0.363 28.391 28.738 0.028 0.000 0.896 288 Q HN 0.210 nan 8.270 nan 0.000 0.428 289 V N -0.160 119.722 119.914 -0.053 0.000 2.490 289 V HA -0.294 3.860 4.120 0.056 0.000 0.250 289 V C 2.392 178.445 176.094 -0.069 0.000 1.061 289 V CA 1.632 63.928 62.300 -0.007 0.000 1.064 289 V CB -0.558 31.305 31.823 0.067 0.000 0.670 289 V HN 0.569 nan 8.190 nan 0.000 0.461 290 C N -0.287 118.881 119.300 -0.220 0.000 2.453 290 C HA -0.093 4.400 4.460 0.056 0.000 0.277 290 C C 2.841 177.551 174.990 -0.467 0.000 1.262 290 C CA 0.637 59.446 59.018 -0.349 0.000 1.718 290 C CB -1.088 26.269 27.740 -0.638 0.000 2.031 290 C HN 0.508 nan 8.230 nan 0.000 0.480 291 R N 1.383 121.487 120.500 -0.660 0.000 2.081 291 R HA -0.162 4.211 4.340 0.056 0.000 0.235 291 R C 2.246 178.566 176.300 0.033 0.000 1.131 291 R CA 1.847 57.775 56.100 -0.288 0.000 0.960 291 R CB -0.527 29.611 30.300 -0.270 0.000 0.856 291 R HN 0.782 nan 8.270 nan 0.000 0.436 292 E N 0.833 121.018 120.200 -0.024 0.000 2.072 292 E HA -0.143 4.241 4.350 0.056 0.000 0.190 292 E C 1.735 178.337 176.600 0.004 0.000 0.982 292 E CA 1.691 58.097 56.400 0.010 0.000 0.803 292 E CB -0.350 29.353 29.700 0.004 0.000 0.755 292 E HN 0.315 nan 8.360 nan 0.000 0.453 293 T N -1.238 113.323 114.554 0.011 0.000 2.788 293 T HA -0.221 4.163 4.350 0.056 0.000 0.268 293 T C 1.726 176.419 174.700 -0.012 0.000 1.044 293 T CA 0.977 63.053 62.100 -0.041 0.000 1.139 293 T CB -1.050 67.790 68.868 -0.046 0.000 0.867 293 T HN 0.533 nan 8.240 nan 0.000 0.454 294 W N 2.181 123.467 121.300 -0.024 0.000 2.350 294 W HA -0.125 4.569 4.660 0.055 0.000 0.289 294 W C 1.537 178.059 176.519 0.006 0.000 1.215 294 W CA 1.244 58.617 57.345 0.045 0.000 1.236 294 W CB -0.060 29.536 29.460 0.226 0.000 1.130 294 W HN 0.263 nan 8.180 nan 0.000 0.541 295 E N 0.067 120.185 120.200 -0.136 0.000 2.152 295 E HA -0.089 4.295 4.350 0.056 0.000 0.192 295 E C 2.394 178.828 176.600 -0.276 0.000 0.983 295 E CA 1.389 57.643 56.400 -0.244 0.000 0.818 295 E CB -0.946 28.711 29.700 -0.072 0.000 0.758 295 E HN 0.418 nan 8.360 nan 0.000 0.467 296 G N 1.103 109.772 108.800 -0.218 0.000 2.408 296 G HA2 -0.177 3.817 3.960 0.056 0.000 0.217 296 G HA3 -0.177 3.817 3.960 0.056 0.000 0.217 296 G C 1.751 176.521 174.900 -0.217 0.000 1.150 296 G CA 0.292 45.284 45.100 -0.181 0.000 0.776 296 G HN 0.175 nan 8.290 nan 0.000 0.542 297 I N 0.410 120.788 120.570 -0.320 0.000 2.179 297 I HA -0.163 4.041 4.170 0.056 0.000 0.242 297 I C 2.782 178.664 176.117 -0.391 0.000 1.088 297 I CA 0.483 61.587 61.300 -0.327 0.000 1.357 297 I CB -0.301 37.502 38.000 -0.328 0.000 1.051 297 I HN 0.019 nan 8.210 nan 0.000 0.409 298 V N 0.493 120.014 119.914 -0.655 0.000 2.231 298 V HA -0.296 3.857 4.120 0.056 0.000 0.248 298 V C 2.451 178.413 176.094 -0.219 0.000 1.054 298 V CA 1.915 63.917 62.300 -0.496 0.000 1.015 298 V CB -0.619 30.883 31.823 -0.535 0.000 0.638 298 V HN 0.235 nan 8.190 nan 0.000 0.444 299 V N 0.728 120.520 119.914 -0.204 0.000 2.287 299 V HA -0.235 3.918 4.120 0.056 0.000 0.248 299 V C 2.634 178.666 176.094 -0.104 0.000 1.053 299 V CA 2.366 64.593 62.300 -0.122 0.000 1.027 299 V CB -1.440 30.308 31.823 -0.125 0.000 0.646 299 V HN 0.647 nan 8.190 nan 0.000 0.447 300 G N -0.677 108.043 108.800 -0.135 0.000 2.446 300 G HA2 -0.254 3.740 3.960 0.056 0.000 0.217 300 G HA3 -0.254 3.740 3.960 0.056 0.000 0.217 300 G C 1.774 176.598 174.900 -0.126 0.000 1.168 300 G CA 1.219 46.248 45.100 -0.118 0.000 0.771 300 G HN 0.630 nan 8.290 nan 0.000 0.551 301 A N 0.943 123.660 122.820 -0.171 0.000 1.845 301 A HA -0.035 4.318 4.320 0.056 0.000 0.215 301 A C 2.444 179.953 177.584 -0.125 0.000 1.195 301 A CA 1.809 53.640 52.037 -0.342 0.000 0.616 301 A CB -0.508 18.327 19.000 -0.275 0.000 0.832 301 A HN 0.362 nan 8.150 nan 0.000 0.443 302 R N -0.906 119.647 120.500 0.088 0.000 2.094 302 R HA -0.154 4.220 4.340 0.056 0.000 0.239 302 R C 2.476 178.867 176.300 0.151 0.000 1.137 302 R CA 1.651 57.880 56.100 0.216 0.000 0.943 302 R CB -0.401 29.967 30.300 0.114 0.000 0.850 302 R HN 0.381 nan 8.270 nan 0.000 0.433 303 R N 0.371 120.905 120.500 0.056 0.000 2.073 303 R HA -0.077 4.296 4.340 0.056 0.000 0.234 303 R C 2.323 178.659 176.300 0.060 0.000 1.134 303 R CA 1.554 57.679 56.100 0.042 0.000 0.952 303 R CB -0.810 29.490 30.300 0.000 0.000 0.850 303 R HN 0.284 nan 8.270 nan 0.000 0.433 304 A N 0.758 123.592 122.820 0.022 0.000 1.883 304 A HA -0.111 4.242 4.320 0.056 0.000 0.217 304 A C 2.467 180.127 177.584 0.127 0.000 1.186 304 A CA 2.007 54.054 52.037 0.016 0.000 0.624 304 A CB -1.189 17.739 19.000 -0.120 0.000 0.822 304 A HN 0.453 nan 8.150 nan 0.000 0.444 305 G N -0.345 108.600 108.800 0.243 0.000 2.418 305 G HA2 -0.255 3.739 3.960 0.056 0.000 0.217 305 G HA3 -0.255 3.739 3.960 0.056 0.000 0.217 305 G C 1.151 176.219 174.900 0.279 0.000 1.158 305 G CA 1.272 46.648 45.100 0.461 0.000 0.771 305 G HN 0.460 nan 8.290 nan 0.000 0.545 306 D N 0.505 121.020 120.400 0.193 0.000 2.104 306 D HA -0.076 4.597 4.640 0.056 0.000 0.194 306 D C 2.651 179.018 176.300 0.111 0.000 0.994 306 D CA 0.594 54.667 54.000 0.121 0.000 0.830 306 D CB -0.330 40.520 40.800 0.085 0.000 0.959 306 D HN 0.301 nan 8.370 nan 0.000 0.452 307 L N -0.495 120.801 121.223 0.121 0.000 2.056 307 L HA -0.123 4.250 4.340 0.056 0.000 0.207 307 L C 2.336 179.295 176.870 0.148 0.000 1.078 307 L CA 0.576 55.480 54.840 0.106 0.000 0.749 307 L CB -0.339 41.774 42.059 0.090 0.000 0.901 307 L HN -0.034 nan 8.230 nan 0.000 0.433 308 F N 0.839 120.810 119.950 0.035 0.000 2.051 308 F HA -0.123 4.439 4.527 0.058 0.000 0.296 308 F C 1.765 177.584 175.800 0.032 0.000 1.122 308 F CA 1.713 59.734 58.000 0.035 0.000 1.201 308 F CB -0.352 38.679 39.000 0.052 0.000 0.978 308 F HN -0.079 nan 8.300 nan 0.000 0.472 309 R N 0.000 120.547 120.500 0.079 0.000 2.786 309 R HA 0.000 4.374 4.340 0.056 0.000 0.208 309 R CA 0.000 56.073 56.100 -0.045 0.000 0.921 309 R CB 0.000 nan 30.300 nan 0.000 0.687 309 R HN 0.000 nan 8.270 nan 0.000 0.535