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 3k7f_1_B DATA FIRST_RESID 33 DATA SEQUENCE GRQKARGAAT RARQKQRASL ETMDKAVQRF RLQNPDLDSE ALLTLPLLQL DATA SEQUENCE VQKLQSGELS PEAVFFTYLG KAWEVNKGTN CVTSYLTDCE TQLSQAPRQG DATA SEQUENCE LLYGVPVSLK ECFSYKGHDS TLGLSLNEGM PSESDCVVVQ VLKLQGAVPF DATA SEQUENCE VHTNVPQSMF SYDCSNPLFG QTMNPWKSSK SPGGSSGGEG ALIGSGGSPL DATA SEQUENCE GLGTDIGGSI RFPSAFCGIC GLKPTGNRLS KSGLKGCVYG QTAVQLSLGP DATA SEQUENCE MARDVESLAL CLKALLCEHL FTLDPTVPPL PFREEVYRSS RPLRVGYYET DATA SEQUENCE DNYTMPSPAM RRALIETKQR LEAAGHTLIP FLPNNIPYAL EVLSTGGLFS DATA SEQUENCE DGGRSFLQNF KGDFVDPCLG DLILILRLPS WFKRLLSLLL KPLFPRLAAF DATA SEQUENCE LNNMRPRSAE KLWKLQHEIE MYRQSVIAQW KAMNLDVLLT PMLGPALDLN DATA SEQUENCE TPGRATGAVS YTMLYNCLDF PAGVVPVTTV TAEDDAQMEL YKGYFGDIWD DATA SEQUENCE IILKKAMKNS VGLPVAVQCV ALPWQEELCL RFMREVEQLM TPQKQ 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 33 G HA2 0.000 nan 3.960 nan 0.000 0.244 33 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 33 G C 0.000 174.819 174.900 -0.135 0.000 0.946 33 G CA 0.000 45.055 45.100 -0.075 0.000 0.502 34 R N 0.721 121.133 120.500 -0.147 0.000 2.549 34 R HA 0.142 4.481 4.340 -0.000 0.000 0.344 34 R C 2.122 178.337 176.300 -0.143 0.000 0.979 34 R CA 0.406 56.342 56.100 -0.274 0.000 1.140 34 R CB 0.190 30.230 30.300 -0.434 0.000 1.377 34 R HN 0.644 nan 8.270 nan 0.000 0.541 35 Q N 0.834 120.595 119.800 -0.065 0.000 2.135 35 Q HA -0.197 4.142 4.340 -0.000 0.000 0.204 35 Q C 1.789 177.774 176.000 -0.024 0.000 0.981 35 Q CA 1.420 57.212 55.803 -0.019 0.000 0.856 35 Q CB -0.298 28.433 28.738 -0.011 0.000 0.902 35 Q HN 0.148 nan 8.270 nan 0.000 0.425 36 K N 1.534 121.902 120.400 -0.055 0.000 2.001 36 K HA -0.184 4.135 4.320 -0.000 0.000 0.214 36 K C 2.160 178.734 176.600 -0.042 0.000 1.050 36 K CA 1.674 57.931 56.287 -0.050 0.000 0.934 36 K CB -0.399 32.062 32.500 -0.065 0.000 0.718 36 K HN 0.209 nan 8.250 nan 0.000 0.443 37 A N 1.520 124.287 122.820 -0.088 0.000 1.972 37 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 37 A C 2.223 179.897 177.584 0.149 0.000 1.169 37 A CA 1.279 53.298 52.037 -0.030 0.000 0.635 37 A CB -0.444 18.414 19.000 -0.237 0.000 0.810 37 A HN 0.415 nan 8.150 nan 0.000 0.446 38 R N -0.957 119.648 120.500 0.175 0.000 2.075 38 R HA -0.099 4.240 4.340 -0.000 0.000 0.232 38 R C 2.428 178.777 176.300 0.081 0.000 1.126 38 R CA 1.150 57.370 56.100 0.199 0.000 0.963 38 R CB -0.617 29.789 30.300 0.177 0.000 0.858 38 R HN 0.534 nan 8.270 nan 0.000 0.435 39 G N 0.708 109.534 108.800 0.043 0.000 2.418 39 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.217 39 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.217 39 G C 1.553 176.456 174.900 0.004 0.000 1.158 39 G CA 0.823 45.934 45.100 0.017 0.000 0.771 39 G HN 0.409 nan 8.290 nan 0.000 0.545 40 A N 1.241 124.061 122.820 -0.000 0.000 1.883 40 A HA 0.197 4.516 4.320 -0.000 0.000 0.217 40 A C 2.829 180.378 177.584 -0.058 0.000 1.186 40 A CA 2.475 54.496 52.037 -0.026 0.000 0.624 40 A CB -0.858 18.124 19.000 -0.030 0.000 0.822 40 A HN 0.819 nan 8.150 nan 0.000 0.444 41 A N -1.176 121.621 122.820 -0.037 0.000 1.898 41 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 41 A C 2.304 179.840 177.584 -0.080 0.000 1.181 41 A CA 2.249 54.233 52.037 -0.089 0.000 0.620 41 A CB -1.296 17.678 19.000 -0.042 0.000 0.819 41 A HN 0.437 nan 8.150 nan 0.000 0.442 42 T N -0.098 114.438 114.554 -0.030 0.000 2.684 42 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 42 T C 2.055 176.747 174.700 -0.013 0.000 1.036 42 T CA 1.726 63.817 62.100 -0.015 0.000 1.148 42 T CB -0.262 68.607 68.868 0.003 0.000 0.863 42 T HN 0.523 nan 8.240 nan 0.000 0.436 43 R N 0.809 121.300 120.500 -0.016 0.000 2.092 43 R HA 0.077 4.417 4.340 -0.000 0.000 0.231 43 R C 2.822 179.122 176.300 -0.001 0.000 1.119 43 R CA 1.171 57.271 56.100 -0.000 0.000 0.970 43 R CB -0.424 29.878 30.300 0.002 0.000 0.864 43 R HN 0.367 nan 8.270 nan 0.000 0.440 44 A N 1.306 124.083 122.820 -0.072 0.000 1.873 44 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 44 A C 2.093 179.681 177.584 0.006 0.000 1.186 44 A CA 1.138 53.100 52.037 -0.126 0.000 0.616 44 A CB -0.329 18.334 19.000 -0.562 0.000 0.823 44 A HN 0.194 nan 8.150 nan 0.000 0.442 45 R N -1.060 119.417 120.500 -0.039 0.000 2.105 45 R HA -0.179 4.160 4.340 -0.000 0.000 0.239 45 R C 2.463 178.822 176.300 0.098 0.000 1.135 45 R CA 1.629 57.766 56.100 0.062 0.000 0.967 45 R CB -0.242 30.068 30.300 0.017 0.000 0.861 45 R HN 0.606 nan 8.270 nan 0.000 0.442 46 Q N 1.211 121.054 119.800 0.070 0.000 2.119 46 Q HA -0.127 4.213 4.340 -0.000 0.000 0.201 46 Q C 1.683 177.749 176.000 0.109 0.000 0.972 46 Q CA 1.688 57.538 55.803 0.078 0.000 0.847 46 Q CB 0.027 28.799 28.738 0.056 0.000 0.903 46 Q HN 0.131 nan 8.270 nan 0.000 0.433 47 K N -0.439 120.041 120.400 0.133 0.000 2.057 47 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 47 K C 2.125 178.846 176.600 0.201 0.000 1.050 47 K CA 1.348 57.733 56.287 0.163 0.000 0.935 47 K CB -0.053 32.557 32.500 0.183 0.000 0.715 47 K HN 0.364 nan 8.250 nan 0.000 0.439 48 Q N 0.680 120.635 119.800 0.257 0.000 2.079 48 Q HA -0.213 4.127 4.340 -0.000 0.000 0.200 48 Q C 2.161 178.261 176.000 0.167 0.000 0.974 48 Q CA 1.405 57.345 55.803 0.229 0.000 0.840 48 Q CB -0.021 28.907 28.738 0.317 0.000 0.898 48 Q HN 0.201 nan 8.270 nan 0.000 0.430 49 R N -0.269 120.322 120.500 0.151 0.000 2.081 49 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 49 R C 2.109 178.490 176.300 0.135 0.000 1.131 49 R CA 1.392 57.568 56.100 0.126 0.000 0.960 49 R CB -0.343 30.018 30.300 0.102 0.000 0.856 49 R HN 0.309 nan 8.270 nan 0.000 0.436 50 A N -0.121 122.778 122.820 0.131 0.000 1.930 50 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 50 A C 2.200 179.877 177.584 0.156 0.000 1.175 50 A CA 1.652 53.767 52.037 0.129 0.000 0.627 50 A CB -0.458 18.610 19.000 0.114 0.000 0.815 50 A HN 0.414 nan 8.150 nan 0.000 0.443 51 S N -0.226 115.582 115.700 0.181 0.000 2.356 51 S HA -0.089 4.381 4.470 -0.000 0.000 0.223 51 S C 1.827 176.542 174.600 0.190 0.000 1.032 51 S CA 1.469 59.806 58.200 0.228 0.000 1.005 51 S CB -0.419 62.921 63.200 0.234 0.000 0.867 51 S HN 0.529 nan 8.310 nan 0.000 0.449 52 L N 0.961 122.298 121.223 0.189 0.000 2.093 52 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 52 L C 2.622 179.651 176.870 0.266 0.000 1.085 52 L CA 1.292 56.292 54.840 0.266 0.000 0.755 52 L CB -0.495 41.720 42.059 0.260 0.000 0.904 52 L HN 0.263 nan 8.230 nan 0.000 0.435 53 E N 0.185 120.499 120.200 0.191 0.000 2.077 53 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 53 E C 2.015 178.628 176.600 0.023 0.000 0.989 53 E CA 1.914 58.383 56.400 0.114 0.000 0.800 53 E CB -0.191 29.573 29.700 0.107 0.000 0.746 53 E HN 0.258 nan 8.360 nan 0.000 0.452 54 T N 0.583 115.174 114.554 0.062 0.000 2.720 54 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 54 T C 1.855 176.508 174.700 -0.078 0.000 1.037 54 T CA 1.906 64.044 62.100 0.063 0.000 1.144 54 T CB -0.257 68.740 68.868 0.214 0.000 0.864 54 T HN 0.206 nan 8.240 nan 0.000 0.444 55 M N 0.918 120.382 119.600 -0.227 0.000 2.067 55 M HA -0.112 4.367 4.480 -0.000 0.000 0.260 55 M C 2.310 178.347 176.300 -0.437 0.000 1.069 55 M CA 1.710 56.752 55.300 -0.430 0.000 1.117 55 M CB -0.471 31.915 32.600 -0.357 0.000 1.334 55 M HN 0.114 nan 8.290 nan 0.000 0.407 56 D N 0.588 120.616 120.400 -0.619 0.000 2.116 56 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 56 D C 1.788 177.804 176.300 -0.474 0.000 0.998 56 D CA 1.637 55.078 54.000 -0.933 0.000 0.836 56 D CB 0.040 40.307 40.800 -0.888 0.000 0.951 56 D HN 0.227 nan 8.370 nan 0.000 0.449 57 K N -0.172 120.070 120.400 -0.264 0.000 2.032 57 K HA -0.083 4.237 4.320 -0.000 0.000 0.209 57 K C 2.229 178.747 176.600 -0.137 0.000 1.048 57 K CA 1.295 57.489 56.287 -0.155 0.000 0.927 57 K CB -0.242 32.217 32.500 -0.069 0.000 0.712 57 K HN 0.156 nan 8.250 nan 0.000 0.441 58 A N 0.886 123.644 122.820 -0.103 0.000 1.933 58 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 58 A C 2.358 179.860 177.584 -0.136 0.000 1.175 58 A CA 1.367 53.375 52.037 -0.048 0.000 0.628 58 A CB -0.584 18.518 19.000 0.169 0.000 0.814 58 A HN 0.081 nan 8.150 nan 0.000 0.444 59 V N -0.058 119.769 119.914 -0.143 0.000 2.307 59 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 59 V C 2.726 178.757 176.094 -0.106 0.000 1.045 59 V CA 1.981 64.211 62.300 -0.116 0.000 1.024 59 V CB -0.664 31.034 31.823 -0.209 0.000 0.651 59 V HN 0.539 nan 8.190 nan 0.000 0.449 60 Q N -0.396 119.301 119.800 -0.172 0.000 2.119 60 Q HA -0.147 4.193 4.340 -0.000 0.000 0.201 60 Q C 2.410 178.343 176.000 -0.112 0.000 0.972 60 Q CA 1.090 56.810 55.803 -0.138 0.000 0.847 60 Q CB -0.526 28.115 28.738 -0.161 0.000 0.903 60 Q HN 0.424 nan 8.270 nan 0.000 0.433 61 R N 0.348 120.773 120.500 -0.126 0.000 2.073 61 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 61 R C 2.095 178.303 176.300 -0.154 0.000 1.134 61 R CA 1.107 57.128 56.100 -0.131 0.000 0.952 61 R CB -0.799 29.421 30.300 -0.133 0.000 0.850 61 R HN 0.259 nan 8.270 nan 0.000 0.433 62 F N 1.559 121.302 119.950 -0.345 0.000 2.102 62 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 62 F C 2.414 178.104 175.800 -0.183 0.000 1.105 62 F CA 1.676 59.462 58.000 -0.356 0.000 1.239 62 F CB -0.150 38.526 39.000 -0.539 0.000 0.991 62 F HN -0.042 nan 8.300 nan 0.000 0.474 63 R N 0.260 120.742 120.500 -0.029 0.000 2.091 63 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 63 R C 2.264 178.457 176.300 -0.179 0.000 1.136 63 R CA 1.811 57.861 56.100 -0.084 0.000 0.959 63 R CB -0.756 29.542 30.300 -0.002 0.000 0.856 63 R HN 0.374 nan 8.270 nan 0.000 0.437 64 L N 0.725 121.852 121.223 -0.159 0.000 2.187 64 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 64 L C 2.129 178.888 176.870 -0.184 0.000 1.100 64 L CA 1.021 55.774 54.840 -0.144 0.000 0.765 64 L CB -0.271 41.720 42.059 -0.114 0.000 0.904 64 L HN 0.202 nan 8.230 nan 0.000 0.437 65 Q N -0.575 119.059 119.800 -0.277 0.000 2.424 65 Q HA 0.088 4.428 4.340 -0.000 0.000 0.204 65 Q C 0.284 176.078 176.000 -0.343 0.000 0.933 65 Q CA 0.579 56.206 55.803 -0.294 0.000 0.929 65 Q CB 0.198 28.745 28.738 -0.319 0.000 1.037 65 Q HN 0.548 nan 8.270 nan 0.000 0.511 66 N N 0.926 119.377 118.700 -0.414 0.000 2.672 66 N HA 0.135 4.874 4.740 -0.000 0.000 0.295 66 N C -2.146 173.253 175.510 -0.186 0.000 1.924 66 N CA -0.778 52.064 53.050 -0.347 0.000 0.851 66 N CB 1.458 39.595 38.487 -0.583 0.000 1.281 66 N HN 0.039 nan 8.380 nan 0.000 0.494 67 P HA -0.020 nan 4.420 nan 0.000 0.223 67 P C 0.319 177.588 177.300 -0.053 0.000 1.151 67 P CA 1.095 64.146 63.100 -0.082 0.000 0.787 67 P CB 0.519 32.175 31.700 -0.073 0.000 0.788 68 D N -0.622 119.746 120.400 -0.053 0.000 2.350 68 D HA 0.049 4.689 4.640 -0.000 0.000 0.213 68 D C 0.822 177.113 176.300 -0.015 0.000 1.031 68 D CA -0.120 53.862 54.000 -0.030 0.000 0.861 68 D CB -0.256 40.527 40.800 -0.029 0.000 0.926 68 D HN 0.138 nan 8.370 nan 0.000 0.520 69 L N 1.996 123.213 121.223 -0.009 0.000 2.513 69 L HA 0.033 4.372 4.340 -0.000 0.000 0.272 69 L C 0.094 176.976 176.870 0.020 0.000 1.187 69 L CA 0.051 54.905 54.840 0.025 0.000 0.895 69 L CB 0.520 42.625 42.059 0.077 0.000 1.147 69 L HN -0.249 nan 8.230 nan 0.000 0.483 70 D N 2.416 122.825 120.400 0.016 0.000 2.470 70 D HA 0.046 4.686 4.640 -0.000 0.000 0.226 70 D C 1.245 177.543 176.300 -0.004 0.000 1.196 70 D CA 0.658 54.660 54.000 0.003 0.000 0.979 70 D CB 0.595 41.395 40.800 0.001 0.000 1.059 70 D HN 0.728 nan 8.370 nan 0.000 0.515 71 S N 2.808 118.503 115.700 -0.008 0.000 2.383 71 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 71 S C 1.486 176.042 174.600 -0.073 0.000 1.026 71 S CA 0.508 58.686 58.200 -0.037 0.000 0.981 71 S CB -0.027 63.154 63.200 -0.030 0.000 0.818 71 S HN 0.323 nan 8.310 nan 0.000 0.472 72 E N 2.267 122.435 120.200 -0.053 0.000 2.077 72 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 72 E C 2.480 179.047 176.600 -0.054 0.000 0.989 72 E CA 1.317 57.681 56.400 -0.059 0.000 0.800 72 E CB -1.020 28.656 29.700 -0.039 0.000 0.746 72 E HN 0.682 nan 8.360 nan 0.000 0.452 73 A N 1.502 124.302 122.820 -0.035 0.000 1.877 73 A HA -0.146 4.173 4.320 -0.000 0.000 0.216 73 A C 2.340 179.907 177.584 -0.028 0.000 1.186 73 A CA 1.388 53.412 52.037 -0.021 0.000 0.620 73 A CB -0.795 18.200 19.000 -0.008 0.000 0.822 73 A HN 0.274 nan 8.150 nan 0.000 0.443 74 L N -0.577 120.621 121.223 -0.042 0.000 2.017 74 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 74 L C 2.364 179.176 176.870 -0.096 0.000 1.073 74 L CA 1.439 56.250 54.840 -0.049 0.000 0.745 74 L CB -0.234 41.792 42.059 -0.054 0.000 0.894 74 L HN 0.413 nan 8.230 nan 0.000 0.432 75 L N -0.513 120.592 121.223 -0.196 0.000 2.265 75 L HA -0.160 4.180 4.340 -0.000 0.000 0.215 75 L C 2.270 179.082 176.870 -0.097 0.000 1.117 75 L CA 1.583 56.239 54.840 -0.306 0.000 0.782 75 L CB -0.690 41.159 42.059 -0.350 0.000 0.914 75 L HN 0.497 nan 8.230 nan 0.000 0.441 76 T N -3.613 110.913 114.554 -0.046 0.000 3.086 76 T HA 0.208 4.558 4.350 -0.000 0.000 0.250 76 T C 0.666 175.381 174.700 0.025 0.000 1.074 76 T CA -0.312 61.787 62.100 -0.002 0.000 0.988 76 T CB -0.196 68.667 68.868 -0.009 0.000 0.988 76 T HN 0.014 nan 8.240 nan 0.000 0.530 77 L N 2.607 123.848 121.223 0.032 0.000 2.455 77 L HA 0.291 4.630 4.340 -0.000 0.000 0.272 77 L C -2.126 174.780 176.870 0.060 0.000 1.174 77 L CA -1.971 52.895 54.840 0.043 0.000 0.869 77 L CB 0.092 42.179 42.059 0.046 0.000 1.130 77 L HN 0.013 nan 8.230 nan 0.000 0.474 78 P HA -0.066 nan 4.420 nan 0.000 0.267 78 P C 0.495 177.822 177.300 0.045 0.000 1.200 78 P CA -0.385 62.745 63.100 0.050 0.000 0.772 78 P CB 0.633 32.358 31.700 0.042 0.000 0.855 79 L N 4.050 125.294 121.223 0.035 0.000 2.081 79 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 79 L C 1.857 178.734 176.870 0.013 0.000 1.080 79 L CA 1.826 56.675 54.840 0.014 0.000 0.754 79 L CB -1.429 40.622 42.059 -0.014 0.000 0.893 79 L HN 0.325 nan 8.230 nan 0.000 0.433 80 L N -0.589 120.646 121.223 0.020 0.000 2.012 80 L HA -0.267 4.072 4.340 -0.000 0.000 0.210 80 L C 2.500 179.387 176.870 0.028 0.000 1.073 80 L CA 1.962 56.816 54.840 0.023 0.000 0.748 80 L CB -0.573 41.507 42.059 0.034 0.000 0.891 80 L HN 0.466 nan 8.230 nan 0.000 0.431 81 Q N -1.293 118.527 119.800 0.032 0.000 2.123 81 Q HA -0.166 4.174 4.340 -0.000 0.000 0.199 81 Q C 2.218 178.240 176.000 0.036 0.000 0.966 81 Q CA 1.332 57.156 55.803 0.034 0.000 0.845 81 Q CB -0.281 28.478 28.738 0.034 0.000 0.907 81 Q HN 0.461 nan 8.270 nan 0.000 0.439 82 L N 0.365 121.611 121.223 0.038 0.000 2.012 82 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 82 L C 2.139 179.028 176.870 0.032 0.000 1.073 82 L CA 1.424 56.289 54.840 0.041 0.000 0.748 82 L CB -0.434 41.657 42.059 0.052 0.000 0.891 82 L HN -0.011 nan 8.230 nan 0.000 0.431 83 V N -0.378 119.550 119.914 0.023 0.000 2.343 83 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 83 V C 2.623 178.747 176.094 0.050 0.000 1.051 83 V CA 1.976 64.293 62.300 0.027 0.000 1.036 83 V CB -0.722 31.110 31.823 0.015 0.000 0.654 83 V HN 0.614 nan 8.190 nan 0.000 0.451 84 Q N 0.467 120.292 119.800 0.042 0.000 2.084 84 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 84 Q C 2.259 178.290 176.000 0.052 0.000 0.978 84 Q CA 1.823 57.653 55.803 0.044 0.000 0.844 84 Q CB -0.120 28.640 28.738 0.036 0.000 0.898 84 Q HN 0.625 nan 8.270 nan 0.000 0.426 85 K N -0.079 120.352 120.400 0.051 0.000 2.155 85 K HA -0.036 4.284 4.320 -0.000 0.000 0.203 85 K C 2.333 178.978 176.600 0.075 0.000 1.052 85 K CA 0.653 56.972 56.287 0.055 0.000 0.948 85 K CB 0.007 32.535 32.500 0.047 0.000 0.728 85 K HN 0.172 nan 8.250 nan 0.000 0.448 86 L N 0.831 122.104 121.223 0.084 0.000 2.056 86 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 86 L C 2.682 179.692 176.870 0.234 0.000 1.078 86 L CA 1.089 56.009 54.840 0.134 0.000 0.749 86 L CB -0.259 41.842 42.059 0.070 0.000 0.901 86 L HN 0.133 nan 8.230 nan 0.000 0.433 87 Q N 0.049 119.955 119.800 0.175 0.000 2.167 87 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 87 Q C 2.269 178.305 176.000 0.059 0.000 0.970 87 Q CA 1.968 57.844 55.803 0.121 0.000 0.855 87 Q CB -0.150 28.633 28.738 0.074 0.000 0.911 87 Q HN 0.529 nan 8.270 nan 0.000 0.438 88 S N -2.330 113.407 115.700 0.062 0.000 2.501 88 S HA 0.244 4.714 4.470 -0.000 0.000 0.220 88 S C 1.499 176.127 174.600 0.046 0.000 0.997 88 S CA 0.582 58.806 58.200 0.040 0.000 0.919 88 S CB 0.202 63.423 63.200 0.036 0.000 0.778 88 S HN 0.653 nan 8.310 nan 0.000 0.523 89 G N 1.323 110.169 108.800 0.076 0.000 2.194 89 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.236 89 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.236 89 G C 0.612 175.554 174.900 0.069 0.000 0.987 89 G CA 0.525 45.672 45.100 0.079 0.000 0.635 89 G HN 0.574 nan 8.290 nan 0.000 0.520 90 E N -0.303 119.932 120.200 0.060 0.000 2.110 90 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 90 E C 0.939 177.574 176.600 0.057 0.000 0.988 90 E CA 0.625 57.056 56.400 0.051 0.000 0.804 90 E CB -0.063 29.662 29.700 0.043 0.000 0.745 90 E HN 0.575 nan 8.360 nan 0.000 0.458 91 L N 1.422 122.685 121.223 0.065 0.000 2.329 91 L HA 0.260 4.600 4.340 -0.000 0.000 0.279 91 L C 0.030 176.948 176.870 0.079 0.000 1.014 91 L CA -0.949 53.932 54.840 0.068 0.000 0.814 91 L CB 1.848 43.941 42.059 0.056 0.000 1.257 91 L HN 0.049 nan 8.230 nan 0.000 0.424 92 S N 1.635 117.388 115.700 0.089 0.000 2.601 92 S HA 0.343 4.812 4.470 -0.000 0.000 0.271 92 S C -2.034 172.591 174.600 0.041 0.000 1.305 92 S CA -1.140 57.116 58.200 0.092 0.000 1.022 92 S CB 1.306 64.580 63.200 0.123 0.000 0.940 92 S HN 0.395 nan 8.310 nan 0.000 0.525 93 P HA -0.050 nan 4.420 nan 0.000 0.217 93 P C 0.997 178.252 177.300 -0.074 0.000 1.150 93 P CA 1.084 64.099 63.100 -0.141 0.000 0.832 93 P CB 0.019 31.560 31.700 -0.266 0.000 0.787 94 E N -0.087 120.128 120.200 0.025 0.000 2.085 94 E HA -0.153 4.196 4.350 -0.000 0.000 0.194 94 E C 2.170 178.811 176.600 0.069 0.000 0.994 94 E CA 1.650 58.125 56.400 0.126 0.000 0.801 94 E CB -1.230 28.693 29.700 0.371 0.000 0.743 94 E HN 0.144 nan 8.360 nan 0.000 0.453 95 A N 0.428 123.345 122.820 0.162 0.000 1.877 95 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 95 A C 2.497 180.057 177.584 -0.040 0.000 1.186 95 A CA 1.567 53.704 52.037 0.166 0.000 0.620 95 A CB -0.789 18.362 19.000 0.252 0.000 0.822 95 A HN 0.152 nan 8.150 nan 0.000 0.443 96 V N -1.232 118.670 119.914 -0.019 0.000 2.295 96 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 96 V C 2.275 178.317 176.094 -0.087 0.000 1.049 96 V CA 2.118 64.407 62.300 -0.018 0.000 1.024 96 V CB -0.969 30.854 31.823 0.000 0.000 0.648 96 V HN 0.637 nan 8.190 nan 0.000 0.447 97 F N 0.409 120.148 119.950 -0.351 0.000 2.075 97 F HA -0.209 4.317 4.527 -0.001 0.000 0.297 97 F C 2.060 177.500 175.800 -0.601 0.000 1.113 97 F CA 1.945 59.616 58.000 -0.548 0.000 1.218 97 F CB -0.314 38.246 39.000 -0.734 0.000 0.984 97 F HN 0.132 nan 8.300 nan 0.000 0.472 98 F N 0.285 119.945 119.950 -0.483 0.000 2.325 98 F HA -0.094 4.433 4.527 -0.000 0.000 0.299 98 F C 2.486 177.955 175.800 -0.551 0.000 1.090 98 F CA 1.458 59.050 58.000 -0.680 0.000 1.392 98 F CB -1.361 36.976 39.000 -1.104 0.000 1.053 98 F HN -0.087 nan 8.300 nan 0.000 0.521 99 T N -1.472 112.891 114.554 -0.319 0.000 2.812 99 T HA -0.176 4.174 4.350 -0.000 0.000 0.264 99 T C 1.674 176.195 174.700 -0.298 0.000 1.042 99 T CA 1.225 63.191 62.100 -0.222 0.000 1.140 99 T CB -0.453 68.305 68.868 -0.182 0.000 0.870 99 T HN 0.154 nan 8.240 nan 0.000 0.445 100 Y N 0.725 120.813 120.300 -0.353 0.000 2.263 100 Y HA 0.061 4.611 4.550 -0.000 0.000 0.292 100 Y C 2.098 177.767 175.900 -0.385 0.000 1.130 100 Y CA 0.286 58.164 58.100 -0.370 0.000 1.179 100 Y CB -0.419 37.732 38.460 -0.515 0.000 0.998 100 Y HN 0.077 nan 8.280 nan 0.000 0.532 101 L N -0.256 120.700 121.223 -0.445 0.000 2.042 101 L HA -0.134 4.205 4.340 -0.000 0.000 0.210 101 L C 2.439 179.259 176.870 -0.082 0.000 1.076 101 L CA 2.247 56.883 54.840 -0.341 0.000 0.749 101 L CB -1.223 40.493 42.059 -0.572 0.000 0.893 101 L HN 0.220 nan 8.230 nan 0.000 0.432 102 G N -1.172 107.573 108.800 -0.091 0.000 2.421 102 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.216 102 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.216 102 G C 1.691 176.647 174.900 0.094 0.000 1.171 102 G CA 0.953 46.059 45.100 0.010 0.000 0.775 102 G HN 0.328 nan 8.290 nan 0.000 0.543 103 K N 1.159 121.563 120.400 0.007 0.000 2.057 103 K HA 0.136 4.456 4.320 -0.000 0.000 0.207 103 K C 2.686 179.339 176.600 0.087 0.000 1.049 103 K CA 1.536 57.833 56.287 0.016 0.000 0.931 103 K CB -0.713 31.735 32.500 -0.086 0.000 0.714 103 K HN 0.176 nan 8.250 nan 0.000 0.440 104 A N -0.273 122.632 122.820 0.141 0.000 1.883 104 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 104 A C 2.181 179.855 177.584 0.150 0.000 1.186 104 A CA 1.666 53.809 52.037 0.177 0.000 0.624 104 A CB -1.258 17.930 19.000 0.313 0.000 0.822 104 A HN 0.665 nan 8.150 nan 0.000 0.444 105 W N 0.879 122.169 121.300 -0.017 0.000 2.338 105 W HA -0.181 4.479 4.660 -0.001 0.000 0.304 105 W C 2.039 178.541 176.519 -0.028 0.000 1.212 105 W CA 2.073 59.397 57.345 -0.035 0.000 1.264 105 W CB -0.143 29.284 29.460 -0.056 0.000 1.142 105 W HN 0.498 nan 8.180 nan 0.000 0.512 106 E N -0.324 119.953 120.200 0.128 0.000 2.047 106 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 106 E C 2.212 178.726 176.600 -0.143 0.000 0.987 106 E CA 2.364 58.730 56.400 -0.056 0.000 0.799 106 E CB -0.698 29.045 29.700 0.072 0.000 0.752 106 E HN 0.301 nan 8.360 nan 0.000 0.449 107 V N 0.084 119.955 119.914 -0.071 0.000 2.667 107 V HA -0.173 3.947 4.120 -0.000 0.000 0.252 107 V C 1.878 177.908 176.094 -0.106 0.000 1.065 107 V CA 1.971 64.223 62.300 -0.079 0.000 1.083 107 V CB -0.674 31.125 31.823 -0.041 0.000 0.692 107 V HN 0.144 nan 8.190 nan 0.000 0.468 108 N N 1.214 119.836 118.700 -0.130 0.000 2.205 108 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 108 N C 1.741 177.134 175.510 -0.194 0.000 1.015 108 N CA 1.815 54.775 53.050 -0.149 0.000 0.862 108 N CB -0.411 37.983 38.487 -0.156 0.000 0.986 108 N HN 0.604 nan 8.380 nan 0.000 0.429 109 K N -1.145 119.086 120.400 -0.282 0.000 2.074 109 K HA -0.082 4.238 4.320 -0.000 0.000 0.209 109 K C 1.741 178.246 176.600 -0.158 0.000 1.048 109 K CA 1.421 57.546 56.287 -0.269 0.000 0.926 109 K CB -0.305 31.997 32.500 -0.330 0.000 0.713 109 K HN 0.326 nan 8.250 nan 0.000 0.444 110 G N -0.220 108.504 108.800 -0.126 0.000 2.986 110 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.213 110 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.213 110 G C 1.233 176.099 174.900 -0.057 0.000 1.156 110 G CA 0.689 45.738 45.100 -0.084 0.000 0.763 110 G HN 0.392 nan 8.290 nan 0.000 0.547 111 T N -3.184 111.335 114.554 -0.059 0.000 2.964 111 T HA 0.118 4.468 4.350 -0.000 0.000 0.249 111 T C 0.955 175.642 174.700 -0.022 0.000 1.000 111 T CA 0.454 62.537 62.100 -0.028 0.000 0.992 111 T CB -0.048 68.808 68.868 -0.020 0.000 1.087 111 T HN 0.167 nan 8.240 nan 0.000 0.489 112 N N 0.849 119.523 118.700 -0.042 0.000 2.696 112 N HA -0.197 4.542 4.740 -0.000 0.000 0.256 112 N C 0.678 176.175 175.510 -0.022 0.000 1.031 112 N CA 0.657 53.690 53.050 -0.028 0.000 0.730 112 N CB -1.792 36.693 38.487 -0.002 0.000 0.894 112 N HN 0.809 nan 8.380 nan 0.000 0.544 113 C N -3.081 116.196 119.300 -0.038 0.000 2.791 113 C HA 0.494 4.953 4.460 -0.000 0.000 0.288 113 C C 0.961 175.904 174.990 -0.078 0.000 1.271 113 C CA -0.382 58.612 59.018 -0.039 0.000 1.726 113 C CB -0.693 27.033 27.740 -0.023 0.000 2.145 113 C HN 0.237 nan 8.230 nan 0.000 0.572 114 V N 3.159 123.019 119.914 -0.090 0.000 2.383 114 V HA 0.370 4.490 4.120 -0.000 0.000 0.275 114 V C 1.505 177.495 176.094 -0.173 0.000 1.036 114 V CA 1.004 63.233 62.300 -0.118 0.000 0.889 114 V CB 1.242 33.020 31.823 -0.075 0.000 0.985 114 V HN 0.664 nan 8.190 nan 0.000 0.459 115 T N 0.186 114.570 114.554 -0.284 0.000 3.023 115 T HA 0.178 4.528 4.350 -0.000 0.000 0.249 115 T C 0.703 175.234 174.700 -0.283 0.000 1.050 115 T CA 0.455 62.214 62.100 -0.568 0.000 1.088 115 T CB 0.451 68.613 68.868 -1.177 0.000 0.946 115 T HN 0.565 nan 8.240 nan 0.000 0.480 116 S N -0.335 115.298 115.700 -0.110 0.000 2.533 116 S HA 0.470 4.940 4.470 -0.000 0.000 0.271 116 S C -2.003 172.616 174.600 0.030 0.000 1.143 116 S CA -0.986 57.235 58.200 0.036 0.000 0.891 116 S CB 1.305 64.581 63.200 0.126 0.000 1.105 116 S HN 0.445 nan 8.310 nan 0.000 0.468 117 Y N 5.410 125.698 120.300 -0.021 0.000 2.350 117 Y HA 0.514 5.063 4.550 -0.001 0.000 0.340 117 Y C -0.233 175.604 175.900 -0.104 0.000 1.006 117 Y CA -0.868 57.205 58.100 -0.045 0.000 1.166 117 Y CB 0.532 39.034 38.460 0.070 0.000 1.168 117 Y HN 0.590 nan 8.280 nan 0.000 0.502 118 L N 8.057 128.927 121.223 -0.589 0.000 2.505 118 L HA 0.014 4.353 4.340 -0.000 0.000 0.279 118 L C 1.206 177.678 176.870 -0.663 0.000 1.211 118 L CA -0.063 54.225 54.840 -0.921 0.000 1.059 118 L CB -0.167 41.136 42.059 -1.261 0.000 1.340 118 L HN 0.873 nan 8.230 nan 0.000 0.447 119 T N -0.830 113.527 114.554 -0.328 0.000 2.720 119 T HA -0.197 4.152 4.350 -0.000 0.000 0.268 119 T C 1.410 175.981 174.700 -0.214 0.000 1.037 119 T CA 1.545 63.423 62.100 -0.370 0.000 1.144 119 T CB -0.216 68.630 68.868 -0.036 0.000 0.864 119 T HN 0.719 nan 8.240 nan 0.000 0.444 120 D N 1.797 122.172 120.400 -0.042 0.000 2.371 120 D HA -0.059 4.581 4.640 -0.000 0.000 0.234 120 D C 2.017 178.289 176.300 -0.046 0.000 1.049 120 D CA 0.526 54.525 54.000 -0.001 0.000 0.907 120 D CB -1.181 39.662 40.800 0.071 0.000 0.891 120 D HN 0.667 nan 8.370 nan 0.000 0.531 121 C N -0.841 118.379 119.300 -0.133 0.000 2.448 121 C HA 0.115 4.575 4.460 -0.000 0.000 0.280 121 C C 2.174 176.984 174.990 -0.300 0.000 1.398 121 C CA -0.109 58.821 59.018 -0.147 0.000 1.774 121 C CB -0.799 26.878 27.740 -0.105 0.000 1.888 121 C HN 0.215 nan 8.230 nan 0.000 0.519 122 E N 1.433 121.476 120.200 -0.262 0.000 2.150 122 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 122 E C 2.417 178.897 176.600 -0.200 0.000 0.985 122 E CA 1.771 57.977 56.400 -0.323 0.000 0.814 122 E CB -0.319 29.359 29.700 -0.036 0.000 0.752 122 E HN 0.842 nan 8.360 nan 0.000 0.466 123 T N 0.094 114.582 114.554 -0.110 0.000 2.857 123 T HA -0.210 4.140 4.350 -0.000 0.000 0.266 123 T C 2.059 176.704 174.700 -0.091 0.000 1.048 123 T CA 1.452 63.508 62.100 -0.072 0.000 1.139 123 T CB 0.012 68.861 68.868 -0.031 0.000 0.874 123 T HN -0.001 nan 8.240 nan 0.000 0.455 124 Q N 0.607 120.343 119.800 -0.106 0.000 2.096 124 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 124 Q C 2.150 178.064 176.000 -0.144 0.000 0.982 124 Q CA 1.745 57.489 55.803 -0.099 0.000 0.850 124 Q CB -1.097 27.598 28.738 -0.071 0.000 0.901 124 Q HN 0.542 nan 8.270 nan 0.000 0.422 125 L N 0.467 121.537 121.223 -0.256 0.000 1.997 125 L HA -0.217 4.123 4.340 -0.000 0.000 0.216 125 L C 2.205 178.975 176.870 -0.166 0.000 1.074 125 L CA 2.682 57.332 54.840 -0.317 0.000 0.763 125 L CB -1.100 40.626 42.059 -0.555 0.000 0.890 125 L HN 0.503 nan 8.230 nan 0.000 0.434 126 S N -2.286 113.348 115.700 -0.110 0.000 2.561 126 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 126 S C 1.508 176.108 174.600 -0.001 0.000 0.977 126 S CA 0.616 58.797 58.200 -0.033 0.000 0.926 126 S CB -0.272 62.917 63.200 -0.017 0.000 0.769 126 S HN 0.715 nan 8.310 nan 0.000 0.533 127 Q N 0.553 120.344 119.800 -0.015 0.000 2.171 127 Q HA 0.477 4.817 4.340 -0.000 0.000 0.218 127 Q C 0.179 176.194 176.000 0.024 0.000 0.822 127 Q CA -0.127 55.678 55.803 0.003 0.000 0.987 127 Q CB 0.871 29.600 28.738 -0.016 0.000 1.144 127 Q HN 0.617 nan 8.270 nan 0.000 0.494 128 A N 2.814 125.663 122.820 0.049 0.000 2.548 128 A HA 0.218 4.538 4.320 -0.000 0.000 0.247 128 A C -2.243 175.446 177.584 0.176 0.000 1.067 128 A CA -0.879 51.216 52.037 0.095 0.000 0.757 128 A CB -0.257 18.782 19.000 0.065 0.000 0.996 128 A HN -0.019 nan 8.150 nan 0.000 0.504 129 P HA 0.101 nan 4.420 nan 0.000 0.263 129 P C 0.702 178.008 177.300 0.010 0.000 1.195 129 P CA -0.025 63.098 63.100 0.039 0.000 0.762 129 P CB 0.624 32.334 31.700 0.017 0.000 0.799 130 R N 3.278 123.679 120.500 -0.165 0.000 2.115 130 R HA -0.108 4.232 4.340 -0.000 0.000 0.226 130 R C 1.307 177.342 176.300 -0.442 0.000 1.100 130 R CA 1.855 57.623 56.100 -0.554 0.000 0.980 130 R CB -0.489 29.563 30.300 -0.412 0.000 0.875 130 R HN 0.377 nan 8.270 nan 0.000 0.445 131 Q N -0.656 119.033 119.800 -0.184 0.000 2.360 131 Q HA 0.294 4.634 4.340 -0.000 0.000 0.202 131 Q C 0.195 176.179 176.000 -0.027 0.000 0.915 131 Q CA 0.555 56.298 55.803 -0.100 0.000 0.943 131 Q CB 0.653 29.355 28.738 -0.060 0.000 1.064 131 Q HN 0.340 nan 8.270 nan 0.000 0.511 132 G N 0.140 108.948 108.800 0.012 0.000 2.414 132 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.236 132 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.236 132 G C 0.485 175.424 174.900 0.066 0.000 1.293 132 G CA -0.358 44.777 45.100 0.058 0.000 0.869 132 G HN 0.329 nan 8.290 nan 0.000 0.556 133 L N 1.213 122.458 121.223 0.036 0.000 2.450 133 L HA 0.023 4.362 4.340 -0.000 0.000 0.224 133 L C 1.626 178.506 176.870 0.018 0.000 1.149 133 L CA 0.786 55.636 54.840 0.017 0.000 0.816 133 L CB -0.194 41.857 42.059 -0.014 0.000 0.932 133 L HN 0.449 nan 8.230 nan 0.000 0.449 134 L N -1.530 119.710 121.223 0.028 0.000 3.202 134 L HA 0.151 4.491 4.340 -0.000 0.000 0.278 134 L C 0.057 176.941 176.870 0.023 0.000 1.268 134 L CA -0.650 54.191 54.840 0.002 0.000 1.034 134 L CB 0.039 42.077 42.059 -0.035 0.000 1.407 134 L HN 0.052 nan 8.230 nan 0.000 0.581 135 Y N 1.480 121.757 120.300 -0.038 0.000 2.802 135 Y HA 0.141 4.690 4.550 -0.001 0.000 0.333 135 Y C 1.466 177.344 175.900 -0.037 0.000 1.244 135 Y CA 1.254 59.333 58.100 -0.036 0.000 1.558 135 Y CB 0.430 38.874 38.460 -0.025 0.000 1.233 135 Y HN 0.384 nan 8.280 nan 0.000 0.547 136 G N 3.560 111.964 108.800 -0.659 0.000 2.179 136 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 136 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 136 G C -0.348 174.376 174.900 -0.292 0.000 0.977 136 G CA 0.081 44.818 45.100 -0.605 0.000 0.641 136 G HN 0.748 nan 8.290 nan 0.000 0.533 137 V N 2.429 122.219 119.914 -0.206 0.000 2.427 137 V HA 0.380 4.500 4.120 -0.000 0.000 0.268 137 V C -1.569 174.429 176.094 -0.160 0.000 1.046 137 V CA -1.307 60.891 62.300 -0.170 0.000 0.970 137 V CB 1.278 33.024 31.823 -0.130 0.000 1.001 137 V HN 0.124 nan 8.190 nan 0.000 0.476 138 P HA 0.243 nan 4.420 nan 0.000 0.271 138 P C -0.783 176.490 177.300 -0.045 0.000 1.220 138 P CA 0.038 63.008 63.100 -0.218 0.000 0.768 138 P CB 0.824 32.085 31.700 -0.731 0.000 0.848 139 V N 3.093 123.131 119.914 0.208 0.000 2.588 139 V HA 0.374 4.494 4.120 -0.000 0.000 0.304 139 V C 0.109 176.247 176.094 0.074 0.000 1.042 139 V CA -0.538 61.822 62.300 0.100 0.000 0.877 139 V CB 2.043 33.849 31.823 -0.028 0.000 0.996 139 V HN 0.589 nan 8.190 nan 0.000 0.425 140 S N 5.580 121.238 115.700 -0.070 0.000 2.585 140 S HA 0.830 5.300 4.470 -0.000 0.000 0.277 140 S C -0.750 173.718 174.600 -0.220 0.000 1.241 140 S CA -0.720 57.297 58.200 -0.304 0.000 1.041 140 S CB 1.309 64.334 63.200 -0.292 0.000 0.987 140 S HN 0.515 nan 8.310 nan 0.000 0.512 141 L N 1.771 122.875 121.223 -0.198 0.000 2.356 141 L HA 0.505 4.845 4.340 -0.000 0.000 0.277 141 L C 0.159 177.104 176.870 0.125 0.000 0.996 141 L CA -0.871 53.929 54.840 -0.067 0.000 0.822 141 L CB 1.895 43.968 42.059 0.023 0.000 1.256 141 L HN 0.751 nan 8.230 nan 0.000 0.413 142 K N 2.198 122.718 120.400 0.201 0.000 2.527 142 K HA -0.084 4.236 4.320 -0.000 0.000 0.278 142 K C 1.087 177.796 176.600 0.181 0.000 0.981 142 K CA 0.216 56.640 56.287 0.229 0.000 1.009 142 K CB 0.669 33.367 32.500 0.330 0.000 0.895 142 K HN 0.642 nan 8.250 nan 0.000 0.493 143 E N 2.435 122.586 120.200 -0.080 0.000 2.267 143 E HA -0.223 4.126 4.350 -0.000 0.000 0.197 143 E C 1.430 177.778 176.600 -0.420 0.000 0.998 143 E CA 1.541 57.658 56.400 -0.472 0.000 0.830 143 E CB -0.087 29.434 29.700 -0.299 0.000 0.751 143 E HN 0.798 nan 8.360 nan 0.000 0.491 144 C N -0.595 118.597 119.300 -0.180 0.000 2.522 144 C HA 0.144 4.604 4.460 -0.000 0.000 0.271 144 C C 1.038 175.898 174.990 -0.216 0.000 1.425 144 C CA -0.797 58.099 59.018 -0.204 0.000 1.751 144 C CB -1.697 25.893 27.740 -0.250 0.000 1.775 144 C HN 0.027 nan 8.230 nan 0.000 0.557 145 F N 3.453 123.416 119.950 0.022 0.000 2.494 145 F HA 0.261 4.787 4.527 -0.001 0.000 0.351 145 F C 1.064 177.014 175.800 0.249 0.000 1.205 145 F CA 0.142 58.219 58.000 0.129 0.000 1.125 145 F CB -0.161 38.924 39.000 0.141 0.000 1.268 145 F HN 0.076 nan 8.300 nan 0.000 0.593 146 S N 3.408 119.265 115.700 0.262 0.000 2.563 146 S HA -0.034 4.436 4.470 -0.000 0.000 0.294 146 S C -0.742 174.050 174.600 0.319 0.000 1.279 146 S CA 0.144 58.500 58.200 0.259 0.000 1.069 146 S CB 0.030 63.315 63.200 0.142 0.000 0.828 146 S HN 0.519 nan 8.310 nan 0.000 0.497 147 Y N 2.261 122.687 120.300 0.210 0.000 2.346 147 Y HA 0.324 4.874 4.550 -0.001 0.000 0.332 147 Y C -0.050 175.936 175.900 0.144 0.000 0.985 147 Y CA -0.945 57.216 58.100 0.102 0.000 1.112 147 Y CB 0.981 39.382 38.460 -0.099 0.000 1.170 147 Y HN 0.602 nan 8.280 nan 0.000 0.447 148 K N 3.791 124.125 120.400 -0.110 0.000 2.491 148 K HA 0.255 4.575 4.320 -0.000 0.000 0.279 148 K C 0.981 177.707 176.600 0.209 0.000 1.026 148 K CA 1.725 58.021 56.287 0.015 0.000 1.070 148 K CB -0.208 32.227 32.500 -0.109 0.000 0.887 148 K HN 1.110 nan 8.250 nan 0.000 0.481 149 G N 3.097 111.986 108.800 0.148 0.000 2.195 149 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.246 149 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.246 149 G C -0.253 174.606 174.900 -0.068 0.000 0.984 149 G CA -0.110 45.022 45.100 0.054 0.000 0.633 149 G HN 0.769 nan 8.290 nan 0.000 0.525 150 H N 0.774 119.946 119.070 0.171 0.000 2.524 150 H HA 0.397 4.953 4.556 -0.000 0.000 0.353 150 H C -0.702 174.742 175.328 0.194 0.000 1.136 150 H CA -0.815 55.347 56.048 0.189 0.000 1.193 150 H CB 1.598 31.492 29.762 0.221 0.000 1.558 150 H HN 0.154 nan 8.280 nan 0.000 0.515 151 D N 0.830 121.384 120.400 0.256 0.000 2.400 151 D HA 0.039 4.679 4.640 -0.000 0.000 0.238 151 D C -0.137 176.282 176.300 0.199 0.000 1.157 151 D CA 0.383 54.501 54.000 0.197 0.000 0.889 151 D CB 0.764 41.670 40.800 0.177 0.000 1.199 151 D HN 0.282 nan 8.370 nan 0.000 0.436 152 S N 0.028 115.797 115.700 0.115 0.000 2.426 152 S HA 0.126 4.596 4.470 -0.000 0.000 0.236 152 S C 1.350 175.973 174.600 0.038 0.000 1.368 152 S CA -0.608 57.604 58.200 0.020 0.000 1.154 152 S CB 0.623 63.822 63.200 -0.002 0.000 1.037 152 S HN 0.523 nan 8.310 nan 0.000 0.481 153 T N 0.237 114.841 114.554 0.083 0.000 2.904 153 T HA 0.028 4.378 4.350 -0.000 0.000 0.267 153 T C 1.068 175.791 174.700 0.040 0.000 1.059 153 T CA 0.361 62.511 62.100 0.083 0.000 1.137 153 T CB -0.711 68.247 68.868 0.151 0.000 0.879 153 T HN 0.597 nan 8.240 nan 0.000 0.467 154 L N 0.497 121.747 121.223 0.044 0.000 4.001 154 L HA -0.219 4.121 4.340 -0.000 0.000 0.413 154 L C 1.369 178.270 176.870 0.051 0.000 1.185 154 L CA 0.327 55.185 54.840 0.030 0.000 0.963 154 L CB -2.668 39.386 42.059 -0.009 0.000 1.976 154 L HN 0.700 nan 8.230 nan 0.000 0.939 155 G N -0.522 108.340 108.800 0.104 0.000 2.155 155 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 155 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 155 G C 0.055 174.943 174.900 -0.019 0.000 0.983 155 G CA 0.565 45.711 45.100 0.078 0.000 0.676 155 G HN 0.358 nan 8.290 nan 0.000 0.528 156 L N 0.577 121.762 121.223 -0.062 0.000 2.296 156 L HA 0.457 4.797 4.340 -0.000 0.000 0.286 156 L C 1.767 178.579 176.870 -0.097 0.000 1.023 156 L CA -0.447 54.309 54.840 -0.140 0.000 0.812 156 L CB 1.681 43.602 42.059 -0.230 0.000 1.223 156 L HN 0.063 nan 8.230 nan 0.000 0.421 157 S N 2.677 118.323 115.700 -0.089 0.000 2.387 157 S HA -0.205 4.265 4.470 -0.000 0.000 0.230 157 S C 1.704 176.267 174.600 -0.063 0.000 1.035 157 S CA 1.888 60.049 58.200 -0.065 0.000 1.014 157 S CB -0.336 62.830 63.200 -0.056 0.000 0.836 157 S HN 0.730 nan 8.310 nan 0.000 0.466 158 L N 0.334 121.508 121.223 -0.082 0.000 2.362 158 L HA 0.064 4.403 4.340 -0.000 0.000 0.219 158 L C 1.144 177.992 176.870 -0.037 0.000 1.134 158 L CA 1.365 56.169 54.840 -0.061 0.000 0.807 158 L CB -0.363 41.653 42.059 -0.072 0.000 0.927 158 L HN 0.106 nan 8.230 nan 0.000 0.447 159 N N 0.096 118.774 118.700 -0.036 0.000 2.280 159 N HA 0.017 4.757 4.740 -0.000 0.000 0.192 159 N C 0.233 175.750 175.510 0.013 0.000 1.109 159 N CA 0.169 53.216 53.050 -0.005 0.000 0.855 159 N CB 0.068 38.556 38.487 0.000 0.000 0.974 159 N HN 0.479 nan 8.380 nan 0.000 0.482 160 E N 0.687 120.886 120.200 -0.002 0.000 2.338 160 E HA 0.223 4.572 4.350 -0.000 0.000 0.272 160 E C 0.540 177.149 176.600 0.015 0.000 1.029 160 E CA 0.119 56.524 56.400 0.009 0.000 0.872 160 E CB 0.536 30.221 29.700 -0.025 0.000 1.015 160 E HN 0.379 nan 8.360 nan 0.000 0.417 161 G N 4.777 113.596 108.800 0.032 0.000 2.176 161 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.252 161 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.252 161 G C 0.198 175.114 174.900 0.025 0.000 1.024 161 G CA 0.500 45.616 45.100 0.026 0.000 0.755 161 G HN 0.400 nan 8.290 nan 0.000 0.507 162 M N 0.456 120.077 119.600 0.035 0.000 2.236 162 M HA 0.259 4.738 4.480 -0.000 0.000 0.228 162 M C -2.750 173.580 176.300 0.050 0.000 0.906 162 M CA -1.592 53.728 55.300 0.033 0.000 0.761 162 M CB 1.086 33.703 32.600 0.027 0.000 1.439 162 M HN -0.072 nan 8.290 nan 0.000 0.394 163 P HA 0.190 nan 4.420 nan 0.000 0.271 163 P C -0.032 177.314 177.300 0.076 0.000 1.218 163 P CA 0.137 63.281 63.100 0.072 0.000 0.780 163 P CB 0.566 32.289 31.700 0.040 0.000 0.901 164 S N 1.419 117.188 115.700 0.115 0.000 2.568 164 S HA 0.010 4.480 4.470 -0.000 0.000 0.282 164 S C 0.995 175.635 174.600 0.067 0.000 1.338 164 S CA -0.157 58.101 58.200 0.097 0.000 1.045 164 S CB 0.187 63.469 63.200 0.137 0.000 0.873 164 S HN 0.458 nan 8.310 nan 0.000 0.516 165 E N 0.364 120.587 120.200 0.039 0.000 2.498 165 E HA 0.179 4.529 4.350 -0.000 0.000 0.203 165 E C -0.535 176.065 176.600 -0.000 0.000 1.013 165 E CA 0.009 56.419 56.400 0.017 0.000 0.927 165 E CB 0.602 30.308 29.700 0.010 0.000 1.012 165 E HN 0.395 nan 8.360 nan 0.000 0.482 166 S N 0.747 116.447 115.700 0.000 0.000 2.537 166 S HA 0.191 4.661 4.470 -0.000 0.000 0.270 166 S C -1.248 173.330 174.600 -0.037 0.000 1.142 166 S CA -1.029 57.154 58.200 -0.028 0.000 0.870 166 S CB 1.922 65.112 63.200 -0.016 0.000 1.112 166 S HN -0.005 nan 8.310 nan 0.000 0.466 167 D N 2.128 122.464 120.400 -0.106 0.000 2.455 167 D HA 0.185 4.824 4.640 -0.000 0.000 0.241 167 D C 0.966 177.261 176.300 -0.008 0.000 1.138 167 D CA -0.210 53.724 54.000 -0.111 0.000 0.877 167 D CB 0.178 40.855 40.800 -0.204 0.000 1.187 167 D HN 0.707 nan 8.370 nan 0.000 0.451 168 C N 0.528 119.866 119.300 0.063 0.000 2.705 168 C HA 0.127 4.586 4.460 -0.000 0.000 0.365 168 C C 2.190 177.225 174.990 0.075 0.000 1.353 168 C CA -0.923 58.149 59.018 0.089 0.000 2.339 168 C CB -0.077 27.753 27.740 0.150 0.000 2.576 168 C HN 0.498 nan 8.230 nan 0.000 0.716 169 V N 2.375 122.335 119.914 0.077 0.000 2.287 169 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 169 V C 2.631 178.763 176.094 0.063 0.000 1.053 169 V CA 2.668 65.004 62.300 0.060 0.000 1.027 169 V CB -0.934 30.929 31.823 0.066 0.000 0.646 169 V HN 0.996 nan 8.190 nan 0.000 0.447 170 V N -2.215 117.767 119.914 0.113 0.000 2.490 170 V HA -0.156 3.964 4.120 -0.000 0.000 0.250 170 V C 2.225 178.343 176.094 0.039 0.000 1.061 170 V CA 1.821 64.172 62.300 0.086 0.000 1.064 170 V CB -0.935 30.973 31.823 0.140 0.000 0.670 170 V HN 0.303 nan 8.190 nan 0.000 0.461 171 V N 0.570 120.530 119.914 0.076 0.000 2.343 171 V HA -0.285 3.834 4.120 -0.000 0.000 0.247 171 V C 2.868 178.953 176.094 -0.015 0.000 1.051 171 V CA 2.519 64.843 62.300 0.041 0.000 1.036 171 V CB -0.828 31.055 31.823 0.101 0.000 0.654 171 V HN 0.590 nan 8.190 nan 0.000 0.451 172 Q N -0.603 119.180 119.800 -0.029 0.000 2.084 172 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 172 Q C 2.335 178.282 176.000 -0.089 0.000 0.978 172 Q CA 1.887 57.650 55.803 -0.068 0.000 0.844 172 Q CB -0.343 28.361 28.738 -0.058 0.000 0.898 172 Q HN 0.556 nan 8.270 nan 0.000 0.426 173 V N 1.209 121.085 119.914 -0.063 0.000 2.295 173 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 173 V C 2.242 178.290 176.094 -0.076 0.000 1.049 173 V CA 1.516 63.770 62.300 -0.075 0.000 1.024 173 V CB -0.604 31.195 31.823 -0.039 0.000 0.648 173 V HN 0.336 nan 8.190 nan 0.000 0.447 174 L N -0.395 120.793 121.223 -0.058 0.000 2.013 174 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 174 L C 2.642 179.478 176.870 -0.056 0.000 1.073 174 L CA 1.925 56.731 54.840 -0.057 0.000 0.753 174 L CB -0.653 41.373 42.059 -0.055 0.000 0.890 174 L HN 0.302 nan 8.230 nan 0.000 0.432 175 K N -0.045 120.318 120.400 -0.061 0.000 2.057 175 K HA -0.126 4.193 4.320 -0.000 0.000 0.206 175 K C 2.056 178.602 176.600 -0.090 0.000 1.050 175 K CA 1.100 57.349 56.287 -0.064 0.000 0.935 175 K CB -0.205 32.255 32.500 -0.068 0.000 0.715 175 K HN 0.253 nan 8.250 nan 0.000 0.439 176 L N 1.002 122.133 121.223 -0.153 0.000 2.275 176 L HA -0.152 4.187 4.340 -0.000 0.000 0.215 176 L C 1.996 178.790 176.870 -0.126 0.000 1.119 176 L CA 0.793 55.484 54.840 -0.248 0.000 0.790 176 L CB -0.150 41.540 42.059 -0.616 0.000 0.919 176 L HN 0.162 nan 8.230 nan 0.000 0.443 177 Q N -0.114 119.649 119.800 -0.061 0.000 2.320 177 Q HA 0.115 4.455 4.340 -0.000 0.000 0.201 177 Q C 1.427 177.443 176.000 0.027 0.000 0.910 177 Q CA 0.735 56.538 55.803 0.001 0.000 0.946 177 Q CB 0.766 29.500 28.738 -0.006 0.000 1.062 177 Q HN 0.552 nan 8.270 nan 0.000 0.503 178 G N 0.525 109.338 108.800 0.021 0.000 2.157 178 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.248 178 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.248 178 G C 0.390 175.279 174.900 -0.017 0.000 0.979 178 G CA 0.206 45.347 45.100 0.069 0.000 0.650 178 G HN 0.569 nan 8.290 nan 0.000 0.529 179 A N -0.736 122.060 122.820 -0.039 0.000 2.313 179 A HA 0.736 5.055 4.320 -0.000 0.000 0.261 179 A C 0.370 177.917 177.584 -0.062 0.000 1.090 179 A CA 0.408 52.406 52.037 -0.065 0.000 0.807 179 A CB 1.188 20.155 19.000 -0.056 0.000 1.055 179 A HN 1.188 nan 8.150 nan 0.000 0.492 180 V N 2.770 122.654 119.914 -0.051 0.000 2.327 180 V HA 0.272 4.392 4.120 -0.000 0.000 0.272 180 V C -2.562 173.592 176.094 0.100 0.000 1.019 180 V CA -1.345 60.944 62.300 -0.019 0.000 0.814 180 V CB 0.987 32.754 31.823 -0.093 0.000 1.040 180 V HN 0.707 nan 8.190 nan 0.000 0.440 181 P HA 0.202 nan 4.420 nan 0.000 0.271 181 P C 0.017 177.349 177.300 0.053 0.000 1.216 181 P CA 0.109 63.242 63.100 0.054 0.000 0.771 181 P CB 0.385 32.100 31.700 0.026 0.000 0.864 182 F N 2.644 122.499 119.950 -0.158 0.000 2.856 182 F HA 0.365 4.892 4.527 -0.001 0.000 0.338 182 F C -0.370 175.364 175.800 -0.110 0.000 1.005 182 F CA -0.333 57.627 58.000 -0.067 0.000 1.155 182 F CB 0.080 39.173 39.000 0.155 0.000 1.010 182 F HN 0.090 nan 8.300 nan 0.000 0.587 183 V N -1.280 118.161 119.914 -0.788 0.000 3.049 183 V HA 0.537 4.657 4.120 -0.000 0.000 0.309 183 V C -1.280 174.533 176.094 -0.468 0.000 1.148 183 V CA -1.003 60.945 62.300 -0.585 0.000 0.990 183 V CB 1.352 32.807 31.823 -0.614 0.000 1.039 183 V HN 0.289 nan 8.190 nan 0.000 0.430 184 H N 1.484 120.351 119.070 -0.338 0.000 2.502 184 H HA 0.690 5.246 4.556 -0.001 0.000 0.327 184 H C 0.227 175.417 175.328 -0.229 0.000 1.099 184 H CA 0.135 56.038 56.048 -0.242 0.000 1.323 184 H CB 1.702 31.350 29.762 -0.190 0.000 1.450 184 H HN 1.039 nan 8.280 nan 0.000 0.502 185 T N 0.733 115.264 114.554 -0.039 0.000 2.918 185 T HA 0.185 4.534 4.350 -0.000 0.000 0.286 185 T C 0.267 174.913 174.700 -0.090 0.000 1.026 185 T CA -1.201 60.845 62.100 -0.090 0.000 1.031 185 T CB 1.607 70.435 68.868 -0.068 0.000 1.046 185 T HN 0.435 nan 8.240 nan 0.000 0.479 186 N N 0.286 118.930 118.700 -0.093 0.000 2.453 186 N HA 0.406 5.146 4.740 -0.000 0.000 0.253 186 N C -0.416 175.097 175.510 0.005 0.000 1.252 186 N CA -0.230 52.782 53.050 -0.063 0.000 0.917 186 N CB 0.591 39.061 38.487 -0.029 0.000 1.117 186 N HN 0.801 nan 8.380 nan 0.000 0.442 187 V N -0.293 119.646 119.914 0.042 0.000 3.040 187 V HA 0.760 4.880 4.120 -0.000 0.000 0.312 187 V C -2.633 173.518 176.094 0.094 0.000 1.115 187 V CA -2.133 60.206 62.300 0.065 0.000 0.998 187 V CB 1.923 33.779 31.823 0.054 0.000 1.042 187 V HN 0.618 nan 8.190 nan 0.000 0.433 188 P HA 0.095 nan 4.420 nan 0.000 0.272 188 P C -0.593 176.794 177.300 0.145 0.000 1.223 188 P CA -0.040 63.128 63.100 0.115 0.000 0.784 188 P CB 0.540 32.306 31.700 0.111 0.000 0.923 189 Q N 2.096 121.991 119.800 0.159 0.000 2.247 189 Q HA 0.041 4.381 4.340 -0.000 0.000 0.288 189 Q C 0.704 176.845 176.000 0.235 0.000 1.079 189 Q CA 1.240 57.142 55.803 0.164 0.000 0.932 189 Q CB -0.245 28.608 28.738 0.193 0.000 1.133 189 Q HN 0.708 nan 8.270 nan 0.000 0.377 190 S N 3.367 119.148 115.700 0.135 0.000 2.427 190 S HA -0.341 4.128 4.470 -0.000 0.000 0.253 190 S C 0.709 175.456 174.600 0.245 0.000 1.246 190 S CA 1.408 59.724 58.200 0.193 0.000 1.421 190 S CB -1.728 61.731 63.200 0.431 0.000 1.769 190 S HN 1.043 nan 8.310 nan 0.000 0.620 191 M N -2.044 117.685 119.600 0.215 0.000 2.949 191 M HA -0.197 4.283 4.480 -0.000 0.000 0.194 191 M C 0.266 176.716 176.300 0.250 0.000 0.618 191 M CA 1.684 57.083 55.300 0.166 0.000 0.742 191 M CB -2.161 30.470 32.600 0.053 0.000 2.662 191 M HN 0.577 nan 8.290 nan 0.000 0.291 192 F N 2.222 122.296 119.950 0.206 0.000 2.640 192 F HA 0.444 4.970 4.527 -0.000 0.000 0.354 192 F C 0.478 176.355 175.800 0.129 0.000 1.213 192 F CA -0.087 57.987 58.000 0.123 0.000 1.314 192 F CB 0.332 39.335 39.000 0.005 0.000 1.679 192 F HN 0.119 nan 8.300 nan 0.000 0.622 193 S N 2.117 118.037 115.700 0.367 0.000 2.580 193 S HA 0.157 4.626 4.470 -0.000 0.000 0.281 193 S C -0.568 174.137 174.600 0.175 0.000 1.129 193 S CA -0.651 57.663 58.200 0.190 0.000 0.862 193 S CB 0.644 63.919 63.200 0.126 0.000 1.090 193 S HN 0.472 nan 8.310 nan 0.000 0.451 194 Y N 1.459 121.705 120.300 -0.089 0.000 2.658 194 Y HA 0.575 5.124 4.550 -0.000 0.000 0.276 194 Y C 0.285 176.092 175.900 -0.155 0.000 1.167 194 Y CA -0.592 57.370 58.100 -0.230 0.000 1.230 194 Y CB 0.027 37.977 38.460 -0.850 0.000 1.144 194 Y HN 0.506 nan 8.280 nan 0.000 0.529 195 D N -0.117 120.168 120.400 -0.192 0.000 2.560 195 D HA 0.306 4.946 4.640 -0.000 0.000 0.277 195 D C -0.628 175.674 176.300 0.003 0.000 1.194 195 D CA -0.797 53.139 54.000 -0.107 0.000 1.092 195 D CB 2.010 42.722 40.800 -0.146 0.000 1.169 195 D HN 0.157 nan 8.370 nan 0.000 0.607 196 C N 1.131 120.446 119.300 0.024 0.000 3.235 196 C HA 0.518 4.978 4.460 -0.000 0.000 0.198 196 C C -0.782 174.241 174.990 0.056 0.000 1.527 196 C CA -0.245 58.804 59.018 0.053 0.000 1.167 196 C CB -1.514 26.265 27.740 0.064 0.000 1.938 196 C HN 0.361 nan 8.230 nan 0.000 0.593 197 S N 2.234 117.968 115.700 0.056 0.000 2.542 197 S HA 0.864 5.333 4.470 -0.000 0.000 0.293 197 S C -0.754 173.896 174.600 0.083 0.000 1.089 197 S CA -0.310 57.927 58.200 0.062 0.000 0.961 197 S CB 1.219 64.440 63.200 0.035 0.000 1.062 197 S HN 0.869 nan 8.310 nan 0.000 0.483 198 N N 2.173 120.928 118.700 0.092 0.000 2.525 198 N HA 0.600 5.339 4.740 -0.000 0.000 0.270 198 N C -2.840 172.696 175.510 0.044 0.000 1.321 198 N CA -1.586 51.518 53.050 0.090 0.000 0.797 198 N CB 1.238 39.794 38.487 0.115 0.000 1.529 198 N HN 0.185 nan 8.380 nan 0.000 0.491 199 P HA 0.086 nan 4.420 nan 0.000 0.229 199 P C 0.701 177.949 177.300 -0.086 0.000 1.160 199 P CA 0.644 63.726 63.100 -0.031 0.000 0.777 199 P CB 0.289 32.015 31.700 0.044 0.000 0.814 200 L N -2.542 118.596 121.223 -0.143 0.000 2.034 200 L HA -0.004 4.336 4.340 -0.000 0.000 0.203 200 L C 1.775 178.356 176.870 -0.481 0.000 1.074 200 L CA 1.556 56.155 54.840 -0.401 0.000 0.748 200 L CB -0.764 40.898 42.059 -0.661 0.000 0.905 200 L HN -0.087 nan 8.230 nan 0.000 0.439 201 F N -0.624 119.336 119.950 0.017 0.000 2.704 201 F HA 0.389 4.916 4.527 -0.000 0.000 0.304 201 F C 1.438 177.240 175.800 0.003 0.000 1.094 201 F CA 0.297 58.305 58.000 0.014 0.000 1.275 201 F CB 0.330 39.341 39.000 0.020 0.000 1.073 201 F HN 0.193 nan 8.300 nan 0.000 0.586 202 G N 0.887 109.760 108.800 0.122 0.000 2.568 202 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.222 202 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.222 202 G C -0.744 174.203 174.900 0.078 0.000 1.321 202 G CA -0.620 44.521 45.100 0.068 0.000 0.893 202 G HN 0.288 nan 8.290 nan 0.000 0.569 203 Q N -0.005 119.823 119.800 0.048 0.000 2.271 203 Q HA 0.607 4.947 4.340 -0.000 0.000 0.258 203 Q C -0.242 175.781 176.000 0.038 0.000 0.936 203 Q CA -0.293 55.533 55.803 0.039 0.000 0.909 203 Q CB 0.932 29.681 28.738 0.018 0.000 1.253 203 Q HN 0.626 nan 8.270 nan 0.000 0.440 204 T N 4.646 119.226 114.554 0.043 0.000 2.882 204 T HA 0.451 4.801 4.350 -0.000 0.000 0.287 204 T C -0.191 174.535 174.700 0.043 0.000 0.992 204 T CA -0.235 61.888 62.100 0.038 0.000 1.076 204 T CB 0.610 69.504 68.868 0.043 0.000 0.961 204 T HN 0.568 nan 8.240 nan 0.000 0.490 205 M N 2.761 122.383 119.600 0.038 0.000 2.508 205 M HA 0.366 4.845 4.480 -0.000 0.000 0.327 205 M C 0.408 176.751 176.300 0.072 0.000 1.160 205 M CA -0.969 54.359 55.300 0.046 0.000 0.980 205 M CB 1.276 33.891 32.600 0.025 0.000 1.693 205 M HN 0.435 nan 8.290 nan 0.000 0.452 206 N N 2.973 121.734 118.700 0.102 0.000 2.483 206 N HA 0.087 4.827 4.740 -0.000 0.000 0.264 206 N C -1.944 173.650 175.510 0.140 0.000 1.197 206 N CA -1.017 52.129 53.050 0.160 0.000 0.927 206 N CB 1.105 39.702 38.487 0.182 0.000 1.065 206 N HN 0.336 nan 8.380 nan 0.000 0.461 207 P HA -0.037 nan 4.420 nan 0.000 0.222 207 P C 0.636 177.909 177.300 -0.044 0.000 1.147 207 P CA 1.110 64.207 63.100 -0.005 0.000 0.790 207 P CB -0.021 31.622 31.700 -0.095 0.000 0.780 208 W N 0.573 121.883 121.300 0.016 0.000 2.770 208 W HA 0.195 4.855 4.660 -0.000 0.000 0.256 208 W C 0.868 177.385 176.519 -0.004 0.000 1.291 208 W CA 0.453 57.802 57.345 0.007 0.000 1.396 208 W CB 0.067 29.533 29.460 0.009 0.000 1.114 208 W HN -0.116 nan 8.180 nan 0.000 0.637 209 K N -0.152 120.364 120.400 0.195 0.000 2.575 209 K HA 0.043 4.362 4.320 -0.000 0.000 0.271 209 K C 0.687 177.327 176.600 0.066 0.000 1.013 209 K CA 0.259 56.610 56.287 0.107 0.000 0.939 209 K CB 0.754 33.314 32.500 0.100 0.000 1.328 209 K HN -0.142 nan 8.250 nan 0.000 0.450 210 S N 0.695 116.417 115.700 0.036 0.000 2.481 210 S HA -0.122 4.347 4.470 -0.000 0.000 0.231 210 S C 1.345 175.954 174.600 0.016 0.000 0.996 210 S CA 1.243 59.457 58.200 0.022 0.000 0.942 210 S CB -0.127 63.076 63.200 0.005 0.000 0.768 210 S HN 0.592 nan 8.310 nan 0.000 0.520 211 S N 0.290 115.997 115.700 0.011 0.000 2.603 211 S HA 0.258 4.728 4.470 -0.000 0.000 0.220 211 S C 0.465 175.062 174.600 -0.005 0.000 0.967 211 S CA -0.349 57.850 58.200 -0.001 0.000 0.920 211 S CB -0.131 63.064 63.200 -0.008 0.000 0.773 211 S HN 0.189 nan 8.310 nan 0.000 0.529 212 K N 1.920 122.325 120.400 0.009 0.000 2.156 212 K HA 0.442 4.762 4.320 -0.000 0.000 0.254 212 K C -0.211 176.411 176.600 0.036 0.000 0.950 212 K CA -0.394 55.892 56.287 -0.002 0.000 0.849 212 K CB 1.696 34.191 32.500 -0.009 0.000 1.100 212 K HN 0.171 nan 8.250 nan 0.000 0.434 213 S N 2.486 118.211 115.700 0.041 0.000 2.562 213 S HA 0.118 4.588 4.470 -0.000 0.000 0.281 213 S C -1.481 173.260 174.600 0.234 0.000 1.333 213 S CA -1.064 57.209 58.200 0.122 0.000 1.052 213 S CB 0.400 63.690 63.200 0.149 0.000 0.884 213 S HN 0.334 nan 8.310 nan 0.000 0.506 214 P HA 0.215 nan 4.420 nan 0.000 0.249 214 P C 0.751 178.243 177.300 0.320 0.000 1.229 214 P CA 0.607 63.868 63.100 0.269 0.000 0.788 214 P CB -0.669 31.133 31.700 0.170 0.000 1.072 215 G N -0.867 108.148 108.800 0.359 0.000 2.760 215 G HA2 0.229 4.189 3.960 -0.000 0.000 0.246 215 G HA3 0.229 4.189 3.960 -0.000 0.000 0.246 215 G C -0.299 174.632 174.900 0.051 0.000 1.359 215 G CA -0.637 44.497 45.100 0.056 0.000 0.861 215 G HN 0.626 nan 8.290 nan 0.000 0.541 216 G N -2.642 106.188 108.800 0.050 0.000 2.342 216 G HA2 0.706 4.666 3.960 -0.000 0.000 0.297 216 G HA3 0.706 4.666 3.960 -0.000 0.000 0.297 216 G C 0.770 175.794 174.900 0.206 0.000 1.313 216 G CA 0.879 46.045 45.100 0.111 0.000 0.830 216 G HN 2.175 nan 8.290 nan 0.000 0.506 217 S N -1.149 114.658 115.700 0.179 0.000 2.562 217 S HA 0.097 4.566 4.470 -0.000 0.000 0.221 217 S C 1.252 175.909 174.600 0.094 0.000 0.975 217 S CA 1.071 59.346 58.200 0.125 0.000 0.918 217 S CB 0.127 63.398 63.200 0.119 0.000 0.772 217 S HN 0.665 nan 8.310 nan 0.000 0.531 218 S N 1.886 117.643 115.700 0.095 0.000 3.122 218 S HA 0.340 4.810 4.470 -0.000 0.000 0.249 218 S C 1.485 176.128 174.600 0.072 0.000 1.334 218 S CA -0.017 58.233 58.200 0.083 0.000 1.251 218 S CB -0.202 63.050 63.200 0.087 0.000 1.034 218 S HN 0.687 nan 8.310 nan 0.000 0.478 219 G N 1.902 110.745 108.800 0.071 0.000 2.403 219 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.216 219 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.216 219 G C 1.369 176.306 174.900 0.062 0.000 1.154 219 G CA 0.444 45.589 45.100 0.075 0.000 0.784 219 G HN 0.596 nan 8.290 nan 0.000 0.538 220 G N 0.764 109.588 108.800 0.039 0.000 2.440 220 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 220 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 220 G C 1.639 176.547 174.900 0.013 0.000 1.154 220 G CA 1.088 46.196 45.100 0.014 0.000 0.767 220 G HN 0.337 nan 8.290 nan 0.000 0.552 221 E N 0.729 120.941 120.200 0.020 0.000 2.058 221 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 221 E C 2.799 179.424 176.600 0.040 0.000 0.997 221 E CA 1.140 57.550 56.400 0.016 0.000 0.801 221 E CB -0.993 28.720 29.700 0.022 0.000 0.746 221 E HN 0.344 nan 8.360 nan 0.000 0.450 222 G N 1.188 110.026 108.800 0.063 0.000 2.446 222 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 222 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 222 G C 1.745 176.712 174.900 0.112 0.000 1.168 222 G CA 1.626 46.783 45.100 0.094 0.000 0.771 222 G HN 0.411 nan 8.290 nan 0.000 0.551 223 A N 0.091 122.968 122.820 0.094 0.000 1.898 223 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 223 A C 2.350 179.966 177.584 0.054 0.000 1.181 223 A CA 1.621 53.709 52.037 0.086 0.000 0.620 223 A CB -0.400 18.639 19.000 0.064 0.000 0.819 223 A HN 0.422 nan 8.150 nan 0.000 0.442 224 L N 0.042 121.288 121.223 0.037 0.000 2.005 224 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 224 L C 2.235 179.141 176.870 0.059 0.000 1.072 224 L CA 1.811 56.670 54.840 0.033 0.000 0.744 224 L CB -0.461 41.601 42.059 0.005 0.000 0.895 224 L HN 0.420 nan 8.230 nan 0.000 0.433 225 I N -0.504 120.101 120.570 0.060 0.000 2.252 225 I HA -0.179 3.990 4.170 -0.000 0.000 0.245 225 I C 2.393 178.563 176.117 0.088 0.000 1.102 225 I CA 1.246 62.589 61.300 0.072 0.000 1.385 225 I CB -1.049 36.984 38.000 0.054 0.000 1.064 225 I HN 0.420 nan 8.210 nan 0.000 0.414 226 G N 0.110 108.973 108.800 0.105 0.000 2.470 226 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 226 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 226 G C 1.553 176.480 174.900 0.045 0.000 1.121 226 G CA 1.018 46.206 45.100 0.147 0.000 0.766 226 G HN 0.523 nan 8.290 nan 0.000 0.553 227 S N -1.552 114.150 115.700 0.002 0.000 2.539 227 S HA 0.437 4.907 4.470 -0.000 0.000 0.221 227 S C 1.531 176.111 174.600 -0.033 0.000 0.987 227 S CA 0.809 58.962 58.200 -0.077 0.000 0.929 227 S CB 0.410 63.560 63.200 -0.084 0.000 0.832 227 S HN 1.400 nan 8.310 nan 0.000 0.492 228 G N 0.360 109.180 108.800 0.033 0.000 2.144 228 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 228 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 228 G C 0.723 175.718 174.900 0.158 0.000 0.988 228 G CA -0.128 45.017 45.100 0.075 0.000 0.659 228 G HN 1.010 nan 8.290 nan 0.000 0.522 229 G N -0.639 108.259 108.800 0.165 0.000 3.042 229 G HA2 0.494 4.454 3.960 -0.000 0.000 0.212 229 G HA3 0.494 4.454 3.960 -0.000 0.000 0.212 229 G C 0.362 175.494 174.900 0.387 0.000 1.166 229 G CA 1.381 46.628 45.100 0.244 0.000 0.767 229 G HN 1.568 nan 8.290 nan 0.000 0.546 230 S N -0.417 115.450 115.700 0.278 0.000 2.548 230 S HA 0.515 4.984 4.470 -0.000 0.000 0.278 230 S C -2.523 172.015 174.600 -0.104 0.000 1.150 230 S CA -0.832 57.397 58.200 0.048 0.000 0.907 230 S CB 2.372 65.650 63.200 0.131 0.000 1.108 230 S HN -0.101 nan 8.310 nan 0.000 0.459 231 P HA 0.295 nan 4.420 nan 0.000 0.245 231 P C -0.233 176.993 177.300 -0.122 0.000 1.206 231 P CA 0.159 63.125 63.100 -0.224 0.000 0.781 231 P CB 0.029 31.511 31.700 -0.362 0.000 0.994 232 L N -1.260 119.894 121.223 -0.115 0.000 2.643 232 L HA 0.735 5.075 4.340 -0.000 0.000 0.257 232 L C -1.248 175.576 176.870 -0.077 0.000 0.922 232 L CA -0.404 54.385 54.840 -0.084 0.000 0.909 232 L CB 1.610 43.608 42.059 -0.100 0.000 1.424 232 L HN -0.008 nan 8.230 nan 0.000 0.422 233 G N 3.542 112.294 108.800 -0.080 0.000 2.694 233 G HA2 0.702 4.662 3.960 -0.000 0.000 0.290 233 G HA3 0.702 4.662 3.960 -0.000 0.000 0.290 233 G C -2.061 172.754 174.900 -0.142 0.000 1.386 233 G CA -0.785 44.249 45.100 -0.110 0.000 0.872 233 G HN 0.627 nan 8.290 nan 0.000 0.475 234 L N 0.322 121.401 121.223 -0.240 0.000 2.346 234 L HA 0.774 5.114 4.340 -0.000 0.000 0.276 234 L C 0.613 177.441 176.870 -0.069 0.000 1.006 234 L CA -0.717 53.934 54.840 -0.316 0.000 0.817 234 L CB 2.080 43.598 42.059 -0.900 0.000 1.272 234 L HN 0.783 nan 8.230 nan 0.000 0.421 235 G N 0.481 109.377 108.800 0.161 0.000 2.818 235 G HA2 0.762 4.721 3.960 -0.000 0.000 0.286 235 G HA3 0.762 4.721 3.960 -0.000 0.000 0.286 235 G C -0.934 174.159 174.900 0.322 0.000 1.364 235 G CA -0.319 44.954 45.100 0.289 0.000 0.938 235 G HN 0.517 nan 8.290 nan 0.000 0.490 236 T N -2.213 112.440 114.554 0.164 0.000 2.907 236 T HA 0.706 5.056 4.350 -0.000 0.000 0.290 236 T C -1.791 172.924 174.700 0.025 0.000 1.066 236 T CA -0.757 61.378 62.100 0.059 0.000 1.012 236 T CB 2.690 71.516 68.868 -0.070 0.000 1.184 236 T HN 0.494 nan 8.240 nan 0.000 0.522 237 D N 0.321 120.716 120.400 -0.008 0.000 2.738 237 D HA 0.315 4.954 4.640 -0.000 0.000 0.218 237 D C -0.353 175.918 176.300 -0.047 0.000 1.345 237 D CA -0.489 53.502 54.000 -0.014 0.000 0.943 237 D CB 1.896 42.689 40.800 -0.011 0.000 1.514 237 D HN 0.619 nan 8.370 nan 0.000 0.585 238 I N 1.685 122.217 120.570 -0.063 0.000 4.323 238 I HA 0.281 4.450 4.170 -0.000 0.000 0.328 238 I C 1.249 177.340 176.117 -0.043 0.000 1.310 238 I CA 0.224 61.465 61.300 -0.100 0.000 1.186 238 I CB 0.863 38.727 38.000 -0.228 0.000 1.130 238 I HN 0.480 nan 8.210 nan 0.000 0.411 239 G N -0.750 108.066 108.800 0.026 0.000 4.000 239 G HA2 0.384 4.343 3.960 -0.000 0.000 0.260 239 G HA3 0.384 4.343 3.960 -0.000 0.000 0.260 239 G C 0.746 175.681 174.900 0.058 0.000 1.047 239 G CA 0.481 45.632 45.100 0.085 0.000 0.860 239 G HN 0.372 nan 8.290 nan 0.000 0.464 240 G N -0.116 108.656 108.800 -0.048 0.000 2.370 240 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.174 240 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.174 240 G C 1.156 175.957 174.900 -0.165 0.000 1.002 240 G CA 0.574 45.453 45.100 -0.369 0.000 0.730 240 G HN 0.318 nan 8.290 nan 0.000 0.497 241 S N -0.061 115.686 115.700 0.078 0.000 2.500 241 S HA 0.118 4.588 4.470 -0.000 0.000 0.239 241 S C 2.073 176.717 174.600 0.075 0.000 0.989 241 S CA 1.122 59.412 58.200 0.151 0.000 0.951 241 S CB -0.071 63.203 63.200 0.124 0.000 0.759 241 S HN 0.536 nan 8.310 nan 0.000 0.523 242 I N 0.186 120.762 120.570 0.009 0.000 2.731 242 I HA 0.030 4.200 4.170 -0.000 0.000 0.260 242 I C 2.385 178.479 176.117 -0.038 0.000 1.138 242 I CA 0.527 61.830 61.300 0.006 0.000 1.461 242 I CB 0.065 38.070 38.000 0.007 0.000 1.128 242 I HN 0.113 nan 8.210 nan 0.000 0.438 243 R N -0.066 120.357 120.500 -0.128 0.000 2.080 243 R HA 0.001 4.341 4.340 -0.000 0.000 0.222 243 R C 2.197 178.371 176.300 -0.211 0.000 1.107 243 R CA 1.121 57.110 56.100 -0.185 0.000 0.980 243 R CB -0.302 29.843 30.300 -0.258 0.000 0.879 243 R HN 0.107 nan 8.270 nan 0.000 0.439 244 F N 1.554 121.379 119.950 -0.207 0.000 2.046 244 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 244 F C -0.548 174.937 175.800 -0.525 0.000 1.123 244 F CA 1.176 58.873 58.000 -0.506 0.000 1.199 244 F CB -1.657 36.997 39.000 -0.577 0.000 0.972 244 F HN 0.042 nan 8.300 nan 0.000 0.474 245 P HA -0.065 nan 4.420 nan 0.000 0.221 245 P C 1.563 178.900 177.300 0.061 0.000 1.150 245 P CA 1.548 64.648 63.100 -0.001 0.000 0.800 245 P CB -0.064 31.669 31.700 0.054 0.000 0.787 246 S N 0.451 116.170 115.700 0.032 0.000 2.356 246 S HA -0.099 4.371 4.470 -0.000 0.000 0.223 246 S C 2.221 176.867 174.600 0.077 0.000 1.032 246 S CA 1.515 59.745 58.200 0.051 0.000 1.005 246 S CB -0.965 62.245 63.200 0.016 0.000 0.867 246 S HN 0.199 nan 8.310 nan 0.000 0.449 247 A N 1.147 124.011 122.820 0.073 0.000 1.873 247 A HA 0.021 4.341 4.320 -0.000 0.000 0.215 247 A C 1.802 179.555 177.584 0.282 0.000 1.186 247 A CA 1.172 53.294 52.037 0.141 0.000 0.616 247 A CB -0.744 18.352 19.000 0.161 0.000 0.823 247 A HN 0.441 nan 8.150 nan 0.000 0.442 248 F N -0.310 119.682 119.950 0.069 0.000 2.234 248 F HA -0.108 4.419 4.527 -0.001 0.000 0.299 248 F C 2.280 178.084 175.800 0.008 0.000 1.087 248 F CA 0.046 58.071 58.000 0.042 0.000 1.340 248 F CB -1.209 37.852 39.000 0.102 0.000 1.031 248 F HN 0.233 nan 8.300 nan 0.000 0.500 249 C N -0.648 118.815 119.300 0.272 0.000 2.791 249 C HA 0.518 4.978 4.460 -0.000 0.000 0.270 249 C C 1.695 176.870 174.990 0.308 0.000 1.257 249 C CA 0.247 59.451 59.018 0.309 0.000 1.699 249 C CB -0.886 27.035 27.740 0.303 0.000 1.904 249 C HN 0.699 nan 8.230 nan 0.000 0.603 250 G N 2.172 111.039 108.800 0.112 0.000 2.225 250 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 250 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 250 G C -0.172 174.818 174.900 0.152 0.000 1.060 250 G CA 0.652 45.795 45.100 0.072 0.000 0.833 250 G HN 0.764 nan 8.290 nan 0.000 0.498 251 I N -3.899 116.743 120.570 0.121 0.000 3.294 251 I HA 0.838 5.008 4.170 -0.000 0.000 0.311 251 I C 0.370 176.519 176.117 0.053 0.000 1.111 251 I CA -1.685 59.673 61.300 0.097 0.000 0.976 251 I CB 1.717 39.778 38.000 0.102 0.000 1.260 251 I HN 0.042 nan 8.210 nan 0.000 0.474 252 C N 1.416 120.739 119.300 0.038 0.000 2.365 252 C HA 0.896 5.355 4.460 -0.000 0.000 0.351 252 C C 0.549 175.545 174.990 0.010 0.000 1.240 252 C CA -0.060 58.968 59.018 0.015 0.000 2.062 252 C CB 0.181 27.929 27.740 0.013 0.000 2.387 252 C HN 0.970 nan 8.230 nan 0.000 0.537 253 G N 1.552 110.351 108.800 -0.002 0.000 2.696 253 G HA2 0.649 4.609 3.960 -0.000 0.000 0.295 253 G HA3 0.649 4.609 3.960 -0.000 0.000 0.295 253 G C -2.026 172.869 174.900 -0.009 0.000 1.398 253 G CA -0.349 44.748 45.100 -0.004 0.000 0.920 253 G HN 0.666 nan 8.290 nan 0.000 0.492 254 L N 0.550 121.771 121.223 -0.002 0.000 2.381 254 L HA 0.719 5.059 4.340 -0.000 0.000 0.274 254 L C -0.312 176.564 176.870 0.010 0.000 0.988 254 L CA -0.874 53.968 54.840 0.004 0.000 0.824 254 L CB 1.959 44.027 42.059 0.015 0.000 1.263 254 L HN 0.458 nan 8.230 nan 0.000 0.410 255 K N 6.828 127.231 120.400 0.005 0.000 2.347 255 K HA 0.544 4.864 4.320 -0.000 0.000 0.262 255 K C -2.599 174.007 176.600 0.010 0.000 1.052 255 K CA -1.719 54.573 56.287 0.009 0.000 0.946 255 K CB 1.141 33.640 32.500 -0.002 0.000 1.220 255 K HN 0.383 nan 8.250 nan 0.000 0.450 256 P HA 0.054 nan 4.420 nan 0.000 0.275 256 P C -0.689 176.578 177.300 -0.055 0.000 1.266 256 P CA -0.364 62.736 63.100 0.000 0.000 0.793 256 P CB 0.391 32.114 31.700 0.039 0.000 1.074 257 T N 0.446 114.911 114.554 -0.148 0.000 2.939 257 T HA 0.034 4.384 4.350 -0.000 0.000 0.312 257 T C 1.898 176.468 174.700 -0.217 0.000 1.064 257 T CA 0.887 62.796 62.100 -0.317 0.000 1.136 257 T CB -0.071 68.325 68.868 -0.787 0.000 1.035 257 T HN 0.594 nan 8.240 nan 0.000 0.538 258 G N 1.906 110.595 108.800 -0.186 0.000 2.469 258 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 258 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 258 G C 1.280 176.177 174.900 -0.006 0.000 1.136 258 G CA 0.533 45.590 45.100 -0.073 0.000 0.759 258 G HN 0.672 nan 8.290 nan 0.000 0.562 259 N N -0.671 118.031 118.700 0.004 0.000 2.279 259 N HA 0.119 4.859 4.740 -0.000 0.000 0.226 259 N C 1.692 177.416 175.510 0.356 0.000 1.126 259 N CA -0.231 52.936 53.050 0.196 0.000 0.846 259 N CB 0.074 38.737 38.487 0.293 0.000 1.050 259 N HN 0.141 nan 8.380 nan 0.000 0.502 260 R N -0.328 120.335 120.500 0.272 0.000 2.115 260 R HA 0.225 4.565 4.340 -0.000 0.000 0.226 260 R C -0.118 176.358 176.300 0.293 0.000 1.100 260 R CA 1.134 57.463 56.100 0.381 0.000 0.980 260 R CB 0.086 30.544 30.300 0.264 0.000 0.875 260 R HN 0.198 nan 8.270 nan 0.000 0.445 261 L N -0.557 120.793 121.223 0.211 0.000 2.341 261 L HA 0.379 4.719 4.340 -0.000 0.000 0.267 261 L C -0.297 176.672 176.870 0.166 0.000 1.009 261 L CA -1.106 53.844 54.840 0.185 0.000 0.819 261 L CB 1.918 44.066 42.059 0.148 0.000 1.323 261 L HN -0.097 nan 8.230 nan 0.000 0.425 262 S N 0.540 116.333 115.700 0.156 0.000 2.510 262 S HA 0.118 4.588 4.470 -0.000 0.000 0.279 262 S C 0.637 175.311 174.600 0.122 0.000 1.284 262 S CA -0.210 58.072 58.200 0.136 0.000 1.059 262 S CB 0.286 63.559 63.200 0.123 0.000 0.901 262 S HN 0.579 nan 8.310 nan 0.000 0.491 263 K N 2.796 123.253 120.400 0.095 0.000 2.387 263 K HA 0.099 4.419 4.320 -0.000 0.000 0.198 263 K C 0.444 177.079 176.600 0.058 0.000 1.022 263 K CA -0.099 56.225 56.287 0.062 0.000 1.128 263 K CB 0.342 32.863 32.500 0.034 0.000 0.853 263 K HN 0.504 nan 8.250 nan 0.000 0.523 264 S N 0.368 116.112 115.700 0.074 0.000 2.498 264 S HA 0.221 4.691 4.470 -0.000 0.000 0.281 264 S C 1.154 175.790 174.600 0.060 0.000 1.265 264 S CA 0.887 59.126 58.200 0.064 0.000 1.071 264 S CB 0.173 63.411 63.200 0.065 0.000 0.894 264 S HN 0.651 nan 8.310 nan 0.000 0.491 265 G N 3.529 112.360 108.800 0.052 0.000 2.175 265 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.244 265 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.244 265 G C -0.079 174.850 174.900 0.047 0.000 0.982 265 G CA 0.035 45.165 45.100 0.049 0.000 0.641 265 G HN 0.709 nan 8.290 nan 0.000 0.527 266 L N 0.627 121.862 121.223 0.020 0.000 2.483 266 L HA 0.525 4.865 4.340 -0.000 0.000 0.276 266 L C 0.839 177.712 176.870 0.004 0.000 1.213 266 L CA 0.068 54.874 54.840 -0.057 0.000 0.843 266 L CB 0.737 42.703 42.059 -0.155 0.000 1.107 266 L HN 0.256 nan 8.230 nan 0.000 0.487 267 K N 1.252 121.635 120.400 -0.029 0.000 2.297 267 K HA 0.592 4.911 4.320 -0.000 0.000 0.286 267 K C -0.131 176.456 176.600 -0.023 0.000 1.053 267 K CA 0.109 56.414 56.287 0.030 0.000 0.940 267 K CB 0.837 33.342 32.500 0.009 0.000 1.019 267 K HN 0.687 nan 8.250 nan 0.000 0.475 268 G N 1.092 109.909 108.800 0.030 0.000 2.816 268 G HA2 0.372 4.331 3.960 -0.000 0.000 0.288 268 G HA3 0.372 4.331 3.960 -0.000 0.000 0.288 268 G C 0.057 174.775 174.900 -0.303 0.000 1.334 268 G CA -0.349 44.589 45.100 -0.271 0.000 0.978 268 G HN 0.856 nan 8.290 nan 0.000 0.493 269 C N -2.026 117.059 119.300 -0.359 0.000 3.545 269 C HA 0.622 5.082 4.460 -0.000 0.000 0.368 269 C C 0.116 175.004 174.990 -0.170 0.000 1.400 269 C CA -0.470 58.449 59.018 -0.164 0.000 1.848 269 C CB -0.514 27.237 27.740 0.018 0.000 2.576 269 C HN 0.350 nan 8.230 nan 0.000 0.683 270 V N 1.539 121.232 119.914 -0.368 0.000 2.531 270 V HA 0.517 4.637 4.120 -0.000 0.000 0.301 270 V C -1.487 174.347 176.094 -0.433 0.000 1.034 270 V CA -0.206 61.961 62.300 -0.221 0.000 0.865 270 V CB 1.337 33.109 31.823 -0.084 0.000 0.995 270 V HN 0.367 nan 8.190 nan 0.000 0.424 271 Y N 1.512 121.826 120.300 0.024 0.000 2.429 271 Y HA 0.680 5.230 4.550 -0.001 0.000 0.342 271 Y C 1.165 177.074 175.900 0.015 0.000 1.004 271 Y CA 0.198 58.304 58.100 0.010 0.000 1.075 271 Y CB 2.147 40.616 38.460 0.014 0.000 1.214 271 Y HN 0.847 nan 8.280 nan 0.000 0.455 272 G N 1.255 110.156 108.800 0.168 0.000 2.179 272 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.260 272 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.260 272 G C 0.092 175.030 174.900 0.064 0.000 0.977 272 G CA -0.170 44.995 45.100 0.108 0.000 0.641 272 G HN 0.510 nan 8.290 nan 0.000 0.533 273 Q N 1.202 121.017 119.800 0.026 0.000 2.307 273 Q HA 0.474 4.814 4.340 -0.000 0.000 0.259 273 Q C 1.260 177.251 176.000 -0.015 0.000 0.998 273 Q CA 0.973 56.772 55.803 -0.008 0.000 0.923 273 Q CB 0.753 29.452 28.738 -0.064 0.000 1.196 273 Q HN 0.609 nan 8.270 nan 0.000 0.416 274 T N -0.272 114.286 114.554 0.006 0.000 3.043 274 T HA 0.294 4.644 4.350 -0.000 0.000 0.272 274 T C 1.348 176.049 174.700 0.001 0.000 0.990 274 T CA 0.365 62.469 62.100 0.007 0.000 0.897 274 T CB 0.397 69.285 68.868 0.032 0.000 1.111 274 T HN 0.383 nan 8.240 nan 0.000 0.529 275 A N 1.561 124.379 122.820 -0.003 0.000 1.877 275 A HA 0.320 4.640 4.320 -0.000 0.000 0.216 275 A C 1.079 178.641 177.584 -0.036 0.000 1.186 275 A CA 1.015 53.046 52.037 -0.010 0.000 0.620 275 A CB -0.462 18.531 19.000 -0.011 0.000 0.822 275 A HN 0.450 nan 8.150 nan 0.000 0.443 276 V N 1.380 121.257 119.914 -0.061 0.000 2.326 276 V HA 0.218 4.338 4.120 -0.000 0.000 0.281 276 V C -0.532 175.512 176.094 -0.083 0.000 1.015 276 V CA -0.582 61.672 62.300 -0.077 0.000 0.823 276 V CB 1.155 32.918 31.823 -0.099 0.000 1.009 276 V HN 0.522 nan 8.190 nan 0.000 0.436 277 Q N 2.749 122.510 119.800 -0.064 0.000 2.288 277 Q HA 0.420 4.760 4.340 -0.000 0.000 0.254 277 Q C -0.447 175.508 176.000 -0.074 0.000 0.932 277 Q CA -0.722 55.046 55.803 -0.059 0.000 0.902 277 Q CB 2.128 30.843 28.738 -0.038 0.000 1.203 277 Q HN 0.580 nan 8.270 nan 0.000 0.415 278 L N 1.541 122.713 121.223 -0.084 0.000 2.439 278 L HA 0.224 4.563 4.340 -0.000 0.000 0.269 278 L C -0.410 176.430 176.870 -0.050 0.000 1.179 278 L CA 0.765 55.551 54.840 -0.089 0.000 0.828 278 L CB 1.386 43.376 42.059 -0.116 0.000 1.106 278 L HN 0.531 nan 8.230 nan 0.000 0.467 279 S N 3.781 119.459 115.700 -0.038 0.000 2.536 279 S HA 0.763 5.232 4.470 -0.000 0.000 0.287 279 S C -0.991 173.625 174.600 0.026 0.000 1.101 279 S CA -0.821 57.376 58.200 -0.005 0.000 0.950 279 S CB 1.080 64.275 63.200 -0.010 0.000 1.056 279 S HN 0.697 nan 8.310 nan 0.000 0.481 280 L N 2.385 123.651 121.223 0.072 0.000 2.334 280 L HA 1.127 5.467 4.340 -0.000 0.000 0.272 280 L C 0.098 177.049 176.870 0.135 0.000 1.020 280 L CA -0.130 54.803 54.840 0.155 0.000 0.812 280 L CB 1.413 43.634 42.059 0.270 0.000 1.264 280 L HN 0.774 nan 8.230 nan 0.000 0.439 281 G N 0.685 109.567 108.800 0.137 0.000 2.506 281 G HA2 0.594 4.554 3.960 -0.000 0.000 0.292 281 G HA3 0.594 4.554 3.960 -0.000 0.000 0.292 281 G C -3.373 171.546 174.900 0.031 0.000 1.425 281 G CA -0.851 44.291 45.100 0.069 0.000 0.788 281 G HN 0.616 nan 8.290 nan 0.000 0.490 282 P HA 0.558 nan 4.420 nan 0.000 0.284 282 P C -0.904 176.385 177.300 -0.018 0.000 1.258 282 P CA -0.352 62.728 63.100 -0.034 0.000 0.824 282 P CB 1.676 33.347 31.700 -0.047 0.000 1.038 283 M N 1.462 121.046 119.600 -0.025 0.000 2.457 283 M HA 0.761 5.241 4.480 -0.000 0.000 0.300 283 M C -0.476 175.817 176.300 -0.012 0.000 1.141 283 M CA -0.410 54.886 55.300 -0.007 0.000 0.901 283 M CB 2.762 35.366 32.600 0.006 0.000 1.687 283 M HN 0.505 nan 8.290 nan 0.000 0.449 284 A N 1.292 124.115 122.820 0.004 0.000 2.483 284 A HA 0.555 4.875 4.320 -0.000 0.000 0.294 284 A C -0.438 177.163 177.584 0.029 0.000 1.077 284 A CA -0.788 51.252 52.037 0.005 0.000 0.633 284 A CB 1.148 20.139 19.000 -0.015 0.000 1.318 284 A HN 0.900 nan 8.150 nan 0.000 0.455 285 R N -0.239 120.283 120.500 0.037 0.000 2.236 285 R HA 0.092 4.431 4.340 -0.000 0.000 0.208 285 R C -0.549 175.781 176.300 0.050 0.000 1.036 285 R CA 1.535 57.669 56.100 0.057 0.000 1.001 285 R CB -0.079 30.261 30.300 0.067 0.000 0.896 285 R HN 0.827 nan 8.270 nan 0.000 0.464 286 D N -3.128 117.295 120.400 0.037 0.000 2.596 286 D HA 0.074 4.713 4.640 -0.000 0.000 0.262 286 D C 0.564 176.885 176.300 0.036 0.000 1.210 286 D CA -0.766 53.257 54.000 0.039 0.000 0.873 286 D CB 0.915 41.743 40.800 0.046 0.000 1.408 286 D HN -0.331 nan 8.370 nan 0.000 0.441 287 V N -0.150 119.794 119.914 0.051 0.000 2.427 287 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 287 V C 2.253 178.395 176.094 0.080 0.000 1.051 287 V CA 2.085 64.425 62.300 0.067 0.000 1.048 287 V CB -0.780 31.106 31.823 0.105 0.000 0.666 287 V HN 0.737 nan 8.190 nan 0.000 0.456 288 E N 0.817 121.086 120.200 0.115 0.000 2.118 288 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 288 E C 2.285 178.888 176.600 0.005 0.000 0.992 288 E CA 1.796 58.269 56.400 0.122 0.000 0.804 288 E CB -0.345 29.431 29.700 0.128 0.000 0.741 288 E HN 0.565 nan 8.360 nan 0.000 0.458 289 S N 0.053 115.751 115.700 -0.003 0.000 2.368 289 S HA -0.131 4.338 4.470 -0.000 0.000 0.225 289 S C 1.888 176.440 174.600 -0.081 0.000 1.030 289 S CA 1.258 59.434 58.200 -0.041 0.000 0.999 289 S CB -0.342 62.843 63.200 -0.025 0.000 0.844 289 S HN 0.288 nan 8.310 nan 0.000 0.459 290 L N 1.160 122.342 121.223 -0.069 0.000 2.046 290 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 290 L C 2.838 179.607 176.870 -0.169 0.000 1.077 290 L CA 1.301 56.089 54.840 -0.086 0.000 0.747 290 L CB -0.855 41.177 42.059 -0.044 0.000 0.896 290 L HN 0.328 nan 8.230 nan 0.000 0.432 291 A N 0.121 122.789 122.820 -0.254 0.000 1.902 291 A HA -0.206 4.113 4.320 -0.000 0.000 0.217 291 A C 2.227 179.449 177.584 -0.603 0.000 1.181 291 A CA 1.627 53.352 52.037 -0.521 0.000 0.623 291 A CB -0.626 17.839 19.000 -0.892 0.000 0.818 291 A HN 0.330 nan 8.150 nan 0.000 0.443 292 L N -0.432 120.584 121.223 -0.346 0.000 2.056 292 L HA -0.139 4.200 4.340 -0.000 0.000 0.207 292 L C 2.537 179.248 176.870 -0.266 0.000 1.078 292 L CA 2.204 56.875 54.840 -0.283 0.000 0.749 292 L CB -1.028 40.944 42.059 -0.145 0.000 0.901 292 L HN 0.510 nan 8.230 nan 0.000 0.433 293 C N -0.893 118.282 119.300 -0.208 0.000 2.432 293 C HA -0.151 4.308 4.460 -0.000 0.000 0.277 293 C C 2.750 177.634 174.990 -0.177 0.000 1.249 293 C CA 1.023 59.945 59.018 -0.160 0.000 1.725 293 C CB -1.108 26.560 27.740 -0.120 0.000 2.028 293 C HN 0.624 nan 8.230 nan 0.000 0.477 294 L N 1.392 122.484 121.223 -0.218 0.000 2.042 294 L HA -0.124 4.215 4.340 -0.000 0.000 0.210 294 L C 2.596 179.325 176.870 -0.235 0.000 1.076 294 L CA 2.235 56.982 54.840 -0.155 0.000 0.749 294 L CB -0.861 41.172 42.059 -0.043 0.000 0.893 294 L HN 0.416 nan 8.230 nan 0.000 0.432 295 K N -1.049 119.008 120.400 -0.571 0.000 2.097 295 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 295 K C 1.964 178.454 176.600 -0.184 0.000 1.049 295 K CA 1.344 57.355 56.287 -0.460 0.000 0.933 295 K CB -0.124 31.993 32.500 -0.639 0.000 0.717 295 K HN 0.357 nan 8.250 nan 0.000 0.442 296 A N 0.845 123.562 122.820 -0.172 0.000 1.929 296 A HA -0.040 4.279 4.320 -0.000 0.000 0.216 296 A C 2.039 179.570 177.584 -0.089 0.000 1.176 296 A CA 0.941 52.917 52.037 -0.102 0.000 0.628 296 A CB -0.405 18.541 19.000 -0.090 0.000 0.816 296 A HN 0.288 nan 8.150 nan 0.000 0.444 297 L N -0.660 120.506 121.223 -0.094 0.000 2.072 297 L HA -0.006 4.333 4.340 -0.000 0.000 0.205 297 L C 0.735 177.513 176.870 -0.154 0.000 1.079 297 L CA 0.501 55.289 54.840 -0.088 0.000 0.752 297 L CB -0.402 41.629 42.059 -0.046 0.000 0.906 297 L HN 0.261 nan 8.230 nan 0.000 0.436 298 L N 1.579 122.739 121.223 -0.104 0.000 2.511 298 L HA 0.063 4.403 4.340 -0.000 0.000 0.239 298 L C 0.113 176.788 176.870 -0.325 0.000 1.400 298 L CA -0.640 54.119 54.840 -0.135 0.000 1.226 298 L CB -0.822 41.370 42.059 0.222 0.000 1.475 298 L HN 0.424 nan 8.230 nan 0.000 0.428 299 C N -2.987 115.949 119.300 -0.607 0.000 2.973 299 C HA 0.457 4.917 4.460 -0.000 0.000 0.329 299 C C 1.716 176.343 174.990 -0.605 0.000 1.327 299 C CA -0.865 57.901 59.018 -0.419 0.000 1.632 299 C CB 1.953 29.575 27.740 -0.196 0.000 2.098 299 C HN 0.463 nan 8.230 nan 0.000 0.469 300 E N 0.190 120.224 120.200 -0.277 0.000 2.118 300 E HA -0.176 4.173 4.350 -0.000 0.000 0.195 300 E C 1.925 178.431 176.600 -0.157 0.000 0.992 300 E CA 1.692 58.008 56.400 -0.139 0.000 0.804 300 E CB -0.441 29.185 29.700 -0.122 0.000 0.741 300 E HN 0.720 nan 8.360 nan 0.000 0.458 301 H N 0.310 119.304 119.070 -0.126 0.000 2.319 301 H HA -0.156 4.400 4.556 -0.000 0.000 0.297 301 H C 2.343 177.604 175.328 -0.111 0.000 1.097 301 H CA 1.425 57.417 56.048 -0.093 0.000 1.285 301 H CB -0.581 29.127 29.762 -0.090 0.000 1.368 301 H HN 0.150 nan 8.280 nan 0.000 0.495 302 L N 0.165 121.324 121.223 -0.107 0.000 2.056 302 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 302 L C 1.990 178.856 176.870 -0.007 0.000 1.078 302 L CA 1.261 56.027 54.840 -0.123 0.000 0.749 302 L CB -0.456 41.452 42.059 -0.252 0.000 0.901 302 L HN -0.060 nan 8.230 nan 0.000 0.433 303 F N -0.147 119.833 119.950 0.050 0.000 2.293 303 F HA -0.088 4.439 4.527 -0.000 0.000 0.300 303 F C 2.666 178.482 175.800 0.027 0.000 1.086 303 F CA 1.254 59.273 58.000 0.031 0.000 1.375 303 F CB -1.833 37.175 39.000 0.012 0.000 1.045 303 F HN 0.318 nan 8.300 nan 0.000 0.516 304 T N -2.517 112.142 114.554 0.176 0.000 3.009 304 T HA 0.012 4.362 4.350 -0.000 0.000 0.258 304 T C 2.040 176.796 174.700 0.093 0.000 1.063 304 T CA 0.594 62.763 62.100 0.115 0.000 1.139 304 T CB -0.664 68.254 68.868 0.084 0.000 0.890 304 T HN 0.271 nan 8.240 nan 0.000 0.471 305 L N 0.721 121.997 121.223 0.089 0.000 2.156 305 L HA 0.167 4.507 4.340 -0.000 0.000 0.208 305 L C 0.799 177.713 176.870 0.074 0.000 1.095 305 L CA 1.005 55.886 54.840 0.068 0.000 0.770 305 L CB -0.028 42.063 42.059 0.054 0.000 0.914 305 L HN 0.296 nan 8.230 nan 0.000 0.439 306 D N -1.297 119.164 120.400 0.102 0.000 2.363 306 D HA 0.193 4.833 4.640 -0.000 0.000 0.258 306 D C -2.033 174.342 176.300 0.125 0.000 1.259 306 D CA -1.894 52.169 54.000 0.104 0.000 0.921 306 D CB 1.341 42.206 40.800 0.108 0.000 1.201 306 D HN -0.180 nan 8.370 nan 0.000 0.524 307 P HA -0.068 nan 4.420 nan 0.000 0.228 307 P C 1.292 178.624 177.300 0.055 0.000 1.151 307 P CA 0.997 64.142 63.100 0.075 0.000 0.770 307 P CB 0.154 31.883 31.700 0.048 0.000 0.786 308 T N -4.408 110.185 114.554 0.065 0.000 3.072 308 T HA 0.021 4.370 4.350 -0.000 0.000 0.266 308 T C 0.737 175.478 174.700 0.068 0.000 1.127 308 T CA 0.232 62.365 62.100 0.056 0.000 1.107 308 T CB -0.824 68.081 68.868 0.061 0.000 0.910 308 T HN -0.181 nan 8.240 nan 0.000 0.513 309 V N 4.558 124.533 119.914 0.102 0.000 2.461 309 V HA 0.329 4.449 4.120 -0.000 0.000 0.275 309 V C -2.100 173.997 176.094 0.005 0.000 1.047 309 V CA -2.215 60.162 62.300 0.128 0.000 0.955 309 V CB 0.966 32.933 31.823 0.241 0.000 0.988 309 V HN 0.317 nan 8.190 nan 0.000 0.471 310 P HA 0.163 nan 4.420 nan 0.000 0.267 310 P C -2.550 174.438 177.300 -0.520 0.000 1.205 310 P CA -1.592 61.331 63.100 -0.294 0.000 0.765 310 P CB 0.016 31.454 31.700 -0.436 0.000 0.828 311 P HA 0.174 nan 4.420 nan 0.000 0.230 311 P C -0.499 176.194 177.300 -1.012 0.000 1.791 311 P CA 0.093 62.201 63.100 -1.653 0.000 1.020 311 P CB -0.145 30.946 31.700 -1.015 0.000 1.977 312 L N 4.374 125.218 121.223 -0.632 0.000 2.268 312 L HA 0.334 4.673 4.340 -0.000 0.000 0.289 312 L C -1.680 175.256 176.870 0.112 0.000 1.064 312 L CA -2.176 52.549 54.840 -0.192 0.000 0.824 312 L CB 0.594 42.590 42.059 -0.103 0.000 1.202 312 L HN 0.051 nan 8.230 nan 0.000 0.433 313 P HA -0.077 nan 4.420 nan 0.000 0.269 313 P C -0.470 176.969 177.300 0.232 0.000 1.215 313 P CA -0.283 62.981 63.100 0.273 0.000 0.780 313 P CB 0.590 32.399 31.700 0.182 0.000 0.898 314 F N 3.178 123.199 119.950 0.119 0.000 2.571 314 F HA 0.071 4.598 4.527 -0.000 0.000 0.384 314 F C 1.054 176.898 175.800 0.074 0.000 1.058 314 F CA -0.001 58.048 58.000 0.081 0.000 1.200 314 F CB 0.292 39.319 39.000 0.046 0.000 1.077 314 F HN 0.152 nan 8.300 nan 0.000 0.558 315 R N 5.385 125.690 120.500 -0.325 0.000 2.308 315 R HA 0.016 4.355 4.340 -0.000 0.000 0.325 315 R C 1.128 177.326 176.300 -0.169 0.000 1.161 315 R CA -0.159 55.840 56.100 -0.168 0.000 1.022 315 R CB 0.577 30.794 30.300 -0.139 0.000 1.091 315 R HN 0.725 nan 8.270 nan 0.000 0.497 316 E N 3.035 123.293 120.200 0.097 0.000 2.118 316 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 316 E C 1.592 178.289 176.600 0.162 0.000 0.992 316 E CA 1.807 58.365 56.400 0.264 0.000 0.804 316 E CB 0.278 30.146 29.700 0.280 0.000 0.741 316 E HN 0.578 nan 8.360 nan 0.000 0.458 317 E N 0.368 120.613 120.200 0.076 0.000 2.150 317 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 317 E C 2.138 178.752 176.600 0.025 0.000 0.985 317 E CA 1.321 57.749 56.400 0.045 0.000 0.814 317 E CB -0.600 29.117 29.700 0.027 0.000 0.752 317 E HN 0.296 nan 8.360 nan 0.000 0.466 318 V N 0.906 120.823 119.914 0.005 0.000 2.307 318 V HA -0.250 3.869 4.120 -0.000 0.000 0.245 318 V C 2.412 178.533 176.094 0.046 0.000 1.045 318 V CA 1.860 64.159 62.300 -0.002 0.000 1.024 318 V CB -1.013 30.782 31.823 -0.045 0.000 0.651 318 V HN 0.230 nan 8.190 nan 0.000 0.449 319 Y N 1.590 121.850 120.300 -0.067 0.000 2.207 319 Y HA -0.167 4.382 4.550 -0.000 0.000 0.287 319 Y C 2.419 178.362 175.900 0.072 0.000 1.156 319 Y CA 1.529 59.643 58.100 0.023 0.000 1.182 319 Y CB -0.111 38.426 38.460 0.128 0.000 0.979 319 Y HN 0.061 nan 8.280 nan 0.000 0.521 320 R N 0.345 120.771 120.500 -0.123 0.000 2.317 320 R HA 0.092 4.432 4.340 -0.000 0.000 0.208 320 R C 0.949 177.184 176.300 -0.109 0.000 0.914 320 R CA 0.511 56.490 56.100 -0.201 0.000 1.060 320 R CB -0.666 29.599 30.300 -0.059 0.000 1.015 320 R HN 0.227 nan 8.270 nan 0.000 0.498 321 S N 1.260 116.925 115.700 -0.058 0.000 2.558 321 S HA -0.016 4.454 4.470 -0.000 0.000 0.288 321 S C 1.058 175.648 174.600 -0.016 0.000 1.318 321 S CA 0.113 58.299 58.200 -0.022 0.000 1.056 321 S CB 0.601 63.801 63.200 -0.001 0.000 0.853 321 S HN 0.379 nan 8.310 nan 0.000 0.505 322 S N 4.139 119.838 115.700 -0.000 0.000 2.602 322 S HA 0.338 4.808 4.470 -0.000 0.000 0.240 322 S C 0.294 174.916 174.600 0.035 0.000 0.992 322 S CA -0.721 57.491 58.200 0.019 0.000 0.971 322 S CB 0.014 63.217 63.200 0.004 0.000 0.855 322 S HN 0.721 nan 8.310 nan 0.000 0.481 323 R N 2.133 122.654 120.500 0.036 0.000 2.641 323 R HA 0.355 4.695 4.340 -0.000 0.000 0.269 323 R C -2.652 173.694 176.300 0.076 0.000 1.074 323 R CA -1.579 54.541 56.100 0.032 0.000 1.133 323 R CB -0.244 30.068 30.300 0.020 0.000 1.029 323 R HN 0.216 nan 8.270 nan 0.000 0.488 324 P HA 0.017 nan 4.420 nan 0.000 0.269 324 P C -0.767 176.631 177.300 0.163 0.000 1.209 324 P CA 0.243 63.385 63.100 0.069 0.000 0.776 324 P CB 0.506 32.179 31.700 -0.044 0.000 0.876 325 L N 2.824 124.253 121.223 0.344 0.000 2.331 325 L HA 0.489 4.829 4.340 -0.000 0.000 0.275 325 L C 0.823 177.687 176.870 -0.010 0.000 1.022 325 L CA -0.781 54.089 54.840 0.050 0.000 0.812 325 L CB 1.404 43.356 42.059 -0.178 0.000 1.257 325 L HN 0.183 nan 8.230 nan 0.000 0.435 326 R N 1.703 122.144 120.500 -0.099 0.000 2.196 326 R HA 0.448 4.788 4.340 -0.000 0.000 0.340 326 R C -1.192 174.951 176.300 -0.262 0.000 1.043 326 R CA -0.463 55.558 56.100 -0.132 0.000 0.883 326 R CB 1.198 31.426 30.300 -0.121 0.000 1.078 326 R HN 0.280 nan 8.270 nan 0.000 0.462 327 V N 3.219 122.992 119.914 -0.234 0.000 2.334 327 V HA 0.328 4.448 4.120 -0.000 0.000 0.281 327 V C 0.797 176.786 176.094 -0.175 0.000 1.016 327 V CA -0.833 61.272 62.300 -0.325 0.000 0.832 327 V CB 1.488 33.151 31.823 -0.267 0.000 0.999 327 V HN 0.930 nan 8.190 nan 0.000 0.439 328 G N 4.121 112.723 108.800 -0.330 0.000 2.527 328 G HA2 0.470 4.430 3.960 -0.000 0.000 0.248 328 G HA3 0.470 4.430 3.960 -0.000 0.000 0.248 328 G C -0.920 174.024 174.900 0.072 0.000 1.231 328 G CA 0.013 44.994 45.100 -0.198 0.000 0.838 328 G HN 0.965 nan 8.290 nan 0.000 0.570 329 Y N -0.632 119.721 120.300 0.088 0.000 2.581 329 Y HA 0.669 5.219 4.550 -0.001 0.000 0.337 329 Y C -1.429 174.625 175.900 0.257 0.000 1.108 329 Y CA -2.191 55.968 58.100 0.098 0.000 1.033 329 Y CB 1.230 39.720 38.460 0.050 0.000 1.318 329 Y HN 0.859 nan 8.280 nan 0.000 0.459 330 Y N 0.205 120.643 120.300 0.231 0.000 2.534 330 Y HA 0.524 5.074 4.550 -0.001 0.000 0.345 330 Y C 0.393 176.480 175.900 0.313 0.000 1.031 330 Y CA -0.958 57.252 58.100 0.183 0.000 1.022 330 Y CB 1.889 40.434 38.460 0.143 0.000 1.292 330 Y HN 0.773 nan 8.280 nan 0.000 0.459 331 E N 1.080 121.548 120.200 0.446 0.000 2.452 331 E HA 0.123 4.473 4.350 -0.000 0.000 0.197 331 E C -0.521 176.307 176.600 0.379 0.000 1.022 331 E CA 0.767 57.366 56.400 0.332 0.000 0.890 331 E CB 0.758 30.626 29.700 0.280 0.000 0.918 331 E HN 0.646 nan 8.360 nan 0.000 0.496 332 T N 1.098 115.962 114.554 0.516 0.000 2.982 332 T HA 0.160 4.510 4.350 -0.000 0.000 0.321 332 T C -1.044 173.992 174.700 0.560 0.000 1.229 332 T CA -0.232 62.221 62.100 0.589 0.000 1.044 332 T CB 1.599 70.742 68.868 0.459 0.000 1.184 332 T HN 0.073 nan 8.240 nan 0.000 0.477 333 D N 2.562 123.283 120.400 0.535 0.000 2.328 333 D HA 0.093 4.733 4.640 -0.000 0.000 0.226 333 D C 0.638 176.973 176.300 0.058 0.000 1.066 333 D CA -0.108 53.957 54.000 0.108 0.000 0.861 333 D CB -0.832 39.920 40.800 -0.081 0.000 0.912 333 D HN 0.805 nan 8.370 nan 0.000 0.521 334 N N -1.711 117.039 118.700 0.083 0.000 2.681 334 N HA -0.330 4.410 4.740 -0.000 0.000 0.250 334 N C -0.274 175.208 175.510 -0.046 0.000 1.133 334 N CA 1.029 53.912 53.050 -0.278 0.000 0.732 334 N CB -1.279 37.017 38.487 -0.320 0.000 1.107 334 N HN 0.420 nan 8.380 nan 0.000 0.559 335 Y N -0.675 119.747 120.300 0.205 0.000 2.817 335 Y HA 0.231 4.780 4.550 -0.000 0.000 0.257 335 Y C 0.495 176.731 175.900 0.559 0.000 1.055 335 Y CA 0.594 58.925 58.100 0.385 0.000 1.319 335 Y CB 0.933 39.504 38.460 0.184 0.000 1.481 335 Y HN -0.081 nan 8.280 nan 0.000 0.471 336 T N 3.354 118.215 114.554 0.512 0.000 2.743 336 T HA 0.261 4.611 4.350 -0.000 0.000 0.292 336 T C -0.402 174.583 174.700 0.475 0.000 0.972 336 T CA -0.495 61.877 62.100 0.453 0.000 0.967 336 T CB 0.636 69.775 68.868 0.451 0.000 0.926 336 T HN 0.225 nan 8.240 nan 0.000 0.459 337 M N 6.929 126.562 119.600 0.055 0.000 2.269 337 M HA 0.152 4.632 4.480 -0.000 0.000 0.350 337 M C -2.070 174.424 176.300 0.322 0.000 1.429 337 M CA -1.157 54.011 55.300 -0.220 0.000 1.063 337 M CB 0.595 32.611 32.600 -0.974 0.000 1.841 337 M HN 0.222 nan 8.290 nan 0.000 0.455 338 P HA 0.092 nan 4.420 nan 0.000 0.271 338 P C -0.910 176.580 177.300 0.317 0.000 1.218 338 P CA -0.294 62.990 63.100 0.306 0.000 0.780 338 P CB 0.523 32.347 31.700 0.206 0.000 0.901 339 S N 2.478 118.288 115.700 0.183 0.000 2.584 339 S HA 0.132 4.602 4.470 -0.000 0.000 0.270 339 S C -1.615 173.039 174.600 0.089 0.000 1.346 339 S CA -0.716 57.530 58.200 0.078 0.000 1.018 339 S CB -0.435 62.729 63.200 -0.061 0.000 0.899 339 S HN 0.277 nan 8.310 nan 0.000 0.542 340 P HA -0.097 nan 4.420 nan 0.000 0.216 340 P C 1.549 178.863 177.300 0.023 0.000 1.150 340 P CA 1.955 65.090 63.100 0.058 0.000 0.843 340 P CB -0.244 31.483 31.700 0.046 0.000 0.787 341 A N -1.195 121.622 122.820 -0.005 0.000 1.898 341 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 341 A C 2.222 179.792 177.584 -0.022 0.000 1.181 341 A CA 1.782 53.805 52.037 -0.024 0.000 0.620 341 A CB -1.420 17.550 19.000 -0.051 0.000 0.819 341 A HN 0.095 nan 8.150 nan 0.000 0.442 342 M N -1.467 118.122 119.600 -0.018 0.000 2.080 342 M HA -0.205 4.275 4.480 -0.000 0.000 0.260 342 M C 2.400 178.692 176.300 -0.013 0.000 1.068 342 M CA 2.196 57.477 55.300 -0.030 0.000 1.109 342 M CB -0.264 32.314 32.600 -0.037 0.000 1.342 342 M HN 0.462 nan 8.290 nan 0.000 0.405 343 R N 0.209 120.725 120.500 0.025 0.000 2.070 343 R HA -0.146 4.193 4.340 -0.000 0.000 0.233 343 R C 2.242 178.560 176.300 0.029 0.000 1.137 343 R CA 1.820 57.950 56.100 0.050 0.000 0.945 343 R CB -0.311 30.038 30.300 0.082 0.000 0.845 343 R HN 0.223 nan 8.270 nan 0.000 0.430 344 R N -0.145 120.365 120.500 0.017 0.000 2.083 344 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 344 R C 2.086 178.379 176.300 -0.011 0.000 1.137 344 R CA 1.683 57.786 56.100 0.005 0.000 0.951 344 R CB -0.459 29.840 30.300 -0.000 0.000 0.851 344 R HN 0.345 nan 8.270 nan 0.000 0.434 345 A N 1.797 124.603 122.820 -0.022 0.000 1.873 345 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 345 A C 2.162 179.723 177.584 -0.038 0.000 1.193 345 A CA 1.565 53.580 52.037 -0.036 0.000 0.629 345 A CB -0.878 18.093 19.000 -0.048 0.000 0.826 345 A HN 0.434 nan 8.150 nan 0.000 0.447 346 L N -0.227 120.979 121.223 -0.029 0.000 1.994 346 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 346 L C 2.336 179.187 176.870 -0.031 0.000 1.071 346 L CA 2.060 56.885 54.840 -0.025 0.000 0.745 346 L CB -0.866 41.195 42.059 0.003 0.000 0.892 346 L HN 0.342 nan 8.230 nan 0.000 0.431 347 I N 0.361 120.922 120.570 -0.016 0.000 2.226 347 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 347 I C 2.556 178.645 176.117 -0.047 0.000 1.100 347 I CA 1.150 62.430 61.300 -0.033 0.000 1.374 347 I CB -1.131 36.868 38.000 -0.001 0.000 1.057 347 I HN 0.367 nan 8.210 nan 0.000 0.413 348 E N 0.332 120.513 120.200 -0.033 0.000 2.077 348 E HA -0.169 4.180 4.350 -0.000 0.000 0.193 348 E C 2.116 178.694 176.600 -0.038 0.000 0.989 348 E CA 1.830 58.211 56.400 -0.031 0.000 0.800 348 E CB -0.113 29.572 29.700 -0.024 0.000 0.746 348 E HN 0.452 nan 8.360 nan 0.000 0.452 349 T N 1.326 115.853 114.554 -0.045 0.000 2.708 349 T HA -0.190 4.160 4.350 -0.000 0.000 0.266 349 T C 1.813 176.486 174.700 -0.045 0.000 1.037 349 T CA 1.406 63.478 62.100 -0.047 0.000 1.146 349 T CB -0.147 68.683 68.868 -0.064 0.000 0.865 349 T HN 0.136 nan 8.240 nan 0.000 0.435 350 K N 0.960 121.311 120.400 -0.082 0.000 2.020 350 K HA -0.233 4.086 4.320 -0.000 0.000 0.212 350 K C 2.370 178.911 176.600 -0.099 0.000 1.050 350 K CA 1.700 57.900 56.287 -0.145 0.000 0.929 350 K CB -0.141 32.173 32.500 -0.310 0.000 0.714 350 K HN 0.411 nan 8.250 nan 0.000 0.443 351 Q N -0.298 119.456 119.800 -0.078 0.000 2.119 351 Q HA -0.098 4.241 4.340 -0.000 0.000 0.201 351 Q C 2.273 178.264 176.000 -0.015 0.000 0.972 351 Q CA 1.111 56.886 55.803 -0.046 0.000 0.847 351 Q CB -0.016 28.700 28.738 -0.036 0.000 0.903 351 Q HN 0.271 nan 8.270 nan 0.000 0.433 352 R N 0.430 120.926 120.500 -0.006 0.000 2.092 352 R HA -0.068 4.272 4.340 -0.000 0.000 0.231 352 R C 2.304 178.637 176.300 0.055 0.000 1.119 352 R CA 0.894 57.004 56.100 0.016 0.000 0.970 352 R CB -0.357 29.949 30.300 0.010 0.000 0.864 352 R HN 0.294 nan 8.270 nan 0.000 0.440 353 L N 0.683 121.949 121.223 0.072 0.000 2.046 353 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 353 L C 2.269 179.235 176.870 0.161 0.000 1.077 353 L CA 1.495 56.440 54.840 0.175 0.000 0.747 353 L CB -0.404 41.739 42.059 0.139 0.000 0.896 353 L HN 0.200 nan 8.230 nan 0.000 0.432 354 E N 0.140 120.377 120.200 0.062 0.000 2.077 354 E HA -0.226 4.123 4.350 -0.000 0.000 0.193 354 E C 2.286 178.895 176.600 0.014 0.000 0.989 354 E CA 1.198 57.616 56.400 0.030 0.000 0.800 354 E CB -0.219 29.478 29.700 -0.006 0.000 0.746 354 E HN 0.505 nan 8.360 nan 0.000 0.452 355 A N 1.089 123.917 122.820 0.014 0.000 2.015 355 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 355 A C 2.200 179.778 177.584 -0.010 0.000 1.163 355 A CA 1.382 53.419 52.037 0.001 0.000 0.646 355 A CB -0.293 18.709 19.000 0.003 0.000 0.806 355 A HN 0.260 nan 8.150 nan 0.000 0.448 356 A N -1.906 120.916 122.820 0.004 0.000 2.251 356 A HA 0.433 4.753 4.320 -0.000 0.000 0.209 356 A C 1.646 179.108 177.584 -0.204 0.000 1.187 356 A CA 1.100 53.110 52.037 -0.046 0.000 0.823 356 A CB -0.785 18.246 19.000 0.051 0.000 0.846 356 A HN 1.795 nan 8.150 nan 0.000 0.486 357 G N -1.250 107.455 108.800 -0.158 0.000 2.159 357 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.227 357 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.227 357 G C 0.071 174.828 174.900 -0.238 0.000 0.986 357 G CA 0.130 45.115 45.100 -0.192 0.000 0.651 357 G HN 0.644 nan 8.290 nan 0.000 0.523 358 H N 0.503 119.570 119.070 -0.006 0.000 2.547 358 H HA 0.461 5.017 4.556 -0.001 0.000 0.362 358 H C 0.094 175.409 175.328 -0.022 0.000 1.181 358 H CA 0.755 56.794 56.048 -0.016 0.000 1.376 358 H CB 0.941 30.700 29.762 -0.006 0.000 1.488 358 H HN 0.090 nan 8.280 nan 0.000 0.583 359 T N 4.134 118.744 114.554 0.094 0.000 2.733 359 T HA 0.196 4.546 4.350 -0.000 0.000 0.294 359 T C 0.399 175.125 174.700 0.043 0.000 0.956 359 T CA -0.683 61.444 62.100 0.044 0.000 0.987 359 T CB 0.192 69.070 68.868 0.016 0.000 0.920 359 T HN 0.110 nan 8.240 nan 0.000 0.470 360 L N 5.308 126.571 121.223 0.066 0.000 2.264 360 L HA 0.551 4.891 4.340 -0.000 0.000 0.289 360 L C -0.184 176.840 176.870 0.257 0.000 1.044 360 L CA -0.256 54.658 54.840 0.124 0.000 0.807 360 L CB 0.850 42.906 42.059 -0.006 0.000 1.192 360 L HN 0.647 nan 8.230 nan 0.000 0.425 361 I N 5.854 126.597 120.570 0.287 0.000 2.447 361 I HA 0.316 4.486 4.170 -0.000 0.000 0.287 361 I C -2.222 173.895 176.117 -0.001 0.000 1.023 361 I CA -2.014 59.378 61.300 0.154 0.000 1.083 361 I CB 2.435 40.449 38.000 0.025 0.000 1.245 361 I HN 0.341 nan 8.210 nan 0.000 0.434 362 P HA 0.133 nan 4.420 nan 0.000 0.267 362 P C -1.055 176.173 177.300 -0.119 0.000 1.205 362 P CA 0.271 63.062 63.100 -0.515 0.000 0.765 362 P CB 0.276 31.809 31.700 -0.278 0.000 0.828 363 F N 4.422 124.225 119.950 -0.245 0.000 2.604 363 F HA 0.563 5.090 4.527 -0.000 0.000 0.316 363 F C -2.102 173.719 175.800 0.034 0.000 1.136 363 F CA -1.049 56.905 58.000 -0.077 0.000 0.989 363 F CB 1.516 40.470 39.000 -0.076 0.000 1.258 363 F HN 0.113 nan 8.300 nan 0.000 0.451 364 L N 8.091 128.958 121.223 -0.595 0.000 2.439 364 L HA 0.670 5.009 4.340 -0.000 0.000 0.270 364 L C -2.611 173.857 176.870 -0.671 0.000 0.972 364 L CA -2.009 52.518 54.840 -0.522 0.000 0.836 364 L CB 1.821 43.642 42.059 -0.397 0.000 1.255 364 L HN 0.351 nan 8.230 nan 0.000 0.404 365 P HA 0.080 nan 4.420 nan 0.000 0.264 365 P C -1.044 176.163 177.300 -0.156 0.000 1.183 365 P CA 0.149 63.124 63.100 -0.209 0.000 0.763 365 P CB 0.140 31.851 31.700 0.019 0.000 0.807 366 N N 2.119 120.767 118.700 -0.086 0.000 2.381 366 N HA -0.036 4.703 4.740 -0.000 0.000 0.241 366 N C 0.098 175.693 175.510 0.141 0.000 1.279 366 N CA -0.275 52.774 53.050 -0.002 0.000 0.896 366 N CB -0.255 38.240 38.487 0.014 0.000 1.118 366 N HN 0.256 nan 8.380 nan 0.000 0.438 367 N N -0.393 118.346 118.700 0.064 0.000 2.714 367 N HA -0.210 4.530 4.740 -0.000 0.000 0.252 367 N C 0.311 175.831 175.510 0.016 0.000 1.014 367 N CA 0.639 53.730 53.050 0.067 0.000 0.735 367 N CB -0.864 37.685 38.487 0.104 0.000 0.924 367 N HN 0.633 nan 8.380 nan 0.000 0.540 368 I N 0.649 121.199 120.570 -0.033 0.000 2.163 368 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 368 I C -0.519 175.485 176.117 -0.189 0.000 1.085 368 I CA 1.521 62.743 61.300 -0.131 0.000 1.347 368 I CB -0.812 37.099 38.000 -0.148 0.000 1.044 368 I HN 0.194 nan 8.210 nan 0.000 0.408 369 P HA -0.237 nan 4.420 nan 0.000 0.215 369 P C 1.558 178.823 177.300 -0.058 0.000 1.153 369 P CA 1.522 64.626 63.100 0.008 0.000 0.853 369 P CB -0.171 31.668 31.700 0.232 0.000 0.788 370 Y N 0.791 120.986 120.300 -0.174 0.000 2.145 370 Y HA -0.168 4.382 4.550 -0.001 0.000 0.286 370 Y C 2.307 177.992 175.900 -0.360 0.000 1.145 370 Y CA 1.679 59.642 58.100 -0.228 0.000 1.148 370 Y CB -1.122 37.212 38.460 -0.208 0.000 0.981 370 Y HN -0.120 nan 8.280 nan 0.000 0.507 371 A N 0.390 122.847 122.820 -0.606 0.000 1.933 371 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 371 A C 2.242 179.487 177.584 -0.565 0.000 1.175 371 A CA 1.938 53.480 52.037 -0.826 0.000 0.628 371 A CB -1.002 17.486 19.000 -0.854 0.000 0.814 371 A HN 0.581 nan 8.150 nan 0.000 0.444 372 L N -1.511 119.431 121.223 -0.468 0.000 2.102 372 L HA -0.053 4.287 4.340 -0.000 0.000 0.202 372 L C 2.514 179.082 176.870 -0.504 0.000 1.076 372 L CA 1.250 55.837 54.840 -0.421 0.000 0.761 372 L CB -0.494 41.291 42.059 -0.458 0.000 0.921 372 L HN 0.372 nan 8.230 nan 0.000 0.444 373 E N -0.426 119.480 120.200 -0.490 0.000 2.112 373 E HA -0.101 4.248 4.350 -0.000 0.000 0.190 373 E C 2.107 178.449 176.600 -0.429 0.000 0.979 373 E CA 0.913 56.969 56.400 -0.572 0.000 0.814 373 E CB 0.242 29.781 29.700 -0.268 0.000 0.762 373 E HN 0.219 nan 8.360 nan 0.000 0.460 374 V N 0.796 120.482 119.914 -0.379 0.000 2.490 374 V HA -0.082 4.037 4.120 -0.000 0.000 0.238 374 V C 2.152 178.032 176.094 -0.358 0.000 1.056 374 V CA 0.755 62.862 62.300 -0.321 0.000 1.075 374 V CB -0.375 31.280 31.823 -0.279 0.000 0.746 374 V HN 0.170 nan 8.190 nan 0.000 0.479 375 L N 0.023 120.929 121.223 -0.528 0.000 2.023 375 L HA -0.086 4.253 4.340 -0.000 0.000 0.205 375 L C 2.626 179.329 176.870 -0.277 0.000 1.073 375 L CA 1.748 56.337 54.840 -0.419 0.000 0.745 375 L CB -0.779 40.947 42.059 -0.556 0.000 0.900 375 L HN 0.287 nan 8.230 nan 0.000 0.435 376 S N -0.655 114.867 115.700 -0.297 0.000 2.345 376 S HA -0.136 4.334 4.470 -0.000 0.000 0.219 376 S C 2.034 176.561 174.600 -0.123 0.000 1.031 376 S CA 1.698 59.782 58.200 -0.193 0.000 0.984 376 S CB -0.291 62.797 63.200 -0.187 0.000 0.874 376 S HN 0.382 nan 8.310 nan 0.000 0.451 377 T N 1.706 116.160 114.554 -0.166 0.000 2.708 377 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 377 T C 2.051 176.790 174.700 0.066 0.000 1.037 377 T CA 1.444 63.525 62.100 -0.031 0.000 1.146 377 T CB -0.907 67.778 68.868 -0.305 0.000 0.865 377 T HN 0.540 nan 8.240 nan 0.000 0.435 378 G N 0.750 109.519 108.800 -0.052 0.000 2.422 378 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.218 378 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.218 378 G C 1.710 176.611 174.900 0.001 0.000 1.146 378 G CA 0.966 46.060 45.100 -0.009 0.000 0.769 378 G HN 0.571 nan 8.290 nan 0.000 0.547 379 G N 0.794 109.565 108.800 -0.049 0.000 2.418 379 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 379 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 379 G C 1.769 176.618 174.900 -0.086 0.000 1.158 379 G CA 0.625 45.691 45.100 -0.056 0.000 0.771 379 G HN 0.422 nan 8.290 nan 0.000 0.545 380 L N -1.176 119.965 121.223 -0.136 0.000 2.217 380 L HA 0.208 4.547 4.340 -0.000 0.000 0.211 380 L C 0.991 177.522 176.870 -0.566 0.000 1.107 380 L CA 0.478 55.105 54.840 -0.355 0.000 0.783 380 L CB 0.041 41.866 42.059 -0.390 0.000 0.919 380 L HN 0.129 nan 8.230 nan 0.000 0.442 381 F N -1.846 118.123 119.950 0.032 0.000 2.881 381 F HA 0.213 4.739 4.527 -0.000 0.000 0.343 381 F C 1.705 177.520 175.800 0.024 0.000 1.233 381 F CA -0.247 57.771 58.000 0.031 0.000 1.262 381 F CB -0.013 38.988 39.000 0.001 0.000 0.980 381 F HN -0.197 nan 8.300 nan 0.000 0.506 382 S N 0.103 115.874 115.700 0.117 0.000 2.419 382 S HA -0.182 4.287 4.470 -0.000 0.000 0.233 382 S C 1.590 176.248 174.600 0.096 0.000 1.016 382 S CA 1.720 59.972 58.200 0.088 0.000 0.974 382 S CB -0.204 63.029 63.200 0.054 0.000 0.786 382 S HN 0.597 nan 8.310 nan 0.000 0.492 383 D N -0.147 120.324 120.400 0.118 0.000 2.395 383 D HA 0.248 4.887 4.640 -0.000 0.000 0.226 383 D C 1.108 177.489 176.300 0.136 0.000 1.146 383 D CA 0.470 54.537 54.000 0.113 0.000 0.830 383 D CB -0.547 40.320 40.800 0.111 0.000 0.958 383 D HN 0.318 nan 8.370 nan 0.000 0.501 384 G N -0.156 108.738 108.800 0.156 0.000 2.189 384 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.267 384 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.267 384 G C 1.193 176.206 174.900 0.189 0.000 0.975 384 G CA 0.480 45.662 45.100 0.137 0.000 0.644 384 G HN 1.451 nan 8.290 nan 0.000 0.537 385 G N -1.307 107.679 108.800 0.310 0.000 2.175 385 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 385 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 385 G C 1.222 176.321 174.900 0.331 0.000 0.982 385 G CA 1.178 46.527 45.100 0.414 0.000 0.641 385 G HN 0.771 nan 8.290 nan 0.000 0.527 386 R N 0.823 121.458 120.500 0.224 0.000 2.083 386 R HA -0.057 4.282 4.340 -0.000 0.000 0.237 386 R C 2.685 179.098 176.300 0.188 0.000 1.137 386 R CA 1.900 58.104 56.100 0.173 0.000 0.951 386 R CB -0.732 29.643 30.300 0.125 0.000 0.851 386 R HN 0.460 nan 8.270 nan 0.000 0.434 387 S N 0.969 116.790 115.700 0.202 0.000 2.356 387 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 387 S C 1.609 176.364 174.600 0.260 0.000 1.032 387 S CA 1.248 59.566 58.200 0.197 0.000 1.005 387 S CB -0.435 62.872 63.200 0.177 0.000 0.867 387 S HN 0.282 nan 8.310 nan 0.000 0.449 388 F N 2.401 122.460 119.950 0.181 0.000 2.095 388 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 388 F C 1.827 177.819 175.800 0.320 0.000 1.104 388 F CA 1.209 59.361 58.000 0.254 0.000 1.232 388 F CB -0.522 38.681 39.000 0.338 0.000 0.987 388 F HN 0.091 nan 8.300 nan 0.000 0.475 389 L N -0.082 121.280 121.223 0.231 0.000 2.191 389 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 389 L C 2.492 179.440 176.870 0.130 0.000 1.103 389 L CA 0.690 55.610 54.840 0.133 0.000 0.769 389 L CB -0.690 41.445 42.059 0.128 0.000 0.908 389 L HN 0.191 nan 8.230 nan 0.000 0.438 390 Q N 0.036 119.897 119.800 0.100 0.000 2.181 390 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 390 Q C 1.851 177.855 176.000 0.007 0.000 0.980 390 Q CA 1.183 57.022 55.803 0.061 0.000 0.862 390 Q CB -0.491 28.286 28.738 0.065 0.000 0.905 390 Q HN 0.599 nan 8.270 nan 0.000 0.429 391 N N -0.347 118.318 118.700 -0.058 0.000 2.364 391 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 391 N C 0.974 176.244 175.510 -0.399 0.000 1.022 391 N CA 0.858 53.754 53.050 -0.257 0.000 0.883 391 N CB -0.113 38.105 38.487 -0.449 0.000 0.965 391 N HN 0.269 nan 8.380 nan 0.000 0.438 392 F N 0.704 120.561 119.950 -0.156 0.000 2.695 392 F HA 0.188 4.714 4.527 -0.001 0.000 0.303 392 F C 0.853 176.600 175.800 -0.088 0.000 1.091 392 F CA -0.557 57.368 58.000 -0.124 0.000 1.300 392 F CB 0.218 39.132 39.000 -0.144 0.000 1.071 392 F HN -0.298 nan 8.300 nan 0.000 0.578 393 K N 1.103 121.534 120.400 0.052 0.000 2.430 393 K HA 0.264 4.584 4.320 -0.000 0.000 0.280 393 K C 1.102 177.688 176.600 -0.024 0.000 1.063 393 K CA 0.941 57.238 56.287 0.017 0.000 1.071 393 K CB -0.286 32.218 32.500 0.006 0.000 0.899 393 K HN 0.375 nan 8.250 nan 0.000 0.473 394 G N 2.794 111.572 108.800 -0.037 0.000 2.162 394 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.260 394 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.260 394 G C -0.125 174.690 174.900 -0.143 0.000 0.976 394 G CA 0.288 45.335 45.100 -0.089 0.000 0.655 394 G HN 0.700 nan 8.290 nan 0.000 0.533 395 D N -0.758 119.586 120.400 -0.093 0.000 2.326 395 D HA 0.638 5.278 4.640 -0.000 0.000 0.251 395 D C 0.611 176.859 176.300 -0.087 0.000 1.023 395 D CA -0.844 53.095 54.000 -0.102 0.000 0.966 395 D CB 0.565 41.346 40.800 -0.032 0.000 1.156 395 D HN -0.014 nan 8.370 nan 0.000 0.494 396 F N 0.136 120.112 119.950 0.043 0.000 2.496 396 F HA 0.194 4.720 4.527 -0.001 0.000 0.344 396 F C 0.708 176.577 175.800 0.116 0.000 1.155 396 F CA -0.308 57.724 58.000 0.054 0.000 1.302 396 F CB 0.746 39.763 39.000 0.027 0.000 1.159 396 F HN -0.089 nan 8.300 nan 0.000 0.595 397 V N 2.541 122.640 119.914 0.308 0.000 2.347 397 V HA 0.080 4.200 4.120 -0.000 0.000 0.280 397 V C -0.029 176.169 176.094 0.173 0.000 1.021 397 V CA -0.970 61.470 62.300 0.234 0.000 0.847 397 V CB 1.150 33.023 31.823 0.084 0.000 0.990 397 V HN 0.653 nan 8.190 nan 0.000 0.444 398 D N 6.635 127.142 120.400 0.177 0.000 2.455 398 D HA 0.067 4.707 4.640 -0.000 0.000 0.241 398 D C -1.573 174.761 176.300 0.056 0.000 1.138 398 D CA -1.118 52.941 54.000 0.100 0.000 0.877 398 D CB 2.145 43.008 40.800 0.106 0.000 1.187 398 D HN 0.241 nan 8.370 nan 0.000 0.451 399 P HA -0.101 nan 4.420 nan 0.000 0.221 399 P C 1.494 178.788 177.300 -0.010 0.000 1.145 399 P CA 0.735 63.836 63.100 0.001 0.000 0.795 399 P CB -0.127 31.566 31.700 -0.013 0.000 0.775 400 C N -2.541 116.758 119.300 -0.002 0.000 2.472 400 C HA 0.076 4.535 4.460 -0.000 0.000 0.278 400 C C 2.215 177.183 174.990 -0.036 0.000 1.447 400 C CA -0.060 58.942 59.018 -0.028 0.000 1.773 400 C CB -2.094 25.634 27.740 -0.020 0.000 1.793 400 C HN 0.100 nan 8.230 nan 0.000 0.544 401 L N 1.425 122.648 121.223 0.001 0.000 2.599 401 L HA 0.268 4.608 4.340 -0.000 0.000 0.230 401 L C 2.103 178.946 176.870 -0.045 0.000 1.141 401 L CA 0.649 55.487 54.840 -0.003 0.000 0.877 401 L CB -1.170 40.913 42.059 0.040 0.000 1.009 401 L HN 0.717 nan 8.230 nan 0.000 0.447 402 G N 0.989 109.760 108.800 -0.047 0.000 2.596 402 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.295 402 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.295 402 G C 0.275 175.146 174.900 -0.048 0.000 1.240 402 G CA 0.403 45.473 45.100 -0.051 0.000 0.985 402 G HN 0.318 nan 8.290 nan 0.000 0.555 403 D N 0.552 120.923 120.400 -0.049 0.000 2.340 403 D HA 0.190 4.830 4.640 -0.000 0.000 0.217 403 D C 2.320 178.577 176.300 -0.072 0.000 1.081 403 D CA 0.242 54.212 54.000 -0.051 0.000 0.842 403 D CB 0.398 41.176 40.800 -0.037 0.000 0.934 403 D HN 0.286 nan 8.370 nan 0.000 0.511 404 L N 1.037 122.208 121.223 -0.086 0.000 1.997 404 L HA -0.234 4.106 4.340 -0.000 0.000 0.216 404 L C 1.787 178.588 176.870 -0.115 0.000 1.074 404 L CA 1.700 56.473 54.840 -0.113 0.000 0.763 404 L CB -0.352 41.640 42.059 -0.111 0.000 0.890 404 L HN -0.057 nan 8.230 nan 0.000 0.434 405 I N -0.820 119.660 120.570 -0.150 0.000 2.252 405 I HA -0.262 3.907 4.170 -0.000 0.000 0.245 405 I C 2.586 178.625 176.117 -0.129 0.000 1.102 405 I CA 1.432 62.608 61.300 -0.207 0.000 1.385 405 I CB -1.471 36.298 38.000 -0.385 0.000 1.064 405 I HN 0.388 nan 8.210 nan 0.000 0.414 406 L N 0.596 121.759 121.223 -0.101 0.000 2.012 406 L HA -0.223 4.116 4.340 -0.000 0.000 0.210 406 L C 2.560 179.394 176.870 -0.060 0.000 1.073 406 L CA 1.701 56.499 54.840 -0.069 0.000 0.748 406 L CB -0.162 41.865 42.059 -0.053 0.000 0.891 406 L HN 0.068 nan 8.230 nan 0.000 0.431 407 I N -0.494 120.036 120.570 -0.067 0.000 2.226 407 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 407 I C 2.350 178.420 176.117 -0.079 0.000 1.100 407 I CA 1.229 62.489 61.300 -0.066 0.000 1.374 407 I CB -0.183 37.767 38.000 -0.084 0.000 1.057 407 I HN 0.295 nan 8.210 nan 0.000 0.413 408 L N 0.019 121.186 121.223 -0.092 0.000 2.141 408 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 408 L C 2.567 179.421 176.870 -0.027 0.000 1.094 408 L CA 1.151 55.949 54.840 -0.070 0.000 0.763 408 L CB -0.468 41.581 42.059 -0.017 0.000 0.908 408 L HN 0.154 nan 8.230 nan 0.000 0.437 409 R N -0.228 120.252 120.500 -0.033 0.000 2.189 409 R HA 0.028 4.368 4.340 -0.000 0.000 0.218 409 R C 0.515 176.791 176.300 -0.039 0.000 1.074 409 R CA 0.167 56.252 56.100 -0.026 0.000 0.991 409 R CB -0.191 30.087 30.300 -0.036 0.000 0.883 409 R HN 0.253 nan 8.270 nan 0.000 0.457 410 L N 2.483 123.678 121.223 -0.047 0.000 2.485 410 L HA 0.083 4.423 4.340 -0.000 0.000 0.275 410 L C -1.987 174.824 176.870 -0.098 0.000 1.207 410 L CA -1.830 52.971 54.840 -0.065 0.000 0.855 410 L CB -0.119 41.962 42.059 0.037 0.000 1.114 410 L HN -0.198 nan 8.230 nan 0.000 0.485 411 P HA -0.066 nan 4.420 nan 0.000 0.264 411 P C 0.596 177.742 177.300 -0.256 0.000 1.183 411 P CA 0.244 63.204 63.100 -0.233 0.000 0.763 411 P CB 0.812 32.220 31.700 -0.487 0.000 0.807 412 S N 3.803 119.462 115.700 -0.069 0.000 2.387 412 S HA -0.157 4.313 4.470 -0.000 0.000 0.230 412 S C 1.524 176.124 174.600 -0.001 0.000 1.035 412 S CA 1.388 59.579 58.200 -0.015 0.000 1.014 412 S CB -0.749 62.489 63.200 0.063 0.000 0.836 412 S HN 0.689 nan 8.310 nan 0.000 0.466 413 W N -0.173 121.174 121.300 0.079 0.000 2.392 413 W HA -0.071 4.589 4.660 -0.001 0.000 0.279 413 W C 1.741 178.328 176.519 0.113 0.000 1.225 413 W CA 0.457 57.848 57.345 0.077 0.000 1.233 413 W CB -1.083 28.423 29.460 0.076 0.000 1.122 413 W HN 0.404 nan 8.180 nan 0.000 0.561 414 F N 2.521 121.857 119.950 -1.022 0.000 2.270 414 F HA 0.091 4.618 4.527 -0.000 0.000 0.295 414 F C 2.466 178.036 175.800 -0.384 0.000 1.087 414 F CA 1.503 58.935 58.000 -0.946 0.000 1.365 414 F CB -0.381 37.826 39.000 -1.322 0.000 1.056 414 F HN -0.316 nan 8.300 nan 0.000 0.506 415 K N 0.087 120.304 120.400 -0.304 0.000 2.074 415 K HA -0.268 4.052 4.320 -0.000 0.000 0.209 415 K C 2.324 178.789 176.600 -0.225 0.000 1.048 415 K CA 1.889 58.026 56.287 -0.249 0.000 0.926 415 K CB -0.323 32.097 32.500 -0.133 0.000 0.713 415 K HN 0.226 nan 8.250 nan 0.000 0.444 416 R N 1.022 121.442 120.500 -0.133 0.000 2.066 416 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 416 R C 2.380 178.630 176.300 -0.084 0.000 1.131 416 R CA 1.141 57.205 56.100 -0.060 0.000 0.955 416 R CB -0.284 30.035 30.300 0.033 0.000 0.851 416 R HN 0.115 nan 8.270 nan 0.000 0.432 417 L N 0.945 122.107 121.223 -0.101 0.000 1.989 417 L HA -0.164 4.175 4.340 -0.000 0.000 0.211 417 L C 2.124 178.856 176.870 -0.231 0.000 1.071 417 L CA 1.604 56.382 54.840 -0.104 0.000 0.749 417 L CB -0.689 41.358 42.059 -0.020 0.000 0.890 417 L HN 0.278 nan 8.230 nan 0.000 0.431 418 L N -1.030 119.911 121.223 -0.470 0.000 2.083 418 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 418 L C 2.712 179.448 176.870 -0.224 0.000 1.083 418 L CA 2.018 56.604 54.840 -0.424 0.000 0.752 418 L CB -0.951 40.736 42.059 -0.620 0.000 0.899 418 L HN 0.497 nan 8.230 nan 0.000 0.433 419 S N -1.091 114.497 115.700 -0.186 0.000 2.359 419 S HA -0.171 4.298 4.470 -0.000 0.000 0.224 419 S C 1.986 176.542 174.600 -0.073 0.000 1.035 419 S CA 1.476 59.612 58.200 -0.107 0.000 1.018 419 S CB -0.301 62.851 63.200 -0.081 0.000 0.876 419 S HN 0.342 nan 8.310 nan 0.000 0.448 420 L N 1.148 122.330 121.223 -0.067 0.000 2.042 420 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 420 L C 2.240 179.087 176.870 -0.039 0.000 1.076 420 L CA 1.347 56.163 54.840 -0.041 0.000 0.749 420 L CB -1.215 40.829 42.059 -0.026 0.000 0.893 420 L HN 0.315 nan 8.230 nan 0.000 0.432 421 L N -1.361 119.831 121.223 -0.053 0.000 2.046 421 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 421 L C 2.371 179.227 176.870 -0.024 0.000 1.077 421 L CA 1.574 56.391 54.840 -0.038 0.000 0.747 421 L CB -0.810 41.221 42.059 -0.047 0.000 0.896 421 L HN 0.171 nan 8.230 nan 0.000 0.432 422 L N -1.153 120.054 121.223 -0.025 0.000 2.217 422 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 422 L C 2.498 179.372 176.870 0.008 0.000 1.107 422 L CA 0.697 55.552 54.840 0.024 0.000 0.783 422 L CB -0.500 41.562 42.059 0.005 0.000 0.919 422 L HN 0.269 nan 8.230 nan 0.000 0.442 423 K N 0.684 121.072 120.400 -0.020 0.000 2.034 423 K HA -0.210 4.110 4.320 -0.000 0.000 0.214 423 K C -0.411 176.163 176.600 -0.045 0.000 1.051 423 K CA 1.950 58.223 56.287 -0.023 0.000 0.931 423 K CB -0.793 31.695 32.500 -0.020 0.000 0.715 423 K HN 0.176 nan 8.250 nan 0.000 0.446 424 P HA -0.168 nan 4.420 nan 0.000 0.215 424 P C 1.029 178.228 177.300 -0.169 0.000 1.153 424 P CA 1.060 64.105 63.100 -0.091 0.000 0.853 424 P CB 0.139 31.789 31.700 -0.083 0.000 0.788 425 L N -3.241 117.815 121.223 -0.278 0.000 2.357 425 L HA 0.157 4.497 4.340 -0.000 0.000 0.211 425 L C 0.760 177.134 176.870 -0.827 0.000 1.075 425 L CA 1.181 55.646 54.840 -0.626 0.000 0.830 425 L CB -0.709 40.814 42.059 -0.894 0.000 0.996 425 L HN -0.041 nan 8.230 nan 0.000 0.467 426 F N -0.365 119.541 119.950 -0.073 0.000 2.593 426 F HA 0.293 4.819 4.527 -0.001 0.000 0.336 426 F C -1.584 174.128 175.800 -0.147 0.000 1.491 426 F CA -1.270 56.655 58.000 -0.125 0.000 1.114 426 F CB 0.547 39.434 39.000 -0.188 0.000 1.468 426 F HN -0.133 nan 8.300 nan 0.000 0.579 427 P HA -0.245 nan 4.420 nan 0.000 0.216 427 P C 1.837 179.116 177.300 -0.036 0.000 1.154 427 P CA 1.566 64.673 63.100 0.012 0.000 0.865 427 P CB 0.199 31.938 31.700 0.065 0.000 0.789 428 R N -0.183 120.214 120.500 -0.172 0.000 2.073 428 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 428 R C 2.323 178.503 176.300 -0.201 0.000 1.134 428 R CA 1.342 57.287 56.100 -0.258 0.000 0.952 428 R CB -0.906 28.917 30.300 -0.794 0.000 0.850 428 R HN 0.126 nan 8.270 nan 0.000 0.433 429 L N 0.261 121.215 121.223 -0.448 0.000 2.017 429 L HA -0.128 4.211 4.340 -0.000 0.000 0.208 429 L C 2.770 179.555 176.870 -0.142 0.000 1.073 429 L CA 1.346 55.897 54.840 -0.481 0.000 0.745 429 L CB -0.732 41.000 42.059 -0.546 0.000 0.894 429 L HN 0.332 nan 8.230 nan 0.000 0.432 430 A N 0.277 123.046 122.820 -0.086 0.000 1.908 430 A HA -0.209 4.110 4.320 -0.000 0.000 0.218 430 A C 2.553 180.139 177.584 0.004 0.000 1.181 430 A CA 1.994 54.008 52.037 -0.039 0.000 0.627 430 A CB -0.744 18.241 19.000 -0.024 0.000 0.818 430 A HN 0.421 nan 8.150 nan 0.000 0.445 431 A N -1.405 121.443 122.820 0.046 0.000 1.898 431 A HA 0.013 4.332 4.320 -0.000 0.000 0.216 431 A C 2.026 179.654 177.584 0.073 0.000 1.181 431 A CA 1.388 53.459 52.037 0.057 0.000 0.620 431 A CB -0.738 18.308 19.000 0.078 0.000 0.819 431 A HN 0.487 nan 8.150 nan 0.000 0.442 432 F N -0.889 119.059 119.950 -0.004 0.000 2.102 432 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 432 F C 2.132 177.910 175.800 -0.038 0.000 1.105 432 F CA 1.296 59.317 58.000 0.036 0.000 1.239 432 F CB -0.204 38.906 39.000 0.182 0.000 0.991 432 F HN 0.233 nan 8.300 nan 0.000 0.474 433 L N 0.627 121.915 121.223 0.109 0.000 2.046 433 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 433 L C 1.994 178.841 176.870 -0.040 0.000 1.077 433 L CA 1.726 56.560 54.840 -0.010 0.000 0.747 433 L CB -1.166 40.858 42.059 -0.058 0.000 0.896 433 L HN 0.047 nan 8.230 nan 0.000 0.432 434 N N -0.361 118.322 118.700 -0.028 0.000 2.223 434 N HA -0.163 4.577 4.740 -0.000 0.000 0.185 434 N C 1.333 176.825 175.510 -0.030 0.000 1.016 434 N CA 1.222 54.253 53.050 -0.032 0.000 0.863 434 N CB -0.170 38.303 38.487 -0.023 0.000 0.983 434 N HN 0.398 nan 8.380 nan 0.000 0.429 435 N N -0.372 118.302 118.700 -0.044 0.000 2.322 435 N HA 0.092 4.831 4.740 -0.000 0.000 0.194 435 N C 0.174 175.674 175.510 -0.017 0.000 1.126 435 N CA 0.159 53.179 53.050 -0.050 0.000 0.845 435 N CB 0.234 38.651 38.487 -0.116 0.000 0.976 435 N HN 0.405 nan 8.380 nan 0.000 0.475 436 M N 0.196 119.775 119.600 -0.034 0.000 2.475 436 M HA 0.160 4.640 4.480 -0.000 0.000 0.261 436 M C 0.037 176.333 176.300 -0.006 0.000 1.177 436 M CA 0.006 55.278 55.300 -0.046 0.000 0.979 436 M CB 0.484 32.935 32.600 -0.247 0.000 1.482 436 M HN -0.178 nan 8.290 nan 0.000 0.484 437 R N 1.643 122.149 120.500 0.009 0.000 2.500 437 R HA 0.354 4.694 4.340 -0.000 0.000 0.275 437 R C -2.318 174.013 176.300 0.051 0.000 1.051 437 R CA -1.564 54.549 56.100 0.021 0.000 1.088 437 R CB 0.123 30.431 30.300 0.012 0.000 1.063 437 R HN -0.054 nan 8.270 nan 0.000 0.511 438 P HA 0.123 nan 4.420 nan 0.000 0.274 438 P C -1.105 176.222 177.300 0.046 0.000 1.237 438 P CA -0.163 62.974 63.100 0.062 0.000 0.793 438 P CB 0.919 32.657 31.700 0.063 0.000 0.977 439 R N -0.623 119.900 120.500 0.038 0.000 2.766 439 R HA 0.556 4.896 4.340 -0.000 0.000 0.270 439 R C -0.598 175.703 176.300 0.000 0.000 1.035 439 R CA -0.822 55.290 56.100 0.020 0.000 0.911 439 R CB 0.374 30.687 30.300 0.021 0.000 1.243 439 R HN 0.474 nan 8.270 nan 0.000 0.460 440 S N -0.124 115.562 115.700 -0.023 0.000 2.600 440 S HA 0.321 4.791 4.470 -0.000 0.000 0.265 440 S C 1.383 175.919 174.600 -0.107 0.000 1.325 440 S CA -0.199 57.963 58.200 -0.064 0.000 1.002 440 S CB 1.351 64.504 63.200 -0.079 0.000 0.921 440 S HN 0.818 nan 8.310 nan 0.000 0.554 441 A N 0.420 123.131 122.820 -0.182 0.000 1.940 441 A HA -0.140 4.179 4.320 -0.000 0.000 0.219 441 A C 2.133 179.413 177.584 -0.507 0.000 1.176 441 A CA 1.796 53.640 52.037 -0.321 0.000 0.631 441 A CB -1.186 17.571 19.000 -0.405 0.000 0.814 441 A HN 1.015 nan 8.150 nan 0.000 0.446 442 E N -0.254 119.693 120.200 -0.423 0.000 2.058 442 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 442 E C 1.706 178.251 176.600 -0.092 0.000 0.997 442 E CA 1.360 57.562 56.400 -0.330 0.000 0.801 442 E CB -0.034 29.548 29.700 -0.197 0.000 0.746 442 E HN 0.373 nan 8.360 nan 0.000 0.450 443 K N 0.428 120.796 120.400 -0.054 0.000 2.148 443 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 443 K C 2.166 178.802 176.600 0.060 0.000 1.050 443 K CA 0.420 56.719 56.287 0.020 0.000 0.942 443 K CB -0.415 32.093 32.500 0.012 0.000 0.724 443 K HN 0.208 nan 8.250 nan 0.000 0.446 444 L N 0.089 121.335 121.223 0.039 0.000 2.056 444 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 444 L C 1.862 178.882 176.870 0.249 0.000 1.078 444 L CA 1.575 56.479 54.840 0.106 0.000 0.749 444 L CB -0.702 41.406 42.059 0.082 0.000 0.901 444 L HN 0.129 nan 8.230 nan 0.000 0.433 445 W N 0.755 122.077 121.300 0.036 0.000 2.318 445 W HA -0.257 4.403 4.660 -0.000 0.000 0.313 445 W C 2.822 179.382 176.519 0.068 0.000 1.221 445 W CA 1.862 59.233 57.345 0.043 0.000 1.266 445 W CB -1.168 28.308 29.460 0.027 0.000 1.150 445 W HN 0.268 nan 8.180 nan 0.000 0.496 446 K N 0.029 120.615 120.400 0.310 0.000 2.063 446 K HA -0.221 4.098 4.320 -0.000 0.000 0.208 446 K C 2.133 178.853 176.600 0.199 0.000 1.048 446 K CA 1.728 58.153 56.287 0.229 0.000 0.928 446 K CB -0.634 31.964 32.500 0.164 0.000 0.713 446 K HN 0.048 nan 8.250 nan 0.000 0.442 447 L N 1.532 122.845 121.223 0.150 0.000 2.046 447 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 447 L C 2.447 179.372 176.870 0.092 0.000 1.077 447 L CA 1.875 56.771 54.840 0.092 0.000 0.747 447 L CB -0.667 41.424 42.059 0.053 0.000 0.896 447 L HN 0.302 nan 8.230 nan 0.000 0.432 448 Q N -1.219 118.662 119.800 0.135 0.000 2.170 448 Q HA -0.268 4.072 4.340 -0.000 0.000 0.203 448 Q C 2.277 178.354 176.000 0.128 0.000 0.976 448 Q CA 1.993 57.863 55.803 0.112 0.000 0.858 448 Q CB -0.561 28.251 28.738 0.123 0.000 0.907 448 Q HN 0.748 nan 8.270 nan 0.000 0.433 449 H N -0.315 118.794 119.070 0.064 0.000 2.395 449 H HA -0.025 4.531 4.556 -0.001 0.000 0.299 449 H C 1.410 176.783 175.328 0.076 0.000 1.070 449 H CA 1.389 57.470 56.048 0.055 0.000 1.356 449 H CB 0.402 30.198 29.762 0.057 0.000 1.401 449 H HN 0.442 nan 8.280 nan 0.000 0.524 450 E N 0.438 120.654 120.200 0.027 0.000 2.110 450 E HA -0.132 4.217 4.350 -0.000 0.000 0.193 450 E C 2.416 179.030 176.600 0.024 0.000 0.988 450 E CA 0.949 57.358 56.400 0.016 0.000 0.804 450 E CB 0.129 29.898 29.700 0.114 0.000 0.745 450 E HN 0.520 nan 8.360 nan 0.000 0.458 451 I N 1.251 121.826 120.570 0.009 0.000 2.179 451 I HA -0.287 3.882 4.170 -0.000 0.000 0.242 451 I C 2.720 178.865 176.117 0.046 0.000 1.088 451 I CA 1.229 62.542 61.300 0.022 0.000 1.357 451 I CB -0.256 37.742 38.000 -0.004 0.000 1.051 451 I HN 0.165 nan 8.210 nan 0.000 0.409 452 E N 1.215 121.418 120.200 0.006 0.000 2.051 452 E HA -0.249 4.101 4.350 -0.000 0.000 0.192 452 E C 2.358 178.940 176.600 -0.031 0.000 0.991 452 E CA 1.403 57.802 56.400 -0.002 0.000 0.799 452 E CB -0.052 29.656 29.700 0.014 0.000 0.748 452 E HN 0.433 nan 8.360 nan 0.000 0.449 453 M N -0.378 119.154 119.600 -0.112 0.000 2.159 453 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 453 M C 2.247 178.565 176.300 0.029 0.000 1.063 453 M CA 1.374 56.624 55.300 -0.084 0.000 1.110 453 M CB -0.431 32.066 32.600 -0.171 0.000 1.374 453 M HN 0.237 nan 8.290 nan 0.000 0.411 454 Y N 0.873 121.158 120.300 -0.025 0.000 2.200 454 Y HA -0.207 4.343 4.550 -0.000 0.000 0.290 454 Y C 2.650 178.553 175.900 0.005 0.000 1.137 454 Y CA 1.615 59.723 58.100 0.013 0.000 1.163 454 Y CB -0.132 38.336 38.460 0.014 0.000 0.988 454 Y HN 0.056 nan 8.280 nan 0.000 0.518 455 R N -0.002 120.447 120.500 -0.085 0.000 2.096 455 R HA -0.227 4.113 4.340 -0.000 0.000 0.240 455 R C 2.238 178.507 176.300 -0.053 0.000 1.139 455 R CA 2.095 58.136 56.100 -0.097 0.000 0.952 455 R CB -0.195 30.122 30.300 0.028 0.000 0.854 455 R HN 0.396 nan 8.270 nan 0.000 0.436 456 Q N -0.104 119.679 119.800 -0.027 0.000 2.167 456 Q HA -0.118 4.221 4.340 -0.000 0.000 0.202 456 Q C 2.176 178.168 176.000 -0.013 0.000 0.970 456 Q CA 1.793 57.594 55.803 -0.003 0.000 0.855 456 Q CB -0.126 28.614 28.738 0.004 0.000 0.911 456 Q HN 0.469 nan 8.270 nan 0.000 0.438 457 S N -0.273 115.389 115.700 -0.063 0.000 2.368 457 S HA -0.087 4.383 4.470 -0.000 0.000 0.225 457 S C 2.102 176.670 174.600 -0.054 0.000 1.030 457 S CA 1.297 59.463 58.200 -0.056 0.000 0.999 457 S CB -0.489 62.681 63.200 -0.051 0.000 0.844 457 S HN 0.121 nan 8.310 nan 0.000 0.459 458 V N 1.885 121.704 119.914 -0.158 0.000 2.453 458 V HA -0.012 4.108 4.120 -0.000 0.000 0.247 458 V C 2.459 178.729 176.094 0.295 0.000 1.048 458 V CA 1.496 63.811 62.300 0.025 0.000 1.049 458 V CB -0.709 31.036 31.823 -0.131 0.000 0.672 458 V HN 0.488 nan 8.190 nan 0.000 0.457 459 I N 0.686 121.379 120.570 0.205 0.000 2.208 459 I HA -0.279 3.890 4.170 -0.000 0.000 0.245 459 I C 2.669 178.892 176.117 0.176 0.000 1.097 459 I CA 1.621 63.010 61.300 0.147 0.000 1.363 459 I CB -0.554 37.459 38.000 0.022 0.000 1.051 459 I HN 0.305 nan 8.210 nan 0.000 0.413 460 A N 0.077 122.977 122.820 0.133 0.000 1.933 460 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 460 A C 2.247 179.948 177.584 0.195 0.000 1.175 460 A CA 1.551 53.665 52.037 0.128 0.000 0.628 460 A CB -0.575 18.471 19.000 0.077 0.000 0.814 460 A HN 0.482 nan 8.150 nan 0.000 0.444 461 Q N -1.655 118.296 119.800 0.253 0.000 2.084 461 Q HA -0.196 4.143 4.340 -0.000 0.000 0.202 461 Q C 2.058 178.370 176.000 0.521 0.000 0.978 461 Q CA 1.433 57.438 55.803 0.336 0.000 0.844 461 Q CB -0.271 28.659 28.738 0.319 0.000 0.898 461 Q HN 0.918 nan 8.270 nan 0.000 0.426 462 W N 1.936 123.430 121.300 0.323 0.000 2.335 462 W HA -0.189 4.470 4.660 -0.001 0.000 0.311 462 W C 1.441 177.966 176.519 0.009 0.000 1.213 462 W CA 1.268 58.646 57.345 0.055 0.000 1.274 462 W CB -0.048 29.413 29.460 0.000 0.000 1.148 462 W HN 0.017 nan 8.180 nan 0.000 0.498 463 K N 0.478 121.104 120.400 0.377 0.000 2.097 463 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 463 K C 2.180 178.864 176.600 0.140 0.000 1.049 463 K CA 1.560 57.980 56.287 0.222 0.000 0.933 463 K CB -1.174 31.414 32.500 0.146 0.000 0.717 463 K HN 0.181 nan 8.250 nan 0.000 0.442 464 A N 0.727 123.635 122.820 0.147 0.000 2.019 464 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 464 A C 1.977 179.611 177.584 0.083 0.000 1.164 464 A CA 1.344 53.444 52.037 0.105 0.000 0.644 464 A CB -0.311 18.754 19.000 0.109 0.000 0.805 464 A HN 0.235 nan 8.150 nan 0.000 0.449 465 M N -1.498 118.153 119.600 0.085 0.000 2.428 465 M HA 0.138 4.618 4.480 -0.000 0.000 0.239 465 M C 0.464 176.740 176.300 -0.040 0.000 1.121 465 M CA 0.082 55.396 55.300 0.024 0.000 1.019 465 M CB -0.087 32.532 32.600 0.031 0.000 1.485 465 M HN 0.616 nan 8.290 nan 0.000 0.484 466 N N 1.920 120.614 118.700 -0.010 0.000 2.740 466 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 466 N C -0.911 174.536 175.510 -0.104 0.000 1.062 466 N CA -0.265 52.776 53.050 -0.014 0.000 0.704 466 N CB -0.601 37.881 38.487 -0.008 0.000 0.968 466 N HN 0.364 nan 8.380 nan 0.000 0.547 467 L N 0.191 121.244 121.223 -0.284 0.000 2.439 467 L HA 0.085 4.424 4.340 -0.000 0.000 0.269 467 L C 1.391 178.121 176.870 -0.234 0.000 1.179 467 L CA -0.206 54.304 54.840 -0.550 0.000 0.828 467 L CB 0.461 41.651 42.059 -1.448 0.000 1.106 467 L HN 0.177 nan 8.230 nan 0.000 0.467 468 D N 0.728 120.999 120.400 -0.215 0.000 2.259 468 D HA 0.066 4.706 4.640 -0.000 0.000 0.216 468 D C 0.341 176.658 176.300 0.028 0.000 0.961 468 D CA 1.045 55.023 54.000 -0.038 0.000 0.878 468 D CB 0.680 41.416 40.800 -0.107 0.000 1.009 468 D HN 0.361 nan 8.370 nan 0.000 0.490 469 V N -1.718 118.021 119.914 -0.293 0.000 3.202 469 V HA 0.687 4.806 4.120 -0.000 0.000 0.306 469 V C -1.662 174.102 176.094 -0.549 0.000 1.283 469 V CA -1.164 60.970 62.300 -0.276 0.000 1.065 469 V CB 2.662 34.134 31.823 -0.585 0.000 1.079 469 V HN -0.072 nan 8.190 nan 0.000 0.448 470 L N 1.802 122.877 121.223 -0.247 0.000 2.438 470 L HA 0.833 5.173 4.340 -0.000 0.000 0.270 470 L C -1.348 175.583 176.870 0.103 0.000 0.972 470 L CA -0.575 54.157 54.840 -0.180 0.000 0.831 470 L CB 1.580 43.578 42.059 -0.102 0.000 1.273 470 L HN 0.952 nan 8.230 nan 0.000 0.405 471 L N 4.929 126.227 121.223 0.125 0.000 2.296 471 L HA 0.890 5.230 4.340 -0.000 0.000 0.286 471 L C -0.199 176.636 176.870 -0.059 0.000 1.023 471 L CA 0.509 55.452 54.840 0.171 0.000 0.812 471 L CB 1.576 43.792 42.059 0.263 0.000 1.223 471 L HN 0.907 nan 8.230 nan 0.000 0.421 472 T N 2.450 116.915 114.554 -0.149 0.000 2.865 472 T HA 0.755 5.104 4.350 -0.000 0.000 0.294 472 T C -2.940 171.648 174.700 -0.187 0.000 1.119 472 T CA -2.077 59.805 62.100 -0.363 0.000 1.007 472 T CB 1.910 70.539 68.868 -0.399 0.000 1.225 472 T HN 0.348 nan 8.240 nan 0.000 0.515 473 P HA 0.450 nan 4.420 nan 0.000 0.272 473 P C -0.982 176.140 177.300 -0.296 0.000 1.230 473 P CA -0.607 62.327 63.100 -0.277 0.000 0.788 473 P CB 0.323 31.737 31.700 -0.477 0.000 0.949 474 M N 2.421 121.887 119.600 -0.223 0.000 2.393 474 M HA 0.406 4.886 4.480 -0.000 0.000 0.316 474 M C -1.459 174.806 176.300 -0.058 0.000 1.087 474 M CA -1.460 53.773 55.300 -0.112 0.000 0.937 474 M CB 1.110 33.679 32.600 -0.051 0.000 1.668 474 M HN 0.061 nan 8.290 nan 0.000 0.438 475 L N 4.725 126.002 121.223 0.091 0.000 2.601 475 L HA 0.533 4.872 4.340 -0.000 0.000 0.277 475 L C 0.109 177.185 176.870 0.343 0.000 1.219 475 L CA 1.579 56.580 54.840 0.269 0.000 0.915 475 L CB -0.455 41.910 42.059 0.511 0.000 1.160 475 L HN 0.879 nan 8.230 nan 0.000 0.494 476 G N 4.735 113.642 108.800 0.177 0.000 2.368 476 G HA2 0.396 4.355 3.960 -0.000 0.000 0.293 476 G HA3 0.396 4.355 3.960 -0.000 0.000 0.293 476 G C -3.299 171.559 174.900 -0.069 0.000 1.467 476 G CA -0.638 44.492 45.100 0.050 0.000 0.804 476 G HN 0.506 nan 8.290 nan 0.000 0.535 477 P HA 0.472 nan 4.420 nan 0.000 0.279 477 P C 0.411 177.397 177.300 -0.523 0.000 1.282 477 P CA 0.153 63.103 63.100 -0.250 0.000 0.788 477 P CB 0.656 32.226 31.700 -0.217 0.000 1.139 478 A N 0.357 122.758 122.820 -0.698 0.000 2.565 478 A HA 0.118 4.437 4.320 -0.000 0.000 0.237 478 A C 0.234 177.392 177.584 -0.710 0.000 1.053 478 A CA 0.185 51.505 52.037 -1.195 0.000 0.755 478 A CB -1.051 17.625 19.000 -0.540 0.000 0.980 478 A HN 0.405 nan 8.150 nan 0.000 0.506 479 L N 2.386 123.202 121.223 -0.678 0.000 2.417 479 L HA 0.209 4.549 4.340 -0.000 0.000 0.268 479 L C 0.479 177.254 176.870 -0.157 0.000 1.158 479 L CA 0.134 54.816 54.840 -0.262 0.000 0.819 479 L CB 0.315 42.313 42.059 -0.101 0.000 1.112 479 L HN 0.626 nan 8.230 nan 0.000 0.458 480 D N 1.576 121.908 120.400 -0.114 0.000 2.478 480 D HA 0.034 4.674 4.640 -0.000 0.000 0.234 480 D C 0.198 176.462 176.300 -0.059 0.000 1.154 480 D CA 0.115 54.070 54.000 -0.074 0.000 0.874 480 D CB 0.368 41.130 40.800 -0.063 0.000 1.198 480 D HN 0.278 nan 8.370 nan 0.000 0.455 481 L N 2.864 124.064 121.223 -0.038 0.000 2.543 481 L HA -0.134 4.206 4.340 -0.000 0.000 0.285 481 L C 1.193 178.033 176.870 -0.049 0.000 1.236 481 L CA 0.253 55.074 54.840 -0.032 0.000 0.871 481 L CB 0.022 42.070 42.059 -0.018 0.000 1.121 481 L HN 0.459 nan 8.230 nan 0.000 0.501 482 N N -0.006 118.657 118.700 -0.061 0.000 2.800 482 N HA -0.195 4.544 4.740 -0.000 0.000 0.250 482 N C 0.962 176.416 175.510 -0.093 0.000 1.078 482 N CA 1.349 54.356 53.050 -0.071 0.000 0.804 482 N CB -1.080 37.378 38.487 -0.049 0.000 1.135 482 N HN 0.945 nan 8.380 nan 0.000 0.565 483 T N -4.413 110.072 114.554 -0.116 0.000 3.000 483 T HA 0.182 4.532 4.350 -0.000 0.000 0.248 483 T C -1.215 173.360 174.700 -0.207 0.000 1.034 483 T CA 0.207 62.233 62.100 -0.123 0.000 1.060 483 T CB 0.006 68.823 68.868 -0.085 0.000 0.983 483 T HN -0.056 nan 8.240 nan 0.000 0.482 484 P HA 0.024 nan 4.420 nan 0.000 0.216 484 P C 1.867 178.809 177.300 -0.596 0.000 1.150 484 P CA 1.475 64.097 63.100 -0.796 0.000 0.837 484 P CB -0.671 30.175 31.700 -1.423 0.000 0.786 485 G N -0.512 108.058 108.800 -0.383 0.000 2.498 485 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 485 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 485 G C 1.368 176.156 174.900 -0.186 0.000 1.119 485 G CA 0.295 45.248 45.100 -0.244 0.000 0.766 485 G HN 0.305 nan 8.290 nan 0.000 0.552 486 R N -0.346 120.055 120.500 -0.166 0.000 2.472 486 R HA 0.411 4.750 4.340 -0.000 0.000 0.279 486 R C 0.540 176.780 176.300 -0.101 0.000 0.953 486 R CA 0.291 56.341 56.100 -0.083 0.000 1.088 486 R CB 0.852 31.132 30.300 -0.032 0.000 1.197 486 R HN 0.196 nan 8.270 nan 0.000 0.536 487 A N 0.496 123.178 122.820 -0.229 0.000 3.248 487 A HA 0.225 4.545 4.320 -0.000 0.000 0.315 487 A C 0.640 177.926 177.584 -0.497 0.000 0.974 487 A CA -0.448 51.434 52.037 -0.259 0.000 0.939 487 A CB 0.287 19.278 19.000 -0.015 0.000 1.061 487 A HN -0.016 nan 8.150 nan 0.000 0.481 488 T N -0.055 113.789 114.554 -1.183 0.000 2.833 488 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 488 T C 2.111 176.220 174.700 -0.986 0.000 1.054 488 T CA 2.051 63.520 62.100 -1.052 0.000 1.135 488 T CB -0.027 68.076 68.868 -1.275 0.000 0.869 488 T HN 0.713 nan 8.240 nan 0.000 0.466 489 G N 1.063 109.097 108.800 -1.277 0.000 2.462 489 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.220 489 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.220 489 G C 1.597 176.526 174.900 0.049 0.000 1.121 489 G CA 0.746 45.652 45.100 -0.324 0.000 0.758 489 G HN 0.590 nan 8.290 nan 0.000 0.559 490 A N 0.549 123.376 122.820 0.011 0.000 2.239 490 A HA 0.232 4.551 4.320 -0.000 0.000 0.209 490 A C 2.340 180.005 177.584 0.135 0.000 1.171 490 A CA 1.251 53.383 52.037 0.159 0.000 0.768 490 A CB -0.391 18.724 19.000 0.191 0.000 0.790 490 A HN 0.878 nan 8.150 nan 0.000 0.478 491 V N -1.273 118.667 119.914 0.043 0.000 3.444 491 V HA -0.101 4.019 4.120 -0.000 0.000 0.271 491 V C 2.028 178.202 176.094 0.133 0.000 1.188 491 V CA 1.703 64.101 62.300 0.163 0.000 1.168 491 V CB -1.416 30.492 31.823 0.142 0.000 0.810 491 V HN 0.626 nan 8.190 nan 0.000 0.500 492 S N 0.010 115.772 115.700 0.102 0.000 2.383 492 S HA -0.249 4.221 4.470 -0.000 0.000 0.229 492 S C 1.821 176.374 174.600 -0.078 0.000 1.030 492 S CA 1.728 59.898 58.200 -0.050 0.000 1.002 492 S CB -1.007 62.162 63.200 -0.052 0.000 0.829 492 S HN 0.626 nan 8.310 nan 0.000 0.467 493 Y N 3.060 123.464 120.300 0.173 0.000 2.242 493 Y HA -0.055 4.494 4.550 -0.001 0.000 0.291 493 Y C 3.272 179.272 175.900 0.166 0.000 1.137 493 Y CA 1.459 59.685 58.100 0.210 0.000 1.181 493 Y CB -0.948 37.639 38.460 0.211 0.000 0.989 493 Y HN 0.603 nan 8.280 nan 0.000 0.527 494 T N -3.350 111.293 114.554 0.149 0.000 2.983 494 T HA -0.088 4.261 4.350 -0.000 0.000 0.250 494 T C 1.906 176.618 174.700 0.020 0.000 1.037 494 T CA 0.753 62.865 62.100 0.019 0.000 1.142 494 T CB -0.525 68.120 68.868 -0.372 0.000 0.876 494 T HN 0.281 nan 8.240 nan 0.000 0.455 495 M N 0.616 120.206 119.600 -0.016 0.000 2.296 495 M HA 0.136 4.616 4.480 -0.000 0.000 0.265 495 M C 2.016 178.241 176.300 -0.126 0.000 1.064 495 M CA 0.896 56.173 55.300 -0.038 0.000 1.109 495 M CB -0.349 32.249 32.600 -0.002 0.000 1.396 495 M HN 0.258 nan 8.290 nan 0.000 0.430 496 L N -0.029 121.065 121.223 -0.216 0.000 2.081 496 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 496 L C 1.420 177.955 176.870 -0.560 0.000 1.080 496 L CA 2.053 56.635 54.840 -0.431 0.000 0.754 496 L CB -0.753 40.941 42.059 -0.609 0.000 0.893 496 L HN 0.365 nan 8.230 nan 0.000 0.433 497 Y N -1.206 119.064 120.300 -0.051 0.000 2.523 497 Y HA 0.046 4.596 4.550 -0.001 0.000 0.279 497 Y C 2.149 178.002 175.900 -0.078 0.000 1.139 497 Y CA 0.745 58.795 58.100 -0.083 0.000 1.296 497 Y CB -0.699 37.764 38.460 0.007 0.000 1.045 497 Y HN 0.338 nan 8.280 nan 0.000 0.538 498 N N -1.041 117.658 118.700 -0.002 0.000 2.250 498 N HA -0.158 4.582 4.740 -0.000 0.000 0.181 498 N C 1.899 177.368 175.510 -0.067 0.000 1.017 498 N CA 1.236 54.269 53.050 -0.030 0.000 0.866 498 N CB -0.541 37.921 38.487 -0.042 0.000 0.985 498 N HN 0.304 nan 8.380 nan 0.000 0.429 499 C N 0.657 119.891 119.300 -0.109 0.000 2.413 499 C HA 0.005 4.465 4.460 -0.000 0.000 0.277 499 C C 2.217 177.154 174.990 -0.088 0.000 1.228 499 C CA 0.706 59.656 59.018 -0.113 0.000 1.731 499 C CB -1.171 26.473 27.740 -0.160 0.000 2.042 499 C HN 0.432 nan 8.230 nan 0.000 0.468 500 L N 0.206 121.327 121.223 -0.169 0.000 2.376 500 L HA 0.026 4.366 4.340 -0.000 0.000 0.219 500 L C 0.898 177.721 176.870 -0.078 0.000 1.133 500 L CA 1.277 55.950 54.840 -0.278 0.000 0.816 500 L CB -0.559 40.982 42.059 -0.863 0.000 0.933 500 L HN 0.398 nan 8.230 nan 0.000 0.449 501 D N 0.200 120.593 120.400 -0.012 0.000 2.737 501 D HA -0.258 4.382 4.640 -0.000 0.000 0.238 501 D C -0.490 175.943 176.300 0.222 0.000 1.157 501 D CA 0.652 54.679 54.000 0.046 0.000 0.694 501 D CB -1.158 39.630 40.800 -0.021 0.000 1.021 501 D HN 0.167 nan 8.370 nan 0.000 0.420 502 F N -0.017 119.910 119.950 -0.038 0.000 2.458 502 F HA 0.474 5.000 4.527 -0.000 0.000 0.330 502 F C -1.443 174.306 175.800 -0.084 0.000 1.082 502 F CA -2.488 55.458 58.000 -0.090 0.000 0.995 502 F CB 1.925 40.930 39.000 0.008 0.000 1.170 502 F HN -0.129 nan 8.300 nan 0.000 0.478 503 P HA 0.184 nan 4.420 nan 0.000 0.271 503 P C -1.381 175.939 177.300 0.034 0.000 1.216 503 P CA -0.067 63.038 63.100 0.008 0.000 0.776 503 P CB 1.264 32.947 31.700 -0.029 0.000 0.881 504 A N 2.246 125.076 122.820 0.016 0.000 2.437 504 A HA 0.727 5.046 4.320 -0.000 0.000 0.293 504 A C -0.372 177.202 177.584 -0.017 0.000 1.038 504 A CA -0.418 51.606 52.037 -0.021 0.000 0.708 504 A CB 1.551 20.526 19.000 -0.040 0.000 1.251 504 A HN 0.598 nan 8.150 nan 0.000 0.409 505 G N -0.103 108.683 108.800 -0.023 0.000 2.630 505 G HA2 0.828 4.787 3.960 -0.000 0.000 0.296 505 G HA3 0.828 4.787 3.960 -0.000 0.000 0.296 505 G C -0.666 174.202 174.900 -0.055 0.000 1.285 505 G CA -0.081 45.001 45.100 -0.029 0.000 0.958 505 G HN 1.959 nan 8.290 nan 0.000 0.479 506 V N -2.178 117.703 119.914 -0.054 0.000 2.823 506 V HA 0.883 5.003 4.120 -0.000 0.000 0.312 506 V C -0.779 175.281 176.094 -0.057 0.000 1.072 506 V CA -1.053 61.208 62.300 -0.064 0.000 0.937 506 V CB 1.597 33.386 31.823 -0.057 0.000 1.013 506 V HN 0.643 nan 8.190 nan 0.000 0.430 507 V N 3.686 123.556 119.914 -0.074 0.000 2.577 507 V HA 0.508 4.627 4.120 -0.000 0.000 0.303 507 V C -2.616 173.445 176.094 -0.055 0.000 1.042 507 V CA -1.822 60.439 62.300 -0.065 0.000 0.872 507 V CB 2.085 33.845 31.823 -0.106 0.000 0.998 507 V HN 0.873 nan 8.190 nan 0.000 0.423 508 P HA 0.144 nan 4.420 nan 0.000 0.267 508 P C 0.482 177.755 177.300 -0.045 0.000 1.205 508 P CA 0.239 63.317 63.100 -0.036 0.000 0.765 508 P CB 0.957 32.648 31.700 -0.015 0.000 0.828 509 V N 0.007 119.887 119.914 -0.056 0.000 3.497 509 V HA 0.349 4.469 4.120 -0.000 0.000 0.272 509 V C 0.419 176.484 176.094 -0.047 0.000 1.474 509 V CA 0.678 62.947 62.300 -0.052 0.000 1.025 509 V CB 0.404 32.190 31.823 -0.062 0.000 0.820 509 V HN 0.579 nan 8.190 nan 0.000 0.437 510 T N 0.568 115.085 114.554 -0.061 0.000 2.653 510 T HA 0.604 4.954 4.350 -0.000 0.000 0.306 510 T C -1.024 173.619 174.700 -0.094 0.000 1.426 510 T CA 0.586 62.651 62.100 -0.060 0.000 1.008 510 T CB 1.632 70.471 68.868 -0.049 0.000 1.692 510 T HN 0.850 nan 8.240 nan 0.000 0.483 511 T N -0.629 113.872 114.554 -0.089 0.000 2.906 511 T HA 0.686 5.035 4.350 -0.000 0.000 0.295 511 T C -0.492 174.153 174.700 -0.091 0.000 1.061 511 T CA -0.701 61.324 62.100 -0.125 0.000 1.000 511 T CB 1.161 69.957 68.868 -0.120 0.000 1.103 511 T HN 0.515 nan 8.240 nan 0.000 0.486 512 V N 3.553 123.403 119.914 -0.107 0.000 2.540 512 V HA 0.297 4.417 4.120 -0.000 0.000 0.297 512 V C 1.421 177.484 176.094 -0.051 0.000 1.024 512 V CA 0.036 62.289 62.300 -0.078 0.000 1.105 512 V CB -0.033 31.734 31.823 -0.093 0.000 0.938 512 V HN 1.192 nan 8.190 nan 0.000 0.482 513 T N 2.519 117.052 114.554 -0.036 0.000 2.902 513 T HA 0.574 4.924 4.350 -0.000 0.000 0.280 513 T C 1.311 175.999 174.700 -0.019 0.000 0.992 513 T CA -0.135 61.952 62.100 -0.021 0.000 1.015 513 T CB 1.720 70.579 68.868 -0.014 0.000 1.044 513 T HN 0.715 nan 8.240 nan 0.000 0.520 514 A N 0.314 123.127 122.820 -0.012 0.000 1.908 514 A HA -0.126 4.193 4.320 -0.000 0.000 0.218 514 A C 2.268 179.847 177.584 -0.008 0.000 1.181 514 A CA 2.034 54.065 52.037 -0.010 0.000 0.627 514 A CB -1.189 17.809 19.000 -0.004 0.000 0.818 514 A HN 1.058 nan 8.150 nan 0.000 0.445 515 E N -0.098 120.099 120.200 -0.005 0.000 2.038 515 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 515 E C 1.318 177.916 176.600 -0.002 0.000 1.000 515 E CA 1.584 57.984 56.400 -0.001 0.000 0.803 515 E CB -0.233 29.468 29.700 0.001 0.000 0.750 515 E HN 0.568 nan 8.360 nan 0.000 0.448 516 D N 0.360 120.756 120.400 -0.008 0.000 2.149 516 D HA -0.177 4.462 4.640 -0.000 0.000 0.198 516 D C 1.611 177.901 176.300 -0.016 0.000 0.990 516 D CA 1.508 55.503 54.000 -0.010 0.000 0.839 516 D CB -0.398 40.388 40.800 -0.023 0.000 0.948 516 D HN 0.314 nan 8.370 nan 0.000 0.460 517 D N -0.023 120.364 120.400 -0.023 0.000 2.123 517 D HA 0.000 4.640 4.640 -0.000 0.000 0.200 517 D C 2.009 178.297 176.300 -0.020 0.000 0.976 517 D CA 1.314 55.295 54.000 -0.031 0.000 0.831 517 D CB 0.014 40.794 40.800 -0.034 0.000 0.974 517 D HN 0.065 nan 8.370 nan 0.000 0.469 518 A N 0.144 122.958 122.820 -0.009 0.000 1.978 518 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 518 A C 2.077 179.666 177.584 0.008 0.000 1.170 518 A CA 1.512 53.548 52.037 -0.001 0.000 0.636 518 A CB -0.714 18.287 19.000 0.002 0.000 0.810 518 A HN 0.336 nan 8.150 nan 0.000 0.448 519 Q N -1.276 118.531 119.800 0.013 0.000 2.364 519 Q HA -0.048 4.292 4.340 -0.000 0.000 0.207 519 Q C 1.776 177.805 176.000 0.048 0.000 0.970 519 Q CA 0.812 56.633 55.803 0.030 0.000 0.888 519 Q CB -0.175 28.583 28.738 0.034 0.000 0.951 519 Q HN 0.518 nan 8.270 nan 0.000 0.469 520 M N 0.420 120.033 119.600 0.021 0.000 2.358 520 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 520 M C 1.367 177.701 176.300 0.057 0.000 1.064 520 M CA 1.233 56.542 55.300 0.015 0.000 1.093 520 M CB -0.398 32.163 32.600 -0.066 0.000 1.401 520 M HN 0.159 nan 8.290 nan 0.000 0.440 521 E N 0.019 120.244 120.200 0.041 0.000 2.268 521 E HA -0.048 4.301 4.350 -0.000 0.000 0.195 521 E C 1.878 178.516 176.600 0.064 0.000 0.995 521 E CA 0.825 57.252 56.400 0.044 0.000 0.836 521 E CB -0.162 29.554 29.700 0.026 0.000 0.763 521 E HN 0.520 nan 8.360 nan 0.000 0.491 522 L N -0.141 121.127 121.223 0.076 0.000 2.607 522 L HA 0.107 4.446 4.340 -0.000 0.000 0.228 522 L C 0.594 177.519 176.870 0.091 0.000 1.123 522 L CA -0.341 54.540 54.840 0.067 0.000 0.890 522 L CB -0.114 41.975 42.059 0.049 0.000 1.103 522 L HN 0.017 nan 8.230 nan 0.000 0.468 523 Y N 1.641 121.934 120.300 -0.012 0.000 2.402 523 Y HA 0.036 4.586 4.550 -0.001 0.000 0.333 523 Y C 1.111 176.995 175.900 -0.027 0.000 1.076 523 Y CA 0.319 58.404 58.100 -0.025 0.000 1.299 523 Y CB 0.609 39.056 38.460 -0.022 0.000 1.197 523 Y HN -0.060 nan 8.280 nan 0.000 0.517 524 K N 4.158 124.343 120.400 -0.359 0.000 2.435 524 K HA 0.334 4.653 4.320 -0.000 0.000 0.199 524 K C 0.470 176.864 176.600 -0.343 0.000 1.153 524 K CA 0.416 56.567 56.287 -0.227 0.000 0.974 524 K CB 0.620 33.029 32.500 -0.152 0.000 0.997 524 K HN 0.973 nan 8.250 nan 0.000 0.547 525 G N 0.937 109.251 108.800 -0.809 0.000 2.787 525 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.685 525 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.685 525 G C -0.185 174.444 174.900 -0.450 0.000 1.437 525 G CA -0.492 44.258 45.100 -0.584 0.000 0.872 525 G HN 0.139 nan 8.290 nan 0.000 0.566 526 Y N -0.139 120.050 120.300 -0.185 0.000 2.519 526 Y HA 0.357 4.907 4.550 -0.000 0.000 0.287 526 Y C 2.346 177.939 175.900 -0.512 0.000 1.128 526 Y CA 1.177 59.044 58.100 -0.389 0.000 1.282 526 Y CB -0.051 38.064 38.460 -0.575 0.000 1.027 526 Y HN 0.464 nan 8.280 nan 0.000 0.551 527 F N -1.946 118.031 119.950 0.045 0.000 2.637 527 F HA 0.370 4.897 4.527 -0.001 0.000 0.284 527 F C 2.049 177.874 175.800 0.043 0.000 1.105 527 F CA 0.560 58.577 58.000 0.029 0.000 1.356 527 F CB 0.038 39.036 39.000 -0.004 0.000 1.096 527 F HN -0.062 nan 8.300 nan 0.000 0.616 528 G N 1.254 110.179 108.800 0.209 0.000 2.148 528 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.254 528 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.254 528 G C -0.181 174.841 174.900 0.204 0.000 0.981 528 G CA 0.468 45.663 45.100 0.158 0.000 0.670 528 G HN 0.442 nan 8.290 nan 0.000 0.528 529 D N -0.606 119.909 120.400 0.191 0.000 2.447 529 D HA 0.476 5.115 4.640 -0.000 0.000 0.265 529 D C 1.596 177.817 176.300 -0.131 0.000 1.250 529 D CA -0.585 53.411 54.000 -0.007 0.000 1.046 529 D CB 0.171 40.884 40.800 -0.144 0.000 1.095 529 D HN 0.170 nan 8.370 nan 0.000 0.555 530 I N -0.688 119.672 120.570 -0.349 0.000 2.264 530 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 530 I C 1.415 177.566 176.117 0.055 0.000 1.111 530 I CA 1.229 62.422 61.300 -0.178 0.000 1.382 530 I CB -0.314 37.539 38.000 -0.245 0.000 1.060 530 I HN 0.404 nan 8.210 nan 0.000 0.418 531 W N 0.772 122.005 121.300 -0.112 0.000 2.363 531 W HA -0.144 4.515 4.660 -0.001 0.000 0.296 531 W C 2.381 178.909 176.519 0.016 0.000 1.212 531 W CA 0.966 58.271 57.345 -0.067 0.000 1.260 531 W CB -1.438 27.953 29.460 -0.114 0.000 1.131 531 W HN 0.194 nan 8.180 nan 0.000 0.530 532 D N -0.212 120.351 120.400 0.272 0.000 2.144 532 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 532 D C 2.277 178.709 176.300 0.219 0.000 0.978 532 D CA 1.168 55.324 54.000 0.259 0.000 0.833 532 D CB -0.465 40.460 40.800 0.209 0.000 0.961 532 D HN 0.122 nan 8.370 nan 0.000 0.470 533 I N 0.730 121.386 120.570 0.143 0.000 2.252 533 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 533 I C 2.223 178.388 176.117 0.080 0.000 1.102 533 I CA 0.510 61.870 61.300 0.100 0.000 1.385 533 I CB 0.003 38.035 38.000 0.052 0.000 1.064 533 I HN -0.019 nan 8.210 nan 0.000 0.414 534 I N 0.184 120.803 120.570 0.081 0.000 2.179 534 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 534 I C 2.554 178.690 176.117 0.033 0.000 1.088 534 I CA 1.539 62.868 61.300 0.049 0.000 1.357 534 I CB -0.977 37.057 38.000 0.057 0.000 1.051 534 I HN 0.245 nan 8.210 nan 0.000 0.409 535 L N 1.222 122.487 121.223 0.070 0.000 2.012 535 L HA -0.228 4.111 4.340 -0.000 0.000 0.210 535 L C 2.628 179.441 176.870 -0.095 0.000 1.073 535 L CA 1.942 56.798 54.840 0.026 0.000 0.748 535 L CB -0.768 41.359 42.059 0.113 0.000 0.891 535 L HN 0.155 nan 8.230 nan 0.000 0.431 536 K N -0.499 119.870 120.400 -0.052 0.000 2.020 536 K HA -0.289 4.031 4.320 -0.000 0.000 0.212 536 K C 2.369 178.898 176.600 -0.119 0.000 1.050 536 K CA 2.088 58.288 56.287 -0.146 0.000 0.929 536 K CB -0.268 32.296 32.500 0.108 0.000 0.714 536 K HN 0.251 nan 8.250 nan 0.000 0.443 537 K N -0.128 120.243 120.400 -0.048 0.000 2.057 537 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 537 K C 1.995 178.553 176.600 -0.071 0.000 1.049 537 K CA 1.221 57.480 56.287 -0.047 0.000 0.931 537 K CB -0.163 32.324 32.500 -0.022 0.000 0.714 537 K HN 0.286 nan 8.250 nan 0.000 0.440 538 A N 0.863 123.637 122.820 -0.076 0.000 1.972 538 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 538 A C 1.955 179.463 177.584 -0.126 0.000 1.169 538 A CA 1.355 53.339 52.037 -0.089 0.000 0.635 538 A CB -0.307 18.649 19.000 -0.074 0.000 0.810 538 A HN 0.326 nan 8.150 nan 0.000 0.446 539 M N -0.614 118.891 119.600 -0.158 0.000 2.541 539 M HA 0.057 4.537 4.480 -0.000 0.000 0.252 539 M C 0.350 176.556 176.300 -0.157 0.000 1.125 539 M CA 0.376 55.563 55.300 -0.187 0.000 1.091 539 M CB 0.034 32.491 32.600 -0.238 0.000 1.420 539 M HN 0.184 nan 8.290 nan 0.000 0.486 540 K N 1.144 121.468 120.400 -0.127 0.000 2.187 540 K HA 0.015 4.335 4.320 -0.000 0.000 0.247 540 K C 0.530 177.084 176.600 -0.078 0.000 1.019 540 K CA -0.144 56.088 56.287 -0.092 0.000 0.893 540 K CB 0.146 32.606 32.500 -0.067 0.000 1.025 540 K HN -0.019 nan 8.250 nan 0.000 0.500 541 N N 0.166 118.831 118.700 -0.059 0.000 2.738 541 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 541 N C -1.038 174.440 175.510 -0.054 0.000 1.047 541 N CA 0.819 53.841 53.050 -0.046 0.000 0.707 541 N CB -1.204 37.260 38.487 -0.038 0.000 0.937 541 N HN 0.494 nan 8.380 nan 0.000 0.545 542 S N -1.374 114.286 115.700 -0.066 0.000 2.749 542 S HA 0.224 4.694 4.470 -0.000 0.000 0.246 542 S C 0.208 174.767 174.600 -0.069 0.000 1.023 542 S CA -0.339 57.812 58.200 -0.082 0.000 1.012 542 S CB 0.862 63.989 63.200 -0.123 0.000 0.942 542 S HN 0.256 nan 8.310 nan 0.000 0.531 543 V N 2.222 122.111 119.914 -0.043 0.000 2.617 543 V HA 0.289 4.408 4.120 -0.000 0.000 0.304 543 V C 1.548 177.631 176.094 -0.019 0.000 1.040 543 V CA 1.441 63.723 62.300 -0.031 0.000 1.149 543 V CB 0.015 31.830 31.823 -0.014 0.000 0.914 543 V HN 0.700 nan 8.190 nan 0.000 0.487 544 G N 3.698 112.479 108.800 -0.030 0.000 2.199 544 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.254 544 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.254 544 G C 0.111 174.947 174.900 -0.107 0.000 0.982 544 G CA 0.138 45.231 45.100 -0.011 0.000 0.632 544 G HN 0.553 nan 8.290 nan 0.000 0.529 545 L N 2.266 123.384 121.223 -0.175 0.000 2.418 545 L HA 0.404 4.744 4.340 -0.000 0.000 0.265 545 L C -1.455 175.140 176.870 -0.457 0.000 1.143 545 L CA -1.916 52.703 54.840 -0.367 0.000 0.809 545 L CB 0.673 42.576 42.059 -0.259 0.000 1.124 545 L HN -0.006 nan 8.230 nan 0.000 0.456 546 P HA 0.191 nan 4.420 nan 0.000 0.278 546 P C -1.033 176.121 177.300 -0.243 0.000 1.238 546 P CA -0.213 62.603 63.100 -0.473 0.000 0.794 546 P CB 1.588 32.952 31.700 -0.560 0.000 0.955 547 V N 1.529 121.347 119.914 -0.159 0.000 2.709 547 V HA 0.698 4.818 4.120 -0.000 0.000 0.308 547 V C 0.208 176.262 176.094 -0.066 0.000 1.062 547 V CA -0.740 61.507 62.300 -0.089 0.000 0.901 547 V CB 1.744 33.516 31.823 -0.085 0.000 1.003 547 V HN 0.812 nan 8.190 nan 0.000 0.425 548 A N 3.372 126.169 122.820 -0.038 0.000 2.344 548 A HA 1.020 5.340 4.320 -0.000 0.000 0.307 548 A C -0.481 177.066 177.584 -0.062 0.000 1.151 548 A CA -0.499 51.511 52.037 -0.045 0.000 0.842 548 A CB 2.042 21.029 19.000 -0.022 0.000 1.350 548 A HN 1.526 nan 8.150 nan 0.000 0.459 549 V N -1.942 117.923 119.914 -0.082 0.000 3.113 549 V HA 0.777 4.897 4.120 -0.000 0.000 0.316 549 V C -0.501 175.531 176.094 -0.103 0.000 1.125 549 V CA -0.724 61.518 62.300 -0.098 0.000 1.026 549 V CB 1.413 33.169 31.823 -0.110 0.000 1.080 549 V HN 1.036 nan 8.190 nan 0.000 0.444 550 Q N 0.220 119.963 119.800 -0.096 0.000 2.309 550 Q HA 0.626 4.965 4.340 -0.000 0.000 0.264 550 Q C -1.648 174.307 176.000 -0.075 0.000 1.008 550 Q CA -0.542 55.212 55.803 -0.082 0.000 0.853 550 Q CB 1.990 30.700 28.738 -0.046 0.000 1.314 550 Q HN 0.991 nan 8.270 nan 0.000 0.448 551 C N 3.278 122.538 119.300 -0.067 0.000 2.345 551 C HA 0.766 5.225 4.460 -0.000 0.000 0.323 551 C C -0.585 174.454 174.990 0.081 0.000 1.276 551 C CA -0.645 58.397 59.018 0.040 0.000 1.543 551 C CB 0.785 28.454 27.740 -0.118 0.000 2.211 551 C HN 0.632 nan 8.230 nan 0.000 0.493 552 V N 2.507 122.515 119.914 0.158 0.000 2.735 552 V HA 0.948 5.068 4.120 -0.000 0.000 0.310 552 V C 0.168 176.428 176.094 0.277 0.000 1.061 552 V CA -0.180 62.180 62.300 0.099 0.000 0.913 552 V CB 1.778 33.538 31.823 -0.105 0.000 1.005 552 V HN 1.120 nan 8.190 nan 0.000 0.428 553 A N 3.171 126.090 122.820 0.166 0.000 2.524 553 A HA 0.918 5.238 4.320 -0.000 0.000 0.286 553 A C -0.880 176.441 177.584 -0.437 0.000 1.203 553 A CA -0.823 51.255 52.037 0.069 0.000 0.736 553 A CB 1.112 20.138 19.000 0.043 0.000 1.322 553 A HN 0.730 nan 8.150 nan 0.000 0.424 554 L N 0.757 121.531 121.223 -0.749 0.000 2.472 554 L HA 0.264 4.604 4.340 -0.000 0.000 0.260 554 L C -2.026 174.395 176.870 -0.749 0.000 1.209 554 L CA -1.593 52.534 54.840 -1.188 0.000 0.817 554 L CB 0.197 41.660 42.059 -0.993 0.000 1.106 554 L HN 0.391 nan 8.230 nan 0.000 0.479 555 P HA -0.139 nan 4.420 nan 0.000 0.263 555 P C -0.810 176.266 177.300 -0.373 0.000 1.175 555 P CA 0.525 63.262 63.100 -0.605 0.000 0.761 555 P CB 0.058 31.429 31.700 -0.547 0.000 0.794 556 W N 0.253 121.480 121.300 -0.121 0.000 2.589 556 W HA -0.188 4.471 4.660 -0.001 0.000 0.272 556 W C 0.450 176.909 176.519 -0.100 0.000 1.060 556 W CA 0.008 57.298 57.345 -0.090 0.000 0.533 556 W CB -2.229 27.177 29.460 -0.091 0.000 2.084 556 W HN 0.368 nan 8.180 nan 0.000 1.371 557 Q N 0.478 120.276 119.800 -0.002 0.000 2.465 557 Q HA 0.151 4.491 4.340 -0.000 0.000 0.361 557 Q C 1.150 177.144 176.000 -0.010 0.000 0.957 557 Q CA 0.232 56.023 55.803 -0.020 0.000 1.065 557 Q CB 0.573 29.267 28.738 -0.074 0.000 1.274 557 Q HN 0.314 nan 8.270 nan 0.000 0.421 558 E N 0.779 120.988 120.200 0.015 0.000 2.077 558 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 558 E C 1.264 177.879 176.600 0.025 0.000 0.989 558 E CA 1.331 57.753 56.400 0.036 0.000 0.800 558 E CB 0.302 30.052 29.700 0.083 0.000 0.746 558 E HN 0.392 nan 8.360 nan 0.000 0.452 559 E N 0.032 120.184 120.200 -0.080 0.000 2.077 559 E HA -0.150 4.199 4.350 -0.000 0.000 0.193 559 E C 1.857 178.493 176.600 0.060 0.000 0.989 559 E CA 0.667 56.980 56.400 -0.146 0.000 0.800 559 E CB -0.189 29.263 29.700 -0.413 0.000 0.746 559 E HN 0.137 nan 8.360 nan 0.000 0.452 560 L N 0.270 121.514 121.223 0.036 0.000 2.109 560 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 560 L C 2.157 179.110 176.870 0.139 0.000 1.086 560 L CA 1.470 56.356 54.840 0.077 0.000 0.760 560 L CB -0.670 41.411 42.059 0.036 0.000 0.910 560 L HN 0.314 nan 8.230 nan 0.000 0.437 561 C N -0.669 118.705 119.300 0.122 0.000 2.429 561 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 561 C C 2.722 177.828 174.990 0.194 0.000 1.262 561 C CA 1.004 60.120 59.018 0.164 0.000 1.733 561 C CB -1.066 26.735 27.740 0.102 0.000 2.010 561 C HN 0.618 nan 8.230 nan 0.000 0.483 562 L N 0.605 121.944 121.223 0.193 0.000 2.141 562 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 562 L C 3.022 180.133 176.870 0.401 0.000 1.094 562 L CA 1.279 56.270 54.840 0.252 0.000 0.763 562 L CB -0.816 41.351 42.059 0.181 0.000 0.908 562 L HN 0.350 nan 8.230 nan 0.000 0.437 563 R N 0.449 121.185 120.500 0.393 0.000 2.096 563 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 563 R C 2.260 178.683 176.300 0.205 0.000 1.127 563 R CA 1.807 58.046 56.100 0.232 0.000 0.968 563 R CB -0.639 29.745 30.300 0.140 0.000 0.861 563 R HN 0.373 nan 8.270 nan 0.000 0.440 564 F N 0.675 120.647 119.950 0.036 0.000 2.128 564 F HA -0.145 4.382 4.527 -0.000 0.000 0.295 564 F C 2.323 178.116 175.800 -0.012 0.000 1.100 564 F CA 1.106 59.088 58.000 -0.030 0.000 1.260 564 F CB -0.047 38.929 39.000 -0.040 0.000 1.009 564 F HN -0.060 nan 8.300 nan 0.000 0.476 565 M N 0.268 119.816 119.600 -0.087 0.000 2.106 565 M HA -0.259 4.221 4.480 -0.000 0.000 0.259 565 M C 2.325 178.581 176.300 -0.074 0.000 1.068 565 M CA 1.986 57.183 55.300 -0.171 0.000 1.100 565 M CB -0.616 31.956 32.600 -0.047 0.000 1.351 565 M HN 0.144 nan 8.290 nan 0.000 0.404 566 R N 0.492 121.023 120.500 0.052 0.000 2.096 566 R HA -0.215 4.125 4.340 -0.000 0.000 0.235 566 R C 1.952 178.257 176.300 0.008 0.000 1.127 566 R CA 1.948 58.086 56.100 0.063 0.000 0.968 566 R CB -0.114 30.250 30.300 0.107 0.000 0.861 566 R HN 0.282 nan 8.270 nan 0.000 0.440 567 E N -0.018 120.184 120.200 0.003 0.000 2.047 567 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 567 E C 1.870 178.445 176.600 -0.041 0.000 0.987 567 E CA 1.544 57.953 56.400 0.015 0.000 0.799 567 E CB -0.082 29.657 29.700 0.065 0.000 0.752 567 E HN 0.182 nan 8.360 nan 0.000 0.449 568 V N 1.155 120.970 119.914 -0.164 0.000 2.287 568 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 568 V C 2.459 178.493 176.094 -0.101 0.000 1.053 568 V CA 2.324 64.510 62.300 -0.189 0.000 1.027 568 V CB -0.646 30.959 31.823 -0.363 0.000 0.646 568 V HN 0.427 nan 8.190 nan 0.000 0.447 569 E N -0.450 119.701 120.200 -0.082 0.000 2.058 569 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 569 E C 2.358 178.949 176.600 -0.014 0.000 0.997 569 E CA 1.514 57.892 56.400 -0.037 0.000 0.801 569 E CB -0.164 29.529 29.700 -0.012 0.000 0.746 569 E HN 0.542 nan 8.360 nan 0.000 0.450 570 Q N 0.443 120.240 119.800 -0.004 0.000 2.084 570 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 570 Q C 2.356 178.361 176.000 0.009 0.000 0.978 570 Q CA 1.204 57.012 55.803 0.010 0.000 0.844 570 Q CB -0.097 28.652 28.738 0.018 0.000 0.898 570 Q HN 0.409 nan 8.270 nan 0.000 0.426 571 L N -0.404 120.824 121.223 0.007 0.000 2.179 571 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 571 L C 2.295 179.164 176.870 -0.001 0.000 1.096 571 L CA 0.511 55.358 54.840 0.012 0.000 0.779 571 L CB -0.193 41.881 42.059 0.026 0.000 0.922 571 L HN 0.201 nan 8.230 nan 0.000 0.443 572 M N -1.219 118.373 119.600 -0.014 0.000 2.534 572 M HA 0.090 4.570 4.480 -0.000 0.000 0.263 572 M C 0.906 177.201 176.300 -0.009 0.000 1.152 572 M CA 0.821 56.110 55.300 -0.018 0.000 1.145 572 M CB -0.346 32.232 32.600 -0.036 0.000 1.333 572 M HN 0.253 nan 8.290 nan 0.000 0.477 573 T N -2.380 112.171 114.554 -0.004 0.000 3.816 573 T HA 0.309 4.658 4.350 -0.000 0.000 0.232 573 T C -2.230 172.478 174.700 0.013 0.000 1.125 573 T CA -1.082 61.022 62.100 0.007 0.000 1.609 573 T CB 0.858 69.732 68.868 0.010 0.000 0.805 573 T HN -0.052 nan 8.240 nan 0.000 0.647 574 P HA -0.167 nan 4.420 nan 0.000 0.218 574 P C 1.264 178.576 177.300 0.019 0.000 1.146 574 P CA 1.146 64.255 63.100 0.015 0.000 0.813 574 P CB 0.214 31.922 31.700 0.014 0.000 0.778 575 Q N -0.539 119.274 119.800 0.021 0.000 2.500 575 Q HA -0.095 4.245 4.340 -0.000 0.000 0.213 575 Q C 1.946 177.963 176.000 0.029 0.000 0.974 575 Q CA 0.809 56.626 55.803 0.024 0.000 0.918 575 Q CB -0.283 28.470 28.738 0.026 0.000 0.980 575 Q HN 0.166 nan 8.270 nan 0.000 0.505 576 K N 0.041 120.459 120.400 0.030 0.000 2.418 576 K HA 0.014 4.334 4.320 -0.000 0.000 0.195 576 K C 0.358 176.980 176.600 0.036 0.000 1.035 576 K CA 0.469 56.777 56.287 0.036 0.000 1.003 576 K CB 0.469 32.990 32.500 0.036 0.000 0.793 576 K HN 0.153 nan 8.250 nan 0.000 0.494 577 Q N 0.000 119.819 119.800 0.032 0.000 2.315 577 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 577 Q CA 0.000 55.823 55.803 0.034 0.000 1.022 577 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 577 Q HN 0.000 nan 8.270 nan 0.000 0.481