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 2jb2_1_A DATA FIRST_RESID 4 DATA SEQUENCE DLIGKVKGSH SVVVLGGGPA GLCSAFELQK AGYKVTVLEA RTRPGGRVWT DATA SEQUENCE ARGGSEETDL SGETQKCTFS EGHFYNVGAT RIPQSHITLD YCRELGVEIQ DATA SEQUENCE GFGNQNANTF VNYQSDTSLS GQSVTYRAAK ADTFGYMSEL LKKATDQGAL DATA SEQUENCE DQVLSREDKD ALSEFLSDFG DLSDDGRYLG SSRRGYDSEP GAGLNFGTEK DATA SEQUENCE KPFAMQEVIR SGIGRNFSFD FGYDQAMMMF TPVGGMDRIY YAFQDRIGTD DATA SEQUENCE NIVFGAEVTS MKNVSEGVTV EYTAGGSKKS ITADYAICTI PPHLVGRLQN DATA SEQUENCE NLPGDVLTAL KAAKPSSSGK LGIEYSRRWW ETEDRIYGGA SNTDKDISQI DATA SEQUENCE MFPYDHYNSD RGVVVAYYSS GKRQEAFESL THRQRLAKAI AEGSEIHGEK DATA SEQUENCE YTRDISSSFS GSWRRTKYSE SAWANWAGSX XXXXXXATPE YEKLLEPVDK DATA SEQUENCE IYFAGDHLSN AIAWQHGALT SARDVVTHIH ERVAQE 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.273 176.300 -0.045 0.000 2.045 4 D CA 0.000 53.976 54.000 -0.040 0.000 0.868 4 D CB 0.000 40.779 40.800 -0.036 0.000 0.688 5 L N 1.760 122.954 121.223 -0.049 0.000 1.994 5 L HA 0.261 4.603 4.340 0.003 0.000 0.208 5 L C 0.696 177.507 176.870 -0.097 0.000 1.071 5 L CA 1.776 56.580 54.840 -0.059 0.000 0.745 5 L CB -0.204 41.830 42.059 -0.043 0.000 0.892 5 L HN 0.355 nan 8.230 nan 0.000 0.431 6 I N -3.963 116.515 120.570 -0.153 0.000 2.865 6 I HA 0.649 4.821 4.170 0.003 0.000 0.302 6 I C -0.117 175.888 176.117 -0.187 0.000 1.140 6 I CA -0.709 60.441 61.300 -0.249 0.000 1.021 6 I CB 1.788 39.406 38.000 -0.638 0.000 1.233 6 I HN -0.046 nan 8.210 nan 0.000 0.427 7 G N 3.262 112.006 108.800 -0.093 0.000 3.205 7 G HA2 0.426 4.387 3.960 0.003 0.000 0.343 7 G HA3 0.426 4.387 3.960 0.003 0.000 0.343 7 G C -0.618 174.315 174.900 0.056 0.000 1.305 7 G CA -0.473 44.621 45.100 -0.010 0.000 1.120 7 G HN 0.627 nan 8.290 nan 0.000 0.472 8 K N 0.027 120.442 120.400 0.025 0.000 7.156 8 K HA -0.188 4.134 4.320 0.003 0.000 0.723 8 K C -0.227 176.449 176.600 0.128 0.000 2.501 8 K CA 0.143 56.460 56.287 0.050 0.000 1.807 8 K CB -0.577 31.935 32.500 0.019 0.000 1.947 8 K HN 0.538 nan 8.250 nan 0.000 0.300 9 V N 2.972 122.932 119.914 0.076 0.000 2.644 9 V HA 0.268 4.389 4.120 0.003 0.000 0.295 9 V C -0.004 176.048 176.094 -0.070 0.000 1.053 9 V CA -0.361 61.916 62.300 -0.039 0.000 0.987 9 V CB 1.221 32.792 31.823 -0.420 0.000 1.006 9 V HN 0.597 nan 8.190 nan 0.000 0.472 10 K N 4.392 124.757 120.400 -0.059 0.000 2.183 10 K HA 0.747 5.069 4.320 0.003 0.000 0.274 10 K C 0.329 176.984 176.600 0.091 0.000 1.009 10 K CA 0.704 56.992 56.287 0.001 0.000 0.888 10 K CB 1.085 33.584 32.500 -0.002 0.000 1.078 10 K HN 1.276 nan 8.250 nan 0.000 0.459 11 G N 1.172 109.994 108.800 0.037 0.000 2.615 11 G HA2 -0.202 3.760 3.960 0.003 0.000 0.218 11 G HA3 -0.202 3.760 3.960 0.003 0.000 0.218 11 G C -0.916 173.927 174.900 -0.095 0.000 1.339 11 G CA -0.825 44.265 45.100 -0.017 0.000 0.884 11 G HN 0.467 nan 8.290 nan 0.000 0.559 12 S N 1.421 116.931 115.700 -0.317 0.000 2.474 12 S HA 0.729 5.201 4.470 0.003 0.000 0.321 12 S C -0.532 173.690 174.600 -0.631 0.000 1.080 12 S CA -0.595 57.417 58.200 -0.313 0.000 1.106 12 S CB 0.842 63.926 63.200 -0.193 0.000 0.984 12 S HN 0.665 nan 8.310 nan 0.000 0.464 13 H N 1.019 120.063 119.070 -0.043 0.000 2.894 13 H HA 0.510 5.067 4.556 0.003 0.000 0.367 13 H C -0.725 174.705 175.328 0.171 0.000 1.144 13 H CA -0.659 55.429 56.048 0.066 0.000 1.180 13 H CB 2.029 31.816 29.762 0.042 0.000 1.758 13 H HN 0.630 nan 8.280 nan 0.000 0.541 14 S N 1.387 117.273 115.700 0.310 0.000 2.526 14 S HA 0.710 5.182 4.470 0.003 0.000 0.293 14 S C -0.658 174.096 174.600 0.257 0.000 1.092 14 S CA -0.703 57.638 58.200 0.236 0.000 0.980 14 S CB 2.020 65.293 63.200 0.122 0.000 1.048 14 S HN 0.270 nan 8.310 nan 0.000 0.483 15 V N 2.152 122.170 119.914 0.174 0.000 2.709 15 V HA 0.675 4.797 4.120 0.003 0.000 0.308 15 V C -0.597 175.524 176.094 0.044 0.000 1.062 15 V CA -0.852 61.513 62.300 0.109 0.000 0.901 15 V CB 1.816 33.644 31.823 0.007 0.000 1.003 15 V HN 0.877 nan 8.190 nan 0.000 0.425 16 V N 5.757 125.689 119.914 0.030 0.000 2.398 16 V HA 0.647 4.768 4.120 0.003 0.000 0.286 16 V C -0.616 175.454 176.094 -0.039 0.000 1.026 16 V CA -0.191 62.100 62.300 -0.015 0.000 0.868 16 V CB 1.925 33.741 31.823 -0.011 0.000 0.982 16 V HN 0.659 nan 8.190 nan 0.000 0.443 17 V N 8.110 127.978 119.914 -0.078 0.000 2.357 17 V HA 0.429 4.550 4.120 0.003 0.000 0.284 17 V C -0.363 175.663 176.094 -0.114 0.000 1.018 17 V CA -0.583 61.663 62.300 -0.091 0.000 0.841 17 V CB 1.375 33.133 31.823 -0.109 0.000 0.991 17 V HN 0.724 nan 8.190 nan 0.000 0.437 18 L N 5.120 126.293 121.223 -0.084 0.000 2.268 18 L HA 0.775 5.116 4.340 0.003 0.000 0.289 18 L C 0.758 177.575 176.870 -0.088 0.000 1.064 18 L CA 0.615 55.401 54.840 -0.091 0.000 0.824 18 L CB 0.637 42.671 42.059 -0.042 0.000 1.202 18 L HN 0.936 nan 8.230 nan 0.000 0.433 19 G N 1.994 110.714 108.800 -0.133 0.000 3.225 19 G HA2 0.136 4.098 3.960 0.003 0.000 0.686 19 G HA3 0.136 4.098 3.960 0.003 0.000 0.686 19 G C 0.060 174.872 174.900 -0.146 0.000 1.105 19 G CA -0.581 44.442 45.100 -0.129 0.000 0.831 19 G HN 0.908 nan 8.290 nan 0.000 0.578 20 G N 0.929 109.635 108.800 -0.155 0.000 4.125 20 G HA2 0.687 4.648 3.960 0.003 0.000 0.301 20 G HA3 0.687 4.648 3.960 0.003 0.000 0.301 20 G C 0.880 175.702 174.900 -0.129 0.000 1.273 20 G CA 0.917 45.926 45.100 -0.152 0.000 1.095 20 G HN 1.284 nan 8.290 nan 0.000 0.582 21 G N 0.553 109.259 108.800 -0.157 0.000 2.509 21 G HA2 0.444 4.406 3.960 0.003 0.000 0.269 21 G HA3 0.444 4.406 3.960 0.003 0.000 0.269 21 G C -1.116 173.594 174.900 -0.317 0.000 1.416 21 G CA -0.836 44.124 45.100 -0.232 0.000 1.052 21 G HN 0.011 nan 8.290 nan 0.000 0.542 22 P HA -0.037 nan 4.420 nan 0.000 0.216 22 P C 2.094 179.252 177.300 -0.236 0.000 1.153 22 P CA 2.160 65.052 63.100 -0.347 0.000 0.848 22 P CB 0.057 31.581 31.700 -0.293 0.000 0.787 23 A N -0.157 122.561 122.820 -0.170 0.000 1.902 23 A HA -0.085 4.236 4.320 0.003 0.000 0.217 23 A C 2.482 179.962 177.584 -0.174 0.000 1.181 23 A CA 2.139 54.093 52.037 -0.139 0.000 0.623 23 A CB -1.876 17.088 19.000 -0.060 0.000 0.818 23 A HN 0.275 nan 8.150 nan 0.000 0.443 24 G N -0.373 108.327 108.800 -0.167 0.000 2.402 24 G HA2 -0.095 3.867 3.960 0.003 0.000 0.216 24 G HA3 -0.095 3.867 3.960 0.003 0.000 0.216 24 G C 1.562 176.330 174.900 -0.220 0.000 1.162 24 G CA 0.972 45.972 45.100 -0.166 0.000 0.777 24 G HN 0.419 nan 8.290 nan 0.000 0.539 25 L N -0.077 120.970 121.223 -0.294 0.000 2.056 25 L HA -0.055 4.286 4.340 0.003 0.000 0.207 25 L C 2.978 179.462 176.870 -0.643 0.000 1.078 25 L CA 0.763 55.366 54.840 -0.394 0.000 0.749 25 L CB -0.548 41.287 42.059 -0.373 0.000 0.901 25 L HN 0.387 nan 8.230 nan 0.000 0.433 26 C N -0.646 118.172 119.300 -0.803 0.000 2.429 26 C HA -0.149 4.313 4.460 0.003 0.000 0.277 26 C C 3.170 178.026 174.990 -0.225 0.000 1.262 26 C CA 1.355 59.953 59.018 -0.700 0.000 1.733 26 C CB -0.530 26.863 27.740 -0.577 0.000 2.010 26 C HN 0.510 nan 8.230 nan 0.000 0.483 27 S N 0.781 116.358 115.700 -0.205 0.000 2.353 27 S HA -0.129 4.343 4.470 0.003 0.000 0.222 27 S C 2.234 176.769 174.600 -0.108 0.000 1.035 27 S CA 1.661 59.775 58.200 -0.144 0.000 1.025 27 S CB -0.693 62.416 63.200 -0.152 0.000 0.902 27 S HN 0.850 nan 8.310 nan 0.000 0.440 28 A N 0.845 123.606 122.820 -0.098 0.000 1.908 28 A HA -0.107 4.215 4.320 0.003 0.000 0.218 28 A C 1.923 179.535 177.584 0.047 0.000 1.181 28 A CA 1.616 53.626 52.037 -0.044 0.000 0.627 28 A CB -0.909 18.060 19.000 -0.051 0.000 0.818 28 A HN 0.502 nan 8.150 nan 0.000 0.445 29 F N 0.960 120.872 119.950 -0.064 0.000 2.095 29 F HA -0.178 4.350 4.527 0.003 0.000 0.298 29 F C 2.289 178.124 175.800 0.059 0.000 1.104 29 F CA 2.239 60.275 58.000 0.060 0.000 1.232 29 F CB -0.066 39.055 39.000 0.202 0.000 0.987 29 F HN 0.228 nan 8.300 nan 0.000 0.475 30 E N 0.570 120.817 120.200 0.079 0.000 2.072 30 E HA -0.142 4.210 4.350 0.003 0.000 0.190 30 E C 2.474 178.998 176.600 -0.126 0.000 0.982 30 E CA 1.165 57.531 56.400 -0.057 0.000 0.803 30 E CB -0.701 29.018 29.700 0.031 0.000 0.755 30 E HN 0.467 nan 8.360 nan 0.000 0.453 31 L N 0.990 122.135 121.223 -0.129 0.000 2.012 31 L HA -0.239 4.103 4.340 0.003 0.000 0.210 31 L C 2.729 179.631 176.870 0.053 0.000 1.073 31 L CA 1.361 56.117 54.840 -0.142 0.000 0.748 31 L CB -0.426 41.484 42.059 -0.248 0.000 0.891 31 L HN 0.129 nan 8.230 nan 0.000 0.431 32 Q N -0.063 119.736 119.800 -0.002 0.000 2.061 32 Q HA -0.255 4.087 4.340 0.003 0.000 0.204 32 Q C 2.245 178.221 176.000 -0.041 0.000 0.984 32 Q CA 1.565 57.371 55.803 0.004 0.000 0.846 32 Q CB -0.119 28.605 28.738 -0.025 0.000 0.902 32 Q HN 0.444 nan 8.270 nan 0.000 0.421 33 K N -0.061 120.248 120.400 -0.150 0.000 2.211 33 K HA -0.128 4.194 4.320 0.003 0.000 0.204 33 K C 1.813 178.365 176.600 -0.080 0.000 1.047 33 K CA 1.133 57.316 56.287 -0.172 0.000 0.935 33 K CB -0.057 32.265 32.500 -0.296 0.000 0.728 33 K HN 0.138 nan 8.250 nan 0.000 0.452 34 A N 0.041 122.848 122.820 -0.021 0.000 2.178 34 A HA 0.180 4.502 4.320 0.003 0.000 0.211 34 A C 1.340 178.954 177.584 0.049 0.000 1.157 34 A CA 0.972 53.026 52.037 0.029 0.000 0.780 34 A CB 0.102 19.143 19.000 0.068 0.000 0.828 34 A HN 0.396 nan 8.150 nan 0.000 0.476 35 G N -2.401 106.432 108.800 0.056 0.000 2.143 35 G HA2 -0.207 3.755 3.960 0.003 0.000 0.175 35 G HA3 -0.207 3.755 3.960 0.003 0.000 0.175 35 G C -0.129 174.746 174.900 -0.041 0.000 1.004 35 G CA -0.117 44.977 45.100 -0.011 0.000 0.671 35 G HN 0.378 nan 8.290 nan 0.000 0.512 36 Y N 0.174 120.488 120.300 0.023 0.000 2.301 36 Y HA 0.530 5.082 4.550 0.003 0.000 0.328 36 Y C 0.862 176.778 175.900 0.028 0.000 1.242 36 Y CA -0.266 57.864 58.100 0.049 0.000 1.323 36 Y CB 0.928 39.408 38.460 0.033 0.000 1.266 36 Y HN 0.102 nan 8.280 nan 0.000 0.527 37 K N 1.785 122.295 120.400 0.185 0.000 2.297 37 K HA 0.499 4.821 4.320 0.003 0.000 0.286 37 K C -1.754 174.917 176.600 0.119 0.000 1.053 37 K CA -0.125 56.229 56.287 0.112 0.000 0.940 37 K CB 0.337 32.882 32.500 0.074 0.000 1.019 37 K HN 0.441 nan 8.250 nan 0.000 0.475 38 V N 3.505 123.460 119.914 0.068 0.000 2.789 38 V HA 0.498 4.620 4.120 0.003 0.000 0.311 38 V C -0.786 175.305 176.094 -0.005 0.000 1.073 38 V CA -0.912 61.406 62.300 0.030 0.000 0.921 38 V CB 2.289 34.117 31.823 0.008 0.000 1.009 38 V HN 0.897 nan 8.190 nan 0.000 0.426 39 T N 2.968 117.503 114.554 -0.031 0.000 2.841 39 T HA 0.578 4.930 4.350 0.003 0.000 0.285 39 T C -0.551 174.076 174.700 -0.122 0.000 0.991 39 T CA -0.453 61.603 62.100 -0.072 0.000 0.966 39 T CB 1.736 70.567 68.868 -0.062 0.000 0.962 39 T HN 0.378 nan 8.240 nan 0.000 0.438 40 V N 4.839 124.650 119.914 -0.171 0.000 2.427 40 V HA 0.461 4.582 4.120 0.003 0.000 0.286 40 V C -0.209 175.694 176.094 -0.318 0.000 1.034 40 V CA -0.810 61.355 62.300 -0.226 0.000 0.893 40 V CB 1.157 32.836 31.823 -0.239 0.000 0.982 40 V HN 0.715 nan 8.190 nan 0.000 0.452 41 L N 4.418 125.446 121.223 -0.325 0.000 2.280 41 L HA 0.677 5.018 4.340 0.003 0.000 0.287 41 L C -0.329 176.340 176.870 -0.335 0.000 1.023 41 L CA -0.379 54.216 54.840 -0.408 0.000 0.819 41 L CB 1.518 43.284 42.059 -0.489 0.000 1.212 41 L HN 0.609 nan 8.230 nan 0.000 0.420 42 E N 2.124 122.115 120.200 -0.349 0.000 2.224 42 E HA 0.528 4.880 4.350 0.003 0.000 0.265 42 E C 0.128 176.595 176.600 -0.222 0.000 0.878 42 E CA -0.366 55.877 56.400 -0.261 0.000 0.759 42 E CB 2.115 31.672 29.700 -0.238 0.000 1.164 42 E HN 0.548 nan 8.360 nan 0.000 0.414 43 A N 5.214 127.826 122.820 -0.347 0.000 1.930 43 A HA 0.016 4.337 4.320 0.003 0.000 0.217 43 A C 1.058 178.401 177.584 -0.402 0.000 1.175 43 A CA 0.886 52.580 52.037 -0.571 0.000 0.627 43 A CB -0.164 18.006 19.000 -1.383 0.000 0.815 43 A HN 0.584 nan 8.150 nan 0.000 0.443 44 R N -0.909 119.448 120.500 -0.238 0.000 2.580 44 R HA 0.327 4.669 4.340 0.003 0.000 0.267 44 R C 1.228 177.568 176.300 0.066 0.000 1.125 44 R CA 0.533 56.606 56.100 -0.046 0.000 1.188 44 R CB 0.098 30.377 30.300 -0.034 0.000 1.155 44 R HN 0.367 nan 8.270 nan 0.000 0.586 45 T N -2.184 112.360 114.554 -0.016 0.000 3.086 45 T HA 0.090 4.441 4.350 0.003 0.000 0.250 45 T C 0.479 174.898 174.700 -0.468 0.000 1.074 45 T CA -0.239 61.773 62.100 -0.146 0.000 0.988 45 T CB -0.193 68.616 68.868 -0.097 0.000 0.988 45 T HN 0.549 nan 8.240 nan 0.000 0.530 46 R N 0.712 121.048 120.500 -0.274 0.000 2.803 46 R HA 0.730 5.072 4.340 0.003 0.000 0.276 46 R C -3.271 172.967 176.300 -0.104 0.000 0.978 46 R CA -2.375 53.551 56.100 -0.289 0.000 0.939 46 R CB 0.904 31.166 30.300 -0.062 0.000 1.179 46 R HN -0.046 nan 8.270 nan 0.000 0.472 47 P HA 0.231 nan 4.420 nan 0.000 0.286 47 P C 0.093 177.354 177.300 -0.065 0.000 1.261 47 P CA 0.108 63.208 63.100 -0.001 0.000 0.821 47 P CB 1.641 33.299 31.700 -0.069 0.000 1.013 48 G N 0.778 109.533 108.800 -0.074 0.000 2.480 48 G HA2 0.039 4.001 3.960 0.003 0.000 0.193 48 G HA3 0.039 4.001 3.960 0.003 0.000 0.193 48 G C 0.668 175.439 174.900 -0.215 0.000 1.004 48 G CA 0.397 45.365 45.100 -0.221 0.000 0.696 48 G HN 0.888 nan 8.290 nan 0.000 0.478 49 G N 0.636 109.386 108.800 -0.083 0.000 2.602 49 G HA2 -0.400 3.561 3.960 0.003 0.000 0.310 49 G HA3 -0.400 3.561 3.960 0.003 0.000 0.310 49 G C 0.975 175.905 174.900 0.051 0.000 1.183 49 G CA 1.382 46.462 45.100 -0.033 0.000 0.979 49 G HN 1.065 nan 8.290 nan 0.000 0.545 50 R N -0.026 120.428 120.500 -0.077 0.000 2.316 50 R HA 0.234 4.576 4.340 0.003 0.000 0.202 50 R C 0.627 176.864 176.300 -0.105 0.000 1.029 50 R CA 0.526 56.447 56.100 -0.298 0.000 1.018 50 R CB 0.023 30.006 30.300 -0.528 0.000 0.888 50 R HN 0.242 nan 8.270 nan 0.000 0.471 51 V N 1.693 121.604 119.914 -0.006 0.000 2.338 51 V HA 0.067 4.189 4.120 0.003 0.000 0.255 51 V C -0.831 175.463 176.094 0.333 0.000 1.082 51 V CA -0.353 62.026 62.300 0.131 0.000 0.951 51 V CB 0.141 31.988 31.823 0.041 0.000 1.102 51 V HN 0.212 nan 8.190 nan 0.000 0.489 52 W N 4.654 126.082 121.300 0.213 0.000 2.781 52 W HA 0.635 5.296 4.660 0.002 0.000 0.333 52 W C -0.453 176.152 176.519 0.143 0.000 1.047 52 W CA -0.866 56.611 57.345 0.219 0.000 1.236 52 W CB 1.901 31.570 29.460 0.349 0.000 1.394 52 W HN 0.381 nan 8.180 nan 0.000 0.466 53 T N 5.153 119.794 114.554 0.145 0.000 2.770 53 T HA 0.657 5.009 4.350 0.003 0.000 0.283 53 T C -0.121 174.400 174.700 -0.297 0.000 0.988 53 T CA -0.373 61.666 62.100 -0.101 0.000 0.957 53 T CB 1.071 69.940 68.868 0.003 0.000 0.930 53 T HN 0.547 nan 8.240 nan 0.000 0.443 54 A N 4.897 127.373 122.820 -0.573 0.000 2.309 54 A HA 0.699 5.021 4.320 0.003 0.000 0.290 54 A C 0.479 177.970 177.584 -0.156 0.000 1.206 54 A CA -0.631 51.022 52.037 -0.641 0.000 0.850 54 A CB 0.209 18.595 19.000 -1.023 0.000 1.118 54 A HN 0.922 nan 8.150 nan 0.000 0.523 55 R N 1.867 122.273 120.500 -0.156 0.000 2.869 55 R HA 0.716 5.057 4.340 0.003 0.000 0.263 55 R C 0.283 176.519 176.300 -0.106 0.000 1.066 55 R CA -0.581 55.552 56.100 0.053 0.000 0.960 55 R CB 0.590 30.956 30.300 0.111 0.000 1.221 55 R HN 0.708 nan 8.270 nan 0.000 0.474 56 G N -0.662 108.141 108.800 0.006 0.000 2.225 56 G HA2 0.319 4.280 3.960 0.003 0.000 0.245 56 G HA3 0.319 4.280 3.960 0.003 0.000 0.245 56 G C 0.929 175.788 174.900 -0.068 0.000 1.249 56 G CA 0.480 45.548 45.100 -0.055 0.000 0.919 56 G HN 1.115 nan 8.290 nan 0.000 0.486 57 G N 1.486 110.227 108.800 -0.098 0.000 2.259 57 G HA2 -0.245 3.716 3.960 0.003 0.000 0.217 57 G HA3 -0.245 3.716 3.960 0.003 0.000 0.217 57 G C 0.754 175.614 174.900 -0.067 0.000 1.001 57 G CA 0.248 45.310 45.100 -0.063 0.000 0.627 57 G HN 1.158 nan 8.290 nan 0.000 0.501 58 S N 1.239 116.859 115.700 -0.132 0.000 2.525 58 S HA 0.425 4.897 4.470 0.003 0.000 0.285 58 S C 0.092 174.685 174.600 -0.013 0.000 1.283 58 S CA 0.573 58.716 58.200 -0.095 0.000 1.072 58 S CB 1.381 64.415 63.200 -0.277 0.000 0.867 58 S HN 0.574 nan 8.310 nan 0.000 0.492 59 E N 1.935 122.195 120.200 0.099 0.000 2.222 59 E HA 0.474 4.826 4.350 0.003 0.000 0.267 59 E C -1.091 175.630 176.600 0.201 0.000 0.884 59 E CA -0.596 55.894 56.400 0.150 0.000 0.764 59 E CB 1.185 30.930 29.700 0.075 0.000 1.169 59 E HN 0.515 nan 8.360 nan 0.000 0.413 60 E N 2.106 122.450 120.200 0.240 0.000 2.278 60 E HA 0.305 4.656 4.350 0.003 0.000 0.272 60 E C -1.782 174.854 176.600 0.060 0.000 0.890 60 E CA -0.521 55.977 56.400 0.163 0.000 0.770 60 E CB 1.963 31.865 29.700 0.338 0.000 1.212 60 E HN 0.327 nan 8.360 nan 0.000 0.415 61 T N 4.294 118.850 114.554 0.004 0.000 2.749 61 T HA 0.351 4.703 4.350 0.003 0.000 0.287 61 T C -0.611 174.056 174.700 -0.056 0.000 0.970 61 T CA -0.801 61.286 62.100 -0.023 0.000 0.980 61 T CB 0.500 69.356 68.868 -0.020 0.000 0.924 61 T HN 0.539 nan 8.240 nan 0.000 0.456 62 D N 2.408 122.773 120.400 -0.059 0.000 2.451 62 D HA 0.162 4.804 4.640 0.003 0.000 0.259 62 D C 1.102 177.359 176.300 -0.071 0.000 1.201 62 D CA -1.012 52.943 54.000 -0.075 0.000 1.028 62 D CB 0.628 41.387 40.800 -0.069 0.000 1.095 62 D HN 0.326 nan 8.370 nan 0.000 0.539 63 L N -0.352 120.827 121.223 -0.073 0.000 2.622 63 L HA -0.014 4.328 4.340 0.003 0.000 0.233 63 L C 1.737 178.580 176.870 -0.045 0.000 1.156 63 L CA 0.433 55.232 54.840 -0.068 0.000 0.866 63 L CB -0.252 41.766 42.059 -0.068 0.000 0.980 63 L HN 0.310 nan 8.230 nan 0.000 0.448 64 S N -0.633 115.045 115.700 -0.037 0.000 2.548 64 S HA 0.178 4.650 4.470 0.003 0.000 0.215 64 S C 1.524 176.110 174.600 -0.023 0.000 0.976 64 S CA 0.678 58.863 58.200 -0.025 0.000 0.908 64 S CB 0.501 63.691 63.200 -0.017 0.000 0.781 64 S HN 0.635 nan 8.310 nan 0.000 0.519 65 G N 1.897 110.679 108.800 -0.029 0.000 2.175 65 G HA2 -0.252 3.709 3.960 0.003 0.000 0.244 65 G HA3 -0.252 3.709 3.960 0.003 0.000 0.244 65 G C -0.105 174.784 174.900 -0.019 0.000 0.982 65 G CA 0.178 45.264 45.100 -0.024 0.000 0.641 65 G HN 0.541 nan 8.290 nan 0.000 0.527 66 E N 1.007 121.194 120.200 -0.020 0.000 2.289 66 E HA 0.517 4.869 4.350 0.003 0.000 0.278 66 E C -0.297 176.288 176.600 -0.026 0.000 1.032 66 E CA -0.084 56.306 56.400 -0.017 0.000 0.854 66 E CB 0.483 30.177 29.700 -0.011 0.000 1.046 66 E HN 0.099 nan 8.360 nan 0.000 0.409 67 T N 4.910 119.453 114.554 -0.018 0.000 2.758 67 T HA 0.230 4.581 4.350 0.003 0.000 0.285 67 T C -0.589 174.094 174.700 -0.028 0.000 0.981 67 T CA -0.553 61.539 62.100 -0.013 0.000 0.965 67 T CB 1.154 70.024 68.868 0.002 0.000 0.927 67 T HN 0.454 nan 8.240 nan 0.000 0.448 68 Q N 2.258 122.031 119.800 -0.045 0.000 2.274 68 Q HA 0.446 4.788 4.340 0.003 0.000 0.260 68 Q C -0.567 175.504 176.000 0.118 0.000 0.974 68 Q CA -0.767 54.990 55.803 -0.077 0.000 0.876 68 Q CB 2.026 30.518 28.738 -0.410 0.000 1.297 68 Q HN 0.431 nan 8.270 nan 0.000 0.446 69 K N 1.476 121.929 120.400 0.088 0.000 2.483 69 K HA 0.294 4.616 4.320 0.003 0.000 0.256 69 K C -1.022 175.589 176.600 0.018 0.000 0.961 69 K CA -0.498 55.835 56.287 0.076 0.000 0.873 69 K CB 1.508 34.018 32.500 0.016 0.000 1.107 69 K HN 0.575 nan 8.250 nan 0.000 0.432 70 C N 3.140 122.378 119.300 -0.103 0.000 2.585 70 C HA 0.235 4.697 4.460 0.003 0.000 0.406 70 C C 1.366 176.155 174.990 -0.335 0.000 1.312 70 C CA 0.091 58.857 59.018 -0.420 0.000 1.924 70 C CB -0.818 26.314 27.740 -1.015 0.000 2.578 70 C HN 0.944 nan 8.230 nan 0.000 0.580 71 T N 2.730 117.082 114.554 -0.337 0.000 3.331 71 T HA 0.315 4.667 4.350 0.003 0.000 0.282 71 T C -0.135 174.545 174.700 -0.034 0.000 1.010 71 T CA -0.377 61.637 62.100 -0.144 0.000 0.928 71 T CB -0.609 68.218 68.868 -0.068 0.000 1.154 71 T HN 0.466 nan 8.240 nan 0.000 0.516 72 F N 2.717 122.649 119.950 -0.031 0.000 2.553 72 F HA 0.384 4.914 4.527 0.004 0.000 0.356 72 F C 1.350 177.151 175.800 0.002 0.000 1.142 72 F CA -0.868 57.123 58.000 -0.015 0.000 1.322 72 F CB 0.007 39.015 39.000 0.014 0.000 1.126 72 F HN 0.101 nan 8.300 nan 0.000 0.599 73 S N 0.778 116.596 115.700 0.196 0.000 2.566 73 S HA -0.041 4.430 4.470 0.003 0.000 0.280 73 S C 0.185 174.904 174.600 0.198 0.000 1.343 73 S CA -0.667 57.602 58.200 0.115 0.000 1.036 73 S CB 0.123 63.312 63.200 -0.019 0.000 0.866 73 S HN 0.590 nan 8.310 nan 0.000 0.526 74 E N 0.315 120.602 120.200 0.145 0.000 2.465 74 E HA 0.233 4.585 4.350 0.003 0.000 0.260 74 E C 1.212 177.912 176.600 0.167 0.000 0.980 74 E CA 0.740 57.221 56.400 0.134 0.000 0.927 74 E CB -0.146 29.604 29.700 0.083 0.000 0.934 74 E HN 0.888 nan 8.360 nan 0.000 0.459 75 G N 3.805 112.693 108.800 0.147 0.000 2.217 75 G HA2 -0.262 3.699 3.960 0.003 0.000 0.246 75 G HA3 -0.262 3.699 3.960 0.003 0.000 0.246 75 G C -0.242 174.700 174.900 0.070 0.000 0.990 75 G CA 0.402 45.577 45.100 0.125 0.000 0.627 75 G HN 0.719 nan 8.290 nan 0.000 0.522 76 H N -0.159 118.994 119.070 0.138 0.000 2.458 76 H HA 0.707 5.264 4.556 0.002 0.000 0.330 76 H C 0.119 175.486 175.328 0.064 0.000 1.111 76 H CA 0.180 56.209 56.048 -0.030 0.000 1.245 76 H CB 1.050 30.682 29.762 -0.217 0.000 1.456 76 H HN 0.632 nan 8.280 nan 0.000 0.488 77 F N 0.412 120.346 119.950 -0.026 0.000 2.773 77 F HA 0.527 5.056 4.527 0.002 0.000 0.314 77 F C -1.991 173.821 175.800 0.021 0.000 1.160 77 F CA -1.506 56.515 58.000 0.035 0.000 0.920 77 F CB 1.094 40.117 39.000 0.039 0.000 1.323 77 F HN 0.496 nan 8.300 nan 0.000 0.457 78 Y N -0.489 119.874 120.300 0.105 0.000 2.597 78 Y HA 0.611 5.163 4.550 0.002 0.000 0.340 78 Y C -1.925 174.123 175.900 0.248 0.000 1.097 78 Y CA -1.629 56.519 58.100 0.081 0.000 1.037 78 Y CB 1.438 39.835 38.460 -0.105 0.000 1.305 78 Y HN 0.724 nan 8.280 nan 0.000 0.463 79 N N 1.690 120.542 118.700 0.253 0.000 2.406 79 N HA 0.293 5.035 4.740 0.003 0.000 0.251 79 N C 0.274 175.782 175.510 -0.002 0.000 1.069 79 N CA -0.453 52.665 53.050 0.114 0.000 0.947 79 N CB 1.905 40.556 38.487 0.273 0.000 1.111 79 N HN 0.575 nan 8.380 nan 0.000 0.497 80 V N 1.401 121.182 119.914 -0.220 0.000 2.719 80 V HA 0.010 4.132 4.120 0.003 0.000 0.252 80 V C 1.530 177.909 176.094 0.476 0.000 1.065 80 V CA 1.556 63.839 62.300 -0.028 0.000 1.086 80 V CB -0.589 30.993 31.823 -0.402 0.000 0.700 80 V HN 0.790 nan 8.190 nan 0.000 0.467 81 G N -0.825 108.248 108.800 0.455 0.000 3.434 81 G HA2 0.538 4.499 3.960 0.003 0.000 0.197 81 G HA3 0.538 4.499 3.960 0.003 0.000 0.197 81 G C 0.290 175.239 174.900 0.080 0.000 1.559 81 G CA 0.097 45.346 45.100 0.248 0.000 0.852 81 G HN 0.468 nan 8.290 nan 0.000 0.682 82 A N -0.689 122.161 122.820 0.050 0.000 2.567 82 A HA 0.458 4.779 4.320 0.003 0.000 0.240 82 A C 0.906 178.546 177.584 0.094 0.000 1.053 82 A CA 1.510 53.580 52.037 0.054 0.000 0.755 82 A CB 0.274 19.337 19.000 0.105 0.000 0.978 82 A HN 0.732 nan 8.150 nan 0.000 0.507 83 T N 1.059 115.633 114.554 0.034 0.000 3.029 83 T HA 0.192 4.543 4.350 0.003 0.000 0.256 83 T C 0.390 174.962 174.700 -0.212 0.000 0.914 83 T CA 0.443 62.561 62.100 0.030 0.000 0.880 83 T CB -0.049 68.890 68.868 0.119 0.000 1.246 83 T HN 0.941 nan 8.240 nan 0.000 0.523 84 R N 0.754 121.093 120.500 -0.268 0.000 2.673 84 R HA 0.764 5.105 4.340 0.003 0.000 0.281 84 R C -1.689 174.616 176.300 0.008 0.000 0.991 84 R CA -0.893 54.936 56.100 -0.452 0.000 0.896 84 R CB 1.456 31.180 30.300 -0.959 0.000 1.201 84 R HN 0.178 nan 8.270 nan 0.000 0.457 85 I N 2.536 123.103 120.570 -0.004 0.000 2.478 85 I HA 0.398 4.570 4.170 0.003 0.000 0.287 85 I C -2.374 173.690 176.117 -0.089 0.000 1.042 85 I CA -2.550 58.778 61.300 0.047 0.000 1.067 85 I CB 2.708 40.790 38.000 0.137 0.000 1.233 85 I HN 0.491 nan 8.210 nan 0.000 0.431 86 P HA 0.216 nan 4.420 nan 0.000 0.278 86 P C -0.292 176.819 177.300 -0.315 0.000 1.258 86 P CA -0.327 62.504 63.100 -0.450 0.000 0.811 86 P CB 1.012 32.190 31.700 -0.870 0.000 1.063 87 Q N 0.193 119.877 119.800 -0.193 0.000 2.291 87 Q HA -0.095 4.247 4.340 0.003 0.000 0.205 87 Q C 1.878 177.801 176.000 -0.127 0.000 0.970 87 Q CA 1.896 57.641 55.803 -0.097 0.000 0.876 87 Q CB -0.371 28.343 28.738 -0.039 0.000 0.935 87 Q HN 0.562 nan 8.270 nan 0.000 0.455 88 S N -0.831 114.743 115.700 -0.210 0.000 2.562 88 S HA -0.013 4.459 4.470 0.003 0.000 0.221 88 S C 0.307 174.904 174.600 -0.005 0.000 0.975 88 S CA -0.202 57.944 58.200 -0.090 0.000 0.918 88 S CB -0.024 63.141 63.200 -0.058 0.000 0.772 88 S HN 0.232 nan 8.310 nan 0.000 0.531 89 H N 1.061 120.007 119.070 -0.207 0.000 2.582 89 H HA 0.359 4.917 4.556 0.003 0.000 0.345 89 H C 1.044 176.451 175.328 0.131 0.000 1.104 89 H CA -1.055 54.909 56.048 -0.140 0.000 1.390 89 H CB 0.719 30.415 29.762 -0.109 0.000 1.461 89 H HN 0.134 nan 8.280 nan 0.000 0.551 90 I N 1.645 122.517 120.570 0.503 0.000 2.916 90 I HA -0.217 3.954 4.170 0.003 0.000 0.267 90 I C 1.142 177.464 176.117 0.342 0.000 1.263 90 I CA 0.683 62.181 61.300 0.329 0.000 1.471 90 I CB 0.065 38.239 38.000 0.289 0.000 1.089 90 I HN 0.600 nan 8.210 nan 0.000 0.468 91 T N 1.290 116.065 114.554 0.368 0.000 2.737 91 T HA -0.218 4.134 4.350 0.003 0.000 0.269 91 T C 1.814 176.637 174.700 0.205 0.000 1.040 91 T CA 1.424 63.715 62.100 0.319 0.000 1.142 91 T CB -0.287 68.773 68.868 0.319 0.000 0.861 91 T HN 0.357 nan 8.240 nan 0.000 0.456 92 L N 0.898 122.206 121.223 0.143 0.000 2.093 92 L HA -0.082 4.259 4.340 0.003 0.000 0.208 92 L C 2.494 179.362 176.870 -0.004 0.000 1.085 92 L CA 1.157 56.021 54.840 0.039 0.000 0.755 92 L CB -0.630 41.417 42.059 -0.019 0.000 0.904 92 L HN 0.245 nan 8.230 nan 0.000 0.435 93 D N -0.446 119.953 120.400 -0.003 0.000 2.144 93 D HA -0.199 4.442 4.640 0.003 0.000 0.199 93 D C 2.050 178.249 176.300 -0.168 0.000 0.984 93 D CA 1.499 55.439 54.000 -0.101 0.000 0.834 93 D CB -0.072 40.642 40.800 -0.143 0.000 0.955 93 D HN 0.345 nan 8.370 nan 0.000 0.465 94 Y N 0.847 121.123 120.300 -0.039 0.000 2.314 94 Y HA -0.125 4.426 4.550 0.003 0.000 0.293 94 Y C 2.696 178.450 175.900 -0.244 0.000 1.129 94 Y CA 0.338 58.352 58.100 -0.145 0.000 1.201 94 Y CB -0.525 37.865 38.460 -0.117 0.000 0.999 94 Y HN 0.046 nan 8.280 nan 0.000 0.541 95 C N -0.469 118.813 119.300 -0.031 0.000 2.425 95 C HA -0.173 4.288 4.460 0.003 0.000 0.277 95 C C 2.869 177.800 174.990 -0.098 0.000 1.280 95 C CA 1.144 60.107 59.018 -0.092 0.000 1.744 95 C CB -0.953 26.756 27.740 -0.052 0.000 1.989 95 C HN 0.493 nan 8.230 nan 0.000 0.491 96 R N 1.123 121.571 120.500 -0.087 0.000 2.066 96 R HA -0.159 4.183 4.340 0.003 0.000 0.232 96 R C 2.225 178.476 176.300 -0.082 0.000 1.131 96 R CA 1.873 57.923 56.100 -0.084 0.000 0.955 96 R CB -0.459 29.791 30.300 -0.084 0.000 0.851 96 R HN 0.650 nan 8.270 nan 0.000 0.432 97 E N 0.300 120.443 120.200 -0.096 0.000 2.153 97 E HA -0.169 4.182 4.350 0.003 0.000 0.194 97 E C 1.766 178.328 176.600 -0.062 0.000 0.988 97 E CA 1.080 57.444 56.400 -0.059 0.000 0.811 97 E CB 0.027 29.700 29.700 -0.045 0.000 0.746 97 E HN 0.412 nan 8.360 nan 0.000 0.466 98 L N -0.746 120.386 121.223 -0.152 0.000 2.558 98 L HA 0.220 4.561 4.340 0.003 0.000 0.225 98 L C 1.277 178.071 176.870 -0.128 0.000 1.128 98 L CA 0.327 55.045 54.840 -0.203 0.000 0.868 98 L CB 0.286 42.092 42.059 -0.421 0.000 1.006 98 L HN 0.361 nan 8.230 nan 0.000 0.454 99 G N 0.887 109.629 108.800 -0.096 0.000 2.225 99 G HA2 -0.228 3.734 3.960 0.003 0.000 0.264 99 G HA3 -0.228 3.734 3.960 0.003 0.000 0.264 99 G C -0.048 174.810 174.900 -0.071 0.000 1.060 99 G CA -0.006 45.054 45.100 -0.067 0.000 0.833 99 G HN 0.101 nan 8.290 nan 0.000 0.498 100 V N 1.423 121.283 119.914 -0.091 0.000 2.334 100 V HA 0.312 4.434 4.120 0.003 0.000 0.267 100 V C 0.532 176.596 176.094 -0.049 0.000 1.040 100 V CA -1.054 61.198 62.300 -0.080 0.000 0.866 100 V CB 1.356 33.106 31.823 -0.120 0.000 1.019 100 V HN 0.367 nan 8.190 nan 0.000 0.468 101 E N 5.065 125.248 120.200 -0.029 0.000 2.384 101 E HA 0.251 4.603 4.350 0.003 0.000 0.266 101 E C -0.077 176.534 176.600 0.018 0.000 1.012 101 E CA 0.132 56.527 56.400 -0.008 0.000 0.901 101 E CB 1.544 31.245 29.700 0.002 0.000 0.967 101 E HN 0.746 nan 8.360 nan 0.000 0.435 102 I N -1.007 119.584 120.570 0.035 0.000 2.797 102 I HA 0.474 4.645 4.170 0.003 0.000 0.307 102 I C -0.197 176.011 176.117 0.152 0.000 1.033 102 I CA -0.996 60.360 61.300 0.093 0.000 1.071 102 I CB 1.824 39.878 38.000 0.089 0.000 1.255 102 I HN 0.366 nan 8.210 nan 0.000 0.445 103 Q N 2.794 122.724 119.800 0.218 0.000 2.495 103 Q HA 0.619 4.961 4.340 0.003 0.000 0.287 103 Q C -0.497 175.665 176.000 0.270 0.000 1.078 103 Q CA -1.127 54.820 55.803 0.241 0.000 0.793 103 Q CB 1.755 30.603 28.738 0.184 0.000 1.459 103 Q HN 0.921 nan 8.270 nan 0.000 0.422 104 G N 0.732 109.645 108.800 0.188 0.000 2.380 104 G HA2 0.270 4.231 3.960 0.003 0.000 0.242 104 G HA3 0.270 4.231 3.960 0.003 0.000 0.242 104 G C -1.400 173.461 174.900 -0.065 0.000 1.298 104 G CA -0.280 44.761 45.100 -0.097 0.000 0.878 104 G HN 0.477 nan 8.290 nan 0.000 0.542 105 F N 2.491 122.247 119.950 -0.324 0.000 2.415 105 F HA 0.562 5.090 4.527 0.002 0.000 0.348 105 F C 0.757 176.503 175.800 -0.090 0.000 1.119 105 F CA -0.902 56.959 58.000 -0.232 0.000 1.069 105 F CB 1.576 40.413 39.000 -0.273 0.000 1.124 105 F HN 0.527 nan 8.300 nan 0.000 0.472 106 G N 4.363 112.874 108.800 -0.481 0.000 2.519 106 G HA2 0.013 3.974 3.960 0.003 0.000 0.306 106 G HA3 0.013 3.974 3.960 0.003 0.000 0.306 106 G C 0.227 175.034 174.900 -0.155 0.000 0.965 106 G CA -0.357 44.614 45.100 -0.214 0.000 1.291 106 G HN 0.736 nan 8.290 nan 0.000 0.450 107 N N 0.749 119.531 118.700 0.137 0.000 2.280 107 N HA 0.044 4.785 4.740 0.003 0.000 0.192 107 N C 0.445 176.080 175.510 0.209 0.000 1.109 107 N CA 0.177 53.429 53.050 0.336 0.000 0.855 107 N CB 0.365 39.112 38.487 0.434 0.000 0.974 107 N HN 0.628 nan 8.380 nan 0.000 0.482 108 Q N 0.085 119.934 119.800 0.080 0.000 2.284 108 Q HA 0.379 4.721 4.340 0.003 0.000 0.269 108 Q C -2.064 173.918 176.000 -0.031 0.000 1.026 108 Q CA -0.739 55.058 55.803 -0.010 0.000 0.831 108 Q CB 1.217 29.949 28.738 -0.010 0.000 1.322 108 Q HN 0.005 nan 8.270 nan 0.000 0.419 109 N N 1.609 120.264 118.700 -0.075 0.000 2.503 109 N HA 0.326 5.067 4.740 0.003 0.000 0.287 109 N C -0.463 175.077 175.510 0.050 0.000 1.096 109 N CA 0.337 53.393 53.050 0.010 0.000 0.936 109 N CB 1.972 40.501 38.487 0.070 0.000 1.570 109 N HN 0.665 nan 8.380 nan 0.000 0.504 110 A N 3.157 126.022 122.820 0.074 0.000 2.070 110 A HA -0.083 4.238 4.320 0.003 0.000 0.220 110 A C 1.359 179.082 177.584 0.231 0.000 1.159 110 A CA 1.313 53.436 52.037 0.143 0.000 0.656 110 A CB -0.319 18.735 19.000 0.090 0.000 0.800 110 A HN 0.835 nan 8.150 nan 0.000 0.453 111 N N -0.790 118.032 118.700 0.204 0.000 2.325 111 N HA -0.002 4.740 4.740 0.003 0.000 0.182 111 N C 0.424 176.093 175.510 0.265 0.000 1.088 111 N CA 0.506 53.691 53.050 0.225 0.000 0.879 111 N CB 0.209 38.785 38.487 0.149 0.000 0.983 111 N HN 0.619 nan 8.380 nan 0.000 0.471 112 T N -1.002 113.726 114.554 0.291 0.000 2.754 112 T HA 0.248 4.600 4.350 0.003 0.000 0.286 112 T C -0.135 174.880 174.700 0.524 0.000 0.997 112 T CA -0.227 62.049 62.100 0.292 0.000 0.982 112 T CB 0.574 69.666 68.868 0.374 0.000 1.027 112 T HN -0.184 nan 8.240 nan 0.000 0.529 113 F N 0.205 120.272 119.950 0.196 0.000 2.507 113 F HA 0.606 5.134 4.527 0.003 0.000 0.327 113 F C 0.320 175.964 175.800 -0.260 0.000 1.068 113 F CA -2.082 55.877 58.000 -0.068 0.000 0.965 113 F CB 1.455 40.357 39.000 -0.164 0.000 1.192 113 F HN 0.648 nan 8.300 nan 0.000 0.476 114 V N 0.445 120.203 119.914 -0.260 0.000 2.667 114 V HA 0.691 4.813 4.120 0.003 0.000 0.308 114 V C -0.790 174.959 176.094 -0.575 0.000 1.048 114 V CA -0.527 61.468 62.300 -0.509 0.000 0.928 114 V CB 1.868 33.372 31.823 -0.532 0.000 1.004 114 V HN 0.821 nan 8.190 nan 0.000 0.444 115 N N 2.371 120.524 118.700 -0.911 0.000 2.599 115 N HA 0.426 5.167 4.740 0.003 0.000 0.283 115 N C -2.188 172.919 175.510 -0.672 0.000 1.160 115 N CA -0.177 52.507 53.050 -0.609 0.000 0.869 115 N CB 1.661 39.962 38.487 -0.310 0.000 1.448 115 N HN 0.806 nan 8.380 nan 0.000 0.535 116 Y N 0.093 120.342 120.300 -0.085 0.000 2.576 116 Y HA 0.423 4.974 4.550 0.003 0.000 0.346 116 Y C 0.333 176.186 175.900 -0.078 0.000 1.018 116 Y CA -0.877 57.178 58.100 -0.075 0.000 1.050 116 Y CB 1.085 39.496 38.460 -0.082 0.000 1.280 116 Y HN 0.217 nan 8.280 nan 0.000 0.474 117 Q N 1.556 121.420 119.800 0.107 0.000 2.299 117 Q HA 0.627 4.969 4.340 0.003 0.000 0.246 117 Q C -0.335 175.676 176.000 0.018 0.000 0.935 117 Q CA -0.243 55.579 55.803 0.031 0.000 0.887 117 Q CB 1.753 30.499 28.738 0.014 0.000 1.223 117 Q HN 0.895 nan 8.270 nan 0.000 0.439 118 S N -0.333 115.359 115.700 -0.013 0.000 2.655 118 S HA 0.289 4.761 4.470 0.003 0.000 0.266 118 S C -1.143 173.436 174.600 -0.036 0.000 1.149 118 S CA -0.917 57.266 58.200 -0.028 0.000 0.818 118 S CB 0.855 64.034 63.200 -0.035 0.000 1.130 118 S HN 0.411 nan 8.310 nan 0.000 0.476 119 D N 2.058 122.435 120.400 -0.038 0.000 3.168 119 D HA 0.353 4.995 4.640 0.003 0.000 0.255 119 D C 0.273 176.547 176.300 -0.045 0.000 1.314 119 D CA 0.304 54.282 54.000 -0.038 0.000 0.900 119 D CB 0.220 41.001 40.800 -0.032 0.000 1.072 119 D HN 0.733 nan 8.370 nan 0.000 0.487 120 T N -4.545 109.976 114.554 -0.056 0.000 2.804 120 T HA 0.274 4.625 4.350 0.003 0.000 0.290 120 T C 1.088 175.739 174.700 -0.081 0.000 1.099 120 T CA -0.549 61.509 62.100 -0.069 0.000 1.011 120 T CB 1.671 70.487 68.868 -0.086 0.000 1.291 120 T HN -0.248 nan 8.240 nan 0.000 0.523 121 S N -0.296 115.347 115.700 -0.095 0.000 2.555 121 S HA 0.150 4.622 4.470 0.003 0.000 0.230 121 S C 1.520 176.023 174.600 -0.162 0.000 0.978 121 S CA 0.252 58.389 58.200 -0.106 0.000 0.934 121 S CB -0.697 62.450 63.200 -0.087 0.000 0.766 121 S HN 0.537 nan 8.310 nan 0.000 0.533 122 L N 0.841 121.940 121.223 -0.206 0.000 2.591 122 L HA 0.186 4.527 4.340 0.003 0.000 0.228 122 L C 1.004 177.774 176.870 -0.166 0.000 1.133 122 L CA -0.124 54.558 54.840 -0.264 0.000 0.880 122 L CB -0.096 41.755 42.059 -0.347 0.000 1.033 122 L HN 0.110 nan 8.230 nan 0.000 0.450 123 S N 0.563 116.194 115.700 -0.114 0.000 2.555 123 S HA 0.223 4.694 4.470 0.003 0.000 0.293 123 S C 1.338 175.888 174.600 -0.082 0.000 1.248 123 S CA 0.671 58.825 58.200 -0.075 0.000 1.096 123 S CB 0.040 63.205 63.200 -0.057 0.000 0.881 123 S HN 0.656 nan 8.310 nan 0.000 0.498 124 G N 3.358 112.110 108.800 -0.079 0.000 2.155 124 G HA2 -0.279 3.683 3.960 0.003 0.000 0.257 124 G HA3 -0.279 3.683 3.960 0.003 0.000 0.257 124 G C -0.055 174.771 174.900 -0.124 0.000 0.983 124 G CA 0.633 45.678 45.100 -0.091 0.000 0.676 124 G HN 0.843 nan 8.290 nan 0.000 0.528 125 Q N 0.547 120.254 119.800 -0.155 0.000 2.241 125 Q HA 0.621 4.962 4.340 0.003 0.000 0.254 125 Q C -0.038 175.822 176.000 -0.233 0.000 0.917 125 Q CA -0.420 55.273 55.803 -0.182 0.000 0.919 125 Q CB 0.856 29.475 28.738 -0.198 0.000 1.237 125 Q HN 0.192 nan 8.270 nan 0.000 0.434 126 S N 2.213 117.747 115.700 -0.276 0.000 2.523 126 S HA 0.397 4.869 4.470 0.003 0.000 0.275 126 S C -0.800 173.538 174.600 -0.437 0.000 1.281 126 S CA -0.573 57.384 58.200 -0.405 0.000 1.050 126 S CB 1.013 63.866 63.200 -0.579 0.000 0.937 126 S HN 0.465 nan 8.310 nan 0.000 0.492 127 V N 3.206 122.907 119.914 -0.355 0.000 2.638 127 V HA 0.414 4.535 4.120 0.003 0.000 0.306 127 V C 0.467 176.473 176.094 -0.147 0.000 1.052 127 V CA -1.127 61.062 62.300 -0.185 0.000 0.885 127 V CB 1.985 33.806 31.823 -0.004 0.000 0.999 127 V HN 0.986 nan 8.190 nan 0.000 0.424 128 T N 0.788 115.313 114.554 -0.048 0.000 2.926 128 T HA 0.155 4.506 4.350 0.003 0.000 0.307 128 T C 0.949 175.733 174.700 0.140 0.000 1.059 128 T CA 0.244 62.441 62.100 0.162 0.000 1.122 128 T CB 0.350 69.341 68.868 0.205 0.000 0.972 128 T HN 0.482 nan 8.240 nan 0.000 0.545 129 Y N 1.863 122.276 120.300 0.188 0.000 2.151 129 Y HA -0.228 4.323 4.550 0.002 0.000 0.284 129 Y C 2.959 178.878 175.900 0.033 0.000 1.166 129 Y CA 2.222 60.403 58.100 0.133 0.000 1.163 129 Y CB -0.277 38.250 38.460 0.112 0.000 0.974 129 Y HN 0.736 nan 8.280 nan 0.000 0.511 130 R N 0.128 120.747 120.500 0.197 0.000 2.092 130 R HA -0.088 4.253 4.340 0.003 0.000 0.231 130 R C 2.267 178.590 176.300 0.037 0.000 1.119 130 R CA 1.295 57.445 56.100 0.083 0.000 0.970 130 R CB -0.830 29.515 30.300 0.076 0.000 0.864 130 R HN 0.205 nan 8.270 nan 0.000 0.440 131 A N 1.576 124.429 122.820 0.055 0.000 1.897 131 A HA 0.094 4.415 4.320 0.003 0.000 0.215 131 A C 2.543 180.170 177.584 0.071 0.000 1.181 131 A CA 1.299 53.351 52.037 0.025 0.000 0.620 131 A CB -0.712 18.291 19.000 0.006 0.000 0.821 131 A HN 0.523 nan 8.150 nan 0.000 0.443 132 A N -0.008 122.891 122.820 0.131 0.000 1.902 132 A HA -0.179 4.143 4.320 0.003 0.000 0.217 132 A C 2.125 179.818 177.584 0.183 0.000 1.181 132 A CA 1.903 54.074 52.037 0.224 0.000 0.623 132 A CB -0.437 18.741 19.000 0.298 0.000 0.818 132 A HN 0.536 nan 8.150 nan 0.000 0.443 133 K N -0.434 119.928 120.400 -0.062 0.000 2.057 133 K HA -0.010 4.312 4.320 0.003 0.000 0.206 133 K C 2.339 178.725 176.600 -0.357 0.000 1.050 133 K CA 1.049 57.008 56.287 -0.548 0.000 0.935 133 K CB -0.319 31.847 32.500 -0.556 0.000 0.715 133 K HN 0.431 nan 8.250 nan 0.000 0.439 134 A N 1.878 124.605 122.820 -0.154 0.000 1.902 134 A HA -0.216 4.106 4.320 0.003 0.000 0.217 134 A C 1.588 178.973 177.584 -0.332 0.000 1.181 134 A CA 2.011 53.960 52.037 -0.147 0.000 0.623 134 A CB -0.429 18.549 19.000 -0.038 0.000 0.818 134 A HN 0.174 nan 8.150 nan 0.000 0.443 135 D N -0.763 119.531 120.400 -0.176 0.000 2.103 135 D HA -0.062 4.580 4.640 0.003 0.000 0.199 135 D C 2.116 178.299 176.300 -0.195 0.000 0.978 135 D CA 1.840 55.722 54.000 -0.197 0.000 0.829 135 D CB -0.728 40.191 40.800 0.199 0.000 0.981 135 D HN 0.381 nan 8.370 nan 0.000 0.464 136 T N 0.573 115.092 114.554 -0.059 0.000 2.708 136 T HA -0.130 4.222 4.350 0.003 0.000 0.266 136 T C 1.652 176.383 174.700 0.052 0.000 1.037 136 T CA 0.902 63.009 62.100 0.013 0.000 1.146 136 T CB -0.374 68.500 68.868 0.009 0.000 0.865 136 T HN 0.059 nan 8.240 nan 0.000 0.435 137 F N 1.376 121.327 119.950 0.002 0.000 2.367 137 F HA 0.246 4.775 4.527 0.003 0.000 0.298 137 F C 2.534 178.218 175.800 -0.193 0.000 1.094 137 F CA -0.117 57.875 58.000 -0.014 0.000 1.409 137 F CB -1.367 37.535 39.000 -0.164 0.000 1.064 137 F HN 0.202 nan 8.300 nan 0.000 0.528 138 G N -0.737 107.815 108.800 -0.414 0.000 2.433 138 G HA2 -0.265 3.697 3.960 0.003 0.000 0.216 138 G HA3 -0.265 3.697 3.960 0.003 0.000 0.216 138 G C 1.453 176.090 174.900 -0.439 0.000 1.186 138 G CA 0.719 45.295 45.100 -0.872 0.000 0.779 138 G HN 0.270 nan 8.290 nan 0.000 0.543 139 Y N -0.111 120.064 120.300 -0.209 0.000 2.263 139 Y HA 0.097 4.648 4.550 0.003 0.000 0.292 139 Y C 2.843 178.791 175.900 0.081 0.000 1.130 139 Y CA 0.964 59.082 58.100 0.029 0.000 1.179 139 Y CB -0.498 37.999 38.460 0.062 0.000 0.998 139 Y HN 0.146 nan 8.280 nan 0.000 0.532 140 M N -0.704 119.048 119.600 0.252 0.000 2.082 140 M HA -0.283 4.199 4.480 0.003 0.000 0.258 140 M C 2.123 178.554 176.300 0.218 0.000 1.069 140 M CA 2.194 57.645 55.300 0.252 0.000 1.102 140 M CB -0.171 32.636 32.600 0.345 0.000 1.336 140 M HN 0.151 nan 8.290 nan 0.000 0.404 141 S N 0.146 115.972 115.700 0.211 0.000 2.368 141 S HA -0.192 4.280 4.470 0.003 0.000 0.224 141 S C 1.653 176.340 174.600 0.146 0.000 1.029 141 S CA 1.605 59.913 58.200 0.179 0.000 0.988 141 S CB -0.414 62.886 63.200 0.167 0.000 0.838 141 S HN 0.590 nan 8.310 nan 0.000 0.462 142 E N 1.124 121.416 120.200 0.154 0.000 2.058 142 E HA -0.171 4.181 4.350 0.003 0.000 0.194 142 E C 1.955 178.645 176.600 0.149 0.000 0.997 142 E CA 1.093 57.590 56.400 0.163 0.000 0.801 142 E CB -0.188 29.649 29.700 0.229 0.000 0.746 142 E HN 0.424 nan 8.360 nan 0.000 0.450 143 L N 0.338 121.658 121.223 0.161 0.000 2.056 143 L HA -0.175 4.167 4.340 0.003 0.000 0.207 143 L C 2.651 179.585 176.870 0.107 0.000 1.078 143 L CA 0.468 55.385 54.840 0.129 0.000 0.749 143 L CB -0.340 41.796 42.059 0.129 0.000 0.901 143 L HN 0.275 nan 8.230 nan 0.000 0.433 144 L N 0.202 121.494 121.223 0.115 0.000 2.141 144 L HA -0.182 4.159 4.340 0.003 0.000 0.209 144 L C 2.477 179.399 176.870 0.087 0.000 1.094 144 L CA 1.710 56.608 54.840 0.097 0.000 0.763 144 L CB -0.592 41.531 42.059 0.106 0.000 0.908 144 L HN 0.133 nan 8.230 nan 0.000 0.437 145 K N -0.307 120.150 120.400 0.095 0.000 2.057 145 K HA -0.245 4.077 4.320 0.003 0.000 0.206 145 K C 2.297 178.939 176.600 0.071 0.000 1.050 145 K CA 1.613 57.950 56.287 0.082 0.000 0.935 145 K CB -0.162 32.389 32.500 0.085 0.000 0.715 145 K HN 0.315 nan 8.250 nan 0.000 0.439 146 K N 0.192 120.637 120.400 0.076 0.000 2.026 146 K HA -0.146 4.176 4.320 0.003 0.000 0.208 146 K C 1.967 178.600 176.600 0.054 0.000 1.048 146 K CA 1.384 57.710 56.287 0.065 0.000 0.929 146 K CB -0.238 32.305 32.500 0.072 0.000 0.713 146 K HN 0.220 nan 8.250 nan 0.000 0.439 147 A N 0.654 123.508 122.820 0.056 0.000 1.902 147 A HA -0.120 4.201 4.320 0.003 0.000 0.217 147 A C 2.175 179.784 177.584 0.041 0.000 1.181 147 A CA 2.124 54.189 52.037 0.047 0.000 0.623 147 A CB -0.971 18.058 19.000 0.048 0.000 0.818 147 A HN 0.475 nan 8.150 nan 0.000 0.443 148 T N 0.241 114.822 114.554 0.045 0.000 2.708 148 T HA -0.123 4.229 4.350 0.003 0.000 0.266 148 T C 1.503 176.224 174.700 0.035 0.000 1.037 148 T CA 1.556 63.680 62.100 0.039 0.000 1.146 148 T CB -0.415 68.480 68.868 0.045 0.000 0.865 148 T HN 0.445 nan 8.240 nan 0.000 0.435 149 D N 0.869 121.292 120.400 0.039 0.000 2.144 149 D HA -0.083 4.558 4.640 0.003 0.000 0.199 149 D C 2.154 178.471 176.300 0.029 0.000 0.984 149 D CA 0.850 54.870 54.000 0.034 0.000 0.834 149 D CB -0.361 40.461 40.800 0.037 0.000 0.955 149 D HN 0.432 nan 8.370 nan 0.000 0.465 150 Q N -0.419 119.399 119.800 0.031 0.000 2.226 150 Q HA -0.090 4.252 4.340 0.003 0.000 0.204 150 Q C 0.968 176.981 176.000 0.022 0.000 0.975 150 Q CA 1.528 57.347 55.803 0.027 0.000 0.866 150 Q CB 0.100 28.855 28.738 0.029 0.000 0.915 150 Q HN 0.359 nan 8.270 nan 0.000 0.440 151 G N -1.658 107.156 108.800 0.023 0.000 2.163 151 G HA2 -0.262 3.700 3.960 0.003 0.000 0.213 151 G HA3 -0.262 3.700 3.960 0.003 0.000 0.213 151 G C 0.635 175.545 174.900 0.018 0.000 0.991 151 G CA 0.368 45.479 45.100 0.019 0.000 0.653 151 G HN 0.503 nan 8.290 nan 0.000 0.518 152 A N -0.394 122.439 122.820 0.021 0.000 2.067 152 A HA 0.443 4.765 4.320 0.003 0.000 0.219 152 A C 1.843 179.437 177.584 0.018 0.000 1.158 152 A CA 1.594 53.642 52.037 0.020 0.000 0.661 152 A CB -0.153 18.861 19.000 0.024 0.000 0.801 152 A HN 0.936 nan 8.150 nan 0.000 0.452 153 L N -0.808 120.426 121.223 0.018 0.000 3.110 153 L HA 0.204 4.546 4.340 0.003 0.000 0.266 153 L C 0.254 177.131 176.870 0.011 0.000 1.257 153 L CA -0.278 54.571 54.840 0.014 0.000 1.038 153 L CB 0.371 42.440 42.059 0.016 0.000 1.395 153 L HN 0.035 nan 8.230 nan 0.000 0.566 154 D N 0.248 120.655 120.400 0.011 0.000 2.312 154 D HA -0.103 4.538 4.640 0.003 0.000 0.211 154 D C 1.912 178.215 176.300 0.006 0.000 0.964 154 D CA 0.910 54.915 54.000 0.009 0.000 0.877 154 D CB 0.339 41.145 40.800 0.010 0.000 0.924 154 D HN 0.261 nan 8.370 nan 0.000 0.515 155 Q N -0.170 119.633 119.800 0.005 0.000 2.424 155 Q HA 0.039 4.381 4.340 0.003 0.000 0.204 155 Q C 1.865 177.865 176.000 0.000 0.000 0.933 155 Q CA 0.353 56.157 55.803 0.003 0.000 0.929 155 Q CB 0.728 29.468 28.738 0.003 0.000 1.037 155 Q HN 0.391 nan 8.270 nan 0.000 0.511 156 V N -4.363 115.551 119.914 0.000 0.000 3.548 156 V HA 0.366 4.488 4.120 0.003 0.000 0.279 156 V C 0.517 176.607 176.094 -0.006 0.000 1.446 156 V CA -0.051 62.247 62.300 -0.004 0.000 1.023 156 V CB 0.297 32.117 31.823 -0.004 0.000 0.820 156 V HN -0.019 nan 8.190 nan 0.000 0.438 157 L N 2.244 123.466 121.223 -0.003 0.000 2.385 157 L HA 0.704 5.045 4.340 0.003 0.000 0.273 157 L C 0.427 177.296 176.870 -0.000 0.000 0.990 157 L CA -0.390 54.448 54.840 -0.003 0.000 0.821 157 L CB 2.281 44.340 42.059 0.000 0.000 1.279 157 L HN 0.317 nan 8.230 nan 0.000 0.412 158 S N 1.464 117.162 115.700 -0.002 0.000 2.634 158 S HA 0.211 4.683 4.470 0.003 0.000 0.261 158 S C 0.976 175.578 174.600 0.003 0.000 1.271 158 S CA -0.392 57.808 58.200 -0.000 0.000 0.985 158 S CB 1.366 64.564 63.200 -0.003 0.000 0.968 158 S HN 0.712 nan 8.310 nan 0.000 0.568 159 R N 0.796 121.299 120.500 0.005 0.000 2.091 159 R HA -0.088 4.253 4.340 0.003 0.000 0.238 159 R C 1.820 178.125 176.300 0.009 0.000 1.136 159 R CA 2.176 58.280 56.100 0.008 0.000 0.959 159 R CB -1.084 29.220 30.300 0.007 0.000 0.856 159 R HN 0.827 nan 8.270 nan 0.000 0.437 160 E N 0.239 120.442 120.200 0.005 0.000 2.107 160 E HA -0.089 4.262 4.350 0.003 0.000 0.191 160 E C 1.575 178.178 176.600 0.005 0.000 0.982 160 E CA 1.391 57.794 56.400 0.005 0.000 0.809 160 E CB -0.144 29.558 29.700 0.002 0.000 0.756 160 E HN 0.382 nan 8.360 nan 0.000 0.459 161 D N 0.670 121.070 120.400 0.000 0.000 2.097 161 D HA -0.141 4.501 4.640 0.003 0.000 0.195 161 D C 1.639 177.943 176.300 0.006 0.000 0.989 161 D CA 1.104 55.102 54.000 -0.004 0.000 0.827 161 D CB -0.148 40.646 40.800 -0.010 0.000 0.966 161 D HN 0.125 nan 8.370 nan 0.000 0.456 162 K N 0.419 120.826 120.400 0.012 0.000 2.063 162 K HA -0.128 4.194 4.320 0.003 0.000 0.208 162 K C 1.629 178.248 176.600 0.031 0.000 1.048 162 K CA 1.194 57.495 56.287 0.022 0.000 0.928 162 K CB 0.050 32.563 32.500 0.021 0.000 0.713 162 K HN 0.078 nan 8.250 nan 0.000 0.442 163 D N 0.484 120.900 120.400 0.027 0.000 2.117 163 D HA -0.098 4.544 4.640 0.003 0.000 0.198 163 D C 1.864 178.189 176.300 0.042 0.000 0.982 163 D CA 1.241 55.261 54.000 0.033 0.000 0.828 163 D CB -0.220 40.595 40.800 0.025 0.000 0.967 163 D HN 0.199 nan 8.370 nan 0.000 0.464 164 A N 0.817 123.657 122.820 0.035 0.000 1.902 164 A HA -0.141 4.180 4.320 0.003 0.000 0.217 164 A C 2.159 179.787 177.584 0.073 0.000 1.181 164 A CA 1.040 53.102 52.037 0.042 0.000 0.623 164 A CB -0.725 18.282 19.000 0.013 0.000 0.818 164 A HN 0.240 nan 8.150 nan 0.000 0.443 165 L N -0.108 121.151 121.223 0.060 0.000 2.056 165 L HA -0.082 4.260 4.340 0.003 0.000 0.207 165 L C 2.512 179.470 176.870 0.147 0.000 1.078 165 L CA 2.512 57.409 54.840 0.095 0.000 0.749 165 L CB -0.629 41.462 42.059 0.053 0.000 0.901 165 L HN 0.284 nan 8.230 nan 0.000 0.433 166 S N -0.570 115.189 115.700 0.099 0.000 2.368 166 S HA -0.248 4.223 4.470 0.003 0.000 0.225 166 S C 1.848 176.504 174.600 0.093 0.000 1.030 166 S CA 1.461 59.714 58.200 0.089 0.000 0.999 166 S CB -0.353 62.885 63.200 0.063 0.000 0.844 166 S HN 0.620 nan 8.310 nan 0.000 0.459 167 E N 0.332 120.590 120.200 0.097 0.000 2.058 167 E HA -0.213 4.138 4.350 0.003 0.000 0.194 167 E C 1.893 178.561 176.600 0.115 0.000 0.997 167 E CA 1.230 57.684 56.400 0.090 0.000 0.801 167 E CB -0.259 29.493 29.700 0.086 0.000 0.746 167 E HN 0.524 nan 8.360 nan 0.000 0.450 168 F N 1.237 121.202 119.950 0.026 0.000 2.134 168 F HA -0.145 4.383 4.527 0.003 0.000 0.299 168 F C 1.891 177.738 175.800 0.079 0.000 1.097 168 F CA 1.340 59.360 58.000 0.033 0.000 1.264 168 F CB -0.108 38.881 39.000 -0.017 0.000 1.001 168 F HN 0.015 nan 8.300 nan 0.000 0.479 169 L N -0.863 120.369 121.223 0.016 0.000 2.109 169 L HA -0.171 4.171 4.340 0.003 0.000 0.207 169 L C 2.741 179.597 176.870 -0.024 0.000 1.086 169 L CA 1.298 56.125 54.840 -0.022 0.000 0.760 169 L CB -0.934 41.189 42.059 0.107 0.000 0.910 169 L HN 0.216 nan 8.230 nan 0.000 0.437 170 S N -0.566 115.132 115.700 -0.002 0.000 2.382 170 S HA -0.245 4.226 4.470 0.003 0.000 0.228 170 S C 1.793 176.374 174.600 -0.031 0.000 1.027 170 S CA 1.702 59.904 58.200 0.004 0.000 0.991 170 S CB -0.181 63.030 63.200 0.018 0.000 0.823 170 S HN 0.456 nan 8.310 nan 0.000 0.469 171 D N -0.772 119.585 120.400 -0.073 0.000 2.110 171 D HA -0.083 4.558 4.640 0.003 0.000 0.202 171 D C 1.849 178.062 176.300 -0.145 0.000 0.975 171 D CA 0.867 54.814 54.000 -0.090 0.000 0.839 171 D CB -0.235 40.521 40.800 -0.073 0.000 0.996 171 D HN 0.456 nan 8.370 nan 0.000 0.464 172 F N 1.403 121.078 119.950 -0.458 0.000 2.126 172 F HA -0.037 4.491 4.527 0.003 0.000 0.299 172 F C 2.129 177.786 175.800 -0.237 0.000 1.096 172 F CA 2.063 59.771 58.000 -0.487 0.000 1.255 172 F CB -0.311 38.136 39.000 -0.923 0.000 0.997 172 F HN -0.007 nan 8.300 nan 0.000 0.479 173 G N -1.339 107.394 108.800 -0.112 0.000 3.042 173 G HA2 -0.051 3.911 3.960 0.003 0.000 0.212 173 G HA3 -0.051 3.911 3.960 0.003 0.000 0.212 173 G C -0.043 174.830 174.900 -0.044 0.000 1.166 173 G CA 0.531 45.570 45.100 -0.101 0.000 0.767 173 G HN 0.333 nan 8.290 nan 0.000 0.546 174 D N -0.294 120.080 120.400 -0.042 0.000 2.697 174 D HA -0.161 4.480 4.640 0.003 0.000 0.235 174 D C 0.499 176.840 176.300 0.068 0.000 1.167 174 D CA 0.348 54.355 54.000 0.011 0.000 0.656 174 D CB -1.417 39.395 40.800 0.019 0.000 1.025 174 D HN 0.296 nan 8.370 nan 0.000 0.419 175 L N 0.210 121.466 121.223 0.056 0.000 2.436 175 L HA 0.269 4.611 4.340 0.003 0.000 0.265 175 L C 1.658 178.543 176.870 0.026 0.000 1.168 175 L CA -0.444 54.437 54.840 0.068 0.000 0.815 175 L CB 0.869 42.969 42.059 0.068 0.000 1.109 175 L HN 0.232 nan 8.230 nan 0.000 0.462 176 S N -0.237 115.470 115.700 0.012 0.000 2.598 176 S HA -0.022 4.450 4.470 0.003 0.000 0.256 176 S C 0.651 175.256 174.600 0.008 0.000 1.350 176 S CA -0.489 57.709 58.200 -0.004 0.000 0.984 176 S CB 0.589 63.781 63.200 -0.013 0.000 0.930 176 S HN 0.619 nan 8.310 nan 0.000 0.577 177 D N 0.913 121.314 120.400 0.002 0.000 2.218 177 D HA -0.081 4.561 4.640 0.003 0.000 0.204 177 D C 1.155 177.464 176.300 0.015 0.000 0.976 177 D CA 1.428 55.433 54.000 0.008 0.000 0.853 177 D CB -0.343 40.458 40.800 0.002 0.000 0.939 177 D HN 0.853 nan 8.370 nan 0.000 0.481 178 D N -1.121 119.289 120.400 0.015 0.000 2.342 178 D HA 0.133 4.774 4.640 0.003 0.000 0.221 178 D C 1.270 177.590 176.300 0.033 0.000 1.101 178 D CA 0.417 54.430 54.000 0.022 0.000 0.837 178 D CB 0.124 40.935 40.800 0.017 0.000 0.938 178 D HN 0.166 nan 8.370 nan 0.000 0.508 179 G N 0.707 109.530 108.800 0.038 0.000 2.131 179 G HA2 -0.254 3.708 3.960 0.003 0.000 0.223 179 G HA3 -0.254 3.708 3.960 0.003 0.000 0.223 179 G C -0.012 174.933 174.900 0.075 0.000 0.990 179 G CA -0.382 44.752 45.100 0.056 0.000 0.671 179 G HN 0.425 nan 8.290 nan 0.000 0.521 180 R N -0.749 119.791 120.500 0.067 0.000 2.532 180 R HA 0.514 4.855 4.340 0.003 0.000 0.295 180 R C -0.590 175.764 176.300 0.091 0.000 0.968 180 R CA -0.977 55.177 56.100 0.090 0.000 0.916 180 R CB 1.402 31.739 30.300 0.062 0.000 1.124 180 R HN 0.183 nan 8.270 nan 0.000 0.463 181 Y N 3.444 123.735 120.300 -0.015 0.000 2.393 181 Y HA 0.159 4.711 4.550 0.003 0.000 0.338 181 Y C 0.004 175.837 175.900 -0.112 0.000 1.029 181 Y CA -0.203 57.816 58.100 -0.134 0.000 1.239 181 Y CB 0.415 38.660 38.460 -0.358 0.000 1.170 181 Y HN 0.521 nan 8.280 nan 0.000 0.515 182 L N 6.308 127.124 121.223 -0.679 0.000 3.267 182 L HA 0.484 4.826 4.340 0.003 0.000 0.289 182 L C 0.649 177.110 176.870 -0.681 0.000 1.260 182 L CA 0.125 54.647 54.840 -0.529 0.000 1.034 182 L CB -0.146 41.764 42.059 -0.248 0.000 1.413 182 L HN 0.963 nan 8.230 nan 0.000 0.594 183 G N 0.112 108.134 108.800 -1.297 0.000 2.525 183 G HA2 0.044 4.005 3.960 0.003 0.000 0.685 183 G HA3 0.044 4.005 3.960 0.003 0.000 0.685 183 G C -0.861 173.821 174.900 -0.363 0.000 1.290 183 G CA -0.131 44.515 45.100 -0.756 0.000 0.915 183 G HN 0.162 nan 8.290 nan 0.000 0.548 184 S N -1.987 113.610 115.700 -0.172 0.000 2.558 184 S HA 0.656 5.128 4.470 0.003 0.000 0.277 184 S C 1.273 175.782 174.600 -0.151 0.000 1.143 184 S CA 0.809 58.958 58.200 -0.086 0.000 0.865 184 S CB 0.976 64.202 63.200 0.043 0.000 1.102 184 S HN 2.407 nan 8.310 nan 0.000 0.454 185 S N 3.083 118.700 115.700 -0.138 0.000 2.442 185 S HA -0.104 4.368 4.470 0.003 0.000 0.236 185 S C 1.507 176.022 174.600 -0.141 0.000 1.007 185 S CA 0.855 58.935 58.200 -0.200 0.000 0.965 185 S CB -0.452 62.748 63.200 0.001 0.000 0.773 185 S HN 0.743 nan 8.310 nan 0.000 0.504 186 R N 1.113 121.572 120.500 -0.068 0.000 2.193 186 R HA 0.088 4.430 4.340 0.003 0.000 0.229 186 R C 2.449 178.721 176.300 -0.047 0.000 1.110 186 R CA 1.169 57.248 56.100 -0.036 0.000 0.988 186 R CB -0.275 30.005 30.300 -0.034 0.000 0.871 186 R HN 0.498 nan 8.270 nan 0.000 0.458 187 R N 0.143 120.587 120.500 -0.094 0.000 2.189 187 R HA 0.064 4.405 4.340 0.003 0.000 0.218 187 R C 0.965 177.207 176.300 -0.097 0.000 1.074 187 R CA 0.590 56.634 56.100 -0.094 0.000 0.991 187 R CB 0.094 30.312 30.300 -0.137 0.000 0.883 187 R HN 0.323 nan 8.270 nan 0.000 0.457 188 G N -0.268 108.438 108.800 -0.157 0.000 2.582 188 G HA2 -0.242 3.719 3.960 0.003 0.000 0.222 188 G HA3 -0.242 3.719 3.960 0.003 0.000 0.222 188 G C -1.322 173.393 174.900 -0.307 0.000 1.311 188 G CA -0.840 44.212 45.100 -0.080 0.000 0.915 188 G HN 0.183 nan 8.290 nan 0.000 0.528 189 Y N -0.315 119.991 120.300 0.010 0.000 2.457 189 Y HA 0.484 5.035 4.550 0.003 0.000 0.343 189 Y C 0.764 176.671 175.900 0.011 0.000 0.994 189 Y CA -0.687 57.418 58.100 0.007 0.000 1.031 189 Y CB 2.319 40.788 38.460 0.015 0.000 1.246 189 Y HN 0.481 nan 8.280 nan 0.000 0.449 190 D N 0.475 120.962 120.400 0.145 0.000 2.289 190 D HA -0.027 4.614 4.640 0.003 0.000 0.207 190 D C 0.105 176.468 176.300 0.104 0.000 0.966 190 D CA 0.990 55.048 54.000 0.095 0.000 0.868 190 D CB 0.626 41.456 40.800 0.051 0.000 0.943 190 D HN 0.227 nan 8.370 nan 0.000 0.514 191 S N 0.137 115.921 115.700 0.140 0.000 2.614 191 S HA 0.230 4.701 4.470 0.003 0.000 0.288 191 S C -0.952 173.682 174.600 0.056 0.000 1.137 191 S CA -0.677 57.574 58.200 0.085 0.000 0.992 191 S CB 1.919 65.156 63.200 0.061 0.000 1.026 191 S HN -0.135 nan 8.310 nan 0.000 0.486 192 E N 4.325 124.515 120.200 -0.016 0.000 2.376 192 E HA 0.337 4.689 4.350 0.003 0.000 0.266 192 E C -2.446 174.031 176.600 -0.205 0.000 1.009 192 E CA -1.385 54.932 56.400 -0.139 0.000 0.902 192 E CB 0.500 30.150 29.700 -0.084 0.000 0.972 192 E HN 0.295 nan 8.360 nan 0.000 0.439 193 P HA 0.146 nan 4.420 nan 0.000 0.267 193 P C -0.388 176.816 177.300 -0.160 0.000 1.205 193 P CA 0.141 63.088 63.100 -0.254 0.000 0.765 193 P CB 1.317 32.811 31.700 -0.343 0.000 0.828 194 G N 1.392 110.120 108.800 -0.121 0.000 3.234 194 G HA2 0.694 4.655 3.960 0.003 0.000 0.159 194 G HA3 0.694 4.655 3.960 0.003 0.000 0.159 194 G C -1.050 173.790 174.900 -0.100 0.000 1.175 194 G CA -0.326 44.712 45.100 -0.103 0.000 0.900 194 G HN 0.596 nan 8.290 nan 0.000 0.621 195 A N -1.987 120.772 122.820 -0.102 0.000 2.256 195 A HA 0.780 5.102 4.320 0.003 0.000 0.318 195 A C 1.181 178.681 177.584 -0.139 0.000 1.103 195 A CA 0.879 52.860 52.037 -0.095 0.000 0.860 195 A CB 0.309 19.267 19.000 -0.070 0.000 1.182 195 A HN 2.541 nan 8.150 nan 0.000 0.501 196 G N -0.775 107.954 108.800 -0.118 0.000 2.591 196 G HA2 -0.255 3.707 3.960 0.003 0.000 0.298 196 G HA3 -0.255 3.707 3.960 0.003 0.000 0.298 196 G C 0.486 175.214 174.900 -0.287 0.000 1.195 196 G CA 0.650 45.663 45.100 -0.145 0.000 0.989 196 G HN 1.263 nan 8.290 nan 0.000 0.551 197 L N 1.415 122.398 121.223 -0.400 0.000 2.685 197 L HA 0.285 4.627 4.340 0.003 0.000 0.233 197 L C 0.880 177.131 176.870 -1.032 0.000 1.173 197 L CA 0.034 54.374 54.840 -0.834 0.000 0.961 197 L CB -0.104 41.709 42.059 -0.410 0.000 1.217 197 L HN 0.397 nan 8.230 nan 0.000 0.478 198 N N 0.458 118.780 118.700 -0.629 0.000 2.807 198 N HA 0.076 4.817 4.740 0.003 0.000 0.259 198 N C 0.550 175.860 175.510 -0.334 0.000 1.149 198 N CA -0.231 52.587 53.050 -0.388 0.000 1.042 198 N CB 0.125 38.486 38.487 -0.210 0.000 1.367 198 N HN 0.006 nan 8.380 nan 0.000 0.516 199 F N 1.302 121.239 119.950 -0.023 0.000 2.558 199 F HA 0.281 4.810 4.527 0.003 0.000 0.298 199 F C 1.950 177.730 175.800 -0.034 0.000 1.119 199 F CA 0.609 58.596 58.000 -0.023 0.000 1.451 199 F CB -0.688 38.316 39.000 0.007 0.000 1.091 199 F HN 0.470 nan 8.300 nan 0.000 0.563 200 G N 0.420 109.282 108.800 0.103 0.000 2.829 200 G HA2 -0.017 3.945 3.960 0.003 0.000 0.628 200 G HA3 -0.017 3.945 3.960 0.003 0.000 0.628 200 G C -0.324 174.716 174.900 0.232 0.000 1.412 200 G CA -0.488 44.669 45.100 0.094 0.000 0.864 200 G HN 0.566 nan 8.290 nan 0.000 0.544 201 T N -1.742 112.985 114.554 0.290 0.000 2.890 201 T HA 0.666 5.018 4.350 0.003 0.000 0.295 201 T C -0.194 174.627 174.700 0.201 0.000 0.993 201 T CA -0.354 61.875 62.100 0.214 0.000 0.979 201 T CB 1.908 70.844 68.868 0.114 0.000 0.967 201 T HN 0.749 nan 8.240 nan 0.000 0.441 202 E N 2.239 122.450 120.200 0.019 0.000 2.398 202 E HA 0.142 4.494 4.350 0.003 0.000 0.263 202 E C -0.018 176.469 176.600 -0.188 0.000 1.046 202 E CA -0.364 55.853 56.400 -0.303 0.000 0.908 202 E CB 0.826 30.325 29.700 -0.335 0.000 0.963 202 E HN 0.528 nan 8.360 nan 0.000 0.431 203 K N 2.858 123.117 120.400 -0.234 0.000 2.339 203 K HA 0.125 4.446 4.320 0.003 0.000 0.286 203 K C -0.075 176.392 176.600 -0.222 0.000 1.050 203 K CA -0.053 56.126 56.287 -0.181 0.000 0.956 203 K CB 0.662 33.062 32.500 -0.168 0.000 0.990 203 K HN 0.211 nan 8.250 nan 0.000 0.475 204 K N 3.631 123.907 120.400 -0.207 0.000 2.202 204 K HA 0.198 4.519 4.320 0.003 0.000 0.264 204 K C -2.110 174.299 176.600 -0.320 0.000 1.010 204 K CA -1.603 54.553 56.287 -0.218 0.000 0.940 204 K CB 0.281 32.691 32.500 -0.150 0.000 0.983 204 K HN 0.418 nan 8.250 nan 0.000 0.475 205 P HA 0.126 nan 4.420 nan 0.000 0.278 205 P C -0.709 176.485 177.300 -0.177 0.000 1.238 205 P CA -0.263 62.694 63.100 -0.238 0.000 0.794 205 P CB 0.416 32.032 31.700 -0.140 0.000 0.955 206 F N 0.576 120.617 119.950 0.152 0.000 2.440 206 F HA 0.378 4.907 4.527 0.003 0.000 0.323 206 F C 1.474 177.420 175.800 0.244 0.000 1.192 206 F CA -0.345 57.743 58.000 0.148 0.000 1.252 206 F CB -0.354 38.715 39.000 0.115 0.000 1.214 206 F HN 0.327 nan 8.300 nan 0.000 0.578 207 A N 2.196 125.215 122.820 0.332 0.000 2.332 207 A HA 0.310 4.632 4.320 0.003 0.000 0.258 207 A C 1.271 178.801 177.584 -0.090 0.000 1.087 207 A CA -0.523 51.602 52.037 0.146 0.000 0.802 207 A CB 0.286 19.325 19.000 0.065 0.000 1.042 207 A HN 1.007 nan 8.150 nan 0.000 0.489 208 M N 0.149 119.425 119.600 -0.539 0.000 2.065 208 M HA -0.220 4.261 4.480 0.003 0.000 0.259 208 M C 2.181 178.258 176.300 -0.371 0.000 1.069 208 M CA 2.421 57.120 55.300 -1.002 0.000 1.110 208 M CB -0.289 31.709 32.600 -1.003 0.000 1.328 208 M HN 0.975 nan 8.290 nan 0.000 0.405 209 Q N 0.077 119.750 119.800 -0.211 0.000 2.124 209 Q HA -0.220 4.122 4.340 0.003 0.000 0.202 209 Q C 1.603 177.555 176.000 -0.080 0.000 0.977 209 Q CA 1.976 57.711 55.803 -0.115 0.000 0.850 209 Q CB -0.093 28.599 28.738 -0.078 0.000 0.901 209 Q HN 0.641 nan 8.270 nan 0.000 0.429 210 E N -0.381 119.781 120.200 -0.065 0.000 2.058 210 E HA -0.204 4.147 4.350 0.003 0.000 0.194 210 E C 2.102 178.674 176.600 -0.046 0.000 0.997 210 E CA 1.663 58.031 56.400 -0.053 0.000 0.801 210 E CB -0.083 29.594 29.700 -0.037 0.000 0.746 210 E HN 0.215 nan 8.360 nan 0.000 0.450 211 V N 1.587 121.502 119.914 0.001 0.000 2.295 211 V HA -0.254 3.868 4.120 0.003 0.000 0.246 211 V C 2.290 178.389 176.094 0.008 0.000 1.049 211 V CA 1.573 63.907 62.300 0.057 0.000 1.024 211 V CB -0.396 31.554 31.823 0.212 0.000 0.648 211 V HN 0.255 nan 8.190 nan 0.000 0.447 212 I N -0.628 119.931 120.570 -0.018 0.000 2.252 212 I HA -0.175 3.997 4.170 0.003 0.000 0.245 212 I C 2.643 178.736 176.117 -0.040 0.000 1.102 212 I CA 1.282 62.568 61.300 -0.022 0.000 1.385 212 I CB -0.393 37.592 38.000 -0.026 0.000 1.064 212 I HN 0.203 nan 8.210 nan 0.000 0.414 213 R N 0.638 121.110 120.500 -0.047 0.000 2.236 213 R HA -0.017 4.324 4.340 0.003 0.000 0.208 213 R C 2.396 178.661 176.300 -0.058 0.000 1.036 213 R CA 1.285 57.355 56.100 -0.050 0.000 1.001 213 R CB -0.639 29.633 30.300 -0.047 0.000 0.896 213 R HN 0.469 nan 8.270 nan 0.000 0.464 214 S N -0.271 115.392 115.700 -0.062 0.000 2.428 214 S HA -0.029 4.443 4.470 0.003 0.000 0.230 214 S C 1.482 176.047 174.600 -0.059 0.000 1.014 214 S CA 0.799 58.963 58.200 -0.060 0.000 0.957 214 S CB -0.214 62.941 63.200 -0.076 0.000 0.784 214 S HN 0.442 nan 8.310 nan 0.000 0.499 215 G N 2.140 110.883 108.800 -0.095 0.000 2.249 215 G HA2 -0.283 3.678 3.960 0.003 0.000 0.273 215 G HA3 -0.283 3.678 3.960 0.003 0.000 0.273 215 G C 0.486 175.261 174.900 -0.209 0.000 1.036 215 G CA 0.450 45.444 45.100 -0.176 0.000 0.824 215 G HN 1.078 nan 8.290 nan 0.000 0.504 216 I N -2.884 117.632 120.570 -0.090 0.000 3.001 216 I HA 0.256 4.428 4.170 0.003 0.000 0.268 216 I C 1.834 177.777 176.117 -0.291 0.000 1.267 216 I CA 1.058 62.367 61.300 0.016 0.000 1.472 216 I CB -0.128 37.902 38.000 0.050 0.000 1.089 216 I HN 0.131 nan 8.210 nan 0.000 0.468 217 G N 2.026 110.452 108.800 -0.624 0.000 3.284 217 G HA2 0.054 4.015 3.960 0.003 0.000 0.236 217 G HA3 0.054 4.015 3.960 0.003 0.000 0.236 217 G C 1.610 175.961 174.900 -0.915 0.000 1.158 217 G CA -0.071 44.109 45.100 -1.534 0.000 0.774 217 G HN 0.555 nan 8.290 nan 0.000 0.545 218 R N -0.128 120.055 120.500 -0.528 0.000 2.189 218 R HA 0.038 4.379 4.340 0.003 0.000 0.223 218 R C 1.421 177.623 176.300 -0.163 0.000 1.092 218 R CA 1.285 57.182 56.100 -0.338 0.000 0.989 218 R CB -0.376 29.660 30.300 -0.440 0.000 0.876 218 R HN 0.331 nan 8.270 nan 0.000 0.457 219 N N -0.424 118.234 118.700 -0.070 0.000 2.205 219 N HA 0.020 4.762 4.740 0.003 0.000 0.201 219 N C 0.361 176.108 175.510 0.394 0.000 1.128 219 N CA -0.234 52.934 53.050 0.197 0.000 0.867 219 N CB 0.258 38.934 38.487 0.315 0.000 0.996 219 N HN 0.064 nan 8.380 nan 0.000 0.503 220 F N 1.723 121.783 119.950 0.183 0.000 2.171 220 F HA -0.108 4.420 4.527 0.002 0.000 0.300 220 F C 2.823 178.565 175.800 -0.098 0.000 1.090 220 F CA 0.755 58.824 58.000 0.114 0.000 1.293 220 F CB -1.167 37.921 39.000 0.147 0.000 1.013 220 F HN 0.084 nan 8.300 nan 0.000 0.486 221 S N -0.258 115.546 115.700 0.173 0.000 2.500 221 S HA -0.239 4.233 4.470 0.003 0.000 0.239 221 S C 1.966 176.597 174.600 0.051 0.000 0.989 221 S CA 0.429 58.648 58.200 0.030 0.000 0.951 221 S CB -1.551 61.800 63.200 0.252 0.000 0.759 221 S HN 0.317 nan 8.310 nan 0.000 0.523 222 F N 3.213 123.179 119.950 0.026 0.000 2.154 222 F HA -0.133 4.396 4.527 0.003 0.000 0.301 222 F C 1.571 177.377 175.800 0.011 0.000 1.087 222 F CA 1.875 59.912 58.000 0.063 0.000 1.274 222 F CB -0.507 38.557 39.000 0.107 0.000 1.009 222 F HN 0.140 nan 8.300 nan 0.000 0.485 223 D N -0.260 120.125 120.400 -0.026 0.000 2.221 223 D HA -0.191 4.451 4.640 0.003 0.000 0.204 223 D C 1.757 178.036 176.300 -0.035 0.000 0.982 223 D CA 1.321 55.255 54.000 -0.110 0.000 0.857 223 D CB -0.391 40.258 40.800 -0.252 0.000 0.934 223 D HN 0.320 nan 8.370 nan 0.000 0.475 224 F N 0.231 120.201 119.950 0.034 0.000 2.749 224 F HA 0.292 4.821 4.527 0.003 0.000 0.300 224 F C 1.814 177.599 175.800 -0.024 0.000 1.103 224 F CA -0.633 57.381 58.000 0.023 0.000 1.342 224 F CB -0.805 38.238 39.000 0.072 0.000 1.098 224 F HN -0.252 nan 8.300 nan 0.000 0.586 225 G N -0.362 108.462 108.800 0.040 0.000 2.321 225 G HA2 -0.174 3.788 3.960 0.003 0.000 0.237 225 G HA3 -0.174 3.788 3.960 0.003 0.000 0.237 225 G C 0.647 175.542 174.900 -0.008 0.000 1.282 225 G CA -0.127 44.963 45.100 -0.017 0.000 0.886 225 G HN 0.331 nan 8.290 nan 0.000 0.528 226 Y N 1.626 121.890 120.300 -0.060 0.000 2.165 226 Y HA -0.218 4.334 4.550 0.003 0.000 0.286 226 Y C 2.169 177.951 175.900 -0.197 0.000 1.155 226 Y CA 2.409 60.450 58.100 -0.098 0.000 1.164 226 Y CB 0.216 38.625 38.460 -0.085 0.000 0.978 226 Y HN 0.612 nan 8.280 nan 0.000 0.513 227 D N -1.946 118.244 120.400 -0.350 0.000 2.340 227 D HA 0.013 4.654 4.640 0.003 0.000 0.217 227 D C 1.145 177.180 176.300 -0.442 0.000 1.081 227 D CA 0.266 53.871 54.000 -0.657 0.000 0.842 227 D CB -0.040 40.277 40.800 -0.805 0.000 0.934 227 D HN 0.344 nan 8.370 nan 0.000 0.511 228 Q N -0.156 119.467 119.800 -0.295 0.000 2.210 228 Q HA 0.326 4.668 4.340 0.003 0.000 0.252 228 Q C 0.484 176.372 176.000 -0.187 0.000 0.811 228 Q CA 0.045 55.704 55.803 -0.240 0.000 0.953 228 Q CB 0.893 29.278 28.738 -0.589 0.000 1.136 228 Q HN 0.302 nan 8.270 nan 0.000 0.491 229 A N 2.168 124.884 122.820 -0.173 0.000 2.511 229 A HA 0.218 4.539 4.320 0.003 0.000 0.242 229 A C 0.618 178.166 177.584 -0.059 0.000 1.069 229 A CA 0.002 51.997 52.037 -0.070 0.000 0.763 229 A CB 0.096 19.087 19.000 -0.016 0.000 1.001 229 A HN 0.110 nan 8.150 nan 0.000 0.498 230 M N 2.460 122.055 119.600 -0.009 0.000 2.252 230 M HA 0.100 4.582 4.480 0.003 0.000 0.333 230 M C 0.290 176.586 176.300 -0.007 0.000 1.111 230 M CA 0.571 55.860 55.300 -0.018 0.000 1.140 230 M CB 0.026 32.626 32.600 -0.000 0.000 1.538 230 M HN 0.565 nan 8.290 nan 0.000 0.448 231 M N 3.099 122.704 119.600 0.009 0.000 2.249 231 M HA 0.408 4.890 4.480 0.003 0.000 0.351 231 M C -0.217 175.994 176.300 -0.149 0.000 1.180 231 M CA 0.066 55.327 55.300 -0.065 0.000 1.127 231 M CB 1.086 33.730 32.600 0.074 0.000 1.546 231 M HN 0.508 nan 8.290 nan 0.000 0.461 232 M N 2.387 121.745 119.600 -0.403 0.000 2.664 232 M HA 0.634 5.116 4.480 0.003 0.000 0.314 232 M C -1.078 174.712 176.300 -0.850 0.000 1.200 232 M CA -0.336 54.762 55.300 -0.337 0.000 0.916 232 M CB 1.969 34.535 32.600 -0.057 0.000 1.717 232 M HN 0.488 nan 8.290 nan 0.000 0.470 233 F N -0.853 119.120 119.950 0.038 0.000 2.650 233 F HA 0.730 5.258 4.527 0.002 0.000 0.320 233 F C 0.145 175.947 175.800 0.002 0.000 1.091 233 F CA -0.592 57.433 58.000 0.041 0.000 0.962 233 F CB 2.239 41.245 39.000 0.010 0.000 1.363 233 F HN 0.472 nan 8.300 nan 0.000 0.482 234 T N 1.270 115.920 114.554 0.160 0.000 2.942 234 T HA 0.478 4.830 4.350 0.003 0.000 0.327 234 T C -3.154 171.603 174.700 0.095 0.000 1.360 234 T CA -1.739 60.395 62.100 0.057 0.000 1.055 234 T CB 2.041 70.840 68.868 -0.115 0.000 1.261 234 T HN 0.119 nan 8.240 nan 0.000 0.485 235 P HA 0.266 nan 4.420 nan 0.000 0.276 235 P C -0.547 176.816 177.300 0.106 0.000 1.230 235 P CA -0.404 62.742 63.100 0.076 0.000 0.776 235 P CB 0.468 32.189 31.700 0.036 0.000 0.888 236 V N 3.862 123.832 119.914 0.092 0.000 2.557 236 V HA 0.178 4.300 4.120 0.003 0.000 0.301 236 V C 1.698 177.801 176.094 0.015 0.000 1.026 236 V CA 1.967 64.329 62.300 0.104 0.000 1.137 236 V CB -0.638 31.220 31.823 0.058 0.000 0.917 236 V HN 1.043 nan 8.190 nan 0.000 0.484 237 G N 3.132 111.938 108.800 0.010 0.000 2.176 237 G HA2 0.166 4.128 3.960 0.003 0.000 0.253 237 G HA3 0.166 4.128 3.960 0.003 0.000 0.253 237 G C 0.675 174.996 174.900 -0.964 0.000 0.979 237 G CA -0.136 44.758 45.100 -0.344 0.000 0.641 237 G HN 2.397 nan 8.290 nan 0.000 0.530 238 G N -2.214 106.179 108.800 -0.678 0.000 2.453 238 G HA2 0.358 4.320 3.960 0.003 0.000 0.665 238 G HA3 0.358 4.320 3.960 0.003 0.000 0.665 238 G C 0.202 175.052 174.900 -0.084 0.000 1.411 238 G CA 0.283 45.053 45.100 -0.550 0.000 0.889 238 G HN 1.234 nan 8.290 nan 0.000 0.651 239 M N 1.320 120.968 119.600 0.080 0.000 2.279 239 M HA 0.027 4.508 4.480 0.003 0.000 0.264 239 M C 2.206 178.631 176.300 0.209 0.000 1.062 239 M CA 2.578 57.973 55.300 0.158 0.000 1.099 239 M CB -0.296 32.434 32.600 0.217 0.000 1.394 239 M HN 0.715 nan 8.290 nan 0.000 0.426 240 D N -1.051 119.483 120.400 0.222 0.000 2.350 240 D HA -0.168 4.473 4.640 0.003 0.000 0.216 240 D C 1.454 177.950 176.300 0.327 0.000 0.968 240 D CA 0.669 54.885 54.000 0.360 0.000 0.894 240 D CB -0.552 40.491 40.800 0.406 0.000 0.909 240 D HN 0.291 nan 8.370 nan 0.000 0.520 241 R N 0.438 121.022 120.500 0.140 0.000 2.120 241 R HA 0.024 4.366 4.340 0.003 0.000 0.234 241 R C 2.399 178.680 176.300 -0.032 0.000 1.123 241 R CA 0.369 56.512 56.100 0.070 0.000 0.975 241 R CB -0.697 29.585 30.300 -0.029 0.000 0.866 241 R HN 0.391 nan 8.270 nan 0.000 0.446 242 I N -0.207 120.255 120.570 -0.180 0.000 2.226 242 I HA -0.294 3.878 4.170 0.003 0.000 0.245 242 I C 1.685 177.452 176.117 -0.583 0.000 1.100 242 I CA 1.520 62.518 61.300 -0.505 0.000 1.374 242 I CB -0.308 37.242 38.000 -0.750 0.000 1.057 242 I HN 0.057 nan 8.210 nan 0.000 0.413 243 Y N -1.211 119.171 120.300 0.138 0.000 2.448 243 Y HA -0.068 4.484 4.550 0.002 0.000 0.289 243 Y C 2.200 178.114 175.900 0.023 0.000 1.114 243 Y CA 0.429 58.617 58.100 0.146 0.000 1.235 243 Y CB -0.806 37.688 38.460 0.057 0.000 1.045 243 Y HN 0.043 nan 8.280 nan 0.000 0.554 244 Y N -0.315 120.065 120.300 0.134 0.000 2.242 244 Y HA -0.183 4.368 4.550 0.002 0.000 0.291 244 Y C 2.525 178.454 175.900 0.048 0.000 1.137 244 Y CA 1.065 59.220 58.100 0.091 0.000 1.181 244 Y CB -0.689 37.796 38.460 0.041 0.000 0.989 244 Y HN 0.097 nan 8.280 nan 0.000 0.527 245 A N -0.454 122.414 122.820 0.080 0.000 1.898 245 A HA -0.150 4.172 4.320 0.003 0.000 0.216 245 A C 1.947 179.503 177.584 -0.046 0.000 1.181 245 A CA 1.352 53.365 52.037 -0.039 0.000 0.620 245 A CB -1.169 17.718 19.000 -0.187 0.000 0.819 245 A HN 0.383 nan 8.150 nan 0.000 0.442 246 F N 0.150 120.021 119.950 -0.131 0.000 2.095 246 F HA -0.225 4.303 4.527 0.002 0.000 0.298 246 F C 2.653 178.463 175.800 0.017 0.000 1.104 246 F CA 1.907 59.825 58.000 -0.137 0.000 1.232 246 F CB -0.630 38.273 39.000 -0.162 0.000 0.987 246 F HN 0.388 nan 8.300 nan 0.000 0.475 247 Q N 0.421 120.367 119.800 0.243 0.000 2.077 247 Q HA -0.258 4.083 4.340 0.003 0.000 0.206 247 Q C 1.695 177.809 176.000 0.190 0.000 0.989 247 Q CA 2.222 58.145 55.803 0.200 0.000 0.853 247 Q CB -0.244 28.609 28.738 0.192 0.000 0.907 247 Q HN 0.310 nan 8.270 nan 0.000 0.418 248 D N -0.300 120.205 120.400 0.175 0.000 2.144 248 D HA -0.136 4.506 4.640 0.003 0.000 0.199 248 D C 2.031 178.421 176.300 0.149 0.000 0.984 248 D CA 0.824 54.913 54.000 0.148 0.000 0.834 248 D CB -0.115 40.757 40.800 0.120 0.000 0.955 248 D HN 0.214 nan 8.370 nan 0.000 0.465 249 R N 0.323 120.934 120.500 0.185 0.000 2.075 249 R HA 0.036 4.377 4.340 0.003 0.000 0.232 249 R C 2.549 178.995 176.300 0.243 0.000 1.126 249 R CA 0.341 56.589 56.100 0.245 0.000 0.963 249 R CB -0.688 29.858 30.300 0.409 0.000 0.858 249 R HN 0.319 nan 8.270 nan 0.000 0.435 250 I N 0.062 120.789 120.570 0.260 0.000 2.315 250 I HA -0.099 4.073 4.170 0.003 0.000 0.248 250 I C 0.789 176.975 176.117 0.115 0.000 1.117 250 I CA 1.089 62.500 61.300 0.186 0.000 1.404 250 I CB -0.340 37.756 38.000 0.159 0.000 1.071 250 I HN 0.300 nan 8.210 nan 0.000 0.419 251 G N 0.816 109.687 108.800 0.118 0.000 3.190 251 G HA2 -0.185 3.777 3.960 0.003 0.000 0.686 251 G HA3 -0.185 3.777 3.960 0.003 0.000 0.686 251 G C 0.554 175.505 174.900 0.084 0.000 1.033 251 G CA -0.128 45.028 45.100 0.094 0.000 0.797 251 G HN 0.249 nan 8.290 nan 0.000 0.567 252 T N -0.713 113.906 114.554 0.109 0.000 2.977 252 T HA -0.103 4.249 4.350 0.003 0.000 0.271 252 T C 1.590 176.329 174.700 0.065 0.000 1.105 252 T CA 1.935 64.109 62.100 0.122 0.000 1.116 252 T CB -0.018 68.959 68.868 0.181 0.000 0.878 252 T HN 0.650 nan 8.240 nan 0.000 0.509 253 D N 1.704 122.135 120.400 0.052 0.000 2.264 253 D HA -0.068 4.573 4.640 0.003 0.000 0.208 253 D C 1.734 178.037 176.300 0.005 0.000 0.966 253 D CA 0.708 54.727 54.000 0.032 0.000 0.864 253 D CB -0.239 40.582 40.800 0.035 0.000 0.933 253 D HN 0.353 nan 8.370 nan 0.000 0.499 254 N N -0.425 118.271 118.700 -0.007 0.000 2.236 254 N HA 0.131 4.873 4.740 0.003 0.000 0.196 254 N C -0.369 175.078 175.510 -0.104 0.000 1.114 254 N CA 0.128 53.157 53.050 -0.035 0.000 0.859 254 N CB 1.328 39.809 38.487 -0.010 0.000 0.982 254 N HN 0.292 nan 8.380 nan 0.000 0.493 255 I N 1.110 121.588 120.570 -0.152 0.000 2.418 255 I HA 0.245 4.416 4.170 0.003 0.000 0.287 255 I C -0.551 175.338 176.117 -0.380 0.000 1.008 255 I CA -0.870 60.222 61.300 -0.348 0.000 1.104 255 I CB 2.483 40.171 38.000 -0.520 0.000 1.264 255 I HN -0.370 nan 8.210 nan 0.000 0.438 256 V N 6.608 126.286 119.914 -0.394 0.000 2.334 256 V HA 0.321 4.442 4.120 0.003 0.000 0.267 256 V C -0.084 175.797 176.094 -0.356 0.000 1.040 256 V CA -0.380 61.755 62.300 -0.276 0.000 0.866 256 V CB 0.115 31.805 31.823 -0.222 0.000 1.019 256 V HN 0.358 nan 8.190 nan 0.000 0.468 257 F N 2.056 121.970 119.950 -0.061 0.000 2.380 257 F HA 0.608 5.137 4.527 0.003 0.000 0.325 257 F C 1.504 177.273 175.800 -0.051 0.000 1.136 257 F CA 0.490 58.449 58.000 -0.069 0.000 1.171 257 F CB 0.935 39.910 39.000 -0.040 0.000 1.230 257 F HN 0.696 nan 8.300 nan 0.000 0.554 258 G N 1.059 109.948 108.800 0.149 0.000 2.225 258 G HA2 -0.057 3.905 3.960 0.003 0.000 0.267 258 G HA3 -0.057 3.905 3.960 0.003 0.000 0.267 258 G C -0.188 174.736 174.900 0.041 0.000 1.024 258 G CA 0.082 45.223 45.100 0.070 0.000 0.784 258 G HN 1.072 nan 8.290 nan 0.000 0.507 259 A N 0.134 122.936 122.820 -0.029 0.000 2.322 259 A HA 0.682 5.003 4.320 0.003 0.000 0.327 259 A C 0.200 177.741 177.584 -0.071 0.000 1.394 259 A CA 0.004 52.034 52.037 -0.013 0.000 0.921 259 A CB 0.517 19.375 19.000 -0.238 0.000 1.153 259 A HN 0.545 nan 8.150 nan 0.000 0.523 260 E N 3.131 123.346 120.200 0.026 0.000 2.105 260 E HA 0.388 4.740 4.350 0.003 0.000 0.285 260 E C -0.770 175.880 176.600 0.084 0.000 1.055 260 E CA -0.381 56.020 56.400 0.003 0.000 0.843 260 E CB 0.749 30.498 29.700 0.082 0.000 1.067 260 E HN 0.412 nan 8.360 nan 0.000 0.398 261 V N 4.681 124.616 119.914 0.034 0.000 2.572 261 V HA 0.016 4.138 4.120 0.003 0.000 0.291 261 V C 1.323 177.464 176.094 0.079 0.000 1.039 261 V CA 0.854 63.200 62.300 0.076 0.000 1.055 261 V CB 1.123 32.956 31.823 0.016 0.000 0.969 261 V HN 0.959 nan 8.190 nan 0.000 0.482 262 T N -0.375 114.232 114.554 0.088 0.000 2.955 262 T HA 0.227 4.579 4.350 0.003 0.000 0.251 262 T C 0.575 175.307 174.700 0.053 0.000 1.002 262 T CA 0.336 62.475 62.100 0.065 0.000 0.970 262 T CB 0.522 69.423 68.868 0.056 0.000 1.091 262 T HN 0.558 nan 8.240 nan 0.000 0.495 263 S N 0.416 116.151 115.700 0.058 0.000 2.536 263 S HA 0.724 5.196 4.470 0.003 0.000 0.271 263 S C -1.600 173.030 174.600 0.050 0.000 1.134 263 S CA -0.841 57.387 58.200 0.047 0.000 0.897 263 S CB 1.714 64.936 63.200 0.036 0.000 1.094 263 S HN 0.485 nan 8.310 nan 0.000 0.473 264 M N 4.531 124.156 119.600 0.042 0.000 2.183 264 M HA 0.519 5.001 4.480 0.003 0.000 0.277 264 M C -2.130 174.185 176.300 0.024 0.000 0.995 264 M CA -0.264 55.056 55.300 0.034 0.000 0.969 264 M CB 1.106 33.729 32.600 0.038 0.000 1.659 264 M HN 0.626 nan 8.290 nan 0.000 0.462 265 K N 3.343 123.751 120.400 0.013 0.000 2.468 265 K HA 0.420 4.741 4.320 0.003 0.000 0.252 265 K C -1.176 175.418 176.600 -0.010 0.000 0.932 265 K CA -0.794 55.496 56.287 0.005 0.000 0.794 265 K CB 2.161 34.665 32.500 0.007 0.000 1.241 265 K HN 0.690 nan 8.250 nan 0.000 0.428 266 N N 1.287 119.976 118.700 -0.019 0.000 2.454 266 N HA 0.119 4.861 4.740 0.003 0.000 0.260 266 N C -0.444 175.050 175.510 -0.026 0.000 1.218 266 N CA -0.046 52.985 53.050 -0.032 0.000 0.904 266 N CB 0.622 39.086 38.487 -0.039 0.000 1.065 266 N HN 0.297 nan 8.380 nan 0.000 0.462 267 V N -0.827 119.068 119.914 -0.032 0.000 3.158 267 V HA 0.448 4.570 4.120 0.003 0.000 0.311 267 V C 0.971 177.044 176.094 -0.036 0.000 1.181 267 V CA -0.766 61.518 62.300 -0.027 0.000 1.054 267 V CB 1.555 33.366 31.823 -0.020 0.000 1.085 267 V HN 0.595 nan 8.190 nan 0.000 0.446 268 S N 1.215 116.898 115.700 -0.029 0.000 2.372 268 S HA -0.191 4.281 4.470 0.003 0.000 0.227 268 S C 1.515 176.090 174.600 -0.042 0.000 1.044 268 S CA 2.255 60.436 58.200 -0.031 0.000 1.050 268 S CB -0.433 62.754 63.200 -0.023 0.000 0.901 268 S HN 1.040 nan 8.310 nan 0.000 0.447 269 E N 0.986 121.162 120.200 -0.039 0.000 2.489 269 E HA 0.287 4.638 4.350 0.003 0.000 0.193 269 E C 1.045 177.605 176.600 -0.067 0.000 1.057 269 E CA 0.720 57.093 56.400 -0.045 0.000 0.866 269 E CB 0.170 29.851 29.700 -0.030 0.000 0.916 269 E HN 0.501 nan 8.360 nan 0.000 0.500 270 G N 0.080 108.832 108.800 -0.080 0.000 2.011 270 G HA2 -0.019 3.943 3.960 0.003 0.000 0.054 270 G HA3 -0.019 3.943 3.960 0.003 0.000 0.054 270 G C -1.163 173.690 174.900 -0.079 0.000 0.853 270 G CA -0.179 44.850 45.100 -0.117 0.000 1.135 270 G HN 0.132 nan 8.290 nan 0.000 0.372 271 V N 1.238 121.124 119.914 -0.047 0.000 2.623 271 V HA 0.687 4.809 4.120 0.003 0.000 0.304 271 V C -0.512 175.581 176.094 -0.002 0.000 1.054 271 V CA -0.387 61.899 62.300 -0.023 0.000 0.882 271 V CB 1.674 33.488 31.823 -0.015 0.000 1.002 271 V HN 0.761 nan 8.190 nan 0.000 0.424 272 T N 4.122 118.678 114.554 0.003 0.000 2.771 272 T HA 0.633 4.984 4.350 0.003 0.000 0.281 272 T C -0.449 174.270 174.700 0.033 0.000 0.982 272 T CA -0.364 61.747 62.100 0.019 0.000 0.978 272 T CB 1.536 70.412 68.868 0.012 0.000 0.930 272 T HN 0.381 nan 8.240 nan 0.000 0.447 273 V N 4.199 124.149 119.914 0.060 0.000 2.444 273 V HA 0.373 4.495 4.120 0.003 0.000 0.294 273 V C -0.029 176.156 176.094 0.151 0.000 1.022 273 V CA -0.891 61.462 62.300 0.088 0.000 0.850 273 V CB 1.703 33.570 31.823 0.074 0.000 0.992 273 V HN 0.841 nan 8.190 nan 0.000 0.426 274 E N 4.493 124.764 120.200 0.119 0.000 2.204 274 E HA 0.668 5.019 4.350 0.003 0.000 0.276 274 E C -1.482 175.225 176.600 0.179 0.000 0.974 274 E CA -0.535 55.918 56.400 0.089 0.000 0.815 274 E CB 2.203 31.915 29.700 0.020 0.000 1.119 274 E HN 0.738 nan 8.360 nan 0.000 0.393 275 Y N -2.118 118.176 120.300 -0.010 0.000 2.581 275 Y HA 0.444 4.995 4.550 0.002 0.000 0.337 275 Y C -1.025 174.870 175.900 -0.008 0.000 1.108 275 Y CA -1.174 56.918 58.100 -0.013 0.000 1.033 275 Y CB 1.079 39.522 38.460 -0.028 0.000 1.318 275 Y HN 0.162 nan 8.280 nan 0.000 0.459 276 T N 2.608 117.234 114.554 0.121 0.000 2.767 276 T HA 0.825 5.177 4.350 0.003 0.000 0.284 276 T C -0.631 174.155 174.700 0.144 0.000 0.973 276 T CA -0.140 61.988 62.100 0.046 0.000 0.996 276 T CB 0.875 69.772 68.868 0.047 0.000 0.927 276 T HN 0.993 nan 8.240 nan 0.000 0.456 277 A N 1.653 124.529 122.820 0.093 0.000 2.488 277 A HA 0.747 5.069 4.320 0.003 0.000 0.298 277 A C 0.805 178.432 177.584 0.070 0.000 1.044 277 A CA -0.240 51.879 52.037 0.137 0.000 0.693 277 A CB 0.916 20.080 19.000 0.272 0.000 1.272 277 A HN 1.417 nan 8.150 nan 0.000 0.402 278 G N 0.627 109.467 108.800 0.067 0.000 2.225 278 G HA2 0.146 4.108 3.960 0.003 0.000 0.267 278 G HA3 0.146 4.108 3.960 0.003 0.000 0.267 278 G C 1.749 176.666 174.900 0.029 0.000 1.024 278 G CA 1.557 46.685 45.100 0.046 0.000 0.784 278 G HN 2.926 nan 8.290 nan 0.000 0.507 279 G N -2.333 106.484 108.800 0.029 0.000 2.205 279 G HA2 -0.091 3.870 3.960 0.003 0.000 0.261 279 G HA3 -0.091 3.870 3.960 0.003 0.000 0.261 279 G C 0.485 175.385 174.900 -0.000 0.000 0.980 279 G CA 0.839 45.949 45.100 0.017 0.000 0.632 279 G HN 1.761 nan 8.290 nan 0.000 0.533 280 S N 1.202 116.894 115.700 -0.014 0.000 2.525 280 S HA 0.586 5.058 4.470 0.003 0.000 0.290 280 S C 0.120 174.667 174.600 -0.089 0.000 1.152 280 S CA -0.780 57.394 58.200 -0.045 0.000 1.072 280 S CB 1.494 64.665 63.200 -0.049 0.000 1.027 280 S HN 0.282 nan 8.310 nan 0.000 0.500 281 K N 3.308 123.650 120.400 -0.097 0.000 2.349 281 K HA 0.280 4.602 4.320 0.003 0.000 0.289 281 K C -0.166 176.298 176.600 -0.226 0.000 1.064 281 K CA 0.109 56.311 56.287 -0.141 0.000 0.947 281 K CB 0.434 32.881 32.500 -0.088 0.000 1.007 281 K HN 0.509 nan 8.250 nan 0.000 0.478 282 K N 0.723 120.867 120.400 -0.428 0.000 2.340 282 K HA 0.411 4.732 4.320 0.003 0.000 0.244 282 K C -0.518 175.777 176.600 -0.508 0.000 0.973 282 K CA -0.772 55.180 56.287 -0.559 0.000 0.828 282 K CB 2.198 34.133 32.500 -0.941 0.000 1.226 282 K HN 0.396 nan 8.250 nan 0.000 0.437 283 S N 1.232 116.772 115.700 -0.267 0.000 2.541 283 S HA 0.640 5.112 4.470 0.003 0.000 0.280 283 S C -1.515 173.115 174.600 0.049 0.000 1.112 283 S CA -0.772 57.386 58.200 -0.070 0.000 0.925 283 S CB 0.872 64.046 63.200 -0.043 0.000 1.067 283 S HN 0.585 nan 8.310 nan 0.000 0.479 284 I N 2.972 123.625 120.570 0.139 0.000 2.619 284 I HA 0.582 4.753 4.170 0.003 0.000 0.292 284 I C -1.144 175.016 176.117 0.072 0.000 1.100 284 I CA -0.145 61.228 61.300 0.123 0.000 1.043 284 I CB 2.305 40.412 38.000 0.178 0.000 1.239 284 I HN 0.593 nan 8.210 nan 0.000 0.420 285 T N 6.302 120.883 114.554 0.045 0.000 2.841 285 T HA 0.840 5.192 4.350 0.003 0.000 0.283 285 T C -0.625 174.091 174.700 0.027 0.000 1.000 285 T CA -0.475 61.641 62.100 0.027 0.000 0.977 285 T CB 1.602 70.477 68.868 0.013 0.000 0.979 285 T HN 0.713 nan 8.240 nan 0.000 0.446 286 A N 1.705 124.540 122.820 0.025 0.000 2.532 286 A HA 0.682 5.004 4.320 0.003 0.000 0.290 286 A C 0.399 177.998 177.584 0.024 0.000 1.143 286 A CA -0.691 51.371 52.037 0.041 0.000 0.728 286 A CB 0.997 20.035 19.000 0.063 0.000 1.317 286 A HN 0.660 nan 8.150 nan 0.000 0.414 287 D N -0.643 119.790 120.400 0.056 0.000 2.144 287 D HA 0.011 4.652 4.640 0.003 0.000 0.199 287 D C -0.321 175.829 176.300 -0.249 0.000 0.984 287 D CA 2.198 56.171 54.000 -0.045 0.000 0.834 287 D CB -0.084 40.786 40.800 0.117 0.000 0.955 287 D HN 0.505 nan 8.370 nan 0.000 0.465 288 Y N -1.199 119.143 120.300 0.070 0.000 2.609 288 Y HA 0.581 5.133 4.550 0.002 0.000 0.342 288 Y C -0.337 175.580 175.900 0.028 0.000 1.058 288 Y CA -1.320 56.819 58.100 0.065 0.000 1.055 288 Y CB 2.023 40.512 38.460 0.048 0.000 1.292 288 Y HN -0.228 nan 8.280 nan 0.000 0.476 289 A N 1.823 124.766 122.820 0.204 0.000 2.386 289 A HA 0.833 5.155 4.320 0.003 0.000 0.311 289 A C -1.478 176.153 177.584 0.078 0.000 1.068 289 A CA -0.649 51.439 52.037 0.086 0.000 0.743 289 A CB 0.769 19.781 19.000 0.020 0.000 1.258 289 A HN 0.678 nan 8.150 nan 0.000 0.429 290 I N 1.803 122.380 120.570 0.011 0.000 2.390 290 I HA 0.239 4.411 4.170 0.003 0.000 0.283 290 I C -0.441 175.670 176.117 -0.009 0.000 1.016 290 I CA -0.330 60.968 61.300 -0.004 0.000 1.151 290 I CB 1.411 39.381 38.000 -0.051 0.000 1.293 290 I HN 0.634 nan 8.210 nan 0.000 0.458 291 C N 5.603 124.904 119.300 0.001 0.000 2.246 291 C HA 0.362 4.824 4.460 0.003 0.000 0.329 291 C C 1.626 176.722 174.990 0.176 0.000 1.221 291 C CA -0.149 58.912 59.018 0.073 0.000 1.697 291 C CB -0.580 27.216 27.740 0.094 0.000 2.312 291 C HN 0.906 nan 8.230 nan 0.000 0.509 292 T N 3.338 117.953 114.554 0.102 0.000 3.092 292 T HA 0.291 4.642 4.350 0.003 0.000 0.258 292 T C 0.484 175.236 174.700 0.087 0.000 1.031 292 T CA -0.148 62.021 62.100 0.114 0.000 0.925 292 T CB -0.331 68.555 68.868 0.031 0.000 1.036 292 T HN 0.641 nan 8.240 nan 0.000 0.544 293 I N 3.028 123.637 120.570 0.064 0.000 2.710 293 I HA 0.183 4.354 4.170 0.003 0.000 0.286 293 I C -2.067 174.018 176.117 -0.054 0.000 1.181 293 I CA -2.089 59.212 61.300 0.002 0.000 1.430 293 I CB 0.434 38.436 38.000 0.003 0.000 1.367 293 I HN 0.038 nan 8.210 nan 0.000 0.577 294 P HA -0.013 nan 4.420 nan 0.000 0.265 294 P C -1.849 175.201 177.300 -0.417 0.000 1.193 294 P CA -0.870 62.047 63.100 -0.305 0.000 0.765 294 P CB 0.043 31.556 31.700 -0.310 0.000 0.823 295 P HA -0.230 nan 4.420 nan 0.000 0.216 295 P C 1.231 178.415 177.300 -0.192 0.000 1.150 295 P CA 1.793 64.713 63.100 -0.300 0.000 0.837 295 P CB -0.473 31.014 31.700 -0.354 0.000 0.786 296 H N -0.615 118.345 119.070 -0.184 0.000 2.521 296 H HA 0.067 4.625 4.556 0.002 0.000 0.286 296 H C 1.733 177.020 175.328 -0.068 0.000 1.034 296 H CA 0.589 56.565 56.048 -0.119 0.000 1.278 296 H CB -1.099 28.591 29.762 -0.119 0.000 1.386 296 H HN 0.204 nan 8.280 nan 0.000 0.567 297 L N 0.413 121.380 121.223 -0.426 0.000 2.513 297 L HA 0.047 4.389 4.340 0.003 0.000 0.222 297 L C 2.415 179.224 176.870 -0.101 0.000 1.096 297 L CA -0.031 54.667 54.840 -0.237 0.000 0.857 297 L CB 0.234 42.126 42.059 -0.278 0.000 1.026 297 L HN 0.028 nan 8.230 nan 0.000 0.469 298 V N 0.598 120.457 119.914 -0.092 0.000 2.427 298 V HA -0.162 3.959 4.120 0.003 0.000 0.248 298 V C 2.647 178.750 176.094 0.016 0.000 1.051 298 V CA 2.016 64.313 62.300 -0.005 0.000 1.048 298 V CB -1.075 30.764 31.823 0.025 0.000 0.666 298 V HN 0.556 nan 8.190 nan 0.000 0.456 299 G N 0.109 108.908 108.800 -0.003 0.000 2.462 299 G HA2 -0.253 3.709 3.960 0.003 0.000 0.220 299 G HA3 -0.253 3.709 3.960 0.003 0.000 0.220 299 G C 1.706 176.616 174.900 0.018 0.000 1.121 299 G CA 0.622 45.730 45.100 0.013 0.000 0.758 299 G HN 0.475 nan 8.290 nan 0.000 0.559 300 R N -0.423 120.084 120.500 0.011 0.000 2.148 300 R HA 0.129 4.470 4.340 0.003 0.000 0.227 300 R C 0.722 177.038 176.300 0.026 0.000 1.103 300 R CA -0.076 56.034 56.100 0.017 0.000 0.983 300 R CB -0.348 29.960 30.300 0.013 0.000 0.874 300 R HN 0.301 nan 8.270 nan 0.000 0.451 301 L N 2.118 123.360 121.223 0.032 0.000 2.461 301 L HA 0.001 4.343 4.340 0.003 0.000 0.272 301 L C 0.523 177.416 176.870 0.038 0.000 1.197 301 L CA 0.005 54.869 54.840 0.040 0.000 0.836 301 L CB 0.289 42.378 42.059 0.050 0.000 1.105 301 L HN 0.122 nan 8.230 nan 0.000 0.477 302 Q N 3.879 123.700 119.800 0.035 0.000 2.337 302 Q HA 0.148 4.490 4.340 0.003 0.000 0.270 302 Q C -0.509 175.513 176.000 0.037 0.000 1.002 302 Q CA 0.244 56.066 55.803 0.031 0.000 0.888 302 Q CB 0.492 29.245 28.738 0.026 0.000 1.222 302 Q HN 0.655 nan 8.270 nan 0.000 0.400 303 N N 0.820 119.542 118.700 0.036 0.000 2.927 303 N HA 0.146 4.888 4.740 0.003 0.000 0.248 303 N C -1.244 174.287 175.510 0.034 0.000 1.443 303 N CA -0.724 52.350 53.050 0.041 0.000 0.870 303 N CB 0.811 39.335 38.487 0.061 0.000 1.444 303 N HN 0.521 nan 8.380 nan 0.000 0.519 304 N N 0.230 118.949 118.700 0.032 0.000 2.480 304 N HA 0.230 4.972 4.740 0.003 0.000 0.281 304 N C -0.749 174.780 175.510 0.032 0.000 1.381 304 N CA -0.370 52.695 53.050 0.025 0.000 0.903 304 N CB -0.035 38.460 38.487 0.013 0.000 1.274 304 N HN 0.474 nan 8.380 nan 0.000 0.505 305 L N 0.351 121.606 121.223 0.053 0.000 2.439 305 L HA 0.373 4.714 4.340 0.003 0.000 0.269 305 L C -1.795 175.109 176.870 0.056 0.000 1.179 305 L CA -1.599 53.284 54.840 0.072 0.000 0.828 305 L CB 0.100 42.235 42.059 0.126 0.000 1.106 305 L HN -0.025 nan 8.230 nan 0.000 0.467 306 P HA 0.056 nan 4.420 nan 0.000 0.272 306 P C 0.726 178.052 177.300 0.044 0.000 1.223 306 P CA -0.219 62.905 63.100 0.040 0.000 0.784 306 P CB 0.777 32.497 31.700 0.034 0.000 0.923 307 G N 1.942 110.763 108.800 0.034 0.000 2.469 307 G HA2 -0.271 3.691 3.960 0.003 0.000 0.220 307 G HA3 -0.271 3.691 3.960 0.003 0.000 0.220 307 G C 1.007 175.929 174.900 0.037 0.000 1.136 307 G CA 0.933 46.052 45.100 0.033 0.000 0.759 307 G HN 0.635 nan 8.290 nan 0.000 0.562 308 D N 0.489 120.911 120.400 0.037 0.000 2.269 308 D HA -0.050 4.591 4.640 0.003 0.000 0.208 308 D C 2.334 178.663 176.300 0.049 0.000 0.963 308 D CA 0.661 54.685 54.000 0.040 0.000 0.864 308 D CB -0.525 40.296 40.800 0.035 0.000 0.936 308 D HN 0.273 nan 8.370 nan 0.000 0.505 309 V N 0.839 120.787 119.914 0.057 0.000 2.407 309 V HA -0.115 4.007 4.120 0.003 0.000 0.245 309 V C 2.780 178.900 176.094 0.043 0.000 1.041 309 V CA 0.807 63.149 62.300 0.069 0.000 1.040 309 V CB -0.439 31.459 31.823 0.125 0.000 0.671 309 V HN 0.172 nan 8.190 nan 0.000 0.455 310 L N -0.216 121.035 121.223 0.047 0.000 2.083 310 L HA -0.174 4.167 4.340 0.003 0.000 0.209 310 L C 2.607 179.494 176.870 0.028 0.000 1.083 310 L CA 1.866 56.725 54.840 0.033 0.000 0.752 310 L CB -0.959 41.123 42.059 0.037 0.000 0.899 310 L HN 0.350 nan 8.230 nan 0.000 0.433 311 T N -0.162 114.414 114.554 0.038 0.000 2.777 311 T HA -0.126 4.226 4.350 0.003 0.000 0.266 311 T C 2.027 176.766 174.700 0.065 0.000 1.040 311 T CA 1.244 63.371 62.100 0.045 0.000 1.141 311 T CB -0.181 68.714 68.868 0.045 0.000 0.868 311 T HN 0.440 nan 8.240 nan 0.000 0.444 312 A N 1.228 124.093 122.820 0.075 0.000 1.933 312 A HA 0.002 4.323 4.320 0.003 0.000 0.218 312 A C 2.253 179.933 177.584 0.160 0.000 1.175 312 A CA 1.197 53.312 52.037 0.130 0.000 0.628 312 A CB -0.861 18.204 19.000 0.107 0.000 0.814 312 A HN 0.482 nan 8.150 nan 0.000 0.444 313 L N -0.892 120.360 121.223 0.047 0.000 2.131 313 L HA -0.178 4.164 4.340 0.003 0.000 0.210 313 L C 2.370 179.223 176.870 -0.028 0.000 1.092 313 L CA 1.493 56.321 54.840 -0.021 0.000 0.759 313 L CB -0.302 41.695 42.059 -0.103 0.000 0.903 313 L HN 0.337 nan 8.230 nan 0.000 0.435 314 K N -0.160 120.244 120.400 0.007 0.000 2.365 314 K HA -0.023 4.299 4.320 0.003 0.000 0.199 314 K C 2.093 178.686 176.600 -0.011 0.000 1.045 314 K CA 0.860 57.145 56.287 -0.005 0.000 0.962 314 K CB -0.095 32.414 32.500 0.014 0.000 0.759 314 K HN 0.263 nan 8.250 nan 0.000 0.469 315 A N 1.445 124.295 122.820 0.050 0.000 2.066 315 A HA 0.067 4.389 4.320 0.003 0.000 0.218 315 A C 1.330 178.863 177.584 -0.085 0.000 1.157 315 A CA 0.807 52.905 52.037 0.102 0.000 0.670 315 A CB -0.143 19.049 19.000 0.319 0.000 0.804 315 A HN 0.232 nan 8.150 nan 0.000 0.453 316 A N 1.532 124.094 122.820 -0.430 0.000 2.805 316 A HA 0.416 4.738 4.320 0.003 0.000 0.301 316 A C -0.069 177.254 177.584 -0.436 0.000 1.557 316 A CA -0.454 51.051 52.037 -0.886 0.000 1.254 316 A CB -0.219 18.078 19.000 -1.171 0.000 1.114 316 A HN 0.195 nan 8.150 nan 0.000 0.553 317 K N 3.451 123.669 120.400 -0.303 0.000 2.298 317 K HA 0.303 4.625 4.320 0.003 0.000 0.280 317 K C -2.591 173.859 176.600 -0.251 0.000 1.032 317 K CA -2.043 54.118 56.287 -0.209 0.000 0.958 317 K CB 0.716 33.146 32.500 -0.116 0.000 0.978 317 K HN 0.412 nan 8.250 nan 0.000 0.472 318 P HA 0.062 nan 4.420 nan 0.000 0.274 318 P C -0.412 176.724 177.300 -0.274 0.000 1.246 318 P CA -0.273 62.576 63.100 -0.418 0.000 0.795 318 P CB 0.825 32.134 31.700 -0.652 0.000 1.006 319 S N -0.837 114.677 115.700 -0.310 0.000 2.661 319 S HA 0.556 5.028 4.470 0.003 0.000 0.285 319 S C -0.672 173.738 174.600 -0.317 0.000 1.138 319 S CA -0.778 57.244 58.200 -0.296 0.000 0.855 319 S CB 1.326 64.307 63.200 -0.365 0.000 1.136 319 S HN 0.385 nan 8.310 nan 0.000 0.484 320 S N 0.455 116.017 115.700 -0.229 0.000 2.462 320 S HA 0.784 5.256 4.470 0.003 0.000 0.294 320 S C -0.753 173.758 174.600 -0.149 0.000 1.144 320 S CA -0.319 57.801 58.200 -0.132 0.000 1.088 320 S CB 0.703 63.879 63.200 -0.041 0.000 1.009 320 S HN 0.951 nan 8.310 nan 0.000 0.484 321 S N 2.194 117.874 115.700 -0.033 0.000 2.552 321 S HA 0.821 5.293 4.470 0.003 0.000 0.272 321 S C -0.658 174.166 174.600 0.372 0.000 1.150 321 S CA -0.053 58.226 58.200 0.132 0.000 0.849 321 S CB 1.305 64.484 63.200 -0.034 0.000 1.113 321 S HN 1.190 nan 8.310 nan 0.000 0.458 322 G N 2.091 111.161 108.800 0.449 0.000 2.623 322 G HA2 0.663 4.625 3.960 0.003 0.000 0.290 322 G HA3 0.663 4.625 3.960 0.003 0.000 0.290 322 G C -2.264 172.933 174.900 0.496 0.000 1.437 322 G CA -0.687 44.671 45.100 0.431 0.000 0.798 322 G HN 0.659 nan 8.290 nan 0.000 0.488 323 K N -0.535 120.039 120.400 0.291 0.000 2.508 323 K HA 0.677 4.998 4.320 0.003 0.000 0.260 323 K C -1.647 174.731 176.600 -0.370 0.000 0.949 323 K CA -0.775 55.534 56.287 0.037 0.000 0.834 323 K CB 3.219 35.840 32.500 0.203 0.000 1.365 323 K HN 0.402 nan 8.250 nan 0.000 0.437 324 L N 0.481 121.162 121.223 -0.904 0.000 2.436 324 L HA 0.646 4.988 4.340 0.003 0.000 0.268 324 L C -0.858 175.580 176.870 -0.720 0.000 0.974 324 L CA -0.342 54.048 54.840 -0.750 0.000 0.826 324 L CB 1.933 43.342 42.059 -1.084 0.000 1.291 324 L HN 0.792 nan 8.230 nan 0.000 0.406 325 G N 5.341 113.748 108.800 -0.655 0.000 2.415 325 G HA2 0.669 4.630 3.960 0.003 0.000 0.327 325 G HA3 0.669 4.630 3.960 0.003 0.000 0.327 325 G C -1.134 173.660 174.900 -0.177 0.000 1.182 325 G CA -0.494 44.158 45.100 -0.747 0.000 0.924 325 G HN 0.523 nan 8.290 nan 0.000 0.470 326 I N 1.109 121.518 120.570 -0.268 0.000 2.436 326 I HA 0.268 4.439 4.170 0.003 0.000 0.289 326 I C -0.042 175.888 176.117 -0.311 0.000 1.010 326 I CA -0.652 60.506 61.300 -0.237 0.000 1.098 326 I CB 2.395 40.134 38.000 -0.434 0.000 1.266 326 I HN 0.494 nan 8.210 nan 0.000 0.434 327 E N 6.186 126.272 120.200 -0.190 0.000 2.194 327 E HA 0.264 4.615 4.350 0.003 0.000 0.284 327 E C -1.609 174.884 176.600 -0.179 0.000 1.035 327 E CA -0.363 55.914 56.400 -0.205 0.000 0.836 327 E CB 0.763 30.407 29.700 -0.093 0.000 1.070 327 E HN 0.386 nan 8.360 nan 0.000 0.401 328 Y N 1.724 122.014 120.300 -0.016 0.000 2.361 328 Y HA 0.089 4.641 4.550 0.003 0.000 0.332 328 Y C 1.377 177.280 175.900 0.006 0.000 1.101 328 Y CA -0.364 57.784 58.100 0.080 0.000 1.137 328 Y CB 2.002 40.636 38.460 0.291 0.000 1.207 328 Y HN 0.614 nan 8.280 nan 0.000 0.463 329 S N 1.738 117.536 115.700 0.164 0.000 2.631 329 S HA 0.232 4.704 4.470 0.003 0.000 0.217 329 S C 0.345 174.958 174.600 0.023 0.000 0.958 329 S CA -0.298 57.926 58.200 0.041 0.000 0.920 329 S CB -0.072 63.143 63.200 0.024 0.000 0.776 329 S HN 0.695 nan 8.310 nan 0.000 0.517 330 R N 0.657 121.195 120.500 0.063 0.000 2.548 330 R HA 0.359 4.701 4.340 0.003 0.000 0.280 330 R C -1.243 174.888 176.300 -0.282 0.000 1.061 330 R CA -0.583 55.486 56.100 -0.053 0.000 0.915 330 R CB 1.104 31.431 30.300 0.045 0.000 1.210 330 R HN 0.144 nan 8.270 nan 0.000 0.442 331 R N 5.134 125.255 120.500 -0.632 0.000 4.071 331 R HA 0.075 4.417 4.340 0.003 0.000 0.220 331 R C 0.944 176.381 176.300 -1.439 0.000 1.614 331 R CA -0.202 54.943 56.100 -1.592 0.000 1.505 331 R CB 0.085 29.611 30.300 -1.289 0.000 1.384 331 R HN 0.656 nan 8.270 nan 0.000 0.758 332 W N 0.808 121.605 121.300 -0.838 0.000 2.392 332 W HA -0.209 4.453 4.660 0.002 0.000 0.279 332 W C 0.655 176.944 176.519 -0.384 0.000 1.225 332 W CA 0.439 57.524 57.345 -0.434 0.000 1.233 332 W CB -0.901 28.436 29.460 -0.206 0.000 1.122 332 W HN 0.481 nan 8.180 nan 0.000 0.561 333 W N 1.666 122.398 121.300 -0.947 0.000 2.402 333 W HA 0.044 4.705 4.660 0.002 0.000 0.286 333 W C 1.794 177.936 176.519 -0.629 0.000 1.221 333 W CA 1.641 58.427 57.345 -0.932 0.000 1.257 333 W CB -1.240 27.255 29.460 -1.609 0.000 1.120 333 W HN -0.102 nan 8.180 nan 0.000 0.551 334 E N 0.542 120.114 120.200 -1.047 0.000 2.051 334 E HA -0.148 4.203 4.350 0.003 0.000 0.189 334 E C 2.419 178.728 176.600 -0.486 0.000 0.979 334 E CA 2.023 57.867 56.400 -0.927 0.000 0.803 334 E CB -0.366 28.577 29.700 -1.263 0.000 0.761 334 E HN 0.385 nan 8.360 nan 0.000 0.451 335 T N -1.037 113.264 114.554 -0.422 0.000 2.904 335 T HA -0.046 4.305 4.350 0.003 0.000 0.267 335 T C 1.669 176.322 174.700 -0.080 0.000 1.059 335 T CA 0.975 62.956 62.100 -0.199 0.000 1.137 335 T CB -0.030 68.729 68.868 -0.181 0.000 0.879 335 T HN 0.063 nan 8.240 nan 0.000 0.467 336 E N 0.604 120.782 120.200 -0.037 0.000 2.206 336 E HA 0.040 4.391 4.350 0.003 0.000 0.195 336 E C 1.204 177.858 176.600 0.089 0.000 0.935 336 E CA 0.596 57.030 56.400 0.057 0.000 0.875 336 E CB 0.335 30.110 29.700 0.126 0.000 0.841 336 E HN 0.443 nan 8.360 nan 0.000 0.477 337 D N 0.139 120.587 120.400 0.079 0.000 2.369 337 D HA 0.063 4.704 4.640 0.003 0.000 0.211 337 D C -0.050 176.286 176.300 0.060 0.000 1.077 337 D CA 0.051 54.123 54.000 0.120 0.000 0.842 337 D CB 0.524 41.407 40.800 0.138 0.000 0.947 337 D HN -0.079 nan 8.370 nan 0.000 0.509 338 R N 0.382 120.887 120.500 0.007 0.000 3.516 338 R HA -0.186 4.155 4.340 0.003 0.000 0.271 338 R C -0.334 176.022 176.300 0.093 0.000 1.098 338 R CA 0.337 56.485 56.100 0.081 0.000 0.732 338 R CB -2.901 27.475 30.300 0.127 0.000 1.152 338 R HN 0.346 nan 8.270 nan 0.000 0.455 339 I N 1.044 121.557 120.570 -0.095 0.000 2.312 339 I HA 0.209 4.381 4.170 0.003 0.000 0.290 339 I C 0.076 176.114 176.117 -0.131 0.000 1.008 339 I CA -0.538 60.684 61.300 -0.130 0.000 1.226 339 I CB 0.727 38.451 38.000 -0.460 0.000 1.371 339 I HN -0.026 nan 8.210 nan 0.000 0.468 340 Y N 5.194 125.470 120.300 -0.039 0.000 2.575 340 Y HA 0.550 5.102 4.550 0.003 0.000 0.326 340 Y C 0.875 176.834 175.900 0.099 0.000 0.979 340 Y CA -0.354 57.769 58.100 0.039 0.000 1.286 340 Y CB 1.419 39.766 38.460 -0.188 0.000 1.093 340 Y HN 0.830 nan 8.280 nan 0.000 0.501 341 G N 1.438 110.423 108.800 0.307 0.000 2.741 341 G HA2 0.274 4.236 3.960 0.003 0.000 0.222 341 G HA3 0.274 4.236 3.960 0.003 0.000 0.222 341 G C 0.122 175.109 174.900 0.144 0.000 1.364 341 G CA -0.218 45.011 45.100 0.215 0.000 0.866 341 G HN 1.610 nan 8.290 nan 0.000 0.555 342 G N -1.889 106.949 108.800 0.064 0.000 2.760 342 G HA2 0.500 4.461 3.960 0.003 0.000 0.246 342 G HA3 0.500 4.461 3.960 0.003 0.000 0.246 342 G C 0.117 175.135 174.900 0.196 0.000 1.359 342 G CA 0.934 46.096 45.100 0.104 0.000 0.861 342 G HN 2.930 nan 8.290 nan 0.000 0.541 343 A N -0.765 122.186 122.820 0.219 0.000 2.486 343 A HA 0.889 5.210 4.320 0.003 0.000 0.300 343 A C 0.068 177.850 177.584 0.330 0.000 1.048 343 A CA 0.667 52.834 52.037 0.216 0.000 0.696 343 A CB 1.661 20.742 19.000 0.135 0.000 1.278 343 A HN 1.897 nan 8.150 nan 0.000 0.405 344 S N 0.777 116.681 115.700 0.339 0.000 2.584 344 S HA 0.487 4.958 4.470 0.003 0.000 0.273 344 S C 0.018 174.744 174.600 0.211 0.000 1.311 344 S CA -0.333 58.075 58.200 0.345 0.000 1.034 344 S CB 0.812 64.272 63.200 0.433 0.000 0.939 344 S HN 0.750 nan 8.310 nan 0.000 0.513 345 N N 0.218 119.009 118.700 0.152 0.000 2.238 345 N HA 0.657 5.398 4.740 0.003 0.000 0.302 345 N C -1.053 174.442 175.510 -0.025 0.000 1.072 345 N CA -0.258 52.859 53.050 0.111 0.000 0.792 345 N CB 2.025 40.650 38.487 0.228 0.000 1.425 345 N HN 0.530 nan 8.380 nan 0.000 0.478 346 T N -0.073 114.523 114.554 0.070 0.000 2.802 346 T HA 0.213 4.564 4.350 0.003 0.000 0.311 346 T C -0.634 174.193 174.700 0.211 0.000 1.405 346 T CA -0.550 61.564 62.100 0.023 0.000 1.016 346 T CB 0.689 69.537 68.868 -0.035 0.000 1.352 346 T HN 0.624 nan 8.240 nan 0.000 0.498 347 D N 1.088 121.648 120.400 0.267 0.000 2.349 347 D HA 0.109 4.751 4.640 0.003 0.000 0.215 347 D C 0.441 176.796 176.300 0.093 0.000 1.016 347 D CA 0.244 54.353 54.000 0.183 0.000 0.870 347 D CB -0.047 40.862 40.800 0.182 0.000 0.917 347 D HN 0.428 nan 8.370 nan 0.000 0.524 348 K N 0.695 121.138 120.400 0.071 0.000 2.286 348 K HA 0.010 4.332 4.320 0.003 0.000 0.256 348 K C 0.635 177.277 176.600 0.070 0.000 0.999 348 K CA -0.259 56.058 56.287 0.049 0.000 0.908 348 K CB 0.595 33.118 32.500 0.038 0.000 0.981 348 K HN -0.195 nan 8.250 nan 0.000 0.500 349 D N 1.283 121.719 120.400 0.059 0.000 2.158 349 D HA -0.183 4.459 4.640 0.003 0.000 0.197 349 D C 1.717 178.164 176.300 0.245 0.000 0.995 349 D CA 1.402 55.462 54.000 0.100 0.000 0.846 349 D CB -0.289 40.477 40.800 -0.057 0.000 0.941 349 D HN 0.578 nan 8.370 nan 0.000 0.456 350 I N -1.939 118.780 120.570 0.249 0.000 2.335 350 I HA -0.244 3.928 4.170 0.003 0.000 0.251 350 I C 1.239 177.441 176.117 0.141 0.000 1.129 350 I CA 0.960 62.383 61.300 0.206 0.000 1.402 350 I CB -0.141 37.992 38.000 0.221 0.000 1.069 350 I HN -0.180 nan 8.210 nan 0.000 0.424 351 S N 0.203 115.971 115.700 0.114 0.000 1.616 351 S HA -0.312 4.160 4.470 0.003 0.000 0.237 351 S C 0.420 175.063 174.600 0.072 0.000 0.811 351 S CA 1.837 60.085 58.200 0.081 0.000 1.381 351 S CB -1.155 62.073 63.200 0.046 0.000 1.728 351 S HN 0.970 nan 8.310 nan 0.000 0.522 352 Q N -0.466 119.385 119.800 0.085 0.000 2.578 352 Q HA 0.767 5.109 4.340 0.003 0.000 0.284 352 Q C -1.877 174.161 176.000 0.063 0.000 0.960 352 Q CA -0.984 54.864 55.803 0.075 0.000 0.809 352 Q CB 1.377 30.149 28.738 0.057 0.000 1.462 352 Q HN 0.433 nan 8.270 nan 0.000 0.392 353 I N 1.912 122.482 120.570 -0.000 0.000 2.439 353 I HA 0.405 4.576 4.170 0.003 0.000 0.285 353 I C -0.759 175.117 176.117 -0.401 0.000 1.021 353 I CA -0.788 60.405 61.300 -0.178 0.000 1.091 353 I CB 1.797 39.704 38.000 -0.155 0.000 1.242 353 I HN 0.527 nan 8.210 nan 0.000 0.439 354 M N 6.246 125.577 119.600 -0.448 0.000 2.167 354 M HA 0.500 4.982 4.480 0.003 0.000 0.333 354 M C -1.075 174.824 176.300 -0.669 0.000 1.030 354 M CA -0.422 54.660 55.300 -0.364 0.000 0.963 354 M CB 1.327 33.906 32.600 -0.035 0.000 1.589 354 M HN 0.243 nan 8.290 nan 0.000 0.431 355 F N 3.641 123.402 119.950 -0.315 0.000 2.379 355 F HA 0.536 5.065 4.527 0.003 0.000 0.332 355 F C -1.742 173.823 175.800 -0.391 0.000 1.096 355 F CA -2.003 55.656 58.000 -0.568 0.000 1.105 355 F CB 0.378 39.001 39.000 -0.629 0.000 1.189 355 F HN 0.349 nan 8.300 nan 0.000 0.515 356 P HA 0.032 nan 4.420 nan 0.000 0.274 356 P C -0.700 176.464 177.300 -0.226 0.000 1.237 356 P CA -0.075 62.801 63.100 -0.374 0.000 0.793 356 P CB 0.454 31.920 31.700 -0.389 0.000 0.977 357 Y N -1.194 118.988 120.300 -0.196 0.000 2.507 357 Y HA 0.354 4.906 4.550 0.003 0.000 0.254 357 Y C -0.034 175.528 175.900 -0.563 0.000 1.171 357 Y CA -0.936 57.039 58.100 -0.209 0.000 1.238 357 Y CB -0.281 38.098 38.460 -0.135 0.000 1.148 357 Y HN 0.155 nan 8.280 nan 0.000 0.525 358 D N -2.235 117.718 120.400 -0.744 0.000 2.566 358 D HA 0.183 4.824 4.640 0.003 0.000 0.254 358 D C -0.105 175.863 176.300 -0.554 0.000 1.090 358 D CA -0.861 52.728 54.000 -0.686 0.000 1.034 358 D CB 0.346 40.831 40.800 -0.526 0.000 1.434 358 D HN 0.211 nan 8.370 nan 0.000 0.509 359 H N -1.305 117.565 119.070 -0.334 0.000 2.741 359 H HA -0.199 4.359 4.556 0.003 0.000 0.305 359 H C -0.615 174.677 175.328 -0.060 0.000 1.169 359 H CA 0.521 56.479 56.048 -0.151 0.000 1.144 359 H CB -2.298 27.404 29.762 -0.100 0.000 1.397 359 H HN 0.369 nan 8.280 nan 0.000 0.409 360 Y N 0.993 121.379 120.300 0.143 0.000 2.712 360 Y HA -0.055 4.497 4.550 0.003 0.000 0.333 360 Y C 1.710 177.688 175.900 0.130 0.000 1.225 360 Y CA 0.457 58.658 58.100 0.167 0.000 1.499 360 Y CB 0.287 38.888 38.460 0.235 0.000 1.288 360 Y HN 0.277 nan 8.280 nan 0.000 0.575 361 N N -1.117 117.738 118.700 0.257 0.000 2.828 361 N HA -0.220 4.522 4.740 0.003 0.000 0.248 361 N C 0.146 175.677 175.510 0.035 0.000 1.044 361 N CA 1.048 54.169 53.050 0.119 0.000 0.851 361 N CB -1.279 37.304 38.487 0.159 0.000 1.136 361 N HN 0.662 nan 8.380 nan 0.000 0.572 362 S N -0.099 115.619 115.700 0.029 0.000 2.552 362 S HA 0.364 4.835 4.470 0.003 0.000 0.271 362 S C 1.106 175.665 174.600 -0.069 0.000 1.168 362 S CA 0.270 58.477 58.200 0.012 0.000 1.026 362 S CB 1.144 64.387 63.200 0.071 0.000 1.120 362 S HN 0.199 nan 8.310 nan 0.000 0.514 363 D N -0.653 119.707 120.400 -0.068 0.000 2.367 363 D HA 0.101 4.742 4.640 0.003 0.000 0.207 363 D C 0.709 176.925 176.300 -0.140 0.000 1.034 363 D CA -0.060 53.880 54.000 -0.100 0.000 0.861 363 D CB -0.134 40.626 40.800 -0.067 0.000 0.943 363 D HN 0.734 nan 8.370 nan 0.000 0.515 364 R N -1.652 118.749 120.500 -0.165 0.000 2.733 364 R HA 0.676 5.018 4.340 0.003 0.000 0.272 364 R C -0.911 175.287 176.300 -0.169 0.000 1.029 364 R CA -0.920 55.055 56.100 -0.207 0.000 0.888 364 R CB 1.300 31.398 30.300 -0.336 0.000 1.251 364 R HN -0.021 nan 8.270 nan 0.000 0.464 365 G N 0.222 108.986 108.800 -0.061 0.000 2.489 365 G HA2 0.411 4.373 3.960 0.003 0.000 0.291 365 G HA3 0.411 4.373 3.960 0.003 0.000 0.291 365 G C -1.863 173.031 174.900 -0.011 0.000 1.487 365 G CA -0.668 44.482 45.100 0.084 0.000 0.795 365 G HN 0.346 nan 8.290 nan 0.000 0.513 366 V N 0.577 120.357 119.914 -0.223 0.000 2.394 366 V HA 0.544 4.666 4.120 0.003 0.000 0.282 366 V C 0.115 175.913 176.094 -0.493 0.000 1.031 366 V CA -0.625 61.412 62.300 -0.439 0.000 0.881 366 V CB 1.314 32.715 31.823 -0.703 0.000 0.982 366 V HN 0.591 nan 8.190 nan 0.000 0.451 367 V N 5.668 125.287 119.914 -0.492 0.000 2.435 367 V HA 0.307 4.429 4.120 0.003 0.000 0.290 367 V C 0.105 175.882 176.094 -0.528 0.000 1.030 367 V CA -0.648 61.279 62.300 -0.622 0.000 0.881 367 V CB 2.044 33.498 31.823 -0.615 0.000 0.983 367 V HN 0.622 nan 8.190 nan 0.000 0.445 368 V N 5.422 125.020 119.914 -0.527 0.000 2.364 368 V HA 0.146 4.267 4.120 0.003 0.000 0.252 368 V C 1.352 177.250 176.094 -0.327 0.000 1.075 368 V CA 0.639 62.658 62.300 -0.468 0.000 1.033 368 V CB 0.339 31.984 31.823 -0.297 0.000 1.116 368 V HN 1.075 nan 8.190 nan 0.000 0.488 369 A N 5.331 127.978 122.820 -0.288 0.000 2.066 369 A HA 0.110 4.432 4.320 0.003 0.000 0.218 369 A C 0.705 178.317 177.584 0.046 0.000 1.157 369 A CA 1.091 53.102 52.037 -0.044 0.000 0.670 369 A CB -0.095 18.923 19.000 0.031 0.000 0.804 369 A HN 0.985 nan 8.150 nan 0.000 0.453 370 Y N -4.967 115.275 120.300 -0.097 0.000 2.552 370 Y HA 0.624 5.175 4.550 0.002 0.000 0.337 370 Y C -1.323 174.598 175.900 0.035 0.000 1.094 370 Y CA -2.625 55.427 58.100 -0.080 0.000 1.028 370 Y CB 0.658 38.961 38.460 -0.262 0.000 1.321 370 Y HN 0.092 nan 8.280 nan 0.000 0.456 371 Y N 3.123 123.548 120.300 0.209 0.000 2.344 371 Y HA 0.692 5.244 4.550 0.003 0.000 0.328 371 Y C -1.392 174.634 175.900 0.211 0.000 1.067 371 Y CA -1.305 56.928 58.100 0.223 0.000 1.247 371 Y CB 1.218 39.782 38.460 0.172 0.000 1.113 371 Y HN 0.912 nan 8.280 nan 0.000 0.465 372 S N 2.935 118.801 115.700 0.277 0.000 2.599 372 S HA 0.979 5.451 4.470 0.003 0.000 0.294 372 S C -0.942 173.740 174.600 0.137 0.000 1.094 372 S CA -0.690 57.560 58.200 0.082 0.000 0.931 372 S CB 2.309 65.557 63.200 0.080 0.000 1.093 372 S HN 0.435 nan 8.310 nan 0.000 0.488 373 S N -0.301 115.454 115.700 0.092 0.000 2.579 373 S HA 0.910 5.381 4.470 0.003 0.000 0.272 373 S C 0.517 175.174 174.600 0.096 0.000 1.141 373 S CA -0.072 58.203 58.200 0.125 0.000 0.843 373 S CB 1.011 64.345 63.200 0.223 0.000 1.122 373 S HN 2.041 nan 8.310 nan 0.000 0.468 374 G N 2.354 111.196 108.800 0.070 0.000 2.574 374 G HA2 -0.349 3.612 3.960 0.003 0.000 0.286 374 G HA3 -0.349 3.612 3.960 0.003 0.000 0.286 374 G C 0.803 175.727 174.900 0.040 0.000 1.212 374 G CA 0.920 46.053 45.100 0.054 0.000 0.979 374 G HN 0.814 nan 8.290 nan 0.000 0.557 375 K N 0.539 120.960 120.400 0.034 0.000 2.113 375 K HA -0.069 4.253 4.320 0.003 0.000 0.208 375 K C 2.561 179.170 176.600 0.016 0.000 1.047 375 K CA 1.903 58.200 56.287 0.016 0.000 0.928 375 K CB -0.199 32.307 32.500 0.011 0.000 0.716 375 K HN 0.470 nan 8.250 nan 0.000 0.446 376 R N -0.258 120.266 120.500 0.041 0.000 2.276 376 R HA -0.060 4.282 4.340 0.003 0.000 0.203 376 R C 2.034 178.419 176.300 0.142 0.000 1.017 376 R CA 0.683 56.820 56.100 0.061 0.000 1.010 376 R CB 0.112 30.457 30.300 0.075 0.000 0.900 376 R HN 0.227 nan 8.270 nan 0.000 0.469 377 Q N 1.081 120.959 119.800 0.130 0.000 2.297 377 Q HA -0.035 4.306 4.340 0.003 0.000 0.203 377 Q C 1.189 177.269 176.000 0.134 0.000 0.931 377 Q CA 1.253 57.167 55.803 0.186 0.000 0.885 377 Q CB 0.375 29.199 28.738 0.143 0.000 0.991 377 Q HN 0.242 nan 8.270 nan 0.000 0.498 378 E N -0.130 120.101 120.200 0.051 0.000 2.209 378 E HA -0.172 4.179 4.350 0.003 0.000 0.196 378 E C 1.612 178.187 176.600 -0.043 0.000 0.993 378 E CA 0.849 57.254 56.400 0.007 0.000 0.819 378 E CB -0.139 29.555 29.700 -0.011 0.000 0.745 378 E HN 0.484 nan 8.360 nan 0.000 0.477 379 A N 0.079 122.835 122.820 -0.107 0.000 2.067 379 A HA -0.120 4.201 4.320 0.003 0.000 0.219 379 A C 1.534 178.841 177.584 -0.462 0.000 1.158 379 A CA 1.036 52.888 52.037 -0.309 0.000 0.661 379 A CB -0.286 18.444 19.000 -0.452 0.000 0.801 379 A HN 0.191 nan 8.150 nan 0.000 0.452 380 F N -1.039 118.838 119.950 -0.121 0.000 2.653 380 F HA 0.162 4.691 4.527 0.002 0.000 0.288 380 F C 2.080 177.855 175.800 -0.040 0.000 1.121 380 F CA 0.336 58.267 58.000 -0.114 0.000 1.384 380 F CB -0.181 38.679 39.000 -0.234 0.000 1.115 380 F HN 0.161 nan 8.300 nan 0.000 0.599 381 E N 0.418 120.699 120.200 0.136 0.000 2.086 381 E HA -0.222 4.129 4.350 0.003 0.000 0.205 381 E C 1.751 178.381 176.600 0.050 0.000 1.027 381 E CA 1.995 58.447 56.400 0.086 0.000 0.830 381 E CB -0.275 29.453 29.700 0.047 0.000 0.751 381 E HN 0.214 nan 8.360 nan 0.000 0.456 382 S N 0.188 115.900 115.700 0.020 0.000 2.593 382 S HA 0.113 4.584 4.470 0.003 0.000 0.217 382 S C 0.642 175.245 174.600 0.005 0.000 0.966 382 S CA -0.082 58.120 58.200 0.004 0.000 0.914 382 S CB 0.128 63.320 63.200 -0.014 0.000 0.776 382 S HN 0.096 nan 8.310 nan 0.000 0.523 383 L N 2.813 124.048 121.223 0.020 0.000 2.397 383 L HA 0.237 4.578 4.340 0.003 0.000 0.271 383 L C 1.191 178.087 176.870 0.043 0.000 1.148 383 L CA -0.653 54.202 54.840 0.024 0.000 0.825 383 L CB 0.311 42.392 42.059 0.036 0.000 1.117 383 L HN 0.173 nan 8.230 nan 0.000 0.456 384 T N -2.719 111.851 114.554 0.027 0.000 2.795 384 T HA -0.077 4.275 4.350 0.003 0.000 0.314 384 T C 1.063 175.788 174.700 0.043 0.000 1.069 384 T CA -0.044 62.078 62.100 0.036 0.000 1.071 384 T CB 0.616 69.498 68.868 0.023 0.000 0.988 384 T HN 0.679 nan 8.240 nan 0.000 0.543 385 H N 0.766 119.835 119.070 -0.002 0.000 2.353 385 H HA -0.052 4.505 4.556 0.003 0.000 0.300 385 H C 2.487 177.828 175.328 0.022 0.000 1.090 385 H CA 2.185 58.228 56.048 -0.008 0.000 1.327 385 H CB -0.117 29.600 29.762 -0.075 0.000 1.383 385 H HN 0.722 nan 8.280 nan 0.000 0.508 386 R N 0.074 120.510 120.500 -0.107 0.000 2.096 386 R HA -0.140 4.201 4.340 0.003 0.000 0.235 386 R C 2.265 178.513 176.300 -0.088 0.000 1.127 386 R CA 1.881 57.920 56.100 -0.102 0.000 0.968 386 R CB -0.023 30.271 30.300 -0.009 0.000 0.861 386 R HN 0.506 nan 8.270 nan 0.000 0.440 387 Q N -0.442 119.331 119.800 -0.046 0.000 2.123 387 Q HA -0.093 4.249 4.340 0.003 0.000 0.199 387 Q C 2.195 178.211 176.000 0.027 0.000 0.966 387 Q CA 1.430 57.226 55.803 -0.012 0.000 0.845 387 Q CB 0.045 28.780 28.738 -0.004 0.000 0.907 387 Q HN 0.329 nan 8.270 nan 0.000 0.439 388 R N 0.246 120.773 120.500 0.045 0.000 2.083 388 R HA -0.173 4.169 4.340 0.003 0.000 0.237 388 R C 2.290 178.696 176.300 0.177 0.000 1.137 388 R CA 1.227 57.464 56.100 0.228 0.000 0.951 388 R CB -0.465 29.974 30.300 0.233 0.000 0.851 388 R HN 0.168 nan 8.270 nan 0.000 0.434 389 L N 0.759 121.931 121.223 -0.086 0.000 2.017 389 L HA -0.121 4.221 4.340 0.003 0.000 0.208 389 L C 2.263 179.163 176.870 0.049 0.000 1.073 389 L CA 2.051 56.852 54.840 -0.065 0.000 0.745 389 L CB -0.676 41.268 42.059 -0.191 0.000 0.894 389 L HN 0.156 nan 8.230 nan 0.000 0.432 390 A N -0.591 122.249 122.820 0.032 0.000 1.902 390 A HA -0.279 4.043 4.320 0.003 0.000 0.217 390 A C 2.468 180.108 177.584 0.094 0.000 1.181 390 A CA 2.061 54.130 52.037 0.053 0.000 0.623 390 A CB -0.651 18.364 19.000 0.025 0.000 0.818 390 A HN 0.526 nan 8.150 nan 0.000 0.443 391 K N -0.376 120.095 120.400 0.118 0.000 2.057 391 K HA -0.042 4.280 4.320 0.003 0.000 0.206 391 K C 2.139 178.883 176.600 0.240 0.000 1.050 391 K CA 1.181 57.549 56.287 0.135 0.000 0.935 391 K CB -0.338 32.214 32.500 0.086 0.000 0.715 391 K HN 0.345 nan 8.250 nan 0.000 0.439 392 A N 1.196 124.225 122.820 0.348 0.000 1.902 392 A HA -0.131 4.190 4.320 0.003 0.000 0.217 392 A C 2.066 179.852 177.584 0.335 0.000 1.181 392 A CA 1.490 53.757 52.037 0.384 0.000 0.623 392 A CB -0.528 18.699 19.000 0.379 0.000 0.818 392 A HN 0.357 nan 8.150 nan 0.000 0.443 393 I N -0.542 120.201 120.570 0.289 0.000 2.353 393 I HA -0.200 3.971 4.170 0.003 0.000 0.248 393 I C 2.950 179.216 176.117 0.249 0.000 1.119 393 I CA 0.833 62.343 61.300 0.350 0.000 1.417 393 I CB -0.309 37.822 38.000 0.219 0.000 1.078 393 I HN 0.350 nan 8.210 nan 0.000 0.421 394 A N 0.725 123.636 122.820 0.152 0.000 1.858 394 A HA -0.228 4.094 4.320 0.003 0.000 0.216 394 A C 2.221 179.839 177.584 0.056 0.000 1.190 394 A CA 1.762 53.852 52.037 0.088 0.000 0.617 394 A CB -0.592 18.444 19.000 0.059 0.000 0.827 394 A HN 0.432 nan 8.150 nan 0.000 0.443 395 E N -0.869 119.372 120.200 0.067 0.000 2.106 395 E HA -0.080 4.272 4.350 0.003 0.000 0.192 395 E C 2.114 178.678 176.600 -0.060 0.000 0.984 395 E CA 0.688 57.103 56.400 0.026 0.000 0.806 395 E CB -0.330 29.415 29.700 0.075 0.000 0.750 395 E HN 0.612 nan 8.360 nan 0.000 0.458 396 G N 1.369 110.081 108.800 -0.146 0.000 2.422 396 G HA2 -0.274 3.687 3.960 0.003 0.000 0.218 396 G HA3 -0.274 3.687 3.960 0.003 0.000 0.218 396 G C 1.733 176.257 174.900 -0.626 0.000 1.140 396 G CA 1.028 45.727 45.100 -0.669 0.000 0.775 396 G HN 0.367 nan 8.290 nan 0.000 0.545 397 S N 0.564 116.142 115.700 -0.204 0.000 2.423 397 S HA -0.033 4.438 4.470 0.003 0.000 0.231 397 S C 1.858 176.434 174.600 -0.040 0.000 1.014 397 S CA 1.424 59.611 58.200 -0.022 0.000 0.965 397 S CB -0.211 63.039 63.200 0.084 0.000 0.785 397 S HN 0.542 nan 8.310 nan 0.000 0.495 398 E N 0.600 120.765 120.200 -0.058 0.000 2.347 398 E HA 0.116 4.468 4.350 0.003 0.000 0.196 398 E C 1.615 178.174 176.600 -0.069 0.000 1.008 398 E CA 0.930 57.299 56.400 -0.051 0.000 0.852 398 E CB -0.138 29.536 29.700 -0.044 0.000 0.783 398 E HN 0.650 nan 8.360 nan 0.000 0.505 399 I N -0.623 119.896 120.570 -0.085 0.000 3.039 399 I HA -0.052 4.120 4.170 0.003 0.000 0.270 399 I C 1.675 177.750 176.117 -0.070 0.000 1.150 399 I CA 0.463 61.712 61.300 -0.086 0.000 1.448 399 I CB 0.237 38.194 38.000 -0.071 0.000 1.197 399 I HN 0.130 nan 8.210 nan 0.000 0.450 400 H N 0.780 119.900 119.070 0.083 0.000 2.755 400 H HA 0.339 4.896 4.556 0.003 0.000 0.273 400 H C 0.756 176.119 175.328 0.057 0.000 1.055 400 H CA 0.802 56.965 56.048 0.191 0.000 1.191 400 H CB 0.792 30.696 29.762 0.236 0.000 1.536 400 H HN 0.375 nan 8.280 nan 0.000 0.529 401 G N 1.188 110.033 108.800 0.075 0.000 2.685 401 G HA2 -0.242 3.719 3.960 0.003 0.000 0.387 401 G HA3 -0.242 3.719 3.960 0.003 0.000 0.387 401 G C 0.667 175.569 174.900 0.002 0.000 1.324 401 G CA -0.094 45.022 45.100 0.026 0.000 0.878 401 G HN 0.318 nan 8.290 nan 0.000 0.527 402 E N 0.515 120.706 120.200 -0.014 0.000 2.204 402 E HA -0.178 4.174 4.350 0.003 0.000 0.195 402 E C 2.507 179.062 176.600 -0.075 0.000 0.990 402 E CA 1.408 57.797 56.400 -0.018 0.000 0.821 402 E CB -0.164 29.527 29.700 -0.015 0.000 0.750 402 E HN 0.664 nan 8.360 nan 0.000 0.477 403 K N 0.301 120.595 120.400 -0.176 0.000 2.211 403 K HA -0.232 4.089 4.320 0.003 0.000 0.204 403 K C 1.821 178.056 176.600 -0.608 0.000 1.047 403 K CA 1.347 57.403 56.287 -0.387 0.000 0.935 403 K CB -0.435 31.771 32.500 -0.490 0.000 0.728 403 K HN 0.138 nan 8.250 nan 0.000 0.452 404 Y N 3.184 123.136 120.300 -0.581 0.000 2.403 404 Y HA -0.180 4.371 4.550 0.003 0.000 0.291 404 Y C 2.302 178.236 175.900 0.057 0.000 1.143 404 Y CA 1.895 59.790 58.100 -0.342 0.000 1.257 404 Y CB -0.076 38.330 38.460 -0.090 0.000 0.984 404 Y HN 0.403 nan 8.280 nan 0.000 0.550 405 T N -2.208 112.395 114.554 0.081 0.000 3.081 405 T HA 0.234 4.586 4.350 0.003 0.000 0.250 405 T C 0.676 175.418 174.700 0.069 0.000 1.100 405 T CA -0.283 61.875 62.100 0.097 0.000 1.038 405 T CB -0.005 68.911 68.868 0.080 0.000 0.962 405 T HN 0.022 nan 8.240 nan 0.000 0.516 406 R N 1.279 121.815 120.500 0.060 0.000 2.720 406 R HA 0.391 4.732 4.340 0.003 0.000 0.272 406 R C -0.463 175.949 176.300 0.186 0.000 0.991 406 R CA -0.612 55.530 56.100 0.070 0.000 1.010 406 R CB 0.559 30.866 30.300 0.012 0.000 1.141 406 R HN 0.153 nan 8.270 nan 0.000 0.494 407 D N 0.764 121.250 120.400 0.143 0.000 2.800 407 D HA -0.184 4.458 4.640 0.003 0.000 0.232 407 D C -0.467 175.940 176.300 0.177 0.000 1.137 407 D CA 0.971 55.080 54.000 0.182 0.000 0.718 407 D CB -1.018 39.933 40.800 0.251 0.000 1.084 407 D HN 0.429 nan 8.370 nan 0.000 0.432 408 I N 0.830 121.416 120.570 0.026 0.000 2.352 408 I HA 0.020 4.192 4.170 0.003 0.000 0.290 408 I C 1.591 177.658 176.117 -0.084 0.000 1.036 408 I CA -0.086 61.115 61.300 -0.165 0.000 1.336 408 I CB 1.402 39.278 38.000 -0.207 0.000 1.407 408 I HN -0.163 nan 8.210 nan 0.000 0.497 409 S N 3.300 118.948 115.700 -0.087 0.000 2.398 409 S HA 0.090 4.562 4.470 0.003 0.000 0.220 409 S C 0.508 175.107 174.600 -0.002 0.000 1.046 409 S CA 0.401 58.585 58.200 -0.026 0.000 0.953 409 S CB 0.244 63.438 63.200 -0.011 0.000 0.856 409 S HN 0.833 nan 8.310 nan 0.000 0.506 410 S N 0.239 115.953 115.700 0.022 0.000 2.611 410 S HA 0.708 5.180 4.470 0.003 0.000 0.268 410 S C -1.079 173.610 174.600 0.149 0.000 1.156 410 S CA -0.464 57.779 58.200 0.072 0.000 0.817 410 S CB 1.676 64.920 63.200 0.073 0.000 1.122 410 S HN 0.523 nan 8.310 nan 0.000 0.466 411 S N 0.297 116.088 115.700 0.152 0.000 2.596 411 S HA 0.880 5.352 4.470 0.003 0.000 0.270 411 S C -1.576 173.112 174.600 0.147 0.000 1.155 411 S CA -0.846 57.496 58.200 0.237 0.000 0.827 411 S CB 1.492 64.823 63.200 0.219 0.000 1.130 411 S HN 1.620 nan 8.310 nan 0.000 0.467 412 F N 1.316 121.274 119.950 0.014 0.000 2.622 412 F HA 0.649 5.177 4.527 0.002 0.000 0.318 412 F C -0.828 174.996 175.800 0.039 0.000 1.135 412 F CA 0.112 57.996 58.000 -0.194 0.000 1.015 412 F CB 1.941 40.773 39.000 -0.280 0.000 1.275 412 F HN 1.091 nan 8.300 nan 0.000 0.457 413 S N 3.277 118.673 115.700 -0.506 0.000 2.599 413 S HA 0.988 5.459 4.470 0.003 0.000 0.294 413 S C -0.739 173.657 174.600 -0.340 0.000 1.094 413 S CA -0.458 57.636 58.200 -0.177 0.000 0.931 413 S CB 1.929 65.174 63.200 0.075 0.000 1.093 413 S HN 1.182 nan 8.310 nan 0.000 0.488 414 G N -0.127 108.590 108.800 -0.138 0.000 2.591 414 G HA2 0.604 4.565 3.960 0.003 0.000 0.306 414 G HA3 0.604 4.565 3.960 0.003 0.000 0.306 414 G C -1.379 173.436 174.900 -0.141 0.000 1.334 414 G CA -0.687 44.302 45.100 -0.185 0.000 0.981 414 G HN 0.825 nan 8.290 nan 0.000 0.491 415 S N 0.710 116.309 115.700 -0.169 0.000 2.659 415 S HA 0.342 4.813 4.470 0.003 0.000 0.312 415 S C 0.132 174.663 174.600 -0.115 0.000 1.114 415 S CA -0.727 57.440 58.200 -0.055 0.000 1.063 415 S CB 0.594 63.821 63.200 0.044 0.000 0.996 415 S HN 0.592 nan 8.310 nan 0.000 0.478 416 W N 3.422 124.764 121.300 0.070 0.000 2.436 416 W HA 0.137 4.799 4.660 0.004 0.000 0.284 416 W C 2.377 178.889 176.519 -0.013 0.000 1.225 416 W CA 0.097 57.464 57.345 0.037 0.000 1.271 416 W CB 0.048 29.505 29.460 -0.004 0.000 1.114 416 W HN 0.562 nan 8.180 nan 0.000 0.559 417 R N 0.333 120.915 120.500 0.136 0.000 2.189 417 R HA -0.045 4.296 4.340 0.003 0.000 0.223 417 R C 1.359 177.675 176.300 0.027 0.000 1.092 417 R CA 0.785 56.913 56.100 0.047 0.000 0.989 417 R CB -0.100 30.198 30.300 -0.004 0.000 0.876 417 R HN 0.041 nan 8.270 nan 0.000 0.457 418 R N 0.073 120.580 120.500 0.011 0.000 2.466 418 R HA 0.143 4.484 4.340 0.003 0.000 0.279 418 R C -0.186 176.080 176.300 -0.055 0.000 0.976 418 R CA 0.183 56.269 56.100 -0.022 0.000 1.081 418 R CB 0.789 31.076 30.300 -0.021 0.000 1.215 418 R HN -0.062 nan 8.270 nan 0.000 0.546 419 T N 1.366 115.894 114.554 -0.044 0.000 2.770 419 T HA 0.200 4.551 4.350 0.003 0.000 0.283 419 T C 0.063 174.714 174.700 -0.081 0.000 0.988 419 T CA -0.471 61.570 62.100 -0.098 0.000 0.957 419 T CB 2.235 71.004 68.868 -0.166 0.000 0.930 419 T HN -0.037 nan 8.240 nan 0.000 0.443 420 K N 2.500 122.790 120.400 -0.184 0.000 2.489 420 K HA 0.011 4.333 4.320 0.003 0.000 0.278 420 K C -0.273 176.157 176.600 -0.283 0.000 1.000 420 K CA 0.212 56.282 56.287 -0.362 0.000 1.012 420 K CB 0.050 32.220 32.500 -0.550 0.000 0.903 420 K HN 0.685 nan 8.250 nan 0.000 0.485 421 Y N 0.419 120.715 120.300 -0.006 0.000 4.841 421 Y HA -0.328 4.223 4.550 0.002 0.000 0.242 421 Y C 0.812 176.727 175.900 0.025 0.000 1.002 421 Y CA 0.997 59.091 58.100 -0.010 0.000 2.011 421 Y CB -2.216 36.228 38.460 -0.027 0.000 1.554 421 Y HN 0.625 nan 8.280 nan 0.000 0.618 422 S N -1.791 114.012 115.700 0.172 0.000 3.429 422 S HA 0.114 4.585 4.470 0.003 0.000 0.237 422 S C 0.771 175.529 174.600 0.263 0.000 1.037 422 S CA 0.101 58.438 58.200 0.229 0.000 0.806 422 S CB 0.574 64.027 63.200 0.420 0.000 0.882 422 S HN 0.404 nan 8.310 nan 0.000 0.556 423 E N 1.074 121.403 120.200 0.214 0.000 2.539 423 E HA -0.167 4.185 4.350 0.003 0.000 0.253 423 E C -0.513 176.157 176.600 0.117 0.000 1.145 423 E CA 0.692 57.199 56.400 0.178 0.000 0.738 423 E CB -1.179 28.636 29.700 0.191 0.000 1.308 423 E HN 0.260 nan 8.360 nan 0.000 0.409 424 S N -2.895 112.874 115.700 0.115 0.000 2.715 424 S HA 0.495 4.966 4.470 0.003 0.000 0.290 424 S C 0.112 174.686 174.600 -0.044 0.000 1.008 424 S CA -0.040 58.120 58.200 -0.067 0.000 0.850 424 S CB 1.234 64.303 63.200 -0.218 0.000 1.059 424 S HN 0.297 nan 8.310 nan 0.000 0.455 425 A N 2.100 124.744 122.820 -0.294 0.000 1.935 425 A HA 0.537 4.858 4.320 0.003 0.000 0.214 425 A C 0.273 177.671 177.584 -0.309 0.000 1.178 425 A CA 1.446 53.158 52.037 -0.542 0.000 0.640 425 A CB -0.408 17.919 19.000 -1.123 0.000 0.825 425 A HN 1.605 nan 8.150 nan 0.000 0.447 426 W N -4.690 116.572 121.300 -0.064 0.000 3.079 426 W HA 0.618 5.280 4.660 0.003 0.000 0.329 426 W C -0.673 175.805 176.519 -0.068 0.000 1.181 426 W CA -1.083 56.230 57.345 -0.054 0.000 1.160 426 W CB 0.203 29.636 29.460 -0.045 0.000 1.423 426 W HN 0.220 nan 8.180 nan 0.000 0.566 427 A N 1.700 124.658 122.820 0.230 0.000 2.310 427 A HA 0.724 5.045 4.320 0.003 0.000 0.299 427 A C -0.931 176.696 177.584 0.073 0.000 1.147 427 A CA -0.761 51.270 52.037 -0.009 0.000 0.818 427 A CB 0.371 19.244 19.000 -0.211 0.000 1.096 427 A HN 0.630 nan 8.150 nan 0.000 0.495 428 N N 0.912 119.588 118.700 -0.039 0.000 2.479 428 N HA 0.341 5.082 4.740 0.003 0.000 0.261 428 N C -1.566 173.916 175.510 -0.047 0.000 0.979 428 N CA -0.202 52.873 53.050 0.042 0.000 0.930 428 N CB 0.867 39.414 38.487 0.100 0.000 1.172 428 N HN 0.733 nan 8.380 nan 0.000 0.499 429 W N 2.297 123.664 121.300 0.111 0.000 2.308 429 W HA 0.341 5.002 4.660 0.003 0.000 0.324 429 W C 0.663 177.219 176.519 0.062 0.000 1.387 429 W CA -0.591 56.809 57.345 0.093 0.000 1.250 429 W CB 0.371 29.887 29.460 0.093 0.000 1.257 429 W HN 0.385 nan 8.180 nan 0.000 0.554 430 A N 3.337 126.304 122.820 0.245 0.000 2.488 430 A HA 0.477 4.799 4.320 0.003 0.000 0.249 430 A C 1.263 178.947 177.584 0.167 0.000 1.083 430 A CA 0.618 52.752 52.037 0.161 0.000 0.768 430 A CB -0.314 18.755 19.000 0.114 0.000 1.017 430 A HN 1.599 nan 8.150 nan 0.000 0.496 431 G N 1.663 110.533 108.800 0.117 0.000 2.141 431 G HA2 -0.164 3.797 3.960 0.003 0.000 0.242 431 G HA3 -0.164 3.797 3.960 0.003 0.000 0.242 431 G C 0.575 175.523 174.900 0.079 0.000 0.982 431 G CA 0.878 46.031 45.100 0.088 0.000 0.662 431 G HN 2.054 nan 8.290 nan 0.000 0.527 441 T N -0.158 114.247 114.554 -0.249 0.000 2.849 441 T HA 0.576 4.928 4.350 0.003 0.000 0.284 441 T C -1.773 172.891 174.700 -0.061 0.000 1.004 441 T CA -1.120 60.918 62.100 -0.103 0.000 1.021 441 T CB 0.814 69.661 68.868 -0.034 0.000 1.013 441 T HN 0.234 nan 8.240 nan 0.000 0.527 442 P HA -0.024 nan 4.420 nan 0.000 0.217 442 P C 1.181 178.490 177.300 0.016 0.000 1.150 442 P CA 0.956 64.062 63.100 0.010 0.000 0.832 442 P CB 0.066 31.781 31.700 0.025 0.000 0.787 443 E N -1.582 118.643 120.200 0.043 0.000 2.072 443 E HA -0.191 4.161 4.350 0.003 0.000 0.191 443 E C 2.001 178.578 176.600 -0.038 0.000 0.985 443 E CA 0.955 57.411 56.400 0.093 0.000 0.801 443 E CB -1.172 28.692 29.700 0.273 0.000 0.750 443 E HN 0.340 nan 8.360 nan 0.000 0.452 444 Y N 1.767 121.733 120.300 -0.557 0.000 2.128 444 Y HA -0.262 4.289 4.550 0.003 0.000 0.284 444 Y C 1.926 177.602 175.900 -0.373 0.000 1.154 444 Y CA 1.904 59.464 58.100 -0.900 0.000 1.149 444 Y CB 0.089 37.813 38.460 -1.226 0.000 0.976 444 Y HN 0.022 nan 8.280 nan 0.000 0.505 445 E N -0.033 120.177 120.200 0.017 0.000 2.085 445 E HA -0.278 4.073 4.350 0.003 0.000 0.194 445 E C 2.083 178.654 176.600 -0.049 0.000 0.994 445 E CA 1.454 57.854 56.400 0.001 0.000 0.801 445 E CB -0.202 29.516 29.700 0.029 0.000 0.743 445 E HN 0.206 nan 8.360 nan 0.000 0.453 446 K N 1.306 121.690 120.400 -0.028 0.000 2.103 446 K HA -0.122 4.200 4.320 0.003 0.000 0.207 446 K C 1.696 178.295 176.600 -0.000 0.000 1.048 446 K CA 1.141 57.425 56.287 -0.005 0.000 0.930 446 K CB -0.182 32.332 32.500 0.022 0.000 0.716 446 K HN 0.085 nan 8.250 nan 0.000 0.444 447 L N 0.570 121.776 121.223 -0.028 0.000 2.599 447 L HA 0.096 4.438 4.340 0.003 0.000 0.230 447 L C 1.442 178.327 176.870 0.024 0.000 1.141 447 L CA -0.001 54.852 54.840 0.021 0.000 0.877 447 L CB -0.069 41.977 42.059 -0.023 0.000 1.009 447 L HN 0.121 nan 8.230 nan 0.000 0.447 448 L N -1.166 120.008 121.223 -0.082 0.000 2.395 448 L HA 0.024 4.366 4.340 0.003 0.000 0.218 448 L C 0.851 177.699 176.870 -0.036 0.000 1.130 448 L CA 0.308 55.107 54.840 -0.069 0.000 0.826 448 L CB -0.192 41.799 42.059 -0.114 0.000 0.941 448 L HN 0.184 nan 8.230 nan 0.000 0.451 449 E N 1.606 121.781 120.200 -0.042 0.000 2.331 449 E HA 0.225 4.577 4.350 0.003 0.000 0.272 449 E C -2.099 174.402 176.600 -0.165 0.000 1.036 449 E CA -2.127 54.214 56.400 -0.099 0.000 0.864 449 E CB 0.377 30.037 29.700 -0.066 0.000 1.035 449 E HN -0.027 nan 8.360 nan 0.000 0.408 450 P HA 0.067 nan 4.420 nan 0.000 0.271 450 P C -0.306 176.794 177.300 -0.335 0.000 1.218 450 P CA -0.273 62.444 63.100 -0.637 0.000 0.780 450 P CB 0.618 31.696 31.700 -1.036 0.000 0.901 451 V N 3.510 123.237 119.914 -0.313 0.000 2.247 451 V HA 0.108 4.229 4.120 0.003 0.000 0.262 451 V C 0.687 176.681 176.094 -0.166 0.000 1.096 451 V CA 0.082 62.285 62.300 -0.163 0.000 0.895 451 V CB -0.511 31.257 31.823 -0.091 0.000 1.141 451 V HN 0.680 nan 8.190 nan 0.000 0.478 452 D N 2.763 123.080 120.400 -0.139 0.000 4.372 452 D HA -0.246 4.396 4.640 0.003 0.000 0.169 452 D C 1.244 177.478 176.300 -0.111 0.000 0.680 452 D CA 1.790 55.728 54.000 -0.105 0.000 1.152 452 D CB -0.296 40.459 40.800 -0.076 0.000 0.585 452 D HN 0.478 nan 8.370 nan 0.000 0.493 453 K N 0.744 121.090 120.400 -0.091 0.000 2.372 453 K HA 0.335 4.657 4.320 0.003 0.000 0.200 453 K C 0.344 176.992 176.600 0.079 0.000 1.022 453 K CA 0.005 56.281 56.287 -0.017 0.000 1.125 453 K CB 0.702 33.090 32.500 -0.185 0.000 0.855 453 K HN 0.421 nan 8.250 nan 0.000 0.524 454 I N 1.262 121.771 120.570 -0.102 0.000 2.336 454 I HA 0.207 4.379 4.170 0.003 0.000 0.292 454 I C -0.617 175.282 176.117 -0.364 0.000 0.991 454 I CA -0.848 60.348 61.300 -0.174 0.000 1.227 454 I CB 0.690 38.515 38.000 -0.293 0.000 1.366 454 I HN -0.077 nan 8.210 nan 0.000 0.466 455 Y N 5.374 125.512 120.300 -0.269 0.000 2.377 455 Y HA 0.480 5.031 4.550 0.002 0.000 0.339 455 Y C -0.332 175.368 175.900 -0.333 0.000 1.011 455 Y CA -0.741 57.214 58.100 -0.241 0.000 1.093 455 Y CB 1.585 39.995 38.460 -0.084 0.000 1.201 455 Y HN 0.306 nan 8.280 nan 0.000 0.455 456 F N 2.002 122.030 119.950 0.130 0.000 2.385 456 F HA 0.718 5.247 4.527 0.002 0.000 0.336 456 F C 0.305 176.142 175.800 0.062 0.000 1.100 456 F CA -0.600 57.458 58.000 0.095 0.000 1.116 456 F CB 1.232 40.285 39.000 0.089 0.000 1.166 456 F HN 0.481 nan 8.300 nan 0.000 0.511 457 A N 1.358 124.316 122.820 0.231 0.000 2.556 457 A HA 0.963 5.285 4.320 0.003 0.000 0.294 457 A C -0.407 177.223 177.584 0.076 0.000 1.091 457 A CA -0.149 51.937 52.037 0.082 0.000 0.704 457 A CB 1.755 20.776 19.000 0.035 0.000 1.300 457 A HN 1.378 nan 8.150 nan 0.000 0.406 458 G N 0.064 108.850 108.800 -0.022 0.000 2.352 458 G HA2 0.434 4.396 3.960 0.003 0.000 0.302 458 G HA3 0.434 4.396 3.960 0.003 0.000 0.302 458 G C -0.192 174.722 174.900 0.022 0.000 1.370 458 G CA 0.445 45.585 45.100 0.067 0.000 0.918 458 G HN 1.159 nan 8.290 nan 0.000 0.610 459 D N -0.716 119.783 120.400 0.165 0.000 2.264 459 D HA -0.152 4.490 4.640 0.003 0.000 0.208 459 D C 1.665 178.127 176.300 0.270 0.000 0.966 459 D CA 1.908 56.015 54.000 0.179 0.000 0.864 459 D CB -0.575 40.334 40.800 0.181 0.000 0.933 459 D HN 0.704 nan 8.370 nan 0.000 0.499 460 H N 0.537 119.764 119.070 0.260 0.000 2.491 460 H HA 0.027 4.585 4.556 0.003 0.000 0.290 460 H C 1.258 176.960 175.328 0.624 0.000 1.050 460 H CA 0.324 56.639 56.048 0.445 0.000 1.309 460 H CB -0.567 29.379 29.762 0.307 0.000 1.392 460 H HN 0.205 nan 8.280 nan 0.000 0.554 461 L N 2.484 123.626 121.223 -0.135 0.000 3.036 461 L HA 0.219 4.561 4.340 0.003 0.000 0.237 461 L C 0.148 176.985 176.870 -0.056 0.000 1.319 461 L CA -0.361 54.315 54.840 -0.274 0.000 1.112 461 L CB 0.091 41.886 42.059 -0.439 0.000 1.480 461 L HN 0.270 nan 8.230 nan 0.000 0.506 462 S N -2.760 113.098 115.700 0.264 0.000 2.685 462 S HA 0.410 4.881 4.470 0.003 0.000 0.282 462 S C 0.114 174.908 174.600 0.323 0.000 1.159 462 S CA -0.908 57.446 58.200 0.256 0.000 0.833 462 S CB 1.527 64.817 63.200 0.151 0.000 1.151 462 S HN 0.133 nan 8.310 nan 0.000 0.485 463 N N 0.561 119.392 118.700 0.218 0.000 2.276 463 N HA 0.325 5.066 4.740 0.003 0.000 0.212 463 N C -0.069 175.559 175.510 0.197 0.000 1.127 463 N CA 0.414 53.559 53.050 0.158 0.000 0.834 463 N CB 0.968 39.515 38.487 0.100 0.000 1.014 463 N HN 0.750 nan 8.380 nan 0.000 0.491 464 A N 0.752 123.723 122.820 0.252 0.000 3.129 464 A HA 0.354 4.675 4.320 0.003 0.000 0.282 464 A C 0.308 178.117 177.584 0.375 0.000 0.948 464 A CA -0.504 51.744 52.037 0.351 0.000 1.027 464 A CB -0.150 19.044 19.000 0.324 0.000 1.123 464 A HN 0.098 nan 8.150 nan 0.000 0.485 465 I N 0.662 121.400 120.570 0.280 0.000 2.775 465 I HA 0.132 4.304 4.170 0.003 0.000 0.290 465 I C 1.456 177.564 176.117 -0.015 0.000 1.203 465 I CA 1.178 62.595 61.300 0.196 0.000 1.433 465 I CB 0.699 38.836 38.000 0.228 0.000 1.354 465 I HN 0.854 nan 8.210 nan 0.000 0.579 466 A N 4.241 127.014 122.820 -0.078 0.000 2.945 466 A HA -0.190 4.131 4.320 0.003 0.000 0.251 466 A C -0.588 176.660 177.584 -0.561 0.000 1.355 466 A CA 0.813 52.623 52.037 -0.377 0.000 0.905 466 A CB -2.126 16.253 19.000 -1.034 0.000 1.104 466 A HN 0.788 nan 8.150 nan 0.000 0.733 467 W N -1.251 120.074 121.300 0.042 0.000 2.883 467 W HA 0.594 5.256 4.660 0.003 0.000 0.335 467 W C 1.070 177.642 176.519 0.088 0.000 1.083 467 W CA -0.468 56.932 57.345 0.091 0.000 1.233 467 W CB 0.973 30.507 29.460 0.123 0.000 1.412 467 W HN 0.253 nan 8.180 nan 0.000 0.490 468 Q N 0.309 120.342 119.800 0.388 0.000 2.181 468 Q HA -0.306 4.036 4.340 0.003 0.000 0.205 468 Q C 1.759 177.898 176.000 0.230 0.000 0.980 468 Q CA 2.089 58.056 55.803 0.274 0.000 0.862 468 Q CB -0.174 28.763 28.738 0.331 0.000 0.905 468 Q HN 0.610 nan 8.270 nan 0.000 0.429 469 H N -0.014 119.114 119.070 0.097 0.000 2.353 469 H HA -0.130 4.427 4.556 0.003 0.000 0.298 469 H C 1.995 177.311 175.328 -0.021 0.000 1.103 469 H CA 1.994 57.987 56.048 -0.092 0.000 1.293 469 H CB -0.444 28.896 29.762 -0.702 0.000 1.372 469 H HN 0.282 nan 8.280 nan 0.000 0.501 470 G N -0.081 108.771 108.800 0.087 0.000 2.446 470 G HA2 -0.316 3.646 3.960 0.003 0.000 0.217 470 G HA3 -0.316 3.646 3.960 0.003 0.000 0.217 470 G C 1.929 176.836 174.900 0.012 0.000 1.168 470 G CA 1.156 46.296 45.100 0.067 0.000 0.771 470 G HN 0.635 nan 8.290 nan 0.000 0.551 471 A N 0.403 123.248 122.820 0.043 0.000 1.902 471 A HA 0.103 4.424 4.320 0.003 0.000 0.217 471 A C 2.470 180.027 177.584 -0.044 0.000 1.181 471 A CA 1.401 53.443 52.037 0.007 0.000 0.623 471 A CB -0.373 18.633 19.000 0.011 0.000 0.818 471 A HN 0.367 nan 8.150 nan 0.000 0.443 472 L N -0.231 120.965 121.223 -0.044 0.000 2.072 472 L HA -0.128 4.214 4.340 0.003 0.000 0.205 472 L C 2.981 179.811 176.870 -0.067 0.000 1.079 472 L CA 1.726 56.530 54.840 -0.059 0.000 0.752 472 L CB -1.012 41.060 42.059 0.021 0.000 0.906 472 L HN 0.619 nan 8.230 nan 0.000 0.436 473 T N -4.113 110.343 114.554 -0.162 0.000 2.867 473 T HA -0.176 4.175 4.350 0.003 0.000 0.268 473 T C 2.075 176.714 174.700 -0.101 0.000 1.057 473 T CA 1.351 63.350 62.100 -0.168 0.000 1.136 473 T CB -0.304 68.379 68.868 -0.309 0.000 0.874 473 T HN 0.210 nan 8.240 nan 0.000 0.466 474 S N 1.497 117.147 115.700 -0.083 0.000 2.356 474 S HA 0.024 4.495 4.470 0.003 0.000 0.223 474 S C 2.509 177.070 174.600 -0.065 0.000 1.032 474 S CA 1.280 59.444 58.200 -0.061 0.000 1.005 474 S CB -1.002 62.167 63.200 -0.052 0.000 0.867 474 S HN 0.736 nan 8.310 nan 0.000 0.449 475 A N 1.710 124.485 122.820 -0.074 0.000 1.883 475 A HA -0.132 4.189 4.320 0.003 0.000 0.217 475 A C 2.247 179.772 177.584 -0.098 0.000 1.186 475 A CA 1.713 53.695 52.037 -0.092 0.000 0.624 475 A CB -0.683 18.246 19.000 -0.119 0.000 0.822 475 A HN 0.638 nan 8.150 nan 0.000 0.444 476 R N -0.586 119.872 120.500 -0.070 0.000 2.092 476 R HA -0.097 4.245 4.340 0.003 0.000 0.231 476 R C 1.622 177.837 176.300 -0.141 0.000 1.119 476 R CA 1.383 57.444 56.100 -0.066 0.000 0.970 476 R CB -0.356 29.942 30.300 -0.003 0.000 0.864 476 R HN 0.470 nan 8.270 nan 0.000 0.440 477 D N -0.019 120.286 120.400 -0.159 0.000 2.117 477 D HA -0.108 4.533 4.640 0.003 0.000 0.198 477 D C 1.888 177.954 176.300 -0.391 0.000 0.982 477 D CA 0.974 54.804 54.000 -0.283 0.000 0.828 477 D CB -0.099 40.585 40.800 -0.192 0.000 0.967 477 D HN -0.010 nan 8.370 nan 0.000 0.464 478 V N 0.366 120.178 119.914 -0.170 0.000 2.453 478 V HA -0.147 3.974 4.120 0.003 0.000 0.247 478 V C 2.524 178.449 176.094 -0.283 0.000 1.048 478 V CA 0.804 63.047 62.300 -0.095 0.000 1.049 478 V CB -0.184 31.620 31.823 -0.031 0.000 0.672 478 V HN 0.059 nan 8.190 nan 0.000 0.457 479 V N -0.049 119.703 119.914 -0.271 0.000 2.427 479 V HA -0.240 3.881 4.120 0.003 0.000 0.248 479 V C 2.548 178.472 176.094 -0.283 0.000 1.051 479 V CA 2.516 64.624 62.300 -0.321 0.000 1.048 479 V CB -0.865 30.801 31.823 -0.260 0.000 0.666 479 V HN 0.608 nan 8.190 nan 0.000 0.456 480 T N -1.219 113.189 114.554 -0.244 0.000 2.821 480 T HA -0.188 4.164 4.350 0.003 0.000 0.267 480 T C 1.674 176.306 174.700 -0.114 0.000 1.046 480 T CA 1.797 63.790 62.100 -0.177 0.000 1.139 480 T CB -0.327 68.415 68.868 -0.210 0.000 0.871 480 T HN 0.656 nan 8.240 nan 0.000 0.454 481 H N 0.427 119.413 119.070 -0.139 0.000 2.321 481 H HA 0.060 4.618 4.556 0.003 0.000 0.300 481 H C 2.255 177.444 175.328 -0.231 0.000 1.087 481 H CA 1.178 57.156 56.048 -0.117 0.000 1.319 481 H CB -0.167 29.572 29.762 -0.037 0.000 1.379 481 H HN 0.226 nan 8.280 nan 0.000 0.501 482 I N -0.060 120.288 120.570 -0.370 0.000 2.208 482 I HA -0.309 3.863 4.170 0.003 0.000 0.245 482 I C 2.451 178.361 176.117 -0.346 0.000 1.097 482 I CA 1.489 62.417 61.300 -0.620 0.000 1.363 482 I CB -0.202 37.246 38.000 -0.921 0.000 1.051 482 I HN 0.334 nan 8.210 nan 0.000 0.413 483 H N 1.058 119.951 119.070 -0.294 0.000 2.357 483 H HA -0.142 4.415 4.556 0.003 0.000 0.301 483 H C 2.073 177.360 175.328 -0.070 0.000 1.082 483 H CA 1.780 57.758 56.048 -0.115 0.000 1.342 483 H CB 0.088 29.803 29.762 -0.079 0.000 1.389 483 H HN 0.298 nan 8.280 nan 0.000 0.511 484 E N -0.263 119.926 120.200 -0.019 0.000 2.204 484 E HA -0.153 4.198 4.350 0.003 0.000 0.194 484 E C 2.269 178.839 176.600 -0.049 0.000 0.989 484 E CA 0.584 56.961 56.400 -0.039 0.000 0.824 484 E CB 0.071 29.793 29.700 0.035 0.000 0.756 484 E HN 0.385 nan 8.360 nan 0.000 0.477 485 R N 0.532 121.011 120.500 -0.036 0.000 2.075 485 R HA -0.072 4.269 4.340 0.003 0.000 0.226 485 R C 2.191 178.494 176.300 0.004 0.000 1.114 485 R CA 0.716 56.826 56.100 0.017 0.000 0.972 485 R CB 0.045 30.395 30.300 0.083 0.000 0.869 485 R HN -0.003 nan 8.270 nan 0.000 0.437 486 V N 1.170 121.039 119.914 -0.075 0.000 2.343 486 V HA -0.209 3.913 4.120 0.003 0.000 0.247 486 V C 2.435 178.423 176.094 -0.176 0.000 1.051 486 V CA 1.894 64.121 62.300 -0.122 0.000 1.036 486 V CB -0.640 31.027 31.823 -0.259 0.000 0.654 486 V HN 0.524 nan 8.190 nan 0.000 0.451 487 A N -2.293 120.388 122.820 -0.232 0.000 1.933 487 A HA -0.236 4.086 4.320 0.003 0.000 0.218 487 A C 1.821 179.351 177.584 -0.090 0.000 1.175 487 A CA 2.362 54.282 52.037 -0.195 0.000 0.628 487 A CB -0.194 18.669 19.000 -0.229 0.000 0.814 487 A HN 0.614 nan 8.150 nan 0.000 0.444 488 Q N -4.523 115.243 119.800 -0.057 0.000 7.537 488 Q HA -0.048 4.294 4.340 0.003 0.000 0.353 488 Q C 0.288 176.282 176.000 -0.009 0.000 1.313 488 Q CA 3.145 58.939 55.803 -0.014 0.000 0.514 488 Q CB -1.233 27.501 28.738 -0.006 0.000 0.166 488 Q HN 1.614 nan 8.270 nan 0.000 0.857 489 E N 0.000 120.192 120.200 -0.013 0.000 2.725 489 E HA 0.000 4.352 4.350 0.003 0.000 0.291 489 E CA 0.000 nan 56.400 nan 0.000 0.976 489 E CB 0.000 nan 29.700 nan 0.000 0.812 489 E HN 0.000 nan 8.360 nan 0.000 0.440