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 3alw_1_A DATA FIRST_RESID 32 DATA SEQUENCE cPKIVQQLGS DVLLPLTHER INTSMNKSIH IVVTMAKSLE NSVENKIVSL DATA SEQUENCE DPSEAGPPRY LKDRYRFYLE HLSLAIYEST KKDEGWYFMT LEKNISVQRF DATA SEQUENCE cLHLKLXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXcSGP TTIRGQFSNM SLSLLDLYLG RGYNVSSIVT MTSQGMYGGT DATA SEQUENCE YLVEKPXXXX XXXXXXXXSM YRVFEVGVIR NPGLGAPVFH MTNYLEQPVS DATA SEQUENCE XXXSNcMVAL GELKLAALcH GEDSITIPYQ GSGKGVSFQL VKLGVWKSPT DATA SEQUENCE DMQSWVPLST DDPVIDRLYL SSHRGVIADN QAKWAVPTTR TDDKLRMETc DATA SEQUENCE FQQAcKGKIQ ALcENPEWAP LKDNRIPSYG VLSVDLSLTV ELKIKIASGF DATA SEQUENCE GPLITHGSGM DLYKSNHNNV YWLTIPPMKN LALGVINTLE WIPRFKVSPY DATA SEQUENCE LFTVPIKEAG GDcHAPTYLP AEVDGDVKLS SNLVILPGQD LQYVLATYDT DATA SEQUENCE SRVEHAVVYY VYSPSRSFSY FYPFRLPIKG VPIELQVEcF TWDQKLWcRH DATA SEQUENCE FCVLADSESG GHITHSGMVG MGVSc 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 32 c HA 0.000 nan 4.570 nan 0.000 0.325 32 c C 0.000 174.083 174.090 -0.011 0.000 1.270 32 c CA 0.000 56.345 56.329 0.027 0.000 1.963 32 c CB 0.000 42.584 42.510 0.123 0.000 2.134 33 P HA 0.445 nan 4.420 nan 0.000 0.274 33 P C -1.506 175.790 177.300 -0.007 0.000 1.237 33 P CA -0.134 62.878 63.100 -0.147 0.000 0.793 33 P CB 0.422 31.915 31.700 -0.346 0.000 0.977 34 K N 2.681 123.088 120.400 0.012 0.000 2.656 34 K HA 0.381 4.702 4.320 0.001 0.000 0.241 34 K C -0.610 175.963 176.600 -0.046 0.000 0.967 34 K CA -0.552 55.732 56.287 -0.005 0.000 0.946 34 K CB 0.318 32.850 32.500 0.052 0.000 1.164 34 K HN 0.541 nan 8.250 nan 0.000 0.459 35 I N 1.428 121.935 120.570 -0.106 0.000 2.676 35 I HA 0.689 4.860 4.170 0.001 0.000 0.309 35 I C -0.566 175.451 176.117 -0.166 0.000 0.990 35 I CA -0.976 60.264 61.300 -0.100 0.000 1.168 35 I CB 1.803 39.754 38.000 -0.082 0.000 1.343 35 I HN 0.271 nan 8.210 nan 0.000 0.482 36 V N 1.837 121.678 119.914 -0.121 0.000 2.808 36 V HA 0.686 4.807 4.120 0.001 0.000 0.308 36 V C -0.787 175.251 176.094 -0.093 0.000 1.099 36 V CA -0.333 61.893 62.300 -0.123 0.000 0.920 36 V CB 1.366 33.129 31.823 -0.099 0.000 1.014 36 V HN 1.058 nan 8.190 nan 0.000 0.425 37 Q N 1.299 121.043 119.800 -0.092 0.000 2.893 37 Q HA 0.479 4.820 4.340 0.001 0.000 0.331 37 Q C -1.175 174.788 176.000 -0.061 0.000 0.893 37 Q CA -1.060 54.699 55.803 -0.072 0.000 0.783 37 Q CB 2.277 30.969 28.738 -0.077 0.000 1.440 37 Q HN 0.875 nan 8.270 nan 0.000 0.508 38 Q N 0.798 120.568 119.800 -0.051 0.000 2.421 38 Q HA 0.014 4.355 4.340 0.001 0.000 0.255 38 Q C 0.690 176.665 176.000 -0.041 0.000 1.013 38 Q CA -0.078 55.701 55.803 -0.041 0.000 0.895 38 Q CB 0.555 29.272 28.738 -0.035 0.000 1.271 38 Q HN 0.448 nan 8.270 nan 0.000 0.460 39 L N 2.207 123.410 121.223 -0.033 0.000 2.131 39 L HA -0.051 4.290 4.340 0.001 0.000 0.210 39 L C 1.468 178.323 176.870 -0.026 0.000 1.092 39 L CA 2.481 57.304 54.840 -0.028 0.000 0.759 39 L CB -0.542 41.505 42.059 -0.019 0.000 0.903 39 L HN 0.789 nan 8.230 nan 0.000 0.435 40 G N -1.547 107.238 108.800 -0.025 0.000 3.126 40 G HA2 0.067 4.027 3.960 0.001 0.000 0.224 40 G HA3 0.067 4.027 3.960 0.001 0.000 0.224 40 G C 0.466 175.350 174.900 -0.025 0.000 1.142 40 G CA 0.434 45.521 45.100 -0.022 0.000 0.759 40 G HN 0.528 nan 8.290 nan 0.000 0.550 41 S N 0.486 116.167 115.700 -0.031 0.000 2.558 41 S HA 0.079 4.549 4.470 0.001 0.000 0.288 41 S C -0.303 174.277 174.600 -0.034 0.000 1.318 41 S CA -0.268 57.912 58.200 -0.033 0.000 1.056 41 S CB 1.219 64.395 63.200 -0.041 0.000 0.853 41 S HN 0.055 nan 8.310 nan 0.000 0.505 42 D N 1.943 122.331 120.400 -0.021 0.000 2.885 42 D HA 0.195 4.836 4.640 0.001 0.000 0.234 42 D C 0.279 176.565 176.300 -0.024 0.000 1.129 42 D CA -0.090 53.906 54.000 -0.006 0.000 0.991 42 D CB -0.842 39.978 40.800 0.032 0.000 1.137 42 D HN 0.640 nan 8.370 nan 0.000 0.459 43 V N -0.457 119.422 119.914 -0.058 0.000 2.800 43 V HA -0.154 3.966 4.120 0.001 0.000 0.299 43 V C 0.166 176.214 176.094 -0.076 0.000 1.151 43 V CA -0.196 62.054 62.300 -0.083 0.000 1.297 43 V CB -0.282 31.467 31.823 -0.123 0.000 0.835 43 V HN 0.178 nan 8.190 nan 0.000 0.484 44 L N 7.066 128.254 121.223 -0.058 0.000 2.319 44 L HA 0.764 5.104 4.340 0.001 0.000 0.281 44 L C -0.565 176.276 176.870 -0.048 0.000 1.005 44 L CA -0.401 54.424 54.840 -0.025 0.000 0.828 44 L CB 1.377 43.435 42.059 -0.002 0.000 1.227 44 L HN 0.747 nan 8.230 nan 0.000 0.415 45 L N 6.098 127.290 121.223 -0.051 0.000 2.341 45 L HA 0.685 5.025 4.340 0.001 0.000 0.278 45 L C -2.306 174.573 176.870 0.015 0.000 1.005 45 L CA -1.700 53.106 54.840 -0.057 0.000 0.818 45 L CB 1.101 43.071 42.059 -0.148 0.000 1.259 45 L HN 0.427 nan 8.230 nan 0.000 0.418 46 P HA 0.123 nan 4.420 nan 0.000 0.256 46 P C -0.378 176.957 177.300 0.058 0.000 1.689 46 P CA -0.419 62.704 63.100 0.039 0.000 1.124 46 P CB 0.811 32.507 31.700 -0.007 0.000 1.766 47 L N 3.641 124.933 121.223 0.114 0.000 2.717 47 L HA 0.054 4.394 4.340 0.001 0.000 0.281 47 L C 1.540 178.388 176.870 -0.036 0.000 1.329 47 L CA 1.472 56.383 54.840 0.117 0.000 1.202 47 L CB -1.622 40.570 42.059 0.222 0.000 1.425 47 L HN 0.470 nan 8.230 nan 0.000 0.438 48 T N -2.089 112.397 114.554 -0.114 0.000 4.885 48 T HA -0.026 4.325 4.350 0.001 0.000 0.303 48 T C 0.873 175.528 174.700 -0.074 0.000 0.970 48 T CA 0.643 62.494 62.100 -0.416 0.000 0.529 48 T CB -0.578 68.070 68.868 -0.367 0.000 0.849 48 T HN 0.687 nan 8.240 nan 0.000 0.594 49 H N 1.572 120.600 119.070 -0.071 0.000 4.702 49 H HA -0.198 4.358 4.556 0.001 0.000 0.069 49 H C 0.631 175.944 175.328 -0.026 0.000 0.593 49 H CA 3.198 59.237 56.048 -0.015 0.000 1.050 49 H CB -1.026 28.759 29.762 0.037 0.000 0.788 49 H HN 0.451 nan 8.280 nan 0.000 0.820 50 E N -0.672 119.511 120.200 -0.028 0.000 2.713 50 E HA 0.222 4.573 4.350 0.001 0.000 0.199 50 E C 0.087 176.669 176.600 -0.030 0.000 0.940 50 E CA 0.108 56.456 56.400 -0.088 0.000 1.310 50 E CB 0.438 30.054 29.700 -0.140 0.000 1.129 50 E HN 0.407 nan 8.360 nan 0.000 0.557 51 R N 0.686 121.173 120.500 -0.023 0.000 2.541 51 R HA 0.183 4.523 4.340 0.001 0.000 0.245 51 R C 1.220 177.477 176.300 -0.071 0.000 1.154 51 R CA -0.014 56.072 56.100 -0.023 0.000 1.179 51 R CB -0.860 29.444 30.300 0.007 0.000 1.189 51 R HN 0.213 nan 8.270 nan 0.000 0.526 52 I N 1.581 122.110 120.570 -0.070 0.000 2.830 52 I HA -0.171 3.999 4.170 0.001 0.000 0.263 52 I C 1.293 177.378 176.117 -0.053 0.000 1.230 52 I CA 0.362 61.622 61.300 -0.067 0.000 1.480 52 I CB -0.202 37.770 38.000 -0.046 0.000 1.095 52 I HN 0.180 nan 8.210 nan 0.000 0.455 53 N N -0.367 118.310 118.700 -0.037 0.000 2.062 53 N HA -0.172 4.568 4.740 0.001 0.000 0.221 53 N C 1.427 176.922 175.510 -0.026 0.000 1.230 53 N CA 1.501 54.532 53.050 -0.030 0.000 0.958 53 N CB -1.216 37.260 38.487 -0.018 0.000 1.021 53 N HN 0.148 nan 8.380 nan 0.000 0.400 54 T N -0.933 113.614 114.554 -0.012 0.000 3.144 54 T HA 0.057 4.407 4.350 0.001 0.000 0.249 54 T C 1.212 175.917 174.700 0.008 0.000 1.089 54 T CA -0.021 62.076 62.100 -0.006 0.000 0.989 54 T CB -0.581 68.284 68.868 -0.004 0.000 0.992 54 T HN 0.425 nan 8.240 nan 0.000 0.540 55 S N 0.527 116.236 115.700 0.015 0.000 2.605 55 S HA 0.181 4.651 4.470 0.001 0.000 0.217 55 S C 1.681 176.311 174.600 0.049 0.000 0.958 55 S CA -0.070 58.155 58.200 0.042 0.000 0.919 55 S CB -0.288 62.950 63.200 0.064 0.000 0.780 55 S HN 0.754 nan 8.310 nan 0.000 0.507 56 M N -0.341 119.270 119.600 0.018 0.000 2.557 56 M HA 0.293 4.773 4.480 0.001 0.000 0.262 56 M C 0.923 177.238 176.300 0.026 0.000 1.168 56 M CA 0.320 55.631 55.300 0.018 0.000 1.194 56 M CB -0.572 32.019 32.600 -0.016 0.000 1.311 56 M HN 0.059 nan 8.290 nan 0.000 0.489 57 N N 1.690 120.396 118.700 0.010 0.000 1.241 57 N HA -0.245 4.495 4.740 0.001 0.000 0.135 57 N C -0.346 175.167 175.510 0.005 0.000 0.723 57 N CA 1.924 54.978 53.050 0.007 0.000 0.950 57 N CB -0.842 37.654 38.487 0.014 0.000 1.215 57 N HN 0.331 nan 8.380 nan 0.000 0.520 58 K N 0.371 120.776 120.400 0.009 0.000 2.571 58 K HA 0.434 4.754 4.320 0.001 0.000 0.252 58 K C -0.376 176.230 176.600 0.008 0.000 0.956 58 K CA 0.160 56.452 56.287 0.007 0.000 0.822 58 K CB 1.686 34.184 32.500 -0.003 0.000 1.286 58 K HN 0.616 nan 8.250 nan 0.000 0.439 59 S N 2.616 118.326 115.700 0.016 0.000 4.213 59 S HA 0.576 5.047 4.470 0.001 0.000 0.205 59 S C 0.694 175.297 174.600 0.004 0.000 1.008 59 S CA -0.399 57.807 58.200 0.010 0.000 1.742 59 S CB 0.194 63.411 63.200 0.028 0.000 0.754 59 S HN 0.490 nan 8.310 nan 0.000 0.715 60 I N 0.154 120.735 120.570 0.017 0.000 4.604 60 I HA 0.354 4.524 4.170 0.001 0.000 0.384 60 I C -0.412 175.765 176.117 0.101 0.000 1.155 60 I CA 0.022 61.338 61.300 0.025 0.000 1.313 60 I CB 0.797 38.792 38.000 -0.007 0.000 2.167 60 I HN 0.673 nan 8.210 nan 0.000 0.704 61 H N 1.250 120.295 119.070 -0.042 0.000 2.929 61 H HA 0.515 5.072 4.556 0.001 0.000 0.268 61 H C -2.139 173.169 175.328 -0.034 0.000 1.333 61 H CA -0.343 55.679 56.048 -0.044 0.000 1.422 61 H CB 1.621 31.340 29.762 -0.072 0.000 1.897 61 H HN -0.031 nan 8.280 nan 0.000 0.491 62 I N 2.704 123.305 120.570 0.052 0.000 2.913 62 I HA 0.549 4.719 4.170 0.001 0.000 0.302 62 I C -0.743 175.394 176.117 0.033 0.000 1.246 62 I CA -0.962 60.383 61.300 0.076 0.000 1.010 62 I CB 2.693 40.703 38.000 0.016 0.000 1.259 62 I HN 0.228 nan 8.210 nan 0.000 0.434 63 V N 4.001 123.950 119.914 0.058 0.000 3.012 63 V HA 0.499 4.620 4.120 0.001 0.000 0.307 63 V C -0.734 175.361 176.094 0.001 0.000 1.166 63 V CA -0.700 61.620 62.300 0.034 0.000 0.974 63 V CB 2.618 34.569 31.823 0.213 0.000 1.040 63 V HN 0.419 nan 8.190 nan 0.000 0.428 64 V N 2.519 122.379 119.914 -0.089 0.000 2.667 64 V HA 0.892 5.013 4.120 0.001 0.000 0.308 64 V C 0.017 176.103 176.094 -0.013 0.000 1.048 64 V CA -0.302 61.972 62.300 -0.043 0.000 0.928 64 V CB 2.222 33.961 31.823 -0.140 0.000 1.004 64 V HN 1.106 nan 8.190 nan 0.000 0.444 65 T N 1.532 116.131 114.554 0.074 0.000 2.923 65 T HA 0.640 4.990 4.350 0.001 0.000 0.311 65 T C -0.858 173.862 174.700 0.033 0.000 1.183 65 T CA -0.672 61.434 62.100 0.010 0.000 1.020 65 T CB 1.978 70.818 68.868 -0.047 0.000 1.165 65 T HN 0.527 nan 8.240 nan 0.000 0.482 66 M N 2.163 121.681 119.600 -0.136 0.000 2.436 66 M HA 0.793 5.273 4.480 0.001 0.000 0.331 66 M C -1.510 174.755 176.300 -0.059 0.000 1.135 66 M CA -0.682 54.434 55.300 -0.307 0.000 0.987 66 M CB 1.419 33.730 32.600 -0.483 0.000 1.687 66 M HN 1.137 nan 8.290 nan 0.000 0.445 67 A N 4.233 127.105 122.820 0.087 0.000 2.449 67 A HA 0.572 4.893 4.320 0.001 0.000 0.302 67 A C -0.322 177.420 177.584 0.263 0.000 1.048 67 A CA -0.631 51.507 52.037 0.168 0.000 0.708 67 A CB 1.367 20.542 19.000 0.291 0.000 1.274 67 A HN 0.929 nan 8.150 nan 0.000 0.410 68 K N 0.503 121.004 120.400 0.168 0.000 2.417 68 K HA 0.316 4.637 4.320 0.001 0.000 0.196 68 K C 0.281 177.043 176.600 0.270 0.000 1.023 68 K CA 0.708 57.138 56.287 0.240 0.000 1.122 68 K CB 0.298 32.877 32.500 0.130 0.000 0.850 68 K HN 0.598 nan 8.250 nan 0.000 0.521 69 S N -0.941 114.794 115.700 0.058 0.000 2.688 69 S HA 0.166 4.636 4.470 0.001 0.000 0.266 69 S C -0.610 173.629 174.600 -0.601 0.000 1.061 69 S CA -0.769 57.229 58.200 -0.337 0.000 0.844 69 S CB 0.200 63.327 63.200 -0.122 0.000 1.103 69 S HN -0.082 nan 8.310 nan 0.000 0.471 70 L N 1.449 122.260 121.223 -0.688 0.000 2.221 70 L HA 0.302 4.642 4.340 0.001 0.000 0.202 70 L C 0.741 177.469 176.870 -0.237 0.000 1.074 70 L CA 1.141 55.691 54.840 -0.484 0.000 0.795 70 L CB -1.379 40.419 42.059 -0.437 0.000 0.960 70 L HN 0.727 nan 8.230 nan 0.000 0.458 71 E N 1.871 121.965 120.200 -0.175 0.000 2.180 71 E HA 0.067 4.418 4.350 0.001 0.000 0.283 71 E C -0.463 176.095 176.600 -0.069 0.000 1.061 71 E CA -0.313 56.044 56.400 -0.072 0.000 0.861 71 E CB 0.102 29.782 29.700 -0.033 0.000 1.056 71 E HN 0.157 nan 8.360 nan 0.000 0.407 72 N N 1.112 119.781 118.700 -0.051 0.000 2.746 72 N HA -0.168 4.572 4.740 0.001 0.000 0.250 72 N C -0.756 174.620 175.510 -0.223 0.000 1.055 72 N CA 1.006 54.030 53.050 -0.045 0.000 0.699 72 N CB -1.867 36.713 38.487 0.154 0.000 0.919 72 N HN 0.676 nan 8.380 nan 0.000 0.548 73 S N -1.752 113.713 115.700 -0.393 0.000 2.503 73 S HA 0.286 4.756 4.470 0.001 0.000 0.317 73 S C 1.716 176.037 174.600 -0.464 0.000 1.162 73 S CA -0.524 57.457 58.200 -0.364 0.000 1.124 73 S CB 0.974 63.968 63.200 -0.344 0.000 1.207 73 S HN 0.162 nan 8.310 nan 0.000 0.538 74 V N 1.850 121.564 119.914 -0.333 0.000 2.428 74 V HA -0.222 3.899 4.120 0.001 0.000 0.255 74 V C 1.212 177.141 176.094 -0.276 0.000 1.080 74 V CA 1.837 63.938 62.300 -0.333 0.000 1.083 74 V CB -1.865 29.833 31.823 -0.208 0.000 0.665 74 V HN 1.114 nan 8.190 nan 0.000 0.461 75 E N 1.189 121.253 120.200 -0.228 0.000 3.210 75 E HA -0.214 4.137 4.350 0.001 0.000 0.292 75 E C -0.362 176.129 176.600 -0.180 0.000 1.931 75 E CA 0.195 56.475 56.400 -0.199 0.000 1.111 75 E CB -0.653 28.898 29.700 -0.247 0.000 0.794 75 E HN 0.720 nan 8.360 nan 0.000 0.342 76 N N 4.097 122.701 118.700 -0.159 0.000 2.443 76 N HA 0.179 4.919 4.740 0.001 0.000 0.295 76 N C -0.403 175.004 175.510 -0.173 0.000 1.076 76 N CA -0.586 52.366 53.050 -0.163 0.000 0.919 76 N CB 1.481 39.880 38.487 -0.146 0.000 1.176 76 N HN 0.342 nan 8.380 nan 0.000 0.487 77 K N 2.836 123.136 120.400 -0.166 0.000 2.310 77 K HA 0.158 4.479 4.320 0.001 0.000 0.290 77 K C 0.745 177.243 176.600 -0.171 0.000 1.077 77 K CA -0.364 55.830 56.287 -0.155 0.000 0.922 77 K CB 0.350 32.775 32.500 -0.125 0.000 1.057 77 K HN 0.416 nan 8.250 nan 0.000 0.479 78 I N 3.534 123.988 120.570 -0.192 0.000 2.339 78 I HA -0.020 4.151 4.170 0.001 0.000 0.245 78 I C 0.707 176.727 176.117 -0.161 0.000 1.096 78 I CA 0.793 61.939 61.300 -0.257 0.000 1.408 78 I CB 0.086 37.930 38.000 -0.261 0.000 1.092 78 I HN 0.445 nan 8.210 nan 0.000 0.423 79 V N -0.602 119.210 119.914 -0.171 0.000 2.924 79 V HA 0.355 4.476 4.120 0.001 0.000 0.300 79 V C -1.081 174.870 176.094 -0.237 0.000 1.227 79 V CA -0.449 61.709 62.300 -0.235 0.000 0.954 79 V CB 2.197 33.830 31.823 -0.317 0.000 1.055 79 V HN 0.110 nan 8.190 nan 0.000 0.429 80 S N 6.613 122.176 115.700 -0.228 0.000 2.475 80 S HA 0.548 5.018 4.470 0.001 0.000 0.249 80 S C -0.688 173.731 174.600 -0.302 0.000 1.298 80 S CA -0.416 57.678 58.200 -0.177 0.000 1.125 80 S CB 0.162 63.332 63.200 -0.051 0.000 1.054 80 S HN 0.842 nan 8.310 nan 0.000 0.484 81 L N 3.689 124.705 121.223 -0.344 0.000 2.325 81 L HA 0.620 4.961 4.340 0.001 0.000 0.279 81 L C -0.520 176.119 176.870 -0.384 0.000 1.054 81 L CA -0.311 54.358 54.840 -0.286 0.000 0.804 81 L CB 1.056 43.052 42.059 -0.106 0.000 1.200 81 L HN 0.407 nan 8.230 nan 0.000 0.436 82 D N 6.373 126.608 120.400 -0.275 0.000 2.446 82 D HA 0.259 4.900 4.640 0.001 0.000 0.251 82 D C -2.306 173.935 176.300 -0.098 0.000 1.137 82 D CA -1.609 52.245 54.000 -0.244 0.000 0.890 82 D CB 1.558 42.242 40.800 -0.193 0.000 1.071 82 D HN 0.366 nan 8.370 nan 0.000 0.528 83 P HA 0.071 nan 4.420 nan 0.000 0.238 83 P C -0.095 177.196 177.300 -0.015 0.000 1.679 83 P CA 0.165 63.258 63.100 -0.013 0.000 1.080 83 P CB 0.213 31.921 31.700 0.014 0.000 1.961 84 S N -0.645 115.043 115.700 -0.021 0.000 2.298 84 S HA 0.086 4.557 4.470 0.001 0.000 0.249 84 S C 0.153 174.744 174.600 -0.016 0.000 0.952 84 S CA -0.302 57.888 58.200 -0.017 0.000 1.557 84 S CB 0.862 64.052 63.200 -0.016 0.000 1.218 84 S HN 0.449 nan 8.310 nan 0.000 0.613 85 E N -0.636 119.552 120.200 -0.019 0.000 1.659 85 E HA 0.498 4.849 4.350 0.001 0.000 0.189 85 E C 0.224 176.814 176.600 -0.016 0.000 1.829 85 E CA 0.252 56.643 56.400 -0.015 0.000 1.111 85 E CB -0.057 29.634 29.700 -0.015 0.000 1.579 85 E HN 0.296 nan 8.360 nan 0.000 0.656 86 A N -0.726 122.087 122.820 -0.012 0.000 1.285 86 A HA -0.365 3.955 4.320 0.001 0.000 0.233 86 A C 1.688 179.274 177.584 0.003 0.000 0.551 86 A CA 4.105 56.137 52.037 -0.009 0.000 1.094 86 A CB -2.425 16.561 19.000 -0.025 0.000 1.471 86 A HN 1.987 nan 8.150 nan 0.000 0.723 87 G N -2.033 106.769 108.800 0.003 0.000 4.013 87 G HA2 -0.050 3.911 3.960 0.001 0.000 0.255 87 G HA3 -0.050 3.911 3.960 0.001 0.000 0.255 87 G C -1.766 173.156 174.900 0.036 0.000 1.765 87 G CA 0.710 45.824 45.100 0.023 0.000 1.396 87 G HN 1.629 nan 8.290 nan 0.000 0.605 88 P HA 0.377 nan 4.420 nan 0.000 0.276 88 P C -2.485 174.817 177.300 0.003 0.000 1.264 88 P CA -0.744 62.420 63.100 0.106 0.000 0.769 88 P CB 1.025 32.811 31.700 0.143 0.000 0.840 89 P HA 0.154 nan 4.420 nan 0.000 0.272 89 P C -0.015 177.014 177.300 -0.451 0.000 1.223 89 P CA -0.308 62.579 63.100 -0.354 0.000 0.784 89 P CB 0.941 32.359 31.700 -0.470 0.000 0.923 90 R N 1.943 122.270 120.500 -0.288 0.000 2.586 90 R HA 0.024 4.364 4.340 0.001 0.000 0.346 90 R C -0.457 175.706 176.300 -0.228 0.000 1.044 90 R CA 0.372 56.368 56.100 -0.174 0.000 1.004 90 R CB -0.802 29.433 30.300 -0.109 0.000 0.968 90 R HN 0.480 nan 8.270 nan 0.000 0.438 91 Y N 3.314 123.602 120.300 -0.020 0.000 2.650 91 Y HA 0.083 4.634 4.550 0.001 0.000 0.343 91 Y C 1.091 176.969 175.900 -0.036 0.000 1.078 91 Y CA -0.312 57.772 58.100 -0.028 0.000 1.356 91 Y CB 0.513 38.974 38.460 0.000 0.000 1.204 91 Y HN 0.427 nan 8.280 nan 0.000 0.508 92 L N 3.555 124.810 121.223 0.053 0.000 2.682 92 L HA 0.061 4.402 4.340 0.001 0.000 0.240 92 L C 1.237 178.102 176.870 -0.008 0.000 1.178 92 L CA -0.068 54.776 54.840 0.006 0.000 0.970 92 L CB -0.700 41.332 42.059 -0.046 0.000 1.179 92 L HN 0.500 nan 8.230 nan 0.000 0.435 93 K N -1.076 119.353 120.400 0.048 0.000 2.829 93 K HA 0.100 4.421 4.320 0.001 0.000 0.302 93 K C 0.407 177.066 176.600 0.097 0.000 1.028 93 K CA -0.332 55.961 56.287 0.010 0.000 1.054 93 K CB 0.675 33.244 32.500 0.114 0.000 1.279 93 K HN -0.145 nan 8.250 nan 0.000 0.485 94 D N -1.088 119.452 120.400 0.233 0.000 3.081 94 D HA 0.043 4.684 4.640 0.001 0.000 0.243 94 D C -0.410 175.979 176.300 0.147 0.000 1.388 94 D CA 0.283 54.397 54.000 0.189 0.000 1.245 94 D CB 0.820 41.761 40.800 0.235 0.000 1.319 94 D HN 0.502 nan 8.370 nan 0.000 0.377 95 R N 0.487 121.073 120.500 0.145 0.000 2.734 95 R HA 0.385 4.725 4.340 0.001 0.000 0.242 95 R C -1.566 174.387 176.300 -0.579 0.000 1.617 95 R CA -0.565 55.462 56.100 -0.122 0.000 1.572 95 R CB -1.105 29.214 30.300 0.033 0.000 1.477 95 R HN -0.042 nan 8.270 nan 0.000 0.707 96 Y N 0.150 120.133 120.300 -0.528 0.000 2.693 96 Y HA 0.823 5.373 4.550 0.001 0.000 0.331 96 Y C -0.061 175.491 175.900 -0.580 0.000 1.092 96 Y CA -1.475 56.346 58.100 -0.465 0.000 1.131 96 Y CB 1.816 40.205 38.460 -0.118 0.000 1.318 96 Y HN 0.320 nan 8.280 nan 0.000 0.510 97 R N 0.531 120.955 120.500 -0.127 0.000 2.644 97 R HA 0.528 4.869 4.340 0.001 0.000 0.257 97 R C -2.657 173.643 176.300 0.001 0.000 1.082 97 R CA -0.551 55.457 56.100 -0.154 0.000 0.927 97 R CB 1.056 31.163 30.300 -0.322 0.000 1.258 97 R HN 0.530 nan 8.270 nan 0.000 0.459 98 F N 4.240 124.096 119.950 -0.157 0.000 2.539 98 F HA 0.529 5.056 4.527 0.001 0.000 0.318 98 F C -1.754 173.879 175.800 -0.277 0.000 1.135 98 F CA -0.761 57.139 58.000 -0.165 0.000 0.915 98 F CB 1.385 40.390 39.000 0.007 0.000 1.176 98 F HN 0.517 nan 8.300 nan 0.000 0.440 99 Y N 7.449 127.447 120.300 -0.503 0.000 2.356 99 Y HA 0.334 4.885 4.550 0.001 0.000 0.334 99 Y C 0.975 176.435 175.900 -0.734 0.000 0.958 99 Y CA -0.752 57.110 58.100 -0.397 0.000 1.196 99 Y CB 1.265 39.651 38.460 -0.124 0.000 1.137 99 Y HN 0.712 nan 8.280 nan 0.000 0.485 100 L N 2.465 123.408 121.223 -0.467 0.000 2.002 100 L HA -0.349 3.991 4.340 0.001 0.000 0.242 100 L C 2.439 179.162 176.870 -0.244 0.000 1.095 100 L CA 2.052 56.676 54.840 -0.360 0.000 0.834 100 L CB -0.025 41.971 42.059 -0.105 0.000 0.918 100 L HN 0.793 nan 8.230 nan 0.000 0.438 101 E N -0.665 119.435 120.200 -0.168 0.000 2.301 101 E HA -0.312 4.038 4.350 0.001 0.000 0.202 101 E C 1.729 178.167 176.600 -0.269 0.000 1.017 101 E CA 1.954 58.228 56.400 -0.209 0.000 0.831 101 E CB -0.902 28.643 29.700 -0.258 0.000 0.742 101 E HN 0.710 nan 8.360 nan 0.000 0.491 102 H N 0.515 119.510 119.070 -0.125 0.000 2.520 102 H HA 0.295 4.851 4.556 0.001 0.000 0.279 102 H C 0.607 175.873 175.328 -0.104 0.000 0.990 102 H CA 0.542 56.525 56.048 -0.108 0.000 1.288 102 H CB 0.409 30.107 29.762 -0.107 0.000 1.446 102 H HN 0.042 nan 8.280 nan 0.000 0.538 103 L N 2.553 123.727 121.223 -0.082 0.000 3.521 103 L HA -0.224 4.116 4.340 0.001 0.000 0.653 103 L C -0.573 176.372 176.870 0.125 0.000 1.077 103 L CA 0.455 55.288 54.840 -0.011 0.000 1.144 103 L CB -1.428 40.670 42.059 0.064 0.000 1.447 103 L HN 0.350 nan 8.230 nan 0.000 0.811 104 S N 1.563 117.355 115.700 0.153 0.000 2.543 104 S HA 0.781 5.252 4.470 0.001 0.000 0.274 104 S C -1.054 173.757 174.600 0.352 0.000 1.149 104 S CA -1.120 57.224 58.200 0.241 0.000 0.866 104 S CB 2.464 65.773 63.200 0.181 0.000 1.111 104 S HN 0.368 nan 8.310 nan 0.000 0.457 105 L N 2.461 123.843 121.223 0.266 0.000 2.298 105 L HA 0.861 5.202 4.340 0.001 0.000 0.284 105 L C 0.034 176.965 176.870 0.102 0.000 1.013 105 L CA -0.362 54.620 54.840 0.236 0.000 0.824 105 L CB 0.941 43.139 42.059 0.232 0.000 1.221 105 L HN 1.114 nan 8.230 nan 0.000 0.418 106 A N 6.211 129.064 122.820 0.055 0.000 2.327 106 A HA 0.727 5.047 4.320 0.001 0.000 0.283 106 A C -0.372 177.089 177.584 -0.205 0.000 1.127 106 A CA -0.340 51.687 52.037 -0.016 0.000 0.810 106 A CB 0.182 19.212 19.000 0.050 0.000 1.066 106 A HN 0.703 nan 8.150 nan 0.000 0.492 107 I N 3.119 123.554 120.570 -0.224 0.000 2.537 107 I HA 0.143 4.313 4.170 0.001 0.000 0.276 107 I C -1.130 174.864 176.117 -0.205 0.000 1.063 107 I CA -0.607 60.448 61.300 -0.409 0.000 1.144 107 I CB 0.586 38.370 38.000 -0.360 0.000 1.252 107 I HN 0.527 nan 8.210 nan 0.000 0.480 108 Y N 4.763 124.948 120.300 -0.191 0.000 2.853 108 Y HA -0.059 4.492 4.550 0.001 0.000 0.365 108 Y C 0.946 176.775 175.900 -0.119 0.000 1.310 108 Y CA -0.341 57.684 58.100 -0.126 0.000 1.703 108 Y CB -1.256 37.141 38.460 -0.105 0.000 1.238 108 Y HN 0.574 nan 8.280 nan 0.000 0.510 109 E N 0.210 120.445 120.200 0.058 0.000 2.613 109 E HA -0.168 4.182 4.350 0.001 0.000 0.161 109 E C -0.069 176.514 176.600 -0.028 0.000 1.664 109 E CA 0.356 56.760 56.400 0.006 0.000 0.661 109 E CB -0.902 28.805 29.700 0.012 0.000 1.098 109 E HN 0.681 nan 8.360 nan 0.000 0.364 110 S N 0.709 116.378 115.700 -0.050 0.000 2.559 110 S HA 0.256 4.727 4.470 0.001 0.000 0.282 110 S C 0.617 175.198 174.600 -0.032 0.000 1.336 110 S CA 0.213 58.375 58.200 -0.063 0.000 1.037 110 S CB 1.216 64.377 63.200 -0.065 0.000 0.853 110 S HN 0.497 nan 8.310 nan 0.000 0.523 111 T N -1.080 113.463 114.554 -0.018 0.000 2.905 111 T HA 0.462 4.813 4.350 0.001 0.000 0.283 111 T C 0.867 175.575 174.700 0.012 0.000 1.031 111 T CA -0.912 61.188 62.100 0.001 0.000 1.002 111 T CB 1.387 70.262 68.868 0.011 0.000 1.200 111 T HN 0.710 nan 8.240 nan 0.000 0.560 112 K N 0.402 120.812 120.400 0.017 0.000 2.002 112 K HA -0.056 4.264 4.320 0.001 0.000 0.209 112 K C 0.443 177.066 176.600 0.038 0.000 1.048 112 K CA 0.958 57.258 56.287 0.022 0.000 0.930 112 K CB -0.097 32.416 32.500 0.022 0.000 0.714 112 K HN 0.332 nan 8.250 nan 0.000 0.438 113 K N 2.052 122.480 120.400 0.046 0.000 2.121 113 K HA -0.016 4.305 4.320 0.001 0.000 0.235 113 K C -0.526 176.122 176.600 0.081 0.000 1.200 113 K CA 0.392 56.717 56.287 0.063 0.000 1.115 113 K CB 0.740 33.275 32.500 0.059 0.000 1.474 113 K HN 0.293 nan 8.250 nan 0.000 0.295 114 D N 0.800 121.257 120.400 0.095 0.000 2.811 114 D HA -0.022 4.618 4.640 0.001 0.000 0.370 114 D C -0.254 176.153 176.300 0.179 0.000 1.412 114 D CA 0.104 54.188 54.000 0.141 0.000 0.964 114 D CB 0.433 41.288 40.800 0.093 0.000 1.637 114 D HN 0.368 nan 8.370 nan 0.000 0.377 115 E N -0.107 120.171 120.200 0.130 0.000 2.869 115 E HA 0.613 4.964 4.350 0.001 0.000 0.258 115 E C 0.837 177.549 176.600 0.187 0.000 1.354 115 E CA -0.408 56.058 56.400 0.110 0.000 1.065 115 E CB 0.657 30.380 29.700 0.039 0.000 1.215 115 E HN 0.154 nan 8.360 nan 0.000 0.659 116 G N -0.560 108.317 108.800 0.129 0.000 2.525 116 G HA2 -0.164 3.796 3.960 0.001 0.000 0.685 116 G HA3 -0.164 3.796 3.960 0.001 0.000 0.685 116 G C -1.414 173.630 174.900 0.240 0.000 1.290 116 G CA -0.792 44.430 45.100 0.204 0.000 0.915 116 G HN 0.385 nan 8.290 nan 0.000 0.548 117 W N -0.367 121.043 121.300 0.184 0.000 2.272 117 W HA 0.582 5.243 4.660 0.001 0.000 0.318 117 W C -0.572 175.857 176.519 -0.149 0.000 1.255 117 W CA -0.105 57.259 57.345 0.032 0.000 1.200 117 W CB 0.984 30.366 29.460 -0.130 0.000 1.170 117 W HN 0.399 nan 8.180 nan 0.000 0.549 118 Y N 1.543 121.764 120.300 -0.132 0.000 2.429 118 Y HA 0.434 4.984 4.550 0.001 0.000 0.342 118 Y C -0.507 175.209 175.900 -0.305 0.000 1.004 118 Y CA -1.155 56.909 58.100 -0.061 0.000 1.075 118 Y CB 1.308 39.783 38.460 0.027 0.000 1.214 118 Y HN 0.093 nan 8.280 nan 0.000 0.455 119 F N 3.099 123.192 119.950 0.238 0.000 2.551 119 F HA 0.598 5.125 4.527 0.001 0.000 0.316 119 F C -0.257 175.658 175.800 0.192 0.000 1.089 119 F CA -1.049 57.082 58.000 0.218 0.000 0.915 119 F CB 2.016 41.116 39.000 0.167 0.000 1.186 119 F HN 0.255 nan 8.300 nan 0.000 0.456 120 M N 2.410 122.256 119.600 0.409 0.000 2.253 120 M HA 0.525 5.005 4.480 0.001 0.000 0.314 120 M C -1.510 174.990 176.300 0.333 0.000 1.019 120 M CA -0.118 55.359 55.300 0.296 0.000 0.932 120 M CB 1.710 34.462 32.600 0.253 0.000 1.606 120 M HN 0.667 nan 8.290 nan 0.000 0.430 121 T N 6.245 120.948 114.554 0.248 0.000 2.779 121 T HA 0.517 4.868 4.350 0.001 0.000 0.280 121 T C -0.337 174.435 174.700 0.121 0.000 0.987 121 T CA -0.478 61.724 62.100 0.170 0.000 0.966 121 T CB 0.695 69.630 68.868 0.111 0.000 0.933 121 T HN 0.633 nan 8.240 nan 0.000 0.442 122 L N 4.304 125.595 121.223 0.112 0.000 2.504 122 L HA 0.335 4.676 4.340 0.001 0.000 0.249 122 L C 0.768 177.639 176.870 0.002 0.000 1.120 122 L CA -0.809 54.090 54.840 0.098 0.000 0.997 122 L CB -0.139 42.028 42.059 0.180 0.000 1.349 122 L HN 0.673 nan 8.230 nan 0.000 0.439 123 E N 0.798 120.963 120.200 -0.058 0.000 2.373 123 E HA 0.198 4.549 4.350 0.001 0.000 0.267 123 E C -0.329 176.207 176.600 -0.106 0.000 1.032 123 E CA -0.483 55.824 56.400 -0.155 0.000 0.889 123 E CB 1.513 31.045 29.700 -0.281 0.000 0.984 123 E HN 0.407 nan 8.360 nan 0.000 0.425 124 K N 1.876 122.195 120.400 -0.135 0.000 2.274 124 K HA 0.077 4.398 4.320 0.001 0.000 0.219 124 K C 0.607 177.127 176.600 -0.133 0.000 1.058 124 K CA 0.935 57.161 56.287 -0.102 0.000 0.920 124 K CB 0.135 32.585 32.500 -0.084 0.000 1.124 124 K HN 0.642 nan 8.250 nan 0.000 0.464 125 N N -0.635 117.965 118.700 -0.168 0.000 2.370 125 N HA -0.007 4.733 4.740 0.001 0.000 0.313 125 N C 1.013 176.387 175.510 -0.227 0.000 0.694 125 N CA 0.065 53.001 53.050 -0.190 0.000 0.849 125 N CB 0.033 38.423 38.487 -0.162 0.000 2.143 125 N HN 0.193 nan 8.380 nan 0.000 1.284 126 I N -1.920 118.527 120.570 -0.205 0.000 4.154 126 I HA 0.544 4.715 4.170 0.001 0.000 0.334 126 I C -0.552 175.548 176.117 -0.029 0.000 1.371 126 I CA -0.231 60.956 61.300 -0.189 0.000 1.110 126 I CB 0.601 38.408 38.000 -0.322 0.000 1.085 126 I HN -0.065 nan 8.210 nan 0.000 0.398 127 S N 0.597 116.243 115.700 -0.090 0.000 2.689 127 S HA 0.821 5.292 4.470 0.001 0.000 0.306 127 S C -0.460 174.048 174.600 -0.155 0.000 1.104 127 S CA -0.607 57.552 58.200 -0.068 0.000 0.973 127 S CB 3.029 66.185 63.200 -0.073 0.000 1.121 127 S HN 0.049 nan 8.310 nan 0.000 0.523 128 V N 1.613 121.444 119.914 -0.138 0.000 2.789 128 V HA 0.349 4.470 4.120 0.001 0.000 0.300 128 V C -1.346 174.658 176.094 -0.150 0.000 1.184 128 V CA -0.575 61.606 62.300 -0.198 0.000 0.930 128 V CB 2.086 33.713 31.823 -0.327 0.000 1.041 128 V HN 0.810 nan 8.190 nan 0.000 0.430 129 Q N 3.764 123.496 119.800 -0.114 0.000 2.278 129 Q HA 0.581 4.922 4.340 0.001 0.000 0.257 129 Q C -0.491 175.428 176.000 -0.136 0.000 0.928 129 Q CA -0.086 55.641 55.803 -0.128 0.000 0.932 129 Q CB 1.331 30.072 28.738 0.005 0.000 1.221 129 Q HN 0.645 nan 8.270 nan 0.000 0.434 130 R N 3.646 123.981 120.500 -0.275 0.000 2.480 130 R HA 0.498 4.838 4.340 0.001 0.000 0.306 130 R C -1.397 174.710 176.300 -0.322 0.000 0.958 130 R CA -0.431 55.587 56.100 -0.135 0.000 0.861 130 R CB 0.791 31.073 30.300 -0.030 0.000 1.171 130 R HN 0.562 nan 8.270 nan 0.000 0.445 131 F N 2.626 122.679 119.950 0.173 0.000 2.508 131 F HA 0.467 4.995 4.527 0.001 0.000 0.325 131 F C 0.129 176.026 175.800 0.162 0.000 1.090 131 F CA -0.636 57.451 58.000 0.146 0.000 0.945 131 F CB 1.786 40.861 39.000 0.124 0.000 1.156 131 F HN 0.409 nan 8.300 nan 0.000 0.463 132 c N 5.138 123.885 118.600 0.245 0.000 2.529 132 c HA 0.914 5.484 4.570 0.001 0.000 0.329 132 c C -1.106 172.998 174.090 0.024 0.000 1.194 132 c CA -0.737 55.593 56.329 0.001 0.000 1.779 132 c CB 0.631 43.165 42.510 0.041 0.000 2.322 132 c HN 0.833 nan 8.230 nan 0.000 0.500 133 L N 4.231 125.424 121.223 -0.049 0.000 2.543 133 L HA 0.320 4.661 4.340 0.001 0.000 0.265 133 L C -1.387 175.480 176.870 -0.004 0.000 0.945 133 L CA -0.338 54.511 54.840 0.015 0.000 0.869 133 L CB 1.719 43.802 42.059 0.040 0.000 1.294 133 L HN 0.809 nan 8.230 nan 0.000 0.405 134 H N 4.234 123.167 119.070 -0.228 0.000 2.641 134 H HA 0.447 5.004 4.556 0.001 0.000 0.295 134 H C -1.234 173.893 175.328 -0.335 0.000 1.070 134 H CA -0.419 55.310 56.048 -0.532 0.000 1.257 134 H CB 1.118 30.437 29.762 -0.738 0.000 1.393 134 H HN 0.374 nan 8.280 nan 0.000 0.464 135 L N 4.936 125.908 121.223 -0.419 0.000 2.290 135 L HA 0.364 4.704 4.340 0.001 0.000 0.284 135 L C -0.470 176.076 176.870 -0.540 0.000 1.078 135 L CA -0.098 54.501 54.840 -0.402 0.000 0.815 135 L CB 0.485 42.424 42.059 -0.200 0.000 1.162 135 L HN 0.695 nan 8.230 nan 0.000 0.435 136 K N 5.856 125.961 120.400 -0.491 0.000 2.450 136 K HA 0.555 4.875 4.320 0.001 0.000 0.257 136 K C -1.350 175.139 176.600 -0.184 0.000 0.953 136 K CA -0.573 55.501 56.287 -0.354 0.000 0.844 136 K CB 0.900 33.170 32.500 -0.384 0.000 1.103 136 K HN 0.690 nan 8.250 nan 0.000 0.429 189 S N 0.041 115.727 115.700 -0.024 0.000 2.517 189 S HA 0.508 4.978 4.470 0.001 0.000 0.228 189 S C 0.747 175.347 174.600 0.001 0.000 1.060 189 S CA 0.878 59.076 58.200 -0.004 0.000 0.937 189 S CB 0.117 63.319 63.200 0.004 0.000 0.840 189 S HN 1.442 nan 8.310 nan 0.000 0.546 190 G N 2.095 110.888 108.800 -0.012 0.000 3.382 190 G HA2 0.571 4.531 3.960 0.001 0.000 0.183 190 G HA3 0.571 4.531 3.960 0.001 0.000 0.183 190 G C -2.842 172.028 174.900 -0.051 0.000 1.246 190 G CA -0.586 44.522 45.100 0.012 0.000 0.828 190 G HN 0.406 nan 8.290 nan 0.000 0.728 191 P HA 0.279 nan 4.420 nan 0.000 0.287 191 P C -0.270 176.831 177.300 -0.331 0.000 1.281 191 P CA 0.080 62.918 63.100 -0.438 0.000 0.781 191 P CB 1.037 32.218 31.700 -0.866 0.000 0.903 192 T N 0.555 114.920 114.554 -0.315 0.000 2.901 192 T HA 0.322 4.673 4.350 0.001 0.000 0.301 192 T C 0.190 174.747 174.700 -0.237 0.000 1.012 192 T CA -0.221 61.736 62.100 -0.239 0.000 1.135 192 T CB -0.102 68.623 68.868 -0.237 0.000 0.936 192 T HN 0.342 nan 8.240 nan 0.000 0.539 193 T N 3.011 117.457 114.554 -0.179 0.000 2.885 193 T HA 0.584 4.935 4.350 0.001 0.000 0.285 193 T C -0.116 174.491 174.700 -0.155 0.000 1.019 193 T CA -0.722 61.283 62.100 -0.157 0.000 1.010 193 T CB 0.981 69.781 68.868 -0.113 0.000 1.022 193 T HN 0.657 nan 8.240 nan 0.000 0.466 194 I N 2.604 123.089 120.570 -0.143 0.000 2.537 194 I HA 0.337 4.508 4.170 0.001 0.000 0.276 194 I C -0.099 176.031 176.117 0.023 0.000 1.063 194 I CA -0.777 60.444 61.300 -0.131 0.000 1.144 194 I CB 0.920 38.800 38.000 -0.200 0.000 1.252 194 I HN 0.267 nan 8.210 nan 0.000 0.480 195 R N 4.676 125.158 120.500 -0.030 0.000 2.248 195 R HA 0.388 4.728 4.340 0.001 0.000 0.337 195 R C 0.140 176.408 176.300 -0.053 0.000 1.085 195 R CA -0.233 55.864 56.100 -0.006 0.000 0.934 195 R CB 0.412 30.686 30.300 -0.043 0.000 1.034 195 R HN 0.610 nan 8.270 nan 0.000 0.465 196 G N 3.659 112.476 108.800 0.029 0.000 2.355 196 G HA2 0.148 4.108 3.960 0.001 0.000 0.276 196 G HA3 0.148 4.108 3.960 0.001 0.000 0.276 196 G C -0.962 173.906 174.900 -0.054 0.000 1.198 196 G CA -0.473 44.513 45.100 -0.190 0.000 0.876 196 G HN 0.648 nan 8.290 nan 0.000 0.478 197 Q N 2.522 122.249 119.800 -0.121 0.000 2.257 197 Q HA 0.432 4.772 4.340 0.001 0.000 0.255 197 Q C -0.913 175.234 176.000 0.245 0.000 0.920 197 Q CA -0.506 55.287 55.803 -0.018 0.000 0.927 197 Q CB 0.885 29.555 28.738 -0.114 0.000 1.229 197 Q HN 0.522 nan 8.270 nan 0.000 0.433 198 F N 1.065 121.014 119.950 -0.003 0.000 2.440 198 F HA 0.570 5.098 4.527 0.001 0.000 0.328 198 F C 0.540 176.437 175.800 0.162 0.000 1.070 198 F CA -0.777 57.288 58.000 0.108 0.000 1.011 198 F CB 2.233 41.310 39.000 0.128 0.000 1.226 198 F HN 0.492 nan 8.300 nan 0.000 0.491 199 S N 0.685 116.585 115.700 0.334 0.000 2.578 199 S HA 0.214 4.685 4.470 0.001 0.000 0.272 199 S C -0.827 173.819 174.600 0.078 0.000 1.145 199 S CA -0.793 57.538 58.200 0.219 0.000 0.835 199 S CB 1.292 64.648 63.200 0.261 0.000 1.104 199 S HN 0.785 nan 8.310 nan 0.000 0.458 200 N N 1.807 120.516 118.700 0.016 0.000 2.081 200 N HA 0.145 4.885 4.740 0.001 0.000 0.230 200 N C -0.458 175.000 175.510 -0.087 0.000 1.351 200 N CA -0.245 52.769 53.050 -0.061 0.000 0.840 200 N CB -0.226 38.240 38.487 -0.034 0.000 1.189 200 N HN 0.543 nan 8.380 nan 0.000 0.503 201 M N 1.710 121.266 119.600 -0.073 0.000 2.252 201 M HA 0.087 4.568 4.480 0.001 0.000 0.348 201 M C 0.069 176.301 176.300 -0.113 0.000 1.334 201 M CA 0.585 55.838 55.300 -0.078 0.000 1.071 201 M CB 0.444 33.004 32.600 -0.067 0.000 1.763 201 M HN 0.303 nan 8.290 nan 0.000 0.452 202 S N 3.908 119.552 115.700 -0.093 0.000 2.563 202 S HA 0.384 4.854 4.470 0.001 0.000 0.279 202 S C -0.561 174.007 174.600 -0.054 0.000 1.155 202 S CA -0.924 57.224 58.200 -0.086 0.000 0.928 202 S CB 0.932 64.045 63.200 -0.145 0.000 1.107 202 S HN 0.771 nan 8.310 nan 0.000 0.462 203 L N 3.037 124.255 121.223 -0.009 0.000 2.688 203 L HA 0.348 4.688 4.340 0.001 0.000 0.234 203 L C 0.970 177.886 176.870 0.076 0.000 1.192 203 L CA -0.056 54.778 54.840 -0.010 0.000 0.984 203 L CB 0.246 42.244 42.059 -0.101 0.000 1.232 203 L HN 0.690 nan 8.230 nan 0.000 0.465 204 S N -0.735 114.989 115.700 0.040 0.000 2.651 204 S HA 0.276 4.746 4.470 0.001 0.000 0.291 204 S C 0.591 175.141 174.600 -0.083 0.000 1.141 204 S CA -0.627 57.600 58.200 0.046 0.000 1.027 204 S CB 1.862 65.071 63.200 0.015 0.000 1.043 204 S HN 0.188 nan 8.310 nan 0.000 0.530 205 L N 3.868 125.014 121.223 -0.129 0.000 2.162 205 L HA 0.266 4.606 4.340 0.001 0.000 0.205 205 L C 1.922 178.613 176.870 -0.298 0.000 1.086 205 L CA 1.222 55.867 54.840 -0.324 0.000 0.778 205 L CB -0.761 41.002 42.059 -0.493 0.000 0.928 205 L HN 0.785 nan 8.230 nan 0.000 0.446 206 L N -0.187 120.955 121.223 -0.135 0.000 2.012 206 L HA -0.217 4.123 4.340 0.001 0.000 0.210 206 L C 1.987 178.726 176.870 -0.218 0.000 1.073 206 L CA 1.955 56.618 54.840 -0.295 0.000 0.748 206 L CB -1.087 40.730 42.059 -0.405 0.000 0.891 206 L HN 0.300 nan 8.230 nan 0.000 0.431 207 D N -0.519 119.783 120.400 -0.164 0.000 2.104 207 D HA -0.223 4.417 4.640 0.001 0.000 0.194 207 D C 2.221 178.454 176.300 -0.112 0.000 0.994 207 D CA 1.706 55.623 54.000 -0.138 0.000 0.830 207 D CB -0.394 40.311 40.800 -0.159 0.000 0.959 207 D HN 0.366 nan 8.370 nan 0.000 0.452 208 L N -0.204 120.934 121.223 -0.142 0.000 2.012 208 L HA -0.193 4.147 4.340 0.001 0.000 0.210 208 L C 2.267 179.111 176.870 -0.044 0.000 1.073 208 L CA 1.580 56.346 54.840 -0.124 0.000 0.748 208 L CB -0.666 41.268 42.059 -0.209 0.000 0.891 208 L HN 0.143 nan 8.230 nan 0.000 0.431 209 Y N -1.096 119.113 120.300 -0.152 0.000 2.224 209 Y HA -0.287 4.263 4.550 0.001 0.000 0.289 209 Y C 2.331 178.215 175.900 -0.028 0.000 1.146 209 Y CA 0.970 58.965 58.100 -0.177 0.000 1.182 209 Y CB -0.021 38.295 38.460 -0.239 0.000 0.983 209 Y HN 0.233 nan 8.280 nan 0.000 0.524 210 L N -1.133 120.143 121.223 0.089 0.000 1.973 210 L HA -0.133 4.208 4.340 0.001 0.000 0.208 210 L C 2.325 179.228 176.870 0.055 0.000 1.073 210 L CA 1.207 56.075 54.840 0.046 0.000 0.746 210 L CB -1.065 40.977 42.059 -0.028 0.000 0.891 210 L HN 0.175 nan 8.230 nan 0.000 0.433 211 G N -0.394 108.414 108.800 0.013 0.000 3.229 211 G HA2 -0.091 3.870 3.960 0.001 0.000 0.214 211 G HA3 -0.091 3.870 3.960 0.001 0.000 0.214 211 G C 1.086 176.028 174.900 0.069 0.000 1.256 211 G CA 0.066 45.176 45.100 0.017 0.000 1.042 211 G HN 0.208 nan 8.290 nan 0.000 0.497 212 R N -0.718 119.865 120.500 0.139 0.000 2.504 212 R HA 0.116 4.457 4.340 0.001 0.000 0.396 212 R C 0.994 177.426 176.300 0.221 0.000 0.896 212 R CA 0.167 56.386 56.100 0.197 0.000 1.152 212 R CB 0.378 30.851 30.300 0.288 0.000 1.681 212 R HN 0.374 nan 8.270 nan 0.000 0.537 213 G N 2.373 111.274 108.800 0.168 0.000 2.334 213 G HA2 -0.314 3.646 3.960 0.001 0.000 0.279 213 G HA3 -0.314 3.646 3.960 0.001 0.000 0.279 213 G C -0.451 174.484 174.900 0.058 0.000 0.918 213 G CA 0.632 45.794 45.100 0.104 0.000 1.314 213 G HN 0.195 nan 8.290 nan 0.000 0.463 214 Y N -0.485 119.809 120.300 -0.010 0.000 2.545 214 Y HA 0.364 4.915 4.550 0.001 0.000 0.324 214 Y C 1.345 177.216 175.900 -0.048 0.000 1.220 214 Y CA -1.205 56.861 58.100 -0.056 0.000 1.290 214 Y CB 1.012 39.373 38.460 -0.165 0.000 1.355 214 Y HN 0.329 nan 8.280 nan 0.000 0.516 215 N N 0.339 119.099 118.700 0.100 0.000 3.178 215 N HA 0.159 4.900 4.740 0.001 0.000 0.300 215 N C -1.380 174.165 175.510 0.058 0.000 1.242 215 N CA -0.232 52.859 53.050 0.068 0.000 1.192 215 N CB 0.072 38.593 38.487 0.057 0.000 1.463 215 N HN 0.117 nan 8.380 nan 0.000 0.539 216 V N 1.780 121.717 119.914 0.039 0.000 2.421 216 V HA 0.074 4.195 4.120 0.001 0.000 0.271 216 V C 0.594 176.691 176.094 0.005 0.000 1.031 216 V CA -0.027 62.269 62.300 -0.007 0.000 1.032 216 V CB 0.023 31.789 31.823 -0.096 0.000 1.009 216 V HN 0.484 nan 8.190 nan 0.000 0.477 217 S N 2.724 118.441 115.700 0.028 0.000 2.704 217 S HA 0.656 5.127 4.470 0.001 0.000 0.296 217 S C 0.222 174.832 174.600 0.016 0.000 1.138 217 S CA -0.187 58.024 58.200 0.019 0.000 0.875 217 S CB 1.713 64.932 63.200 0.031 0.000 1.151 217 S HN 1.175 nan 8.310 nan 0.000 0.500 218 S N -0.218 115.482 115.700 0.000 0.000 3.628 218 S HA -0.154 4.317 4.470 0.001 0.000 0.373 218 S C -0.213 174.379 174.600 -0.013 0.000 0.968 218 S CA 0.072 58.270 58.200 -0.004 0.000 1.215 218 S CB -2.000 61.203 63.200 0.005 0.000 0.912 218 S HN 0.640 nan 8.310 nan 0.000 0.495 219 I N 1.610 122.152 120.570 -0.046 0.000 2.529 219 I HA 0.401 4.571 4.170 0.001 0.000 0.284 219 I C 0.384 176.458 176.117 -0.072 0.000 1.082 219 I CA 0.161 61.388 61.300 -0.120 0.000 1.406 219 I CB 1.510 39.306 38.000 -0.340 0.000 1.405 219 I HN 0.143 nan 8.210 nan 0.000 0.548 220 V N 4.947 124.827 119.914 -0.056 0.000 2.614 220 V HA 0.471 4.591 4.120 0.001 0.000 0.281 220 V C -0.132 175.983 176.094 0.035 0.000 1.031 220 V CA -0.551 61.754 62.300 0.009 0.000 0.899 220 V CB 1.314 33.154 31.823 0.028 0.000 1.037 220 V HN 0.922 nan 8.190 nan 0.000 0.456 221 T N 2.402 116.996 114.554 0.066 0.000 2.858 221 T HA 0.980 5.331 4.350 0.001 0.000 0.285 221 T C -0.600 174.203 174.700 0.172 0.000 1.052 221 T CA -0.752 61.421 62.100 0.121 0.000 1.009 221 T CB 2.675 71.615 68.868 0.120 0.000 1.241 221 T HN 0.907 nan 8.240 nan 0.000 0.542 222 M N -0.341 119.373 119.600 0.190 0.000 2.895 222 M HA 0.625 5.105 4.480 0.001 0.000 0.271 222 M C -1.483 174.915 176.300 0.163 0.000 1.174 222 M CA -0.955 54.453 55.300 0.181 0.000 0.816 222 M CB 1.623 34.288 32.600 0.108 0.000 1.647 222 M HN 0.862 nan 8.290 nan 0.000 0.506 223 T N -1.450 113.184 114.554 0.134 0.000 2.916 223 T HA 0.829 5.179 4.350 0.001 0.000 0.292 223 T C -0.735 173.972 174.700 0.011 0.000 1.055 223 T CA -0.812 61.303 62.100 0.024 0.000 1.009 223 T CB 1.883 70.730 68.868 -0.035 0.000 1.118 223 T HN 0.921 nan 8.240 nan 0.000 0.497 224 S N 0.737 116.399 115.700 -0.062 0.000 2.590 224 S HA 0.254 4.724 4.470 0.001 0.000 0.286 224 S C -0.224 174.333 174.600 -0.071 0.000 1.147 224 S CA -0.549 57.626 58.200 -0.042 0.000 0.963 224 S CB 0.564 63.731 63.200 -0.054 0.000 1.124 224 S HN 0.927 nan 8.310 nan 0.000 0.458 225 Q N 2.610 122.390 119.800 -0.032 0.000 2.375 225 Q HA -0.290 4.050 4.340 0.001 0.000 0.242 225 Q C 0.988 176.952 176.000 -0.060 0.000 0.956 225 Q CA 1.368 57.153 55.803 -0.031 0.000 1.163 225 Q CB -1.906 26.814 28.738 -0.030 0.000 1.680 225 Q HN 1.799 nan 8.270 nan 0.000 0.547 226 G N -0.642 108.090 108.800 -0.114 0.000 2.205 226 G HA2 -0.170 3.790 3.960 0.001 0.000 0.180 226 G HA3 -0.170 3.790 3.960 0.001 0.000 0.180 226 G C 0.024 174.788 174.900 -0.227 0.000 1.004 226 G CA 0.050 45.066 45.100 -0.141 0.000 0.670 226 G HN 0.404 nan 8.290 nan 0.000 0.496 227 M N -0.469 118.980 119.600 -0.252 0.000 2.572 227 M HA 0.873 5.354 4.480 0.001 0.000 0.299 227 M C -0.452 175.673 176.300 -0.291 0.000 1.205 227 M CA -1.532 53.569 55.300 -0.331 0.000 0.876 227 M CB 1.658 34.053 32.600 -0.341 0.000 1.728 227 M HN 0.540 nan 8.290 nan 0.000 0.458 228 Y N -0.904 119.165 120.300 -0.385 0.000 2.598 228 Y HA 1.064 5.614 4.550 0.001 0.000 0.340 228 Y C -0.483 175.323 175.900 -0.155 0.000 1.038 228 Y CA -0.949 56.977 58.100 -0.289 0.000 1.100 228 Y CB 1.804 40.029 38.460 -0.392 0.000 1.281 228 Y HN 1.035 nan 8.280 nan 0.000 0.488 229 G N -0.704 108.187 108.800 0.152 0.000 2.703 229 G HA2 0.624 4.584 3.960 0.001 0.000 0.294 229 G HA3 0.624 4.584 3.960 0.001 0.000 0.294 229 G C -1.192 173.826 174.900 0.197 0.000 1.451 229 G CA -0.436 44.718 45.100 0.091 0.000 0.869 229 G HN 1.432 nan 8.290 nan 0.000 0.516 230 G N -1.541 107.367 108.800 0.180 0.000 2.356 230 G HA2 0.665 4.625 3.960 0.001 0.000 0.294 230 G HA3 0.665 4.625 3.960 0.001 0.000 0.294 230 G C -1.435 173.506 174.900 0.068 0.000 1.423 230 G CA 0.337 45.524 45.100 0.145 0.000 0.806 230 G HN 1.107 nan 8.290 nan 0.000 0.527 231 T N -0.591 113.955 114.554 -0.013 0.000 2.900 231 T HA 0.821 5.172 4.350 0.001 0.000 0.295 231 T C -0.909 173.735 174.700 -0.093 0.000 1.044 231 T CA -0.362 61.585 62.100 -0.256 0.000 0.995 231 T CB 1.161 69.808 68.868 -0.369 0.000 1.072 231 T HN 1.199 nan 8.240 nan 0.000 0.473 232 Y N 1.386 121.540 120.300 -0.243 0.000 2.974 232 Y HA 0.774 5.324 4.550 0.001 0.000 0.310 232 Y C -1.292 174.526 175.900 -0.137 0.000 1.551 232 Y CA -1.432 56.562 58.100 -0.176 0.000 1.084 232 Y CB 1.197 39.558 38.460 -0.165 0.000 1.446 232 Y HN 0.407 nan 8.280 nan 0.000 0.472 233 L N 2.010 123.371 121.223 0.230 0.000 2.669 233 L HA 0.368 4.709 4.340 0.001 0.000 0.273 233 L C -0.546 176.416 176.870 0.153 0.000 1.441 233 L CA -0.509 54.403 54.840 0.120 0.000 0.745 233 L CB 1.442 43.535 42.059 0.055 0.000 1.044 233 L HN 0.598 nan 8.230 nan 0.000 0.523 234 V N 1.136 121.191 119.914 0.234 0.000 2.901 234 V HA 0.007 4.127 4.120 0.001 0.000 0.307 234 V C 0.450 176.556 176.094 0.021 0.000 1.084 234 V CA 0.463 62.777 62.300 0.025 0.000 1.184 234 V CB 1.052 32.709 31.823 -0.277 0.000 0.941 234 V HN 0.509 nan 8.190 nan 0.000 0.493 235 E N 6.146 126.354 120.200 0.015 0.000 2.063 235 E HA 0.313 4.663 4.350 0.001 0.000 0.265 235 E C -0.556 176.099 176.600 0.092 0.000 0.919 235 E CA -0.461 55.992 56.400 0.090 0.000 0.756 235 E CB 1.202 30.956 29.700 0.089 0.000 1.120 235 E HN 0.615 nan 8.360 nan 0.000 0.414 236 K N 2.839 123.268 120.400 0.049 0.000 2.118 236 K HA 0.264 4.584 4.320 0.001 0.000 0.240 236 K C -1.756 174.911 176.600 0.112 0.000 1.035 236 K CA -1.413 54.864 56.287 -0.016 0.000 0.899 236 K CB 0.007 32.355 32.500 -0.254 0.000 1.085 236 K HN 0.320 nan 8.250 nan 0.000 0.498 251 M N 2.200 121.876 119.600 0.126 0.000 2.205 251 M HA 0.594 5.074 4.480 0.001 0.000 0.344 251 M C -1.692 174.639 176.300 0.052 0.000 1.085 251 M CA -0.415 54.977 55.300 0.153 0.000 1.001 251 M CB 1.013 33.656 32.600 0.071 0.000 1.626 251 M HN 0.366 nan 8.290 nan 0.000 0.442 252 Y N 2.272 122.578 120.300 0.010 0.000 2.496 252 Y HA 0.583 5.133 4.550 0.001 0.000 0.331 252 Y C -0.105 175.783 175.900 -0.021 0.000 1.140 252 Y CA -0.936 57.170 58.100 0.010 0.000 1.166 252 Y CB 1.357 39.835 38.460 0.030 0.000 1.249 252 Y HN 0.617 nan 8.280 nan 0.000 0.479 253 R N 0.579 121.121 120.500 0.070 0.000 2.604 253 R HA 0.763 5.103 4.340 0.001 0.000 0.287 253 R C -2.212 173.979 176.300 -0.181 0.000 0.970 253 R CA -0.507 55.536 56.100 -0.095 0.000 0.946 253 R CB 1.229 31.471 30.300 -0.097 0.000 1.127 253 R HN 0.481 nan 8.270 nan 0.000 0.473 254 V N 4.335 123.925 119.914 -0.539 0.000 2.789 254 V HA 0.545 4.666 4.120 0.001 0.000 0.311 254 V C -1.141 174.441 176.094 -0.854 0.000 1.073 254 V CA -0.662 61.285 62.300 -0.587 0.000 0.921 254 V CB 1.749 33.058 31.823 -0.857 0.000 1.009 254 V HN 0.637 nan 8.190 nan 0.000 0.426 255 F N 2.242 122.109 119.950 -0.139 0.000 2.482 255 F HA 0.707 5.234 4.527 0.001 0.000 0.331 255 F C 0.162 175.964 175.800 0.002 0.000 1.115 255 F CA -0.359 57.598 58.000 -0.072 0.000 0.955 255 F CB 1.797 40.778 39.000 -0.032 0.000 1.136 255 F HN 0.555 nan 8.300 nan 0.000 0.452 256 E N 2.373 122.660 120.200 0.144 0.000 2.331 256 E HA 0.710 5.060 4.350 0.001 0.000 0.275 256 E C -2.082 174.557 176.600 0.065 0.000 0.895 256 E CA -0.816 55.678 56.400 0.158 0.000 0.753 256 E CB 2.882 32.716 29.700 0.224 0.000 1.216 256 E HN 0.515 nan 8.360 nan 0.000 0.434 257 V N 2.682 122.524 119.914 -0.121 0.000 3.049 257 V HA 0.972 5.092 4.120 0.001 0.000 0.309 257 V C -0.638 175.004 176.094 -0.753 0.000 1.148 257 V CA 0.536 62.584 62.300 -0.420 0.000 0.990 257 V CB 1.719 33.380 31.823 -0.270 0.000 1.039 257 V HN 0.897 nan 8.190 nan 0.000 0.430 258 G N 3.008 111.069 108.800 -1.231 0.000 2.510 258 G HA2 0.561 4.521 3.960 0.001 0.000 0.277 258 G HA3 0.561 4.521 3.960 0.001 0.000 0.277 258 G C -1.818 172.529 174.900 -0.922 0.000 1.223 258 G CA 0.185 44.617 45.100 -1.114 0.000 0.887 258 G HN 1.271 nan 8.290 nan 0.000 0.485 259 V N 1.147 120.725 119.914 -0.560 0.000 2.524 259 V HA 0.336 4.457 4.120 0.001 0.000 0.297 259 V C 0.042 176.039 176.094 -0.161 0.000 1.035 259 V CA -0.418 61.673 62.300 -0.348 0.000 0.867 259 V CB 1.513 33.135 31.823 -0.335 0.000 1.004 259 V HN 0.625 nan 8.190 nan 0.000 0.426 260 I N 5.524 125.917 120.570 -0.296 0.000 2.755 260 I HA 0.069 4.239 4.170 0.001 0.000 0.303 260 I C 1.126 177.192 176.117 -0.086 0.000 1.168 260 I CA 0.532 61.596 61.300 -0.392 0.000 1.588 260 I CB -0.415 37.171 38.000 -0.689 0.000 1.509 260 I HN 0.526 nan 8.210 nan 0.000 0.734 261 R N 3.931 124.440 120.500 0.016 0.000 2.546 261 R HA 0.266 4.607 4.340 0.001 0.000 0.266 261 R C 0.169 176.577 176.300 0.180 0.000 1.086 261 R CA -0.591 55.577 56.100 0.113 0.000 1.160 261 R CB 0.761 31.143 30.300 0.136 0.000 1.138 261 R HN 0.422 nan 8.270 nan 0.000 0.567 262 N N 0.693 119.529 118.700 0.226 0.000 2.727 262 N HA 0.243 4.984 4.740 0.001 0.000 0.252 262 N C -2.292 173.330 175.510 0.186 0.000 1.283 262 N CA -1.158 52.082 53.050 0.317 0.000 0.782 262 N CB 1.091 39.861 38.487 0.472 0.000 1.199 262 N HN 0.253 nan 8.380 nan 0.000 0.520 263 P HA 0.192 nan 4.420 nan 0.000 0.236 263 P C 0.150 177.504 177.300 0.089 0.000 1.172 263 P CA 0.619 63.769 63.100 0.084 0.000 0.759 263 P CB 0.056 31.785 31.700 0.049 0.000 0.843 264 G N 0.015 108.894 108.800 0.132 0.000 2.452 264 G HA2 -0.196 3.764 3.960 0.001 0.000 0.275 264 G HA3 -0.196 3.764 3.960 0.001 0.000 0.275 264 G C 0.055 175.022 174.900 0.112 0.000 1.131 264 G CA -0.409 44.766 45.100 0.126 0.000 1.031 264 G HN 0.369 nan 8.290 nan 0.000 0.511 265 L N -0.241 121.059 121.223 0.128 0.000 3.202 265 L HA 0.451 4.792 4.340 0.001 0.000 0.278 265 L C 1.929 178.867 176.870 0.113 0.000 1.268 265 L CA 0.167 55.061 54.840 0.090 0.000 1.034 265 L CB 0.186 42.272 42.059 0.045 0.000 1.407 265 L HN 1.146 nan 8.230 nan 0.000 0.581 266 G N 0.773 109.684 108.800 0.185 0.000 2.377 266 G HA2 -0.302 3.658 3.960 0.001 0.000 0.250 266 G HA3 -0.302 3.658 3.960 0.001 0.000 0.250 266 G C 0.294 175.369 174.900 0.291 0.000 1.039 266 G CA 0.260 45.506 45.100 0.242 0.000 0.625 266 G HN 0.625 nan 8.290 nan 0.000 0.526 267 A N 0.517 123.352 122.820 0.025 0.000 2.479 267 A HA 0.888 5.209 4.320 0.001 0.000 0.296 267 A C -2.817 174.112 177.584 -1.093 0.000 1.121 267 A CA -1.004 50.685 52.037 -0.579 0.000 0.743 267 A CB 1.930 20.675 19.000 -0.426 0.000 1.323 267 A HN 0.256 nan 8.150 nan 0.000 0.415 268 P HA 0.295 nan 4.420 nan 0.000 0.276 268 P C -0.772 176.163 177.300 -0.608 0.000 1.235 268 P CA 0.146 62.239 63.100 -1.678 0.000 0.772 268 P CB 0.999 31.535 31.700 -1.940 0.000 0.871 269 V N 5.196 124.961 119.914 -0.249 0.000 2.313 269 V HA 0.187 4.307 4.120 0.001 0.000 0.278 269 V C 0.174 176.353 176.094 0.141 0.000 1.017 269 V CA -0.547 61.723 62.300 -0.051 0.000 0.823 269 V CB 0.116 31.917 31.823 -0.036 0.000 1.010 269 V HN 0.329 nan 8.190 nan 0.000 0.443 270 F N 4.261 124.108 119.950 -0.171 0.000 2.490 270 F HA 0.206 4.734 4.527 0.001 0.000 0.357 270 F C 0.874 176.744 175.800 0.116 0.000 1.166 270 F CA -0.101 57.832 58.000 -0.112 0.000 1.116 270 F CB -0.491 38.242 39.000 -0.445 0.000 1.171 270 F HN 0.528 nan 8.300 nan 0.000 0.576 271 H N 5.105 124.309 119.070 0.222 0.000 2.604 271 H HA 0.345 4.902 4.556 0.001 0.000 0.306 271 H C -0.085 175.340 175.328 0.162 0.000 1.075 271 H CA -0.974 55.162 56.048 0.147 0.000 1.357 271 H CB 0.869 30.661 29.762 0.051 0.000 1.426 271 H HN 0.637 nan 8.280 nan 0.000 0.470 272 M N 5.062 124.924 119.600 0.436 0.000 2.185 272 M HA 0.098 4.578 4.480 0.001 0.000 0.357 272 M C 0.013 176.224 176.300 -0.148 0.000 1.260 272 M CA 0.189 55.564 55.300 0.125 0.000 1.124 272 M CB 0.923 33.628 32.600 0.175 0.000 1.600 272 M HN 0.768 nan 8.290 nan 0.000 0.467 273 T N -0.016 114.352 114.554 -0.311 0.000 3.016 273 T HA 0.337 4.687 4.350 0.001 0.000 0.271 273 T C -0.177 174.457 174.700 -0.110 0.000 0.968 273 T CA -0.431 61.486 62.100 -0.305 0.000 0.891 273 T CB -0.083 68.430 68.868 -0.593 0.000 1.149 273 T HN 0.707 nan 8.240 nan 0.000 0.524 274 N N 0.685 119.351 118.700 -0.057 0.000 2.864 274 N HA 0.351 5.091 4.740 0.001 0.000 0.247 274 N C -1.851 173.739 175.510 0.134 0.000 1.071 274 N CA -0.770 52.298 53.050 0.030 0.000 1.056 274 N CB 1.260 39.716 38.487 -0.052 0.000 1.661 274 N HN 0.409 nan 8.380 nan 0.000 0.570 275 Y N 1.895 122.186 120.300 -0.014 0.000 2.615 275 Y HA 0.852 5.402 4.550 0.001 0.000 0.341 275 Y C -2.109 173.818 175.900 0.045 0.000 1.089 275 Y CA -1.281 56.831 58.100 0.020 0.000 1.049 275 Y CB 1.138 39.612 38.460 0.024 0.000 1.296 275 Y HN 0.352 nan 8.280 nan 0.000 0.470 276 L N 2.481 123.761 121.223 0.095 0.000 2.406 276 L HA 0.548 4.889 4.340 0.001 0.000 0.272 276 L C -1.238 175.739 176.870 0.178 0.000 0.980 276 L CA -0.450 54.392 54.840 0.004 0.000 0.831 276 L CB 1.935 44.036 42.059 0.070 0.000 1.253 276 L HN 0.892 nan 8.230 nan 0.000 0.406 277 E N 4.341 124.584 120.200 0.071 0.000 2.187 277 E HA 0.596 4.947 4.350 0.001 0.000 0.268 277 E C -1.548 175.192 176.600 0.233 0.000 0.896 277 E CA -0.452 56.076 56.400 0.213 0.000 0.766 277 E CB 1.228 31.086 29.700 0.263 0.000 1.142 277 E HN 0.686 nan 8.360 nan 0.000 0.408 278 Q N 4.062 124.033 119.800 0.286 0.000 2.391 278 Q HA 0.339 4.680 4.340 0.001 0.000 0.279 278 Q C -2.524 173.485 176.000 0.014 0.000 1.028 278 Q CA -1.981 53.938 55.803 0.193 0.000 0.836 278 Q CB 2.589 31.403 28.738 0.126 0.000 1.414 278 Q HN 0.502 nan 8.270 nan 0.000 0.397 279 P HA 0.099 nan 4.420 nan 0.000 0.306 279 P C -0.522 176.628 177.300 -0.250 0.000 1.301 279 P CA -0.218 62.500 63.100 -0.636 0.000 0.744 279 P CB 0.519 31.870 31.700 -0.581 0.000 1.400 280 V N -1.381 118.412 119.914 -0.201 0.000 2.555 280 V HA 0.313 4.433 4.120 0.001 0.000 0.302 280 V C 0.996 177.059 176.094 -0.053 0.000 1.038 280 V CA -0.706 61.541 62.300 -0.087 0.000 0.887 280 V CB 0.858 32.644 31.823 -0.062 0.000 0.991 280 V HN 0.736 nan 8.190 nan 0.000 0.434 286 N N 2.491 121.255 118.700 0.107 0.000 2.531 286 N HA 0.432 5.172 4.740 0.001 0.000 0.268 286 N C -1.207 174.341 175.510 0.063 0.000 1.023 286 N CA -0.236 52.864 53.050 0.083 0.000 0.896 286 N CB 1.346 39.889 38.487 0.093 0.000 1.233 286 N HN 0.473 nan 8.380 nan 0.000 0.512 287 c N 2.472 121.086 118.600 0.024 0.000 2.411 287 c HA 0.645 5.216 4.570 0.001 0.000 0.330 287 c C 0.531 174.592 174.090 -0.047 0.000 1.224 287 c CA -0.990 55.335 56.329 -0.007 0.000 1.770 287 c CB 0.249 42.791 42.510 0.052 0.000 2.297 287 c HN 0.644 nan 8.230 nan 0.000 0.507 288 M N 2.959 122.445 119.600 -0.190 0.000 2.078 288 M HA 0.652 5.133 4.480 0.001 0.000 0.320 288 M C -0.285 175.996 176.300 -0.031 0.000 0.969 288 M CA -0.391 54.794 55.300 -0.192 0.000 0.929 288 M CB 0.771 33.043 32.600 -0.546 0.000 1.504 288 M HN 0.523 nan 8.290 nan 0.000 0.419 289 V N 1.419 121.467 119.914 0.223 0.000 3.170 289 V HA 1.036 5.156 4.120 0.001 0.000 0.309 289 V C -0.211 176.188 176.094 0.508 0.000 1.071 289 V CA -0.209 62.305 62.300 0.357 0.000 1.063 289 V CB 1.354 33.309 31.823 0.221 0.000 1.123 289 V HN 1.110 nan 8.190 nan 0.000 0.464 290 A N 3.136 126.145 122.820 0.316 0.000 2.517 290 A HA 0.797 5.118 4.320 0.001 0.000 0.297 290 A C -1.134 176.430 177.584 -0.033 0.000 1.050 290 A CA -0.669 51.391 52.037 0.039 0.000 0.694 290 A CB 1.413 20.251 19.000 -0.269 0.000 1.277 290 A HN 0.993 nan 8.150 nan 0.000 0.400 291 L N 0.821 121.985 121.223 -0.098 0.000 2.271 291 L HA 0.935 5.275 4.340 0.001 0.000 0.265 291 L C 0.524 177.316 176.870 -0.130 0.000 1.013 291 L CA -0.315 54.467 54.840 -0.096 0.000 0.820 291 L CB 2.380 44.393 42.059 -0.076 0.000 1.352 291 L HN 1.521 nan 8.230 nan 0.000 0.443 292 G N 0.126 108.858 108.800 -0.113 0.000 2.535 292 G HA2 0.033 3.994 3.960 0.001 0.000 0.662 292 G HA3 0.033 3.994 3.960 0.001 0.000 0.662 292 G C -0.791 174.054 174.900 -0.092 0.000 1.417 292 G CA -0.816 44.221 45.100 -0.104 0.000 0.866 292 G HN 0.707 nan 8.290 nan 0.000 0.647 293 E N 0.955 121.111 120.200 -0.073 0.000 2.252 293 E HA -0.184 4.166 4.350 0.001 0.000 0.199 293 E C 1.394 177.958 176.600 -0.059 0.000 1.352 293 E CA 0.540 56.906 56.400 -0.057 0.000 0.682 293 E CB -0.910 28.756 29.700 -0.057 0.000 1.142 293 E HN 1.348 nan 8.360 nan 0.000 0.367 294 L N -2.538 118.643 121.223 -0.070 0.000 4.396 294 L HA -0.340 4.001 4.340 0.001 0.000 0.440 294 L C 0.820 177.624 176.870 -0.110 0.000 1.113 294 L CA 2.275 57.062 54.840 -0.088 0.000 0.975 294 L CB -1.633 40.419 42.059 -0.011 0.000 1.852 294 L HN 0.550 nan 8.230 nan 0.000 1.048 295 K N -0.138 120.200 120.400 -0.103 0.000 2.482 295 K HA 0.787 5.107 4.320 0.001 0.000 0.257 295 K C -0.884 175.660 176.600 -0.094 0.000 0.969 295 K CA -1.158 55.071 56.287 -0.097 0.000 0.842 295 K CB 2.724 35.184 32.500 -0.067 0.000 1.359 295 K HN -0.028 nan 8.250 nan 0.000 0.441 296 L N 0.135 121.313 121.223 -0.074 0.000 2.362 296 L HA 0.832 5.173 4.340 0.001 0.000 0.275 296 L C -1.555 175.319 176.870 0.007 0.000 0.998 296 L CA -0.283 54.538 54.840 -0.031 0.000 0.820 296 L CB 1.953 43.999 42.059 -0.022 0.000 1.270 296 L HN 0.920 nan 8.230 nan 0.000 0.415 297 A N 3.682 126.539 122.820 0.061 0.000 2.386 297 A HA 1.015 5.335 4.320 0.001 0.000 0.311 297 A C -0.856 176.915 177.584 0.313 0.000 1.068 297 A CA -0.033 52.079 52.037 0.125 0.000 0.743 297 A CB 1.496 20.552 19.000 0.093 0.000 1.258 297 A HN 1.415 nan 8.150 nan 0.000 0.429 298 A N 0.790 123.749 122.820 0.232 0.000 2.430 298 A HA 0.869 5.189 4.320 0.001 0.000 0.300 298 A C -1.620 175.953 177.584 -0.018 0.000 1.124 298 A CA -0.498 51.663 52.037 0.206 0.000 0.766 298 A CB 1.464 20.659 19.000 0.324 0.000 1.328 298 A HN 1.435 nan 8.150 nan 0.000 0.424 299 L N 0.737 121.762 121.223 -0.329 0.000 2.441 299 L HA 0.612 4.952 4.340 0.001 0.000 0.270 299 L C -0.738 175.953 176.870 -0.299 0.000 0.973 299 L CA 0.105 54.669 54.840 -0.459 0.000 0.842 299 L CB 1.217 42.626 42.059 -1.082 0.000 1.239 299 L HN 0.875 nan 8.230 nan 0.000 0.406 300 c N 2.712 121.287 118.600 -0.041 0.000 2.803 300 c HA 0.764 5.334 4.570 0.001 0.000 0.389 300 c C 0.340 174.590 174.090 0.267 0.000 1.433 300 c CA -0.397 55.987 56.329 0.092 0.000 1.714 300 c CB 1.844 44.448 42.510 0.158 0.000 2.106 300 c HN 0.933 nan 8.230 nan 0.000 0.480 301 H N -1.708 117.449 119.070 0.145 0.000 5.184 301 H HA 0.375 4.932 4.556 0.001 0.000 0.208 301 H C 0.618 175.993 175.328 0.079 0.000 1.295 301 H CA 0.957 57.096 56.048 0.152 0.000 0.211 301 H CB 0.512 30.408 29.762 0.223 0.000 1.606 301 H HN 0.747 nan 8.280 nan 0.000 0.351 302 G N 0.472 109.569 108.800 0.495 0.000 4.180 302 G HA2 0.037 3.998 3.960 0.001 0.000 0.166 302 G HA3 0.037 3.998 3.960 0.001 0.000 0.166 302 G C -0.451 174.576 174.900 0.212 0.000 0.816 302 G CA -0.164 45.099 45.100 0.271 0.000 0.880 302 G HN 0.280 nan 8.290 nan 0.000 0.399 303 E N 0.800 121.123 120.200 0.204 0.000 2.232 303 E HA 0.462 4.812 4.350 0.001 0.000 0.264 303 E C -0.323 176.227 176.600 -0.084 0.000 0.973 303 E CA -0.503 55.891 56.400 -0.009 0.000 0.849 303 E CB 1.791 31.445 29.700 -0.076 0.000 1.198 303 E HN 0.033 nan 8.360 nan 0.000 0.407 304 D N -0.408 119.983 120.400 -0.015 0.000 2.366 304 D HA 0.052 4.693 4.640 0.001 0.000 0.205 304 D C -0.266 176.045 176.300 0.018 0.000 1.022 304 D CA 0.440 54.466 54.000 0.044 0.000 0.868 304 D CB 0.414 41.288 40.800 0.123 0.000 0.953 304 D HN -0.009 nan 8.370 nan 0.000 0.514 305 S N 1.237 116.897 115.700 -0.066 0.000 2.669 305 S HA 0.380 4.851 4.470 0.001 0.000 0.315 305 S C -0.458 173.987 174.600 -0.259 0.000 1.106 305 S CA -0.670 57.422 58.200 -0.180 0.000 1.107 305 S CB 1.161 64.326 63.200 -0.058 0.000 0.990 305 S HN -0.004 nan 8.310 nan 0.000 0.471 306 I N 3.282 123.651 120.570 -0.335 0.000 2.328 306 I HA 0.247 4.418 4.170 0.001 0.000 0.287 306 I C 0.385 176.339 176.117 -0.272 0.000 1.012 306 I CA -0.585 60.539 61.300 -0.292 0.000 1.195 306 I CB 0.522 38.357 38.000 -0.275 0.000 1.350 306 I HN 0.382 nan 8.210 nan 0.000 0.464 307 T N 7.098 121.521 114.554 -0.218 0.000 2.863 307 T HA 0.344 4.695 4.350 0.001 0.000 0.299 307 T C 0.427 174.989 174.700 -0.230 0.000 0.973 307 T CA -0.337 61.633 62.100 -0.216 0.000 0.994 307 T CB -0.228 68.540 68.868 -0.167 0.000 0.961 307 T HN 0.139 nan 8.240 nan 0.000 0.552 308 I N 6.299 126.720 120.570 -0.248 0.000 2.494 308 I HA 0.215 4.385 4.170 0.001 0.000 0.289 308 I C -1.893 173.983 176.117 -0.402 0.000 1.106 308 I CA -2.357 58.792 61.300 -0.252 0.000 1.369 308 I CB -0.051 37.835 38.000 -0.189 0.000 1.410 308 I HN 0.328 nan 8.210 nan 0.000 0.523 309 P HA 0.119 nan 4.420 nan 0.000 0.272 309 P C -0.319 176.724 177.300 -0.427 0.000 1.230 309 P CA 0.149 62.955 63.100 -0.490 0.000 0.788 309 P CB 0.385 31.947 31.700 -0.231 0.000 0.949 310 Y N -1.302 118.984 120.300 -0.023 0.000 2.522 310 Y HA 0.105 4.655 4.550 0.001 0.000 0.277 310 Y C 1.524 177.416 175.900 -0.014 0.000 1.104 310 Y CA 0.111 58.200 58.100 -0.019 0.000 1.260 310 Y CB -0.135 38.316 38.460 -0.014 0.000 1.151 310 Y HN 0.265 nan 8.280 nan 0.000 0.539 311 Q N 0.304 120.205 119.800 0.168 0.000 3.317 311 Q HA 0.388 4.729 4.340 0.001 0.000 0.322 311 Q C 0.745 176.773 176.000 0.046 0.000 0.945 311 Q CA -0.200 55.660 55.803 0.095 0.000 0.793 311 Q CB 0.045 28.845 28.738 0.102 0.000 2.225 311 Q HN 0.120 nan 8.270 nan 0.000 0.392 312 G N 1.573 110.396 108.800 0.038 0.000 3.471 312 G HA2 0.214 4.175 3.960 0.001 0.000 0.254 312 G HA3 0.214 4.175 3.960 0.001 0.000 0.254 312 G C -0.200 174.710 174.900 0.017 0.000 1.199 312 G CA 0.206 45.318 45.100 0.020 0.000 1.683 312 G HN 0.474 nan 8.290 nan 0.000 0.625 313 S N 0.162 115.871 115.700 0.014 0.000 2.665 313 S HA 0.610 5.080 4.470 0.001 0.000 0.230 313 S C 0.666 175.251 174.600 -0.025 0.000 1.326 313 S CA -0.157 58.047 58.200 0.006 0.000 1.055 313 S CB 0.583 63.801 63.200 0.029 0.000 1.178 313 S HN 1.565 nan 8.310 nan 0.000 0.489 314 G N 2.663 111.452 108.800 -0.019 0.000 2.757 314 G HA2 -0.121 3.840 3.960 0.001 0.000 0.686 314 G HA3 -0.121 3.840 3.960 0.001 0.000 0.686 314 G C -0.437 174.444 174.900 -0.031 0.000 1.452 314 G CA -0.559 44.525 45.100 -0.026 0.000 0.922 314 G HN 1.128 nan 8.290 nan 0.000 0.588 315 K N 0.229 120.617 120.400 -0.021 0.000 2.494 315 K HA 0.450 4.771 4.320 0.001 0.000 0.273 315 K C 1.486 178.066 176.600 -0.032 0.000 0.970 315 K CA 0.455 56.737 56.287 -0.007 0.000 0.963 315 K CB 0.207 32.717 32.500 0.017 0.000 0.913 315 K HN 1.422 nan 8.250 nan 0.000 0.502 316 G N 0.804 109.584 108.800 -0.034 0.000 3.181 316 G HA2 0.257 4.218 3.960 0.001 0.000 0.219 316 G HA3 0.257 4.218 3.960 0.001 0.000 0.219 316 G C -0.526 174.312 174.900 -0.105 0.000 1.182 316 G CA -0.250 44.803 45.100 -0.079 0.000 0.791 316 G HN 0.520 nan 8.290 nan 0.000 0.537 317 V N -0.575 119.304 119.914 -0.058 0.000 3.806 317 V HA -0.174 3.947 4.120 0.001 0.000 0.541 317 V C 0.260 176.232 176.094 -0.203 0.000 0.683 317 V CA 0.814 63.071 62.300 -0.072 0.000 2.106 317 V CB -1.066 30.694 31.823 -0.106 0.000 2.499 317 V HN 0.475 nan 8.190 nan 0.000 0.520 318 S N 1.124 116.671 115.700 -0.255 0.000 2.541 318 S HA 0.799 5.270 4.470 0.001 0.000 0.271 318 S C -0.535 173.689 174.600 -0.625 0.000 1.133 318 S CA -0.663 57.191 58.200 -0.577 0.000 0.876 318 S CB 1.732 64.308 63.200 -1.041 0.000 1.105 318 S HN 0.541 nan 8.310 nan 0.000 0.470 319 F N 1.487 121.254 119.950 -0.304 0.000 2.142 319 F HA 0.467 4.995 4.527 0.001 0.000 0.199 319 F C 0.967 176.635 175.800 -0.219 0.000 0.732 319 F CA -0.090 57.776 58.000 -0.223 0.000 1.126 319 F CB 0.290 39.194 39.000 -0.161 0.000 2.153 319 F HN 0.419 nan 8.300 nan 0.000 0.646 320 Q N 0.931 120.794 119.800 0.106 0.000 2.709 320 Q HA 0.331 4.672 4.340 0.001 0.000 0.232 320 Q C -1.744 174.248 176.000 -0.013 0.000 0.856 320 Q CA -0.252 55.567 55.803 0.028 0.000 0.788 320 Q CB 1.164 29.930 28.738 0.047 0.000 1.386 320 Q HN 0.479 nan 8.270 nan 0.000 0.453 321 L N 3.437 124.637 121.223 -0.038 0.000 2.380 321 L HA 0.679 5.019 4.340 0.001 0.000 0.273 321 L C -1.201 175.606 176.870 -0.106 0.000 1.138 321 L CA 0.045 54.854 54.840 -0.052 0.000 0.832 321 L CB 1.035 43.076 42.059 -0.030 0.000 1.124 321 L HN 0.484 nan 8.230 nan 0.000 0.454 322 V N 4.958 124.782 119.914 -0.150 0.000 2.709 322 V HA 0.546 4.666 4.120 0.001 0.000 0.308 322 V C -0.623 175.369 176.094 -0.171 0.000 1.062 322 V CA -0.891 61.241 62.300 -0.279 0.000 0.901 322 V CB 1.892 33.303 31.823 -0.687 0.000 1.003 322 V HN 0.766 nan 8.190 nan 0.000 0.425 323 K N 3.739 124.047 120.400 -0.153 0.000 2.565 323 K HA 0.754 5.074 4.320 0.001 0.000 0.249 323 K C -2.204 174.340 176.600 -0.093 0.000 0.958 323 K CA -0.527 55.706 56.287 -0.089 0.000 0.806 323 K CB 1.586 34.050 32.500 -0.059 0.000 1.194 323 K HN 0.458 nan 8.250 nan 0.000 0.434 324 L N 1.931 123.109 121.223 -0.075 0.000 2.371 324 L HA 0.687 5.028 4.340 0.001 0.000 0.262 324 L C 0.215 177.043 176.870 -0.070 0.000 1.006 324 L CA -0.410 54.389 54.840 -0.067 0.000 0.818 324 L CB 2.101 44.128 42.059 -0.053 0.000 1.354 324 L HN 0.759 nan 8.230 nan 0.000 0.415 325 G N 0.028 108.787 108.800 -0.068 0.000 2.489 325 G HA2 0.508 4.468 3.960 0.001 0.000 0.327 325 G HA3 0.508 4.468 3.960 0.001 0.000 0.327 325 G C 0.666 175.458 174.900 -0.179 0.000 1.189 325 G CA -0.523 44.526 45.100 -0.085 0.000 0.962 325 G HN 0.392 nan 8.290 nan 0.000 0.486 326 V N -0.506 119.223 119.914 -0.308 0.000 2.380 326 V HA -0.097 4.023 4.120 0.001 0.000 0.251 326 V C 0.417 176.063 176.094 -0.746 0.000 1.063 326 V CA 1.379 63.287 62.300 -0.653 0.000 1.055 326 V CB -0.650 30.631 31.823 -0.904 0.000 0.657 326 V HN 0.556 nan 8.190 nan 0.000 0.455 327 W N -0.475 120.760 121.300 -0.108 0.000 2.587 327 W HA 0.541 5.201 4.660 0.001 0.000 0.324 327 W C 0.026 176.502 176.519 -0.071 0.000 1.040 327 W CA -1.118 56.173 57.345 -0.090 0.000 1.222 327 W CB 0.879 30.293 29.460 -0.077 0.000 1.381 327 W HN -0.259 nan 8.180 nan 0.000 0.483 328 K N 2.763 123.262 120.400 0.165 0.000 2.451 328 K HA 0.297 4.617 4.320 0.001 0.000 0.280 328 K C 0.021 176.663 176.600 0.071 0.000 1.020 328 K CA 0.504 56.836 56.287 0.075 0.000 1.008 328 K CB 0.417 32.946 32.500 0.048 0.000 0.917 328 K HN 0.531 nan 8.250 nan 0.000 0.478 329 S N 3.368 119.089 115.700 0.035 0.000 2.794 329 S HA 0.510 4.981 4.470 0.001 0.000 0.299 329 S C -2.402 172.197 174.600 -0.002 0.000 1.179 329 S CA -1.161 57.051 58.200 0.019 0.000 0.838 329 S CB 1.616 64.831 63.200 0.025 0.000 1.206 329 S HN 0.486 nan 8.310 nan 0.000 0.523 330 P HA 0.237 nan 4.420 nan 0.000 0.257 330 P C 0.702 177.992 177.300 -0.018 0.000 1.241 330 P CA 0.373 63.465 63.100 -0.015 0.000 0.816 330 P CB -0.153 31.538 31.700 -0.014 0.000 1.150 331 T N -1.865 112.680 114.554 -0.015 0.000 3.072 331 T HA -0.024 4.327 4.350 0.001 0.000 0.266 331 T C 0.626 175.310 174.700 -0.027 0.000 1.127 331 T CA 0.539 62.627 62.100 -0.019 0.000 1.107 331 T CB -0.630 68.230 68.868 -0.013 0.000 0.910 331 T HN 0.105 nan 8.240 nan 0.000 0.513 332 D N 2.388 122.770 120.400 -0.030 0.000 2.372 332 D HA 0.505 5.145 4.640 0.001 0.000 0.243 332 D C 0.181 176.448 176.300 -0.054 0.000 1.121 332 D CA 0.156 54.128 54.000 -0.047 0.000 0.898 332 D CB 0.912 41.683 40.800 -0.049 0.000 1.202 332 D HN 0.348 nan 8.370 nan 0.000 0.428 333 M N -0.657 118.900 119.600 -0.072 0.000 2.860 333 M HA 0.248 4.728 4.480 0.001 0.000 0.270 333 M C -2.200 174.045 176.300 -0.092 0.000 0.988 333 M CA -0.960 54.299 55.300 -0.069 0.000 0.807 333 M CB 1.468 34.041 32.600 -0.045 0.000 1.708 333 M HN 0.146 nan 8.290 nan 0.000 0.558 334 Q N 0.474 120.223 119.800 -0.084 0.000 2.309 334 Q HA 0.887 5.227 4.340 0.001 0.000 0.254 334 Q C -1.641 174.335 176.000 -0.040 0.000 0.938 334 Q CA -0.532 55.212 55.803 -0.097 0.000 0.789 334 Q CB 2.269 30.905 28.738 -0.169 0.000 1.313 334 Q HN 0.807 nan 8.270 nan 0.000 0.438 335 S N 1.975 117.668 115.700 -0.012 0.000 2.599 335 S HA 0.618 5.088 4.470 0.001 0.000 0.287 335 S C -1.786 172.870 174.600 0.094 0.000 1.105 335 S CA -0.873 57.359 58.200 0.053 0.000 0.899 335 S CB 0.763 63.998 63.200 0.058 0.000 1.100 335 S HN 0.700 nan 8.310 nan 0.000 0.482 336 W N 3.757 125.030 121.300 -0.044 0.000 2.308 336 W HA 0.525 5.185 4.660 0.001 0.000 0.324 336 W C -1.340 175.162 176.519 -0.029 0.000 1.387 336 W CA 0.040 57.358 57.345 -0.045 0.000 1.250 336 W CB 0.217 29.640 29.460 -0.062 0.000 1.257 336 W HN 0.308 nan 8.180 nan 0.000 0.554 337 V N 9.489 129.001 119.914 -0.670 0.000 2.709 337 V HA 0.448 4.568 4.120 0.001 0.000 0.308 337 V C -1.708 173.839 176.094 -0.912 0.000 1.062 337 V CA -2.026 59.864 62.300 -0.683 0.000 0.901 337 V CB 2.228 33.889 31.823 -0.270 0.000 1.003 337 V HN 0.512 nan 8.190 nan 0.000 0.425 338 P HA 0.417 nan 4.420 nan 0.000 0.279 338 P C -1.216 175.928 177.300 -0.260 0.000 1.252 338 P CA -0.477 62.273 63.100 -0.584 0.000 0.811 338 P CB 1.600 33.024 31.700 -0.460 0.000 1.035 339 L N -1.167 119.954 121.223 -0.170 0.000 2.329 339 L HA 0.529 4.869 4.340 0.001 0.000 0.279 339 L C 0.340 177.177 176.870 -0.056 0.000 1.014 339 L CA -0.737 54.069 54.840 -0.057 0.000 0.814 339 L CB 1.801 43.874 42.059 0.024 0.000 1.257 339 L HN 0.203 nan 8.230 nan 0.000 0.424 340 S N 1.909 117.587 115.700 -0.036 0.000 3.232 340 S HA 0.003 4.474 4.470 0.001 0.000 0.298 340 S C 1.064 175.647 174.600 -0.030 0.000 1.159 340 S CA 0.015 58.196 58.200 -0.032 0.000 1.240 340 S CB -1.016 62.169 63.200 -0.025 0.000 1.584 340 S HN 0.837 nan 8.310 nan 0.000 0.558 341 T N 1.422 115.954 114.554 -0.036 0.000 4.210 341 T HA 0.086 4.437 4.350 0.001 0.000 0.229 341 T C 0.709 175.398 174.700 -0.018 0.000 0.813 341 T CA -0.180 61.896 62.100 -0.039 0.000 0.888 341 T CB -0.107 68.728 68.868 -0.055 0.000 1.327 341 T HN 0.559 nan 8.240 nan 0.000 0.739 342 D N 1.444 121.835 120.400 -0.014 0.000 2.087 342 D HA -0.085 4.556 4.640 0.001 0.000 0.201 342 D C 0.662 176.967 176.300 0.008 0.000 0.980 342 D CA 0.660 54.658 54.000 -0.003 0.000 0.849 342 D CB -0.129 40.666 40.800 -0.008 0.000 1.001 342 D HN 0.397 nan 8.370 nan 0.000 0.452 343 D N -0.263 120.137 120.400 0.001 0.000 2.472 343 D HA -0.023 4.617 4.640 0.001 0.000 0.248 343 D C -1.503 174.823 176.300 0.045 0.000 1.174 343 D CA -0.935 53.073 54.000 0.013 0.000 0.883 343 D CB 1.457 42.251 40.800 -0.010 0.000 1.149 343 D HN 0.208 nan 8.370 nan 0.000 0.488 344 P HA -0.063 nan 4.420 nan 0.000 0.235 344 P C 1.329 178.736 177.300 0.179 0.000 1.177 344 P CA 0.039 63.236 63.100 0.161 0.000 0.785 344 P CB 0.543 32.311 31.700 0.114 0.000 0.885 345 V N 0.125 120.096 119.914 0.094 0.000 3.444 345 V HA 0.029 4.149 4.120 0.001 0.000 0.271 345 V C 0.954 177.101 176.094 0.089 0.000 1.188 345 V CA 0.525 62.876 62.300 0.084 0.000 1.168 345 V CB -0.807 31.055 31.823 0.065 0.000 0.810 345 V HN -0.078 nan 8.190 nan 0.000 0.500 346 I N 0.516 121.134 120.570 0.080 0.000 2.330 346 I HA 0.305 4.476 4.170 0.001 0.000 0.289 346 I C 1.005 177.146 176.117 0.040 0.000 1.001 346 I CA -0.275 61.041 61.300 0.026 0.000 1.193 346 I CB 1.379 39.356 38.000 -0.038 0.000 1.345 346 I HN 0.062 nan 8.210 nan 0.000 0.461 347 D N 6.345 126.769 120.400 0.040 0.000 2.128 347 D HA 0.032 4.672 4.640 0.001 0.000 0.213 347 D C 0.594 176.819 176.300 -0.125 0.000 0.983 347 D CA 1.324 55.335 54.000 0.019 0.000 0.889 347 D CB 0.580 41.418 40.800 0.062 0.000 1.018 347 D HN 0.626 nan 8.370 nan 0.000 0.448 348 R N -1.009 119.392 120.500 -0.165 0.000 2.831 348 R HA 0.665 5.005 4.340 0.001 0.000 0.266 348 R C -0.950 175.125 176.300 -0.374 0.000 1.051 348 R CA -0.863 55.059 56.100 -0.298 0.000 0.943 348 R CB 1.047 31.106 30.300 -0.403 0.000 1.228 348 R HN -0.036 nan 8.270 nan 0.000 0.467 349 L N 0.544 121.495 121.223 -0.453 0.000 2.354 349 L HA 0.573 4.914 4.340 0.001 0.000 0.269 349 L C -1.278 175.275 176.870 -0.529 0.000 1.005 349 L CA -1.151 53.472 54.840 -0.363 0.000 0.819 349 L CB 1.601 43.562 42.059 -0.165 0.000 1.311 349 L HN 0.553 nan 8.230 nan 0.000 0.423 350 Y N 2.505 122.795 120.300 -0.017 0.000 2.338 350 Y HA 0.539 5.090 4.550 0.001 0.000 0.328 350 Y C -0.080 175.894 175.900 0.122 0.000 0.965 350 Y CA -0.505 57.624 58.100 0.049 0.000 1.208 350 Y CB 1.475 39.989 38.460 0.090 0.000 1.132 350 Y HN 0.333 nan 8.280 nan 0.000 0.469 351 L N 2.439 123.793 121.223 0.218 0.000 2.416 351 L HA 0.639 4.980 4.340 0.001 0.000 0.262 351 L C 0.631 177.712 176.870 0.352 0.000 1.093 351 L CA -0.161 54.845 54.840 0.277 0.000 0.801 351 L CB 1.616 43.735 42.059 0.100 0.000 1.191 351 L HN 0.830 nan 8.230 nan 0.000 0.459 352 S N -1.067 114.894 115.700 0.436 0.000 6.176 352 S HA 0.111 4.581 4.470 0.001 0.000 0.108 352 S C -0.103 174.451 174.600 -0.076 0.000 1.234 352 S CA -0.025 58.223 58.200 0.081 0.000 1.275 352 S CB 0.647 63.829 63.200 -0.031 0.000 1.979 352 S HN 0.495 nan 8.310 nan 0.000 0.622 353 S N 1.848 117.271 115.700 -0.462 0.000 2.737 353 S HA 0.563 5.034 4.470 0.001 0.000 0.269 353 S C -1.900 172.349 174.600 -0.585 0.000 1.150 353 S CA -0.603 57.400 58.200 -0.327 0.000 1.077 353 S CB 0.361 63.467 63.200 -0.158 0.000 1.075 353 S HN 0.603 nan 8.310 nan 0.000 0.476 354 H N 3.142 122.237 119.070 0.042 0.000 2.679 354 H HA 0.490 5.046 4.556 0.001 0.000 0.360 354 H C -0.412 175.011 175.328 0.157 0.000 1.105 354 H CA -0.866 55.241 56.048 0.098 0.000 1.196 354 H CB 1.598 31.413 29.762 0.088 0.000 1.636 354 H HN 0.447 nan 8.280 nan 0.000 0.531 355 R N 0.769 121.421 120.500 0.254 0.000 2.540 355 R HA 0.554 4.894 4.340 0.001 0.000 0.287 355 R C 0.220 176.617 176.300 0.162 0.000 0.980 355 R CA -0.448 55.758 56.100 0.176 0.000 0.966 355 R CB 1.838 32.156 30.300 0.029 0.000 1.106 355 R HN 0.795 nan 8.270 nan 0.000 0.480 356 G N 0.053 108.891 108.800 0.063 0.000 3.042 356 G HA2 0.572 4.532 3.960 0.001 0.000 0.278 356 G HA3 0.572 4.532 3.960 0.001 0.000 0.278 356 G C -1.628 173.028 174.900 -0.407 0.000 1.371 356 G CA -0.449 44.462 45.100 -0.315 0.000 1.009 356 G HN 0.460 nan 8.290 nan 0.000 0.523 357 V N -0.344 119.259 119.914 -0.518 0.000 2.686 357 V HA 0.691 4.812 4.120 0.001 0.000 0.306 357 V C -1.192 174.678 176.094 -0.373 0.000 1.065 357 V CA -0.890 61.154 62.300 -0.427 0.000 0.894 357 V CB 1.426 32.914 31.823 -0.558 0.000 1.004 357 V HN 0.604 nan 8.190 nan 0.000 0.424 358 I N 6.422 126.828 120.570 -0.273 0.000 2.354 358 I HA 0.842 5.012 4.170 0.001 0.000 0.292 358 I C 0.208 176.243 176.117 -0.137 0.000 0.989 358 I CA -0.256 60.913 61.300 -0.219 0.000 1.188 358 I CB 1.700 39.590 38.000 -0.183 0.000 1.342 358 I HN 0.903 nan 8.210 nan 0.000 0.457 359 A N 3.778 126.532 122.820 -0.110 0.000 2.459 359 A HA 0.544 4.864 4.320 0.001 0.000 0.296 359 A C -0.676 176.850 177.584 -0.096 0.000 1.039 359 A CA -0.561 51.437 52.037 -0.066 0.000 0.698 359 A CB 0.844 19.851 19.000 0.012 0.000 1.261 359 A HN 0.818 nan 8.150 nan 0.000 0.405 360 D N 2.162 122.514 120.400 -0.079 0.000 2.812 360 D HA -0.155 4.485 4.640 0.001 0.000 0.237 360 D C 0.397 176.640 176.300 -0.095 0.000 1.162 360 D CA 1.491 55.440 54.000 -0.085 0.000 0.740 360 D CB -0.923 39.814 40.800 -0.106 0.000 1.000 360 D HN 0.675 nan 8.370 nan 0.000 0.416 361 N N -0.193 118.457 118.700 -0.084 0.000 2.677 361 N HA -0.284 4.457 4.740 0.001 0.000 0.249 361 N C -0.227 175.221 175.510 -0.104 0.000 1.073 361 N CA 1.513 54.512 53.050 -0.085 0.000 0.737 361 N CB -0.336 38.112 38.487 -0.066 0.000 0.999 361 N HN 0.768 nan 8.380 nan 0.000 0.543 362 Q N -0.579 119.142 119.800 -0.133 0.000 2.347 362 Q HA 0.659 5.000 4.340 0.001 0.000 0.271 362 Q C -1.388 174.479 176.000 -0.221 0.000 1.064 362 Q CA -0.696 55.011 55.803 -0.159 0.000 0.800 362 Q CB 1.725 30.360 28.738 -0.172 0.000 1.304 362 Q HN 0.225 nan 8.270 nan 0.000 0.438 363 A N 3.948 126.599 122.820 -0.281 0.000 2.271 363 A HA 0.569 4.889 4.320 0.001 0.000 0.317 363 A C -1.050 176.166 177.584 -0.612 0.000 1.245 363 A CA -0.561 51.147 52.037 -0.548 0.000 0.857 363 A CB 0.715 19.304 19.000 -0.686 0.000 1.175 363 A HN 0.673 nan 8.150 nan 0.000 0.512 364 K N 2.163 122.191 120.400 -0.621 0.000 2.221 364 K HA 0.483 4.803 4.320 0.001 0.000 0.258 364 K C -1.344 174.958 176.600 -0.495 0.000 0.944 364 K CA -0.421 55.654 56.287 -0.354 0.000 0.823 364 K CB 1.767 34.238 32.500 -0.048 0.000 1.113 364 K HN 0.762 nan 8.250 nan 0.000 0.431 365 W N 0.192 121.497 121.300 0.008 0.000 2.975 365 W HA 0.619 5.279 4.660 0.001 0.000 0.342 365 W C -0.898 175.649 176.519 0.047 0.000 1.168 365 W CA -0.825 56.517 57.345 -0.004 0.000 1.141 365 W CB 2.115 31.520 29.460 -0.091 0.000 1.445 365 W HN 0.549 nan 8.180 nan 0.000 0.560 366 A N 1.807 124.822 122.820 0.325 0.000 2.398 366 A HA 0.799 5.120 4.320 0.001 0.000 0.301 366 A C -1.146 176.552 177.584 0.190 0.000 1.041 366 A CA -0.541 51.658 52.037 0.270 0.000 0.711 366 A CB 1.341 20.535 19.000 0.324 0.000 1.240 366 A HN 0.724 nan 8.150 nan 0.000 0.420 367 V N -0.655 119.315 119.914 0.093 0.000 3.087 367 V HA 0.800 4.921 4.120 0.001 0.000 0.306 367 V C -3.090 173.036 176.094 0.053 0.000 1.187 367 V CA -2.445 59.864 62.300 0.015 0.000 0.999 367 V CB 2.125 33.767 31.823 -0.303 0.000 1.049 367 V HN 0.684 nan 8.190 nan 0.000 0.431 368 P HA 0.240 nan 4.420 nan 0.000 0.266 368 P C -0.210 177.185 177.300 0.159 0.000 1.215 368 P CA 0.719 63.916 63.100 0.161 0.000 0.763 368 P CB 0.453 32.408 31.700 0.425 0.000 0.806 369 T N -0.359 114.229 114.554 0.056 0.000 2.881 369 T HA 0.503 4.854 4.350 0.001 0.000 0.290 369 T C 0.209 174.899 174.700 -0.016 0.000 1.000 369 T CA -0.663 61.435 62.100 -0.003 0.000 0.978 369 T CB 0.989 69.820 68.868 -0.062 0.000 0.997 369 T HN 0.367 nan 8.240 nan 0.000 0.443 370 T N 1.652 116.209 114.554 0.004 0.000 2.816 370 T HA 0.722 5.073 4.350 0.001 0.000 0.282 370 T C -0.032 174.665 174.700 -0.005 0.000 0.993 370 T CA -1.016 61.097 62.100 0.021 0.000 0.994 370 T CB 0.759 69.677 68.868 0.082 0.000 1.025 370 T HN 0.823 nan 8.240 nan 0.000 0.529 371 R N -0.433 120.096 120.500 0.048 0.000 2.808 371 R HA 0.503 4.844 4.340 0.001 0.000 0.272 371 R C 0.081 176.455 176.300 0.123 0.000 0.995 371 R CA -0.809 55.341 56.100 0.083 0.000 0.917 371 R CB 1.644 32.004 30.300 0.099 0.000 1.217 371 R HN 0.866 nan 8.270 nan 0.000 0.471 372 T N -1.815 112.811 114.554 0.121 0.000 3.327 372 T HA 0.098 4.448 4.350 0.001 0.000 0.241 372 T C 0.088 174.831 174.700 0.072 0.000 0.907 372 T CA -0.154 61.996 62.100 0.085 0.000 0.931 372 T CB -0.487 68.406 68.868 0.041 0.000 1.112 372 T HN 0.734 nan 8.240 nan 0.000 0.589 373 D N -0.247 120.227 120.400 0.122 0.000 3.048 373 D HA -0.058 4.582 4.640 0.001 0.000 0.290 373 D C 0.130 176.511 176.300 0.136 0.000 1.667 373 D CA -0.175 53.890 54.000 0.108 0.000 0.835 373 D CB -0.404 40.464 40.800 0.113 0.000 1.438 373 D HN 0.388 nan 8.370 nan 0.000 0.463 374 D N 1.840 122.344 120.400 0.174 0.000 2.085 374 D HA -0.153 4.487 4.640 0.001 0.000 0.199 374 D C 1.758 178.060 176.300 0.004 0.000 0.981 374 D CA 0.795 54.893 54.000 0.163 0.000 0.834 374 D CB -0.115 40.819 40.800 0.224 0.000 0.992 374 D HN 0.128 nan 8.370 nan 0.000 0.457 375 K N 0.459 120.875 120.400 0.026 0.000 2.000 375 K HA -0.101 4.220 4.320 0.001 0.000 0.218 375 K C 2.326 178.919 176.600 -0.012 0.000 1.053 375 K CA 1.667 57.962 56.287 0.014 0.000 0.946 375 K CB -0.574 31.942 32.500 0.026 0.000 0.723 375 K HN 0.236 nan 8.250 nan 0.000 0.446 376 L N -0.074 121.142 121.223 -0.011 0.000 2.556 376 L HA -0.100 4.240 4.340 0.001 0.000 0.230 376 L C 1.853 178.689 176.870 -0.057 0.000 1.163 376 L CA 0.874 55.701 54.840 -0.022 0.000 0.819 376 L CB -0.482 41.571 42.059 -0.009 0.000 0.939 376 L HN 0.186 nan 8.230 nan 0.000 0.452 377 R N -0.316 120.114 120.500 -0.116 0.000 2.521 377 R HA 0.222 4.562 4.340 0.001 0.000 0.436 377 R C 0.001 176.103 176.300 -0.330 0.000 0.917 377 R CA 0.095 56.075 56.100 -0.201 0.000 1.080 377 R CB 0.698 30.863 30.300 -0.226 0.000 1.530 377 R HN 0.304 nan 8.270 nan 0.000 0.596 378 M N -1.060 118.419 119.600 -0.202 0.000 3.129 378 M HA 0.155 4.636 4.480 0.001 0.000 0.507 378 M C 0.549 176.853 176.300 0.007 0.000 1.402 378 M CA 0.296 55.502 55.300 -0.158 0.000 0.927 378 M CB 0.445 32.881 32.600 -0.273 0.000 2.113 378 M HN -0.073 nan 8.290 nan 0.000 0.723 379 E N -0.074 120.140 120.200 0.024 0.000 2.072 379 E HA -0.079 4.271 4.350 0.001 0.000 0.191 379 E C 1.594 178.255 176.600 0.101 0.000 0.985 379 E CA 2.122 58.585 56.400 0.104 0.000 0.801 379 E CB -0.122 29.620 29.700 0.071 0.000 0.750 379 E HN 0.690 nan 8.360 nan 0.000 0.452 380 T N -1.534 113.046 114.554 0.043 0.000 2.929 380 T HA -0.142 4.209 4.350 0.001 0.000 0.271 380 T C 2.263 176.983 174.700 0.033 0.000 1.085 380 T CA 1.243 63.359 62.100 0.026 0.000 1.125 380 T CB -0.589 68.282 68.868 0.004 0.000 0.874 380 T HN 0.215 nan 8.240 nan 0.000 0.494 381 c N -0.197 118.436 118.600 0.056 0.000 2.674 381 c HA 0.394 4.964 4.570 0.001 0.000 0.276 381 c C 2.082 176.260 174.090 0.146 0.000 1.300 381 c CA -0.565 55.803 56.329 0.066 0.000 1.732 381 c CB -1.827 40.708 42.510 0.041 0.000 2.076 381 c HN 0.523 nan 8.230 nan 0.000 0.548 382 F N 1.994 121.951 119.950 0.013 0.000 2.325 382 F HA 0.086 4.613 4.527 0.001 0.000 0.299 382 F C 2.123 177.934 175.800 0.018 0.000 1.090 382 F CA 1.620 59.639 58.000 0.032 0.000 1.392 382 F CB -0.492 38.534 39.000 0.042 0.000 1.053 382 F HN 0.176 nan 8.300 nan 0.000 0.521 383 Q N 0.038 119.784 119.800 -0.090 0.000 2.062 383 Q HA -0.092 4.248 4.340 0.001 0.000 0.196 383 Q C 2.265 178.185 176.000 -0.132 0.000 0.967 383 Q CA 1.193 56.880 55.803 -0.193 0.000 0.832 383 Q CB -0.568 28.115 28.738 -0.091 0.000 0.899 383 Q HN 0.300 nan 8.270 nan 0.000 0.442 384 Q N -0.423 119.343 119.800 -0.057 0.000 2.197 384 Q HA -0.139 4.202 4.340 0.001 0.000 0.207 384 Q C 1.744 177.719 176.000 -0.042 0.000 0.984 384 Q CA 1.627 57.408 55.803 -0.038 0.000 0.869 384 Q CB -0.186 28.544 28.738 -0.014 0.000 0.906 384 Q HN 0.402 nan 8.270 nan 0.000 0.426 385 A N -0.731 122.062 122.820 -0.045 0.000 1.943 385 A HA -0.062 4.259 4.320 0.001 0.000 0.213 385 A C 2.150 179.669 177.584 -0.109 0.000 1.181 385 A CA 0.537 52.553 52.037 -0.034 0.000 0.653 385 A CB -0.369 18.656 19.000 0.041 0.000 0.833 385 A HN 0.419 nan 8.150 nan 0.000 0.451 386 c N 0.026 118.495 118.600 -0.218 0.000 2.525 386 c HA 0.122 4.692 4.570 0.001 0.000 0.279 386 c C 2.343 176.325 174.090 -0.179 0.000 1.437 386 c CA 0.596 56.760 56.329 -0.276 0.000 1.704 386 c CB -1.687 40.521 42.510 -0.502 0.000 1.672 386 c HN 0.630 nan 8.230 nan 0.000 0.582 387 K N 1.214 121.540 120.400 -0.124 0.000 1.973 387 K HA -0.046 4.274 4.320 0.001 0.000 0.212 387 K C 1.866 178.427 176.600 -0.066 0.000 1.047 387 K CA 2.230 58.468 56.287 -0.080 0.000 0.937 387 K CB -0.289 32.181 32.500 -0.052 0.000 0.721 387 K HN 0.431 nan 8.250 nan 0.000 0.440 388 G N -1.681 107.086 108.800 -0.056 0.000 2.414 388 G HA2 0.011 3.972 3.960 0.001 0.000 0.198 388 G HA3 0.011 3.972 3.960 0.001 0.000 0.198 388 G C 0.697 175.570 174.900 -0.044 0.000 1.399 388 G CA -0.300 44.777 45.100 -0.038 0.000 0.618 388 G HN -0.040 nan 8.290 nan 0.000 1.054 389 K N 1.350 121.723 120.400 -0.044 0.000 1.975 389 K HA -0.130 4.190 4.320 0.001 0.000 0.230 389 K C 2.151 178.637 176.600 -0.190 0.000 1.044 389 K CA 1.926 58.188 56.287 -0.041 0.000 1.022 389 K CB -0.916 31.574 32.500 -0.017 0.000 0.739 389 K HN 0.571 nan 8.250 nan 0.000 0.446 390 I N -0.729 119.659 120.570 -0.304 0.000 3.861 390 I HA 0.116 4.286 4.170 0.001 0.000 0.329 390 I C 2.052 177.912 176.117 -0.429 0.000 1.321 390 I CA 0.089 61.005 61.300 -0.640 0.000 1.126 390 I CB 0.039 37.797 38.000 -0.404 0.000 1.018 390 I HN 0.166 nan 8.210 nan 0.000 0.407 391 Q N 2.304 121.949 119.800 -0.258 0.000 2.173 391 Q HA -0.272 4.068 4.340 0.001 0.000 0.208 391 Q C 2.308 178.230 176.000 -0.130 0.000 0.989 391 Q CA 2.456 58.159 55.803 -0.167 0.000 0.872 391 Q CB -0.001 28.673 28.738 -0.107 0.000 0.909 391 Q HN 0.759 nan 8.270 nan 0.000 0.420 392 A N 0.505 123.239 122.820 -0.143 0.000 1.892 392 A HA -0.220 4.101 4.320 0.001 0.000 0.218 392 A C 1.907 179.498 177.584 0.012 0.000 1.188 392 A CA 1.590 53.623 52.037 -0.008 0.000 0.631 392 A CB -0.649 18.462 19.000 0.186 0.000 0.822 392 A HN 0.453 nan 8.150 nan 0.000 0.447 393 L N -0.852 120.328 121.223 -0.071 0.000 2.209 393 L HA 0.004 4.345 4.340 0.001 0.000 0.207 393 L C 2.456 179.356 176.870 0.051 0.000 1.094 393 L CA 1.190 56.053 54.840 0.037 0.000 0.790 393 L CB -0.720 41.374 42.059 0.059 0.000 0.932 393 L HN 0.514 nan 8.230 nan 0.000 0.447 394 c N 0.254 118.851 118.600 -0.005 0.000 2.386 394 c HA -0.188 4.382 4.570 0.001 0.000 0.279 394 c C 1.297 175.420 174.090 0.055 0.000 1.208 394 c CA 0.718 57.068 56.329 0.035 0.000 1.747 394 c CB -1.345 41.092 42.510 -0.122 0.000 2.046 394 c HN 0.569 nan 8.230 nan 0.000 0.453 395 E N 2.007 122.214 120.200 0.012 0.000 2.360 395 E HA 0.173 4.524 4.350 0.001 0.000 0.269 395 E C -0.512 176.118 176.600 0.049 0.000 1.022 395 E CA -0.155 56.261 56.400 0.028 0.000 0.887 395 E CB 0.014 29.720 29.700 0.008 0.000 0.990 395 E HN 0.515 nan 8.360 nan 0.000 0.426 396 N N 1.759 120.493 118.700 0.057 0.000 2.663 396 N HA -0.092 4.648 4.740 0.001 0.000 0.263 396 N C -2.410 173.149 175.510 0.081 0.000 1.109 396 N CA 0.546 53.633 53.050 0.062 0.000 0.701 396 N CB -1.250 37.269 38.487 0.053 0.000 0.879 396 N HN 0.575 nan 8.380 nan 0.000 0.550 397 P HA 0.221 nan 4.420 nan 0.000 0.276 397 P C 0.368 177.740 177.300 0.121 0.000 1.252 397 P CA 0.044 63.220 63.100 0.127 0.000 0.802 397 P CB 1.210 32.994 31.700 0.141 0.000 1.035 398 E N -0.842 119.451 120.200 0.155 0.000 2.453 398 E HA 0.051 4.402 4.350 0.001 0.000 0.211 398 E C -0.155 176.573 176.600 0.213 0.000 0.897 398 E CA 0.226 56.714 56.400 0.146 0.000 1.063 398 E CB 0.117 29.889 29.700 0.119 0.000 1.080 398 E HN 0.470 nan 8.360 nan 0.000 0.512 399 W N 2.180 123.479 121.300 -0.001 0.000 2.338 399 W HA 0.472 5.132 4.660 0.001 0.000 0.307 399 W C 1.309 177.767 176.519 -0.102 0.000 1.167 399 W CA -0.575 56.738 57.345 -0.054 0.000 1.208 399 W CB 0.905 30.332 29.460 -0.054 0.000 1.228 399 W HN 0.027 nan 8.180 nan 0.000 0.499 400 A N 8.287 131.001 122.820 -0.177 0.000 1.882 400 A HA -0.257 4.063 4.320 0.001 0.000 0.220 400 A C -0.217 177.078 177.584 -0.481 0.000 1.253 400 A CA 2.595 54.442 52.037 -0.316 0.000 0.664 400 A CB -2.114 16.703 19.000 -0.306 0.000 0.838 400 A HN 0.601 nan 8.150 nan 0.000 0.460 401 P HA -0.176 nan 4.420 nan 0.000 0.215 401 P C 1.619 178.672 177.300 -0.412 0.000 1.157 401 P CA 1.493 64.125 63.100 -0.781 0.000 0.874 401 P CB -0.270 30.625 31.700 -1.342 0.000 0.790 402 L N -0.490 120.532 121.223 -0.337 0.000 2.141 402 L HA -0.063 4.277 4.340 0.001 0.000 0.209 402 L C 2.408 179.257 176.870 -0.036 0.000 1.094 402 L CA 1.335 56.110 54.840 -0.109 0.000 0.763 402 L CB -0.843 41.259 42.059 0.071 0.000 0.908 402 L HN -0.080 nan 8.230 nan 0.000 0.437 403 K N 0.125 120.497 120.400 -0.046 0.000 2.633 403 K HA -0.107 4.213 4.320 0.001 0.000 0.193 403 K C -0.136 176.457 176.600 -0.012 0.000 1.033 403 K CA 0.538 56.822 56.287 -0.005 0.000 0.980 403 K CB -0.073 32.424 32.500 -0.006 0.000 0.800 403 K HN 0.332 nan 8.250 nan 0.000 0.493 404 D N 0.119 120.499 120.400 -0.034 0.000 2.651 404 D HA 0.034 4.675 4.640 0.001 0.000 0.280 404 D C -0.787 175.508 176.300 -0.008 0.000 1.496 404 D CA -0.135 53.855 54.000 -0.016 0.000 0.792 404 D CB 0.387 41.172 40.800 -0.025 0.000 1.144 404 D HN 0.022 nan 8.370 nan 0.000 0.470 405 N N 2.166 120.868 118.700 0.002 0.000 2.727 405 N HA -0.166 4.574 4.740 0.001 0.000 0.251 405 N C -0.626 174.857 175.510 -0.045 0.000 1.040 405 N CA 0.721 53.781 53.050 0.017 0.000 0.712 405 N CB -0.474 38.046 38.487 0.055 0.000 0.912 405 N HN 0.257 nan 8.380 nan 0.000 0.545 406 R N 0.412 120.840 120.500 -0.120 0.000 2.740 406 R HA 0.540 4.880 4.340 0.001 0.000 0.282 406 R C 0.753 176.921 176.300 -0.220 0.000 0.969 406 R CA -0.670 55.357 56.100 -0.122 0.000 0.918 406 R CB 1.072 31.309 30.300 -0.105 0.000 1.175 406 R HN 0.176 nan 8.270 nan 0.000 0.464 407 I N 3.379 123.877 120.570 -0.121 0.000 2.661 407 I HA 0.211 4.382 4.170 0.001 0.000 0.292 407 I C -2.014 174.149 176.117 0.077 0.000 1.189 407 I CA -1.842 59.399 61.300 -0.099 0.000 1.123 407 I CB 0.650 38.645 38.000 -0.009 0.000 1.709 407 I HN 0.103 nan 8.210 nan 0.000 0.566 408 P HA -0.149 nan 4.420 nan 0.000 0.265 408 P C -0.140 177.207 177.300 0.077 0.000 1.151 408 P CA 0.824 63.941 63.100 0.027 0.000 0.755 408 P CB 0.375 32.097 31.700 0.037 0.000 0.756 409 S N 2.140 117.815 115.700 -0.042 0.000 2.677 409 S HA 0.534 5.004 4.470 0.001 0.000 0.304 409 S C -1.084 173.490 174.600 -0.045 0.000 1.108 409 S CA -0.825 57.310 58.200 -0.107 0.000 0.944 409 S CB 0.703 63.487 63.200 -0.693 0.000 1.127 409 S HN 0.181 nan 8.310 nan 0.000 0.511 410 Y N 1.008 121.349 120.300 0.069 0.000 2.531 410 Y HA 0.498 5.048 4.550 0.001 0.000 0.347 410 Y C 1.161 177.188 175.900 0.211 0.000 1.024 410 Y CA 0.355 58.578 58.100 0.205 0.000 1.306 410 Y CB 0.194 38.828 38.460 0.289 0.000 1.149 410 Y HN 0.940 nan 8.280 nan 0.000 0.527 411 G N 2.220 111.130 108.800 0.183 0.000 2.379 411 G HA2 0.536 4.497 3.960 0.001 0.000 0.327 411 G HA3 0.536 4.497 3.960 0.001 0.000 0.327 411 G C -1.441 173.554 174.900 0.159 0.000 1.145 411 G CA -0.628 44.520 45.100 0.080 0.000 0.905 411 G HN 0.426 nan 8.290 nan 0.000 0.466 412 V N 3.732 123.715 119.914 0.114 0.000 2.357 412 V HA 0.223 4.344 4.120 0.001 0.000 0.281 412 V C -0.550 175.605 176.094 0.102 0.000 1.015 412 V CA -0.687 61.724 62.300 0.184 0.000 0.827 412 V CB 0.996 33.024 31.823 0.342 0.000 1.018 412 V HN 0.526 nan 8.190 nan 0.000 0.432 413 L N 4.062 125.356 121.223 0.120 0.000 2.331 413 L HA 0.533 4.874 4.340 0.001 0.000 0.278 413 L C 0.526 177.492 176.870 0.160 0.000 1.106 413 L CA 0.811 55.718 54.840 0.111 0.000 0.824 413 L CB 1.343 43.443 42.059 0.068 0.000 1.142 413 L HN 0.617 nan 8.230 nan 0.000 0.443 414 S N 1.826 117.577 115.700 0.085 0.000 2.614 414 S HA 0.710 5.181 4.470 0.001 0.000 0.288 414 S C -0.824 173.784 174.600 0.014 0.000 1.137 414 S CA -0.757 57.454 58.200 0.019 0.000 0.992 414 S CB 1.924 65.101 63.200 -0.038 0.000 1.026 414 S HN 0.412 nan 8.310 nan 0.000 0.486 415 V N 0.168 120.085 119.914 0.005 0.000 2.540 415 V HA 0.656 4.777 4.120 0.001 0.000 0.302 415 V C -0.721 175.345 176.094 -0.047 0.000 1.035 415 V CA -0.922 61.381 62.300 0.004 0.000 0.873 415 V CB 1.772 33.636 31.823 0.068 0.000 0.992 415 V HN 0.728 nan 8.190 nan 0.000 0.428 416 D N 3.529 123.900 120.400 -0.049 0.000 2.338 416 D HA 0.248 4.889 4.640 0.001 0.000 0.255 416 D C 0.813 177.082 176.300 -0.052 0.000 1.237 416 D CA 0.057 54.020 54.000 -0.062 0.000 0.883 416 D CB 1.208 41.975 40.800 -0.055 0.000 1.087 416 D HN 0.665 nan 8.370 nan 0.000 0.485 417 L N 2.861 124.047 121.223 -0.061 0.000 2.554 417 L HA -0.016 4.324 4.340 0.001 0.000 0.226 417 L C 1.970 178.813 176.870 -0.046 0.000 1.137 417 L CA 0.150 54.960 54.840 -0.051 0.000 0.863 417 L CB -0.115 41.907 42.059 -0.062 0.000 0.985 417 L HN 0.343 nan 8.230 nan 0.000 0.451 418 S N -0.264 115.407 115.700 -0.048 0.000 2.607 418 S HA 0.010 4.480 4.470 0.001 0.000 0.224 418 S C 1.553 176.133 174.600 -0.034 0.000 0.969 418 S CA -0.036 58.140 58.200 -0.041 0.000 0.927 418 S CB -0.215 62.959 63.200 -0.043 0.000 0.772 418 S HN 0.336 nan 8.310 nan 0.000 0.533 419 L N -0.394 120.809 121.223 -0.034 0.000 3.876 419 L HA -0.508 3.833 4.340 0.001 0.000 0.053 419 L C 1.960 178.815 176.870 -0.025 0.000 3.951 419 L CA 2.187 57.010 54.840 -0.028 0.000 1.114 419 L CB -3.115 38.929 42.059 -0.024 0.000 3.271 419 L HN 0.625 nan 8.230 nan 0.000 0.765 420 T N -2.888 111.653 114.554 -0.022 0.000 13.374 420 T HA -0.445 3.906 4.350 0.001 0.000 0.418 420 T C 1.226 175.916 174.700 -0.017 0.000 1.442 420 T CA 3.734 65.822 62.100 -0.019 0.000 2.353 420 T CB -2.014 66.841 68.868 -0.021 0.000 2.797 420 T HN 1.481 nan 8.240 nan 0.000 0.579 421 V N 0.152 120.055 119.914 -0.018 0.000 2.240 421 V HA -0.084 4.037 4.120 0.001 0.000 0.257 421 V C 1.104 177.190 176.094 -0.013 0.000 1.067 421 V CA 2.702 64.993 62.300 -0.016 0.000 1.067 421 V CB -1.155 30.656 31.823 -0.020 0.000 0.683 421 V HN 1.429 nan 8.190 nan 0.000 0.461 422 E N -0.294 119.896 120.200 -0.016 0.000 3.448 422 E HA 0.095 4.445 4.350 0.001 0.000 0.323 422 E C -0.834 175.752 176.600 -0.023 0.000 1.133 422 E CA -0.272 56.121 56.400 -0.013 0.000 0.622 422 E CB -0.554 29.142 29.700 -0.007 0.000 1.163 422 E HN 0.615 nan 8.360 nan 0.000 0.510 423 L N 4.568 125.774 121.223 -0.028 0.000 2.653 423 L HA -0.003 4.338 4.340 0.001 0.000 0.288 423 L C 0.612 177.443 176.870 -0.065 0.000 1.243 423 L CA 1.193 56.007 54.840 -0.044 0.000 0.906 423 L CB -0.088 41.941 42.059 -0.049 0.000 1.154 423 L HN 0.442 nan 8.230 nan 0.000 0.498 424 K N 3.693 124.056 120.400 -0.061 0.000 2.571 424 K HA 0.478 4.799 4.320 0.001 0.000 0.252 424 K C -1.163 175.411 176.600 -0.043 0.000 0.956 424 K CA -0.767 55.479 56.287 -0.069 0.000 0.822 424 K CB 1.460 33.929 32.500 -0.052 0.000 1.286 424 K HN 0.327 nan 8.250 nan 0.000 0.439 425 I N 3.455 124.005 120.570 -0.033 0.000 2.347 425 I HA 0.093 4.263 4.170 0.001 0.000 0.294 425 I C -0.055 176.071 176.117 0.014 0.000 1.090 425 I CA -0.341 60.969 61.300 0.016 0.000 1.314 425 I CB 0.333 38.380 38.000 0.079 0.000 1.423 425 I HN 0.419 nan 8.210 nan 0.000 0.503 426 K N 7.146 127.548 120.400 0.003 0.000 2.276 426 K HA 0.499 4.820 4.320 0.001 0.000 0.283 426 K C -0.473 176.126 176.600 -0.002 0.000 1.044 426 K CA -0.339 55.943 56.287 -0.007 0.000 0.944 426 K CB 1.854 34.342 32.500 -0.019 0.000 1.012 426 K HN 0.551 nan 8.250 nan 0.000 0.472 427 I N 1.409 121.969 120.570 -0.016 0.000 2.465 427 I HA 0.484 4.654 4.170 0.001 0.000 0.291 427 I C -1.449 174.615 176.117 -0.088 0.000 1.014 427 I CA -0.508 60.772 61.300 -0.034 0.000 1.093 427 I CB 1.420 39.405 38.000 -0.025 0.000 1.267 427 I HN 0.701 nan 8.210 nan 0.000 0.431 428 A N 5.660 128.391 122.820 -0.148 0.000 2.374 428 A HA 0.786 5.106 4.320 0.001 0.000 0.305 428 A C -0.598 176.606 177.584 -0.634 0.000 1.053 428 A CA -0.317 51.535 52.037 -0.309 0.000 0.726 428 A CB 1.577 20.432 19.000 -0.242 0.000 1.229 428 A HN 0.787 nan 8.150 nan 0.000 0.431 429 S N 1.143 116.420 115.700 -0.706 0.000 2.823 429 S HA 1.013 5.484 4.470 0.001 0.000 0.316 429 S C 0.140 174.226 174.600 -0.857 0.000 1.116 429 S CA -0.294 57.446 58.200 -0.766 0.000 0.911 429 S CB 1.675 64.681 63.200 -0.323 0.000 1.276 429 S HN 2.408 nan 8.310 nan 0.000 0.565 430 G N -0.877 107.825 108.800 -0.164 0.000 2.328 430 G HA2 0.478 4.439 3.960 0.001 0.000 0.295 430 G HA3 0.478 4.439 3.960 0.001 0.000 0.295 430 G C -1.813 173.168 174.900 0.136 0.000 1.413 430 G CA -0.948 44.301 45.100 0.248 0.000 0.817 430 G HN 0.520 nan 8.290 nan 0.000 0.546 431 F N -0.129 120.027 119.950 0.344 0.000 2.461 431 F HA 0.906 5.433 4.527 0.001 0.000 0.332 431 F C 1.119 177.042 175.800 0.205 0.000 1.073 431 F CA 0.664 58.839 58.000 0.291 0.000 1.017 431 F CB 2.169 41.288 39.000 0.199 0.000 1.301 431 F HN 1.068 nan 8.300 nan 0.000 0.492 432 G N -0.382 108.672 108.800 0.424 0.000 2.317 432 G HA2 0.349 4.309 3.960 0.001 0.000 0.293 432 G HA3 0.349 4.309 3.960 0.001 0.000 0.293 432 G C -3.224 171.855 174.900 0.297 0.000 1.287 432 G CA -1.065 44.157 45.100 0.203 0.000 0.850 432 G HN 0.331 nan 8.290 nan 0.000 0.515 433 P HA 0.008 nan 4.420 nan 0.000 0.267 433 P C 0.290 177.856 177.300 0.442 0.000 1.145 433 P CA 0.348 63.647 63.100 0.331 0.000 0.753 433 P CB 0.222 32.076 31.700 0.257 0.000 0.748 434 L N 4.432 125.875 121.223 0.367 0.000 2.534 434 L HA 0.058 4.399 4.340 0.001 0.000 0.271 434 L C 0.810 177.890 176.870 0.350 0.000 1.178 434 L CA 0.109 55.162 54.840 0.354 0.000 0.907 434 L CB -0.224 42.022 42.059 0.312 0.000 1.164 434 L HN 0.318 nan 8.230 nan 0.000 0.482 435 I N 3.405 124.170 120.570 0.324 0.000 2.363 435 I HA -0.017 4.153 4.170 0.001 0.000 0.292 435 I C 1.328 177.647 176.117 0.336 0.000 1.075 435 I CA 0.149 61.603 61.300 0.257 0.000 1.333 435 I CB 1.302 39.395 38.000 0.155 0.000 1.415 435 I HN 0.646 nan 8.210 nan 0.000 0.502 436 T N 4.070 118.814 114.554 0.316 0.000 3.040 436 T HA -0.031 4.319 4.350 0.001 0.000 0.252 436 T C 1.430 176.228 174.700 0.163 0.000 1.064 436 T CA 0.840 63.134 62.100 0.324 0.000 1.110 436 T CB 0.080 69.115 68.868 0.278 0.000 0.921 436 T HN 0.733 nan 8.240 nan 0.000 0.480 437 H N -1.569 117.230 119.070 -0.452 0.000 2.926 437 H HA 0.395 4.952 4.556 0.001 0.000 0.249 437 H C 2.047 176.408 175.328 -1.612 0.000 0.963 437 H CA 0.819 56.378 56.048 -0.815 0.000 1.158 437 H CB -0.487 29.050 29.762 -0.375 0.000 1.445 437 H HN 0.438 nan 8.280 nan 0.000 0.452 438 G N 1.381 109.261 108.800 -1.534 0.000 2.322 438 G HA2 -0.440 3.520 3.960 0.001 0.000 0.264 438 G HA3 -0.440 3.520 3.960 0.001 0.000 0.264 438 G C 1.402 175.983 174.900 -0.531 0.000 0.992 438 G CA 1.553 46.038 45.100 -1.025 0.000 0.624 438 G HN 0.894 nan 8.290 nan 0.000 0.543 439 S N 0.195 115.577 115.700 -0.530 0.000 2.723 439 S HA 0.396 4.866 4.470 0.001 0.000 0.255 439 S C 1.195 175.664 174.600 -0.219 0.000 0.981 439 S CA 1.188 59.230 58.200 -0.262 0.000 0.986 439 S CB -0.509 62.601 63.200 -0.150 0.000 0.770 439 S HN 2.305 nan 8.310 nan 0.000 0.546 440 G N -0.539 108.104 108.800 -0.262 0.000 2.328 440 G HA2 0.475 4.436 3.960 0.001 0.000 0.299 440 G HA3 0.475 4.436 3.960 0.001 0.000 0.299 440 G C -1.432 173.384 174.900 -0.139 0.000 1.435 440 G CA -0.601 44.357 45.100 -0.237 0.000 0.865 440 G HN 0.587 nan 8.290 nan 0.000 0.601 441 M N 1.450 121.027 119.600 -0.039 0.000 2.691 441 M HA 0.215 4.695 4.480 0.001 0.000 0.126 441 M C -2.303 174.151 176.300 0.257 0.000 0.875 441 M CA -0.539 54.859 55.300 0.163 0.000 0.658 441 M CB 0.666 33.413 32.600 0.245 0.000 2.900 441 M HN 0.572 nan 8.290 nan 0.000 0.314 442 D N 3.819 124.367 120.400 0.247 0.000 2.340 442 D HA 0.780 5.420 4.640 0.001 0.000 0.243 442 D C -0.780 175.664 176.300 0.239 0.000 0.988 442 D CA -0.228 53.913 54.000 0.235 0.000 0.959 442 D CB 2.032 42.997 40.800 0.275 0.000 1.226 442 D HN 0.532 nan 8.370 nan 0.000 0.509 443 L N 0.850 122.097 121.223 0.040 0.000 2.386 443 L HA 0.457 4.798 4.340 0.001 0.000 0.271 443 L C -1.256 175.443 176.870 -0.285 0.000 0.993 443 L CA -0.839 54.019 54.840 0.030 0.000 0.819 443 L CB 1.366 43.419 42.059 -0.011 0.000 1.294 443 L HN 0.290 nan 8.230 nan 0.000 0.414 444 Y N 1.206 121.508 120.300 0.004 0.000 2.462 444 Y HA 0.377 4.928 4.550 0.001 0.000 0.346 444 Y C -0.023 175.816 175.900 -0.103 0.000 0.976 444 Y CA -0.946 57.144 58.100 -0.017 0.000 1.044 444 Y CB 2.172 40.720 38.460 0.146 0.000 1.230 444 Y HN 0.380 nan 8.280 nan 0.000 0.455 445 K N 1.113 121.454 120.400 -0.097 0.000 2.319 445 K HA 0.294 4.614 4.320 0.001 0.000 0.265 445 K C 0.038 176.723 176.600 0.141 0.000 1.000 445 K CA -0.070 56.178 56.287 -0.065 0.000 0.943 445 K CB 0.998 33.491 32.500 -0.012 0.000 0.950 445 K HN 0.609 nan 8.250 nan 0.000 0.485 446 S N 0.268 115.975 115.700 0.013 0.000 2.786 446 S HA 0.232 4.703 4.470 0.001 0.000 0.307 446 S C 0.609 175.132 174.600 -0.128 0.000 1.121 446 S CA -0.819 57.257 58.200 -0.207 0.000 0.975 446 S CB 0.822 63.490 63.200 -0.887 0.000 1.220 446 S HN 0.577 nan 8.310 nan 0.000 0.550 447 N N 0.665 119.206 118.700 -0.266 0.000 2.463 447 N HA 0.021 4.762 4.740 0.001 0.000 0.181 447 N C -0.519 174.846 175.510 -0.242 0.000 1.078 447 N CA 0.528 53.443 53.050 -0.225 0.000 0.902 447 N CB -0.195 38.167 38.487 -0.207 0.000 0.970 447 N HN 0.544 nan 8.380 nan 0.000 0.451 448 H N 0.858 119.864 119.070 -0.107 0.000 2.741 448 H HA 0.134 4.691 4.556 0.001 0.000 0.282 448 H C 0.634 175.898 175.328 -0.106 0.000 1.122 448 H CA -0.332 55.641 56.048 -0.124 0.000 1.293 448 H CB -0.137 29.504 29.762 -0.203 0.000 1.415 448 H HN 0.176 nan 8.280 nan 0.000 0.472 449 N N 2.495 121.222 118.700 0.046 0.000 2.567 449 N HA -0.232 4.509 4.740 0.001 0.000 0.198 449 N C -0.019 175.549 175.510 0.097 0.000 1.054 449 N CA 0.928 54.021 53.050 0.071 0.000 0.924 449 N CB 0.164 38.691 38.487 0.067 0.000 0.945 449 N HN 0.477 nan 8.380 nan 0.000 0.452 450 N N -1.002 117.647 118.700 -0.085 0.000 2.160 450 N HA 0.144 4.885 4.740 0.001 0.000 0.226 450 N C -1.274 173.745 175.510 -0.818 0.000 1.256 450 N CA -0.159 52.603 53.050 -0.480 0.000 0.890 450 N CB 1.803 39.916 38.487 -0.623 0.000 1.116 450 N HN -0.091 nan 8.380 nan 0.000 0.517 451 V N 0.442 120.138 119.914 -0.362 0.000 2.709 451 V HA 0.473 4.593 4.120 0.001 0.000 0.308 451 V C -1.556 174.458 176.094 -0.133 0.000 1.062 451 V CA -0.646 61.431 62.300 -0.372 0.000 0.901 451 V CB 1.513 33.112 31.823 -0.373 0.000 1.003 451 V HN 0.117 nan 8.190 nan 0.000 0.425 452 Y N 3.694 123.875 120.300 -0.198 0.000 2.496 452 Y HA 0.447 4.998 4.550 0.001 0.000 0.331 452 Y C -0.224 175.533 175.900 -0.237 0.000 1.140 452 Y CA -1.033 56.981 58.100 -0.143 0.000 1.166 452 Y CB 1.932 40.435 38.460 0.070 0.000 1.249 452 Y HN 0.626 nan 8.280 nan 0.000 0.479 453 W N 2.411 123.808 121.300 0.161 0.000 2.253 453 W HA 0.566 5.226 4.660 0.001 0.000 0.348 453 W C -0.804 175.797 176.519 0.137 0.000 1.229 453 W CA -0.593 56.784 57.345 0.054 0.000 1.335 453 W CB 0.797 30.261 29.460 0.006 0.000 1.165 453 W HN 0.148 nan 8.180 nan 0.000 0.631 454 L N 2.950 124.411 121.223 0.396 0.000 2.529 454 L HA 0.317 4.657 4.340 0.001 0.000 0.260 454 L C 0.024 177.082 176.870 0.315 0.000 0.997 454 L CA -0.315 54.730 54.840 0.341 0.000 0.885 454 L CB 0.708 42.945 42.059 0.297 0.000 1.185 454 L HN 0.514 nan 8.230 nan 0.000 0.442 455 T N 2.241 116.984 114.554 0.316 0.000 2.902 455 T HA 0.710 5.061 4.350 0.001 0.000 0.280 455 T C -0.243 174.599 174.700 0.237 0.000 0.992 455 T CA -0.488 61.762 62.100 0.250 0.000 1.015 455 T CB 1.580 70.575 68.868 0.211 0.000 1.044 455 T HN 0.433 nan 8.240 nan 0.000 0.520 456 I N 2.740 123.436 120.570 0.209 0.000 2.571 456 I HA 0.355 4.526 4.170 0.001 0.000 0.289 456 I C -2.381 173.835 176.117 0.165 0.000 1.115 456 I CA -2.741 58.644 61.300 0.142 0.000 1.045 456 I CB 2.965 41.041 38.000 0.128 0.000 1.238 456 I HN 0.580 nan 8.210 nan 0.000 0.424 457 P HA 0.143 nan 4.420 nan 0.000 0.268 457 P C -2.711 174.713 177.300 0.208 0.000 1.208 457 P CA -1.138 62.033 63.100 0.118 0.000 0.777 457 P CB -0.256 31.476 31.700 0.054 0.000 0.875 458 P HA 0.155 nan 4.420 nan 0.000 0.275 458 P C 0.202 177.505 177.300 0.005 0.000 1.227 458 P CA -0.117 63.016 63.100 0.056 0.000 0.781 458 P CB 0.124 31.788 31.700 -0.060 0.000 0.906 459 M N 4.589 124.083 119.600 -0.177 0.000 3.442 459 M HA 0.088 4.569 4.480 0.001 0.000 0.232 459 M C 0.318 176.518 176.300 -0.167 0.000 1.508 459 M CA 0.153 55.301 55.300 -0.253 0.000 1.647 459 M CB -2.246 29.988 32.600 -0.609 0.000 1.126 459 M HN 0.328 nan 8.290 nan 0.000 0.557 460 K N 0.734 121.071 120.400 -0.106 0.000 2.409 460 K HA -0.341 3.980 4.320 0.001 0.000 0.157 460 K C 0.734 177.244 176.600 -0.150 0.000 0.912 460 K CA 2.196 58.418 56.287 -0.108 0.000 0.367 460 K CB -1.302 31.142 32.500 -0.092 0.000 0.739 460 K HN 0.784 nan 8.250 nan 0.000 0.746 461 N N 0.987 119.590 118.700 -0.162 0.000 2.445 461 N HA 0.066 4.806 4.740 0.001 0.000 0.204 461 N C 1.891 177.250 175.510 -0.252 0.000 1.098 461 N CA 0.691 53.626 53.050 -0.192 0.000 0.859 461 N CB 0.182 38.574 38.487 -0.158 0.000 1.249 461 N HN 0.299 nan 8.380 nan 0.000 0.462 462 L N 0.869 121.932 121.223 -0.266 0.000 2.129 462 L HA 0.001 4.341 4.340 0.001 0.000 0.212 462 L C 1.349 177.852 176.870 -0.611 0.000 1.087 462 L CA 1.253 55.841 54.840 -0.421 0.000 0.757 462 L CB -0.531 41.370 42.059 -0.263 0.000 0.896 462 L HN 0.247 nan 8.230 nan 0.000 0.434 463 A N -1.200 121.401 122.820 -0.365 0.000 2.530 463 A HA 0.698 5.018 4.320 0.001 0.000 0.288 463 A C -1.161 176.309 177.584 -0.190 0.000 1.172 463 A CA -0.519 51.360 52.037 -0.264 0.000 0.733 463 A CB 1.489 20.360 19.000 -0.215 0.000 1.320 463 A HN -0.061 nan 8.150 nan 0.000 0.419 464 L N -0.383 120.783 121.223 -0.095 0.000 2.347 464 L HA 0.760 5.100 4.340 0.001 0.000 0.268 464 L C 1.244 178.148 176.870 0.058 0.000 1.019 464 L CA 0.424 55.218 54.840 -0.077 0.000 0.806 464 L CB 1.355 43.360 42.059 -0.089 0.000 1.339 464 L HN 0.976 nan 8.230 nan 0.000 0.463 465 G N -0.529 108.327 108.800 0.093 0.000 2.570 465 G HA2 0.516 4.477 3.960 0.001 0.000 0.276 465 G HA3 0.516 4.477 3.960 0.001 0.000 0.276 465 G C -1.332 173.905 174.900 0.561 0.000 1.346 465 G CA -0.184 45.102 45.100 0.310 0.000 1.034 465 G HN 0.535 nan 8.290 nan 0.000 0.512 466 V N -0.465 119.753 119.914 0.508 0.000 3.077 466 V HA 0.504 4.625 4.120 0.001 0.000 0.299 466 V C -0.738 175.470 176.094 0.191 0.000 1.276 466 V CA -0.514 61.998 62.300 0.353 0.000 0.993 466 V CB 2.025 34.036 31.823 0.313 0.000 1.076 466 V HN 0.654 nan 8.190 nan 0.000 0.434 467 I N 2.825 123.407 120.570 0.020 0.000 2.610 467 I HA 0.475 4.646 4.170 0.001 0.000 0.289 467 I C -0.466 175.708 176.117 0.095 0.000 1.163 467 I CA -0.214 61.093 61.300 0.012 0.000 1.044 467 I CB 2.278 40.157 38.000 -0.203 0.000 1.251 467 I HN 0.780 nan 8.210 nan 0.000 0.424 468 N N 2.436 121.232 118.700 0.159 0.000 3.294 468 N HA 0.710 5.451 4.740 0.001 0.000 0.355 468 N C -1.114 174.467 175.510 0.117 0.000 1.497 468 N CA -0.732 52.388 53.050 0.116 0.000 0.707 468 N CB 2.187 40.684 38.487 0.017 0.000 1.732 468 N HN 0.581 nan 8.380 nan 0.000 0.640 469 T N -0.945 113.600 114.554 -0.016 0.000 2.993 469 T HA 0.519 4.870 4.350 0.001 0.000 0.312 469 T C -1.534 173.071 174.700 -0.159 0.000 1.115 469 T CA -0.665 61.368 62.100 -0.111 0.000 1.027 469 T CB 1.342 70.080 68.868 -0.217 0.000 1.116 469 T HN 0.203 nan 8.240 nan 0.000 0.464 470 L N 1.941 123.086 121.223 -0.131 0.000 2.307 470 L HA 0.740 5.080 4.340 0.001 0.000 0.284 470 L C -0.616 176.069 176.870 -0.308 0.000 1.023 470 L CA -0.255 54.489 54.840 -0.159 0.000 0.810 470 L CB 1.324 43.421 42.059 0.065 0.000 1.231 470 L HN 0.909 nan 8.230 nan 0.000 0.423 471 E N 4.424 124.372 120.200 -0.421 0.000 2.314 471 E HA 0.330 4.680 4.350 0.001 0.000 0.272 471 E C -0.686 175.596 176.600 -0.531 0.000 0.884 471 E CA -0.423 55.561 56.400 -0.695 0.000 0.753 471 E CB 1.484 30.871 29.700 -0.521 0.000 1.213 471 E HN 0.601 nan 8.360 nan 0.000 0.432 472 W N 1.562 122.775 121.300 -0.145 0.000 3.033 472 W HA 0.178 4.838 4.660 0.001 0.000 0.250 472 W C 1.222 177.708 176.519 -0.054 0.000 1.105 472 W CA -0.200 57.102 57.345 -0.072 0.000 1.655 472 W CB -0.657 28.755 29.460 -0.080 0.000 1.001 472 W HN 0.427 nan 8.180 nan 0.000 0.653 473 I N 3.025 123.546 120.570 -0.082 0.000 2.094 473 I HA -0.297 3.874 4.170 0.001 0.000 0.236 473 I C 0.580 176.675 176.117 -0.036 0.000 1.016 473 I CA 2.375 63.657 61.300 -0.030 0.000 1.294 473 I CB -2.741 35.165 38.000 -0.157 0.000 1.006 473 I HN -0.075 nan 8.210 nan 0.000 0.397 474 P HA -0.122 nan 4.420 nan 0.000 0.214 474 P C 0.796 178.091 177.300 -0.007 0.000 1.162 474 P CA 1.336 64.402 63.100 -0.057 0.000 0.879 474 P CB 0.451 32.097 31.700 -0.090 0.000 0.786 475 R N -3.552 116.945 120.500 -0.004 0.000 2.993 475 R HA 0.165 4.505 4.340 0.001 0.000 0.288 475 R C -1.503 174.851 176.300 0.089 0.000 0.982 475 R CA -0.812 55.332 56.100 0.074 0.000 0.832 475 R CB -0.274 30.073 30.300 0.079 0.000 1.340 475 R HN -0.112 nan 8.270 nan 0.000 0.516 476 F N 2.836 122.813 119.950 0.045 0.000 2.484 476 F HA 0.162 4.689 4.527 0.001 0.000 0.355 476 F C -0.330 175.488 175.800 0.030 0.000 1.170 476 F CA 0.722 58.755 58.000 0.056 0.000 1.025 476 F CB 0.026 39.070 39.000 0.073 0.000 1.107 476 F HN 0.231 nan 8.300 nan 0.000 0.589 477 K N 4.471 124.586 120.400 -0.474 0.000 2.345 477 K HA 0.598 4.918 4.320 0.001 0.000 0.255 477 K C -1.635 174.657 176.600 -0.514 0.000 0.934 477 K CA -0.713 55.337 56.287 -0.394 0.000 0.801 477 K CB 1.719 34.083 32.500 -0.226 0.000 1.137 477 K HN 0.251 nan 8.250 nan 0.000 0.424 478 V N 3.646 123.310 119.914 -0.416 0.000 2.266 478 V HA 0.300 4.421 4.120 0.001 0.000 0.266 478 V C -0.727 175.210 176.094 -0.262 0.000 1.036 478 V CA -0.782 61.273 62.300 -0.409 0.000 0.828 478 V CB 0.731 32.208 31.823 -0.577 0.000 1.081 478 V HN 0.789 nan 8.190 nan 0.000 0.449 479 S N 6.435 122.021 115.700 -0.189 0.000 2.545 479 S HA 0.447 4.917 4.470 0.001 0.000 0.275 479 S C -2.047 172.503 174.600 -0.084 0.000 1.299 479 S CA -0.788 57.345 58.200 -0.111 0.000 1.048 479 S CB 1.371 64.516 63.200 -0.092 0.000 0.938 479 S HN 0.530 nan 8.310 nan 0.000 0.496 480 P HA 0.191 nan 4.420 nan 0.000 0.275 480 P C -0.458 176.873 177.300 0.051 0.000 1.266 480 P CA -0.113 62.951 63.100 -0.061 0.000 0.793 480 P CB 0.780 32.365 31.700 -0.191 0.000 1.074 481 Y N -1.107 119.122 120.300 -0.118 0.000 3.299 481 Y HA 0.342 4.893 4.550 0.001 0.000 0.195 481 Y C -0.100 175.689 175.900 -0.185 0.000 0.972 481 Y CA 0.349 58.384 58.100 -0.108 0.000 1.633 481 Y CB 0.335 38.781 38.460 -0.024 0.000 1.465 481 Y HN 0.050 nan 8.280 nan 0.000 0.367 482 L N -0.094 121.007 121.223 -0.204 0.000 2.283 482 L HA 0.295 4.635 4.340 0.001 0.000 0.259 482 L C -0.624 175.985 176.870 -0.435 0.000 1.027 482 L CA -1.247 53.284 54.840 -0.516 0.000 0.828 482 L CB 1.728 43.114 42.059 -1.122 0.000 1.380 482 L HN 0.233 nan 8.230 nan 0.000 0.425 483 F N -0.663 119.332 119.950 0.075 0.000 3.105 483 F HA -0.220 4.307 4.527 0.001 0.000 0.280 483 F C 0.607 176.472 175.800 0.108 0.000 0.894 483 F CA 1.002 59.054 58.000 0.086 0.000 0.992 483 F CB -2.790 36.275 39.000 0.108 0.000 1.047 483 F HN 0.574 nan 8.300 nan 0.000 0.607 484 T N 0.297 114.962 114.554 0.185 0.000 3.141 484 T HA 0.572 4.922 4.350 0.001 0.000 0.377 484 T C -0.342 174.445 174.700 0.145 0.000 1.258 484 T CA -0.151 62.049 62.100 0.167 0.000 1.263 484 T CB -0.075 68.863 68.868 0.118 0.000 1.066 484 T HN 0.538 nan 8.240 nan 0.000 0.546 485 V N 4.222 124.237 119.914 0.168 0.000 2.439 485 V HA 0.534 4.654 4.120 0.001 0.000 0.271 485 V C -2.244 173.969 176.094 0.197 0.000 1.040 485 V CA -1.944 60.449 62.300 0.154 0.000 1.002 485 V CB -0.044 31.856 31.823 0.129 0.000 1.000 485 V HN 0.506 nan 8.190 nan 0.000 0.477 486 P HA 0.196 nan 4.420 nan 0.000 0.276 486 P C -0.507 176.857 177.300 0.106 0.000 1.264 486 P CA 0.093 63.359 63.100 0.277 0.000 0.815 486 P CB 0.313 32.194 31.700 0.301 0.000 1.121 487 I N -1.035 119.549 120.570 0.024 0.000 2.607 487 I HA 0.161 4.332 4.170 0.001 0.000 0.290 487 I C -0.472 175.641 176.117 -0.007 0.000 1.129 487 I CA -1.561 59.747 61.300 0.012 0.000 1.042 487 I CB 1.723 39.727 38.000 0.006 0.000 1.242 487 I HN 0.290 nan 8.210 nan 0.000 0.421 488 K N 5.161 125.564 120.400 0.005 0.000 2.430 488 K HA 0.243 4.563 4.320 0.001 0.000 0.280 488 K C 0.203 176.798 176.600 -0.008 0.000 1.063 488 K CA 0.100 56.388 56.287 0.002 0.000 1.071 488 K CB 0.256 32.761 32.500 0.008 0.000 0.899 488 K HN 0.484 nan 8.250 nan 0.000 0.473 489 E N 2.434 122.627 120.200 -0.012 0.000 2.954 489 E HA -0.322 4.028 4.350 0.001 0.000 0.337 489 E C 0.454 177.039 176.600 -0.025 0.000 1.417 489 E CA 2.657 59.048 56.400 -0.015 0.000 1.411 489 E CB -1.688 28.007 29.700 -0.009 0.000 1.796 489 E HN 1.248 nan 8.360 nan 0.000 0.539 490 A N -0.154 122.654 122.820 -0.019 0.000 2.816 490 A HA -0.028 4.293 4.320 0.001 0.000 0.270 490 A C 1.866 179.434 177.584 -0.027 0.000 1.413 490 A CA 2.514 54.540 52.037 -0.019 0.000 0.866 490 A CB -1.966 17.023 19.000 -0.018 0.000 1.032 490 A HN 2.191 nan 8.150 nan 0.000 0.642 491 G N -4.432 104.353 108.800 -0.026 0.000 2.612 491 G HA2 0.398 4.358 3.960 0.001 0.000 0.200 491 G HA3 0.398 4.358 3.960 0.001 0.000 0.200 491 G C 0.914 175.799 174.900 -0.025 0.000 1.053 491 G CA 1.012 46.097 45.100 -0.026 0.000 0.707 491 G HN 2.655 nan 8.290 nan 0.000 0.497 492 G N 0.676 109.452 108.800 -0.039 0.000 3.154 492 G HA2 0.123 4.084 3.960 0.001 0.000 0.114 492 G HA3 0.123 4.084 3.960 0.001 0.000 0.114 492 G C -0.476 174.378 174.900 -0.078 0.000 2.421 492 G CA 0.779 45.859 45.100 -0.034 0.000 1.271 492 G HN 1.383 nan 8.290 nan 0.000 0.371 493 D N 0.683 121.025 120.400 -0.096 0.000 2.499 493 D HA 0.426 5.066 4.640 0.001 0.000 0.225 493 D C -0.334 175.727 176.300 -0.399 0.000 1.124 493 D CA -0.314 53.534 54.000 -0.252 0.000 0.938 493 D CB 0.925 41.761 40.800 0.059 0.000 1.014 493 D HN 0.488 nan 8.370 nan 0.000 0.517 494 c N 5.646 123.940 118.600 -0.511 0.000 2.816 494 c HA 0.250 4.820 4.570 0.001 0.000 0.255 494 c C -0.399 173.510 174.090 -0.301 0.000 1.141 494 c CA -0.535 55.633 56.329 -0.268 0.000 1.554 494 c CB -0.783 41.664 42.510 -0.104 0.000 1.778 494 c HN 0.595 nan 8.230 nan 0.000 0.429 495 H N 2.486 121.617 119.070 0.102 0.000 2.505 495 H HA 0.700 5.257 4.556 0.001 0.000 0.351 495 H C 0.333 175.746 175.328 0.142 0.000 1.151 495 H CA 0.272 56.384 56.048 0.107 0.000 1.339 495 H CB 1.777 31.596 29.762 0.095 0.000 1.483 495 H HN 0.783 nan 8.280 nan 0.000 0.558 496 A N 2.713 125.684 122.820 0.252 0.000 2.437 496 A HA 0.579 4.899 4.320 0.001 0.000 0.292 496 A C -2.699 175.022 177.584 0.228 0.000 1.173 496 A CA -1.958 50.212 52.037 0.222 0.000 0.785 496 A CB 1.024 20.123 19.000 0.164 0.000 1.351 496 A HN 0.403 nan 8.150 nan 0.000 0.431 497 P HA 0.264 nan 4.420 nan 0.000 0.276 497 P C -0.493 176.945 177.300 0.230 0.000 1.243 497 P CA 0.199 63.446 63.100 0.244 0.000 0.768 497 P CB 0.571 32.420 31.700 0.249 0.000 0.856 498 T N 4.019 118.708 114.554 0.224 0.000 2.759 498 T HA -0.050 4.301 4.350 0.001 0.000 0.273 498 T C 0.629 175.430 174.700 0.169 0.000 0.938 498 T CA 0.748 62.957 62.100 0.182 0.000 1.197 498 T CB -0.580 68.383 68.868 0.159 0.000 0.887 498 T HN 0.351 nan 8.240 nan 0.000 0.540 499 Y N 4.209 124.526 120.300 0.028 0.000 2.230 499 Y HA 0.242 4.792 4.550 0.001 0.000 0.294 499 Y C 1.357 177.244 175.900 -0.022 0.000 1.120 499 Y CA 0.150 58.248 58.100 -0.003 0.000 1.129 499 Y CB -0.027 38.440 38.460 0.011 0.000 1.040 499 Y HN 0.543 nan 8.280 nan 0.000 0.519 500 L N 1.804 123.070 121.223 0.072 0.000 3.887 500 L HA -0.226 4.114 4.340 0.001 0.000 0.546 500 L C -1.871 174.928 176.870 -0.120 0.000 1.196 500 L CA -0.026 54.801 54.840 -0.022 0.000 0.777 500 L CB -0.853 41.168 42.059 -0.064 0.000 1.346 500 L HN 0.280 nan 8.230 nan 0.000 0.810 501 P HA -0.137 nan 4.420 nan 0.000 0.229 501 P C 1.483 178.758 177.300 -0.040 0.000 1.160 501 P CA 1.426 64.472 63.100 -0.089 0.000 0.777 501 P CB 0.294 32.072 31.700 0.130 0.000 0.814 502 A N 0.754 123.569 122.820 -0.009 0.000 1.917 502 A HA -0.171 4.149 4.320 0.001 0.000 0.219 502 A C 1.265 178.832 177.584 -0.027 0.000 1.182 502 A CA 1.330 53.366 52.037 -0.001 0.000 0.633 502 A CB -0.867 18.141 19.000 0.012 0.000 0.819 502 A HN 0.268 nan 8.150 nan 0.000 0.448 503 E N -0.188 119.975 120.200 -0.061 0.000 2.102 503 E HA 0.454 4.805 4.350 0.001 0.000 0.263 503 E C -1.635 174.899 176.600 -0.111 0.000 0.894 503 E CA -0.396 55.955 56.400 -0.081 0.000 0.746 503 E CB 1.695 31.338 29.700 -0.094 0.000 1.129 503 E HN 0.061 nan 8.360 nan 0.000 0.416 504 V N 3.507 123.365 119.914 -0.092 0.000 2.276 504 V HA 0.082 4.202 4.120 0.001 0.000 0.268 504 V C -0.109 175.936 176.094 -0.082 0.000 1.032 504 V CA -0.866 61.372 62.300 -0.104 0.000 0.810 504 V CB 0.990 32.760 31.823 -0.088 0.000 1.060 504 V HN 0.617 nan 8.190 nan 0.000 0.446 505 D N 3.269 123.613 120.400 -0.094 0.000 2.425 505 D HA 0.171 4.812 4.640 0.001 0.000 0.247 505 D C 1.212 177.472 176.300 -0.068 0.000 1.147 505 D CA 0.698 54.652 54.000 -0.078 0.000 0.879 505 D CB 2.204 42.950 40.800 -0.089 0.000 1.179 505 D HN 0.535 nan 8.370 nan 0.000 0.456 506 G N 2.585 111.355 108.800 -0.049 0.000 2.939 506 G HA2 -0.095 3.865 3.960 0.001 0.000 0.210 506 G HA3 -0.095 3.865 3.960 0.001 0.000 0.210 506 G C 0.845 175.717 174.900 -0.046 0.000 1.160 506 G CA -0.117 44.959 45.100 -0.041 0.000 0.770 506 G HN 0.435 nan 8.290 nan 0.000 0.543 507 D N 0.138 120.505 120.400 -0.056 0.000 2.348 507 D HA 0.040 4.681 4.640 0.001 0.000 0.211 507 D C 0.844 177.083 176.300 -0.101 0.000 0.998 507 D CA 0.221 54.176 54.000 -0.075 0.000 0.873 507 D CB 0.820 41.586 40.800 -0.056 0.000 0.925 507 D HN 0.064 nan 8.370 nan 0.000 0.524 508 V N 3.065 122.930 119.914 -0.081 0.000 2.299 508 V HA 0.044 4.164 4.120 0.001 0.000 0.255 508 V C 1.299 177.360 176.094 -0.055 0.000 1.100 508 V CA -0.150 62.103 62.300 -0.079 0.000 0.938 508 V CB 0.986 32.746 31.823 -0.105 0.000 1.139 508 V HN -0.084 nan 8.190 nan 0.000 0.490 509 K N 3.134 123.526 120.400 -0.013 0.000 2.021 509 K HA 0.218 4.539 4.320 0.001 0.000 0.205 509 K C 0.401 177.012 176.600 0.017 0.000 1.047 509 K CA 1.004 57.310 56.287 0.031 0.000 0.943 509 K CB 0.486 33.072 32.500 0.143 0.000 0.725 509 K HN 0.390 nan 8.250 nan 0.000 0.439 510 L N 0.435 121.683 121.223 0.042 0.000 2.422 510 L HA 0.264 4.604 4.340 0.001 0.000 0.264 510 L C -1.012 175.843 176.870 -0.024 0.000 0.984 510 L CA -0.525 54.305 54.840 -0.018 0.000 0.819 510 L CB 2.416 44.434 42.059 -0.068 0.000 1.330 510 L HN -0.041 nan 8.230 nan 0.000 0.410 511 S N 1.373 117.044 115.700 -0.048 0.000 2.437 511 S HA 0.452 4.923 4.470 0.001 0.000 0.305 511 S C 0.186 174.767 174.600 -0.031 0.000 1.109 511 S CA -0.442 57.721 58.200 -0.062 0.000 1.099 511 S CB 1.275 64.421 63.200 -0.090 0.000 1.004 511 S HN 0.750 nan 8.310 nan 0.000 0.475 512 S N 4.467 120.157 115.700 -0.018 0.000 2.536 512 S HA 0.237 4.707 4.470 0.001 0.000 0.248 512 S C 0.376 174.995 174.600 0.031 0.000 1.287 512 S CA -0.496 57.714 58.200 0.016 0.000 0.978 512 S CB -0.294 62.934 63.200 0.047 0.000 0.992 512 S HN 0.893 nan 8.310 nan 0.000 0.539 513 N N 0.040 118.776 118.700 0.061 0.000 2.482 513 N HA 0.345 5.085 4.740 0.001 0.000 0.279 513 N C -0.991 174.570 175.510 0.085 0.000 1.182 513 N CA -0.777 52.322 53.050 0.081 0.000 0.969 513 N CB 0.959 39.510 38.487 0.108 0.000 1.201 513 N HN 0.692 nan 8.380 nan 0.000 0.523 514 L N 0.326 121.613 121.223 0.107 0.000 2.325 514 L HA 0.458 4.798 4.340 0.001 0.000 0.279 514 L C -0.693 176.189 176.870 0.020 0.000 1.054 514 L CA -0.829 54.059 54.840 0.081 0.000 0.804 514 L CB 1.385 43.530 42.059 0.145 0.000 1.200 514 L HN 0.438 nan 8.230 nan 0.000 0.436 515 V N 6.703 126.558 119.914 -0.099 0.000 2.443 515 V HA 0.288 4.409 4.120 0.001 0.000 0.272 515 V C -0.022 175.772 176.094 -0.500 0.000 1.002 515 V CA -0.675 61.426 62.300 -0.332 0.000 0.840 515 V CB 1.098 32.902 31.823 -0.031 0.000 1.042 515 V HN 0.514 nan 8.190 nan 0.000 0.446 516 I N 6.207 126.223 120.570 -0.924 0.000 2.906 516 I HA -0.017 4.153 4.170 0.001 0.000 0.301 516 I C 0.360 176.272 176.117 -0.342 0.000 1.221 516 I CA 0.928 61.852 61.300 -0.626 0.000 1.435 516 I CB 0.044 37.611 38.000 -0.721 0.000 1.345 516 I HN 0.422 nan 8.210 nan 0.000 0.558 517 L N 8.370 129.501 121.223 -0.154 0.000 2.292 517 L HA 0.368 4.709 4.340 0.001 0.000 0.284 517 L C -2.058 174.814 176.870 0.004 0.000 1.065 517 L CA -1.739 53.084 54.840 -0.029 0.000 0.806 517 L CB 0.813 42.868 42.059 -0.006 0.000 1.175 517 L HN 0.384 nan 8.230 nan 0.000 0.431 518 P HA 0.437 nan 4.420 nan 0.000 0.271 518 P C -0.102 177.235 177.300 0.062 0.000 1.216 518 P CA -0.109 63.041 63.100 0.083 0.000 0.776 518 P CB 1.224 32.987 31.700 0.105 0.000 0.881 519 G N 1.041 109.874 108.800 0.055 0.000 2.341 519 G HA2 0.117 4.077 3.960 0.001 0.000 0.293 519 G HA3 0.117 4.077 3.960 0.001 0.000 0.293 519 G C 0.179 175.100 174.900 0.035 0.000 1.298 519 G CA -0.297 44.827 45.100 0.040 0.000 0.868 519 G HN 0.333 nan 8.290 nan 0.000 0.540 520 Q N -0.183 119.633 119.800 0.027 0.000 2.173 520 Q HA -0.026 4.315 4.340 0.001 0.000 0.208 520 Q C 0.477 176.495 176.000 0.030 0.000 0.989 520 Q CA 3.081 58.899 55.803 0.026 0.000 0.872 520 Q CB -0.231 28.519 28.738 0.021 0.000 0.909 520 Q HN 0.842 nan 8.270 nan 0.000 0.420 521 D N -2.225 118.192 120.400 0.028 0.000 2.663 521 D HA 0.201 4.842 4.640 0.001 0.000 0.233 521 D C -1.241 175.065 176.300 0.009 0.000 1.240 521 D CA -0.816 53.205 54.000 0.034 0.000 0.774 521 D CB -0.175 40.650 40.800 0.042 0.000 1.443 521 D HN 0.089 nan 8.370 nan 0.000 0.441 522 L N 0.591 121.806 121.223 -0.013 0.000 2.693 522 L HA 0.064 4.405 4.340 0.001 0.000 0.292 522 L C -0.307 176.508 176.870 -0.093 0.000 1.243 522 L CA 1.607 56.356 54.840 -0.152 0.000 0.903 522 L CB -0.614 41.287 42.059 -0.263 0.000 1.160 522 L HN 0.511 nan 8.230 nan 0.000 0.496 523 Q N 4.410 124.149 119.800 -0.103 0.000 2.737 523 Q HA 0.628 4.968 4.340 0.001 0.000 0.307 523 Q C -1.914 174.227 176.000 0.234 0.000 0.905 523 Q CA -0.726 55.153 55.803 0.126 0.000 0.753 523 Q CB 2.766 31.535 28.738 0.050 0.000 1.463 523 Q HN 0.691 nan 8.270 nan 0.000 0.455 524 Y N -3.441 116.768 120.300 -0.151 0.000 2.469 524 Y HA 0.496 5.046 4.550 0.001 0.000 0.335 524 Y C -1.710 174.057 175.900 -0.221 0.000 1.313 524 Y CA -1.372 56.605 58.100 -0.206 0.000 1.324 524 Y CB 0.009 38.336 38.460 -0.221 0.000 1.321 524 Y HN 0.325 nan 8.280 nan 0.000 0.477 525 V N 4.577 124.378 119.914 -0.189 0.000 2.834 525 V HA 0.610 4.731 4.120 0.001 0.000 0.313 525 V C -0.482 175.480 176.094 -0.221 0.000 1.060 525 V CA -0.757 61.376 62.300 -0.279 0.000 0.989 525 V CB 1.737 33.431 31.823 -0.216 0.000 1.041 525 V HN 0.700 nan 8.190 nan 0.000 0.459 526 L N 1.552 122.661 121.223 -0.189 0.000 2.409 526 L HA 0.974 5.314 4.340 0.001 0.000 0.255 526 L C -0.573 176.350 176.870 0.089 0.000 1.027 526 L CA -0.421 54.359 54.840 -0.100 0.000 0.834 526 L CB 2.066 43.962 42.059 -0.271 0.000 1.426 526 L HN 0.880 nan 8.230 nan 0.000 0.411 527 A N 0.465 123.315 122.820 0.050 0.000 2.594 527 A HA 0.862 5.182 4.320 0.001 0.000 0.295 527 A C -0.859 176.711 177.584 -0.024 0.000 1.071 527 A CA -0.022 52.048 52.037 0.054 0.000 0.685 527 A CB 1.873 20.906 19.000 0.055 0.000 1.285 527 A HN 0.778 nan 8.150 nan 0.000 0.405 528 T N -1.767 112.779 114.554 -0.013 0.000 2.864 528 T HA 0.606 4.957 4.350 0.001 0.000 0.299 528 T C -1.055 173.675 174.700 0.050 0.000 1.166 528 T CA -0.466 61.628 62.100 -0.011 0.000 1.007 528 T CB 1.191 70.019 68.868 -0.066 0.000 1.219 528 T HN 0.735 nan 8.240 nan 0.000 0.506 529 Y N 0.830 121.061 120.300 -0.115 0.000 2.367 529 Y HA 0.455 5.006 4.550 0.001 0.000 0.342 529 Y C -0.620 175.200 175.900 -0.133 0.000 0.979 529 Y CA -0.559 57.461 58.100 -0.134 0.000 1.161 529 Y CB 0.807 39.182 38.460 -0.142 0.000 1.155 529 Y HN 0.732 nan 8.280 nan 0.000 0.503 530 D N 3.326 123.497 120.400 -0.382 0.000 2.441 530 D HA 0.131 4.771 4.640 0.001 0.000 0.231 530 D C 0.403 176.478 176.300 -0.376 0.000 1.073 530 D CA -0.205 53.615 54.000 -0.300 0.000 0.850 530 D CB 1.192 41.905 40.800 -0.145 0.000 1.062 530 D HN 0.619 nan 8.370 nan 0.000 0.524 531 T N -0.875 113.474 114.554 -0.341 0.000 3.235 531 T HA 0.043 4.394 4.350 0.001 0.000 0.251 531 T C 1.504 176.205 174.700 0.002 0.000 1.060 531 T CA 0.174 62.181 62.100 -0.155 0.000 0.949 531 T CB -0.034 68.697 68.868 -0.227 0.000 1.020 531 T HN 0.208 nan 8.240 nan 0.000 0.564 532 S N 2.537 118.222 115.700 -0.026 0.000 2.310 532 S HA 0.012 4.482 4.470 0.001 0.000 0.201 532 S C 1.469 176.120 174.600 0.084 0.000 1.032 532 S CA -0.466 57.755 58.200 0.035 0.000 0.993 532 S CB -0.646 62.590 63.200 0.061 0.000 0.970 532 S HN 0.792 nan 8.310 nan 0.000 0.446 533 R N 1.392 121.951 120.500 0.099 0.000 3.011 533 R HA 0.041 4.381 4.340 0.001 0.000 0.283 533 R C 1.544 177.869 176.300 0.042 0.000 0.990 533 R CA 0.379 56.552 56.100 0.122 0.000 1.178 533 R CB -0.652 29.519 30.300 -0.215 0.000 1.136 533 R HN 0.225 nan 8.270 nan 0.000 0.500 534 V N -0.087 119.851 119.914 0.040 0.000 2.222 534 V HA -0.316 3.804 4.120 0.001 0.000 0.252 534 V C 0.931 176.981 176.094 -0.073 0.000 1.060 534 V CA 2.295 64.584 62.300 -0.018 0.000 1.027 534 V CB -0.960 30.849 31.823 -0.024 0.000 0.644 534 V HN 0.761 nan 8.190 nan 0.000 0.448 535 E N -1.837 118.308 120.200 -0.092 0.000 2.227 535 E HA 0.426 4.776 4.350 0.001 0.000 0.268 535 E C -0.479 176.065 176.600 -0.093 0.000 0.990 535 E CA -0.575 55.745 56.400 -0.134 0.000 0.856 535 E CB 0.883 30.513 29.700 -0.116 0.000 1.159 535 E HN 0.555 nan 8.360 nan 0.000 0.401 536 H N 0.079 119.046 119.070 -0.172 0.000 2.771 536 H HA 0.407 4.964 4.556 0.001 0.000 0.364 536 H C -0.597 174.577 175.328 -0.256 0.000 1.133 536 H CA -0.478 55.394 56.048 -0.293 0.000 1.423 536 H CB 0.809 30.360 29.762 -0.353 0.000 1.425 536 H HN 0.482 nan 8.280 nan 0.000 0.606 537 A N 2.434 125.139 122.820 -0.192 0.000 2.517 537 A HA 0.356 4.676 4.320 0.001 0.000 0.297 537 A C -1.025 176.479 177.584 -0.134 0.000 1.050 537 A CA -0.680 51.277 52.037 -0.132 0.000 0.694 537 A CB 1.099 20.011 19.000 -0.147 0.000 1.277 537 A HN 0.457 nan 8.150 nan 0.000 0.400 538 V N 2.218 122.072 119.914 -0.100 0.000 2.508 538 V HA 0.380 4.501 4.120 0.001 0.000 0.281 538 V C -0.037 175.870 176.094 -0.310 0.000 1.041 538 V CA -0.013 62.160 62.300 -0.211 0.000 1.016 538 V CB 1.097 32.612 31.823 -0.513 0.000 0.984 538 V HN 0.631 nan 8.190 nan 0.000 0.478 539 V N 5.865 125.631 119.914 -0.246 0.000 2.540 539 V HA 0.464 4.584 4.120 0.001 0.000 0.302 539 V C -0.784 175.215 176.094 -0.159 0.000 1.035 539 V CA -0.883 61.307 62.300 -0.184 0.000 0.873 539 V CB 1.747 33.602 31.823 0.054 0.000 0.992 539 V HN 0.683 nan 8.190 nan 0.000 0.428 540 Y N 3.053 123.393 120.300 0.066 0.000 2.335 540 Y HA 0.505 5.056 4.550 0.001 0.000 0.323 540 Y C -0.246 175.556 175.900 -0.163 0.000 1.224 540 Y CA -0.900 57.199 58.100 -0.001 0.000 1.241 540 Y CB 0.894 39.308 38.460 -0.076 0.000 1.235 540 Y HN 0.551 nan 8.280 nan 0.000 0.492 541 Y N 0.363 120.565 120.300 -0.164 0.000 2.495 541 Y HA 0.282 4.833 4.550 0.001 0.000 0.362 541 Y C -0.058 175.320 175.900 -0.870 0.000 0.956 541 Y CA -1.034 56.799 58.100 -0.445 0.000 1.127 541 Y CB 0.296 38.439 38.460 -0.529 0.000 1.173 541 Y HN 0.299 nan 8.280 nan 0.000 0.639 542 V N 2.580 122.092 119.914 -0.669 0.000 2.215 542 V HA -0.193 3.927 4.120 0.001 0.000 0.225 542 V C 0.262 176.057 176.094 -0.498 0.000 1.499 542 V CA 0.146 62.028 62.300 -0.697 0.000 1.522 542 V CB -2.320 28.932 31.823 -0.951 0.000 1.511 542 V HN 0.286 nan 8.190 nan 0.000 0.490 543 Y N 1.445 121.509 120.300 -0.394 0.000 2.335 543 Y HA 0.396 4.946 4.550 0.001 0.000 0.348 543 Y C 1.138 177.012 175.900 -0.043 0.000 1.280 543 Y CA -0.625 57.323 58.100 -0.253 0.000 1.504 543 Y CB 0.384 38.611 38.460 -0.389 0.000 1.366 543 Y HN 0.615 nan 8.280 nan 0.000 0.621 544 S N -1.874 113.988 115.700 0.270 0.000 2.949 544 S HA 0.107 4.577 4.470 0.001 0.000 0.136 544 S C -2.425 172.273 174.600 0.163 0.000 0.855 544 S CA -0.937 57.382 58.200 0.198 0.000 0.869 544 S CB 0.277 63.538 63.200 0.100 0.000 1.577 544 S HN 0.423 nan 8.310 nan 0.000 0.602 545 P HA -0.132 nan 4.420 nan 0.000 0.222 545 P C 1.036 178.385 177.300 0.082 0.000 1.139 545 P CA 1.128 64.291 63.100 0.105 0.000 0.790 545 P CB -0.197 31.564 31.700 0.101 0.000 0.757 546 S N -1.326 114.423 115.700 0.081 0.000 2.603 546 S HA 0.102 4.572 4.470 0.001 0.000 0.220 546 S C 1.582 176.230 174.600 0.081 0.000 0.967 546 S CA 0.302 58.542 58.200 0.067 0.000 0.920 546 S CB -0.009 63.221 63.200 0.050 0.000 0.773 546 S HN 0.151 nan 8.310 nan 0.000 0.529 547 R N -0.705 119.867 120.500 0.120 0.000 2.769 547 R HA 0.257 4.598 4.340 0.001 0.000 0.191 547 R C 0.434 176.900 176.300 0.275 0.000 0.881 547 R CA 0.681 56.910 56.100 0.214 0.000 1.133 547 R CB -0.102 30.318 30.300 0.200 0.000 1.607 547 R HN 0.236 nan 8.270 nan 0.000 0.613 548 S N 0.099 115.944 115.700 0.242 0.000 2.827 548 S HA -0.116 4.355 4.470 0.001 0.000 0.269 548 S C 0.608 175.358 174.600 0.251 0.000 1.323 548 S CA 0.622 58.922 58.200 0.167 0.000 1.176 548 S CB -1.681 61.543 63.200 0.039 0.000 1.436 548 S HN 0.178 nan 8.310 nan 0.000 0.673 549 F N 2.745 122.745 119.950 0.083 0.000 2.346 549 F HA -0.057 4.470 4.527 0.001 0.000 0.301 549 F C 1.653 177.576 175.800 0.204 0.000 1.070 549 F CA 1.056 59.140 58.000 0.141 0.000 1.407 549 F CB -0.845 38.259 39.000 0.173 0.000 1.072 549 F HN 0.257 nan 8.300 nan 0.000 0.543 550 S N 1.151 117.031 115.700 0.299 0.000 3.508 550 S HA -0.199 4.272 4.470 0.001 0.000 0.199 550 S C -0.079 174.578 174.600 0.094 0.000 0.403 550 S CA 0.501 58.794 58.200 0.154 0.000 1.618 550 S CB -2.025 61.200 63.200 0.043 0.000 1.080 550 S HN 0.529 nan 8.310 nan 0.000 0.367 551 Y N 0.218 120.563 120.300 0.075 0.000 2.780 551 Y HA 0.899 5.449 4.550 0.001 0.000 0.340 551 Y C -0.274 175.695 175.900 0.114 0.000 1.216 551 Y CA -2.317 55.826 58.100 0.072 0.000 1.245 551 Y CB 0.554 39.050 38.460 0.061 0.000 1.492 551 Y HN 0.276 nan 8.280 nan 0.000 0.660 552 F N -0.814 119.107 119.950 -0.048 0.000 2.639 552 F HA 0.568 5.096 4.527 0.001 0.000 0.320 552 F C -2.286 173.537 175.800 0.039 0.000 1.128 552 F CA -2.007 55.800 58.000 -0.321 0.000 1.037 552 F CB 0.394 38.856 39.000 -0.897 0.000 1.288 552 F HN 0.687 nan 8.300 nan 0.000 0.463 553 Y N 4.995 125.196 120.300 -0.165 0.000 2.485 553 Y HA 0.852 5.403 4.550 0.001 0.000 0.345 553 Y C -2.947 172.852 175.900 -0.167 0.000 0.998 553 Y CA -2.323 55.676 58.100 -0.167 0.000 1.059 553 Y CB 3.106 41.627 38.460 0.101 0.000 1.234 553 Y HN 0.548 nan 8.280 nan 0.000 0.461 554 P HA 0.269 nan 4.420 nan 0.000 0.298 554 P C -1.702 175.667 177.300 0.114 0.000 1.334 554 P CA -0.437 62.577 63.100 -0.143 0.000 0.942 554 P CB 2.195 33.686 31.700 -0.349 0.000 1.162 555 F N 3.177 123.076 119.950 -0.086 0.000 2.347 555 F HA 0.394 4.921 4.527 0.001 0.000 0.366 555 F C 0.698 176.454 175.800 -0.073 0.000 1.107 555 F CA -0.727 57.254 58.000 -0.032 0.000 1.058 555 F CB 1.121 39.964 39.000 -0.261 0.000 1.236 555 F HN 0.075 nan 8.300 nan 0.000 0.456 556 R N 6.778 127.132 120.500 -0.243 0.000 2.296 556 R HA 0.349 4.689 4.340 0.001 0.000 0.323 556 R C -0.802 175.416 176.300 -0.137 0.000 1.067 556 R CA -0.372 55.627 56.100 -0.167 0.000 0.946 556 R CB 0.547 30.749 30.300 -0.163 0.000 0.991 556 R HN 0.598 nan 8.270 nan 0.000 0.448 557 L N 5.759 126.931 121.223 -0.085 0.000 2.305 557 L HA 0.258 4.598 4.340 0.001 0.000 0.281 557 L C -1.091 175.703 176.870 -0.126 0.000 1.085 557 L CA -1.828 52.926 54.840 -0.143 0.000 0.813 557 L CB 0.940 42.921 42.059 -0.130 0.000 1.157 557 L HN 0.385 nan 8.230 nan 0.000 0.436 558 P HA -0.047 nan 4.420 nan 0.000 0.237 558 P C 0.083 177.352 177.300 -0.052 0.000 1.178 558 P CA 0.903 63.968 63.100 -0.059 0.000 0.766 558 P CB 0.259 31.959 31.700 -0.000 0.000 0.876 559 I N -2.909 117.623 120.570 -0.064 0.000 3.436 559 I HA 0.674 4.845 4.170 0.001 0.000 0.300 559 I C -0.739 175.385 176.117 0.012 0.000 1.131 559 I CA -1.874 59.417 61.300 -0.015 0.000 1.001 559 I CB 1.578 39.594 38.000 0.028 0.000 1.305 559 I HN -0.286 nan 8.210 nan 0.000 0.494 560 K N -0.215 120.222 120.400 0.061 0.000 2.575 560 K HA 0.740 5.060 4.320 0.001 0.000 0.279 560 K C -0.798 175.946 176.600 0.240 0.000 0.969 560 K CA -0.549 55.845 56.287 0.178 0.000 0.868 560 K CB 2.679 35.039 32.500 -0.233 0.000 1.457 560 K HN 1.241 nan 8.250 nan 0.000 0.426 561 G N -0.283 108.765 108.800 0.413 0.000 2.323 561 G HA2 0.272 4.232 3.960 0.001 0.000 0.291 561 G HA3 0.272 4.232 3.960 0.001 0.000 0.291 561 G C -1.737 173.326 174.900 0.270 0.000 1.278 561 G CA -0.816 44.445 45.100 0.268 0.000 0.860 561 G HN 0.282 nan 8.290 nan 0.000 0.504 562 V N 1.902 121.908 119.914 0.152 0.000 2.385 562 V HA 0.461 4.581 4.120 0.001 0.000 0.269 562 V C -1.813 174.259 176.094 -0.036 0.000 1.043 562 V CA -1.438 60.915 62.300 0.088 0.000 0.906 562 V CB 1.042 32.905 31.823 0.066 0.000 0.995 562 V HN 0.602 nan 8.190 nan 0.000 0.467 563 P HA 0.263 nan 4.420 nan 0.000 0.271 563 P C 0.386 177.555 177.300 -0.219 0.000 1.233 563 P CA 0.155 63.007 63.100 -0.414 0.000 0.764 563 P CB 1.376 32.583 31.700 -0.822 0.000 0.825 564 I N 1.759 122.208 120.570 -0.202 0.000 3.172 564 I HA 0.193 4.363 4.170 0.001 0.000 0.278 564 I C 1.200 177.235 176.117 -0.137 0.000 1.174 564 I CA 0.677 61.876 61.300 -0.168 0.000 1.445 564 I CB 0.206 38.059 38.000 -0.244 0.000 1.175 564 I HN 0.367 nan 8.210 nan 0.000 0.447 565 E N 1.714 121.831 120.200 -0.137 0.000 2.291 565 E HA 0.455 4.806 4.350 0.001 0.000 0.276 565 E C -1.840 174.717 176.600 -0.072 0.000 0.896 565 E CA -0.614 55.734 56.400 -0.087 0.000 0.774 565 E CB 2.736 32.398 29.700 -0.062 0.000 1.227 565 E HN 0.017 nan 8.360 nan 0.000 0.413 566 L N 4.041 125.236 121.223 -0.046 0.000 2.404 566 L HA 0.432 4.772 4.340 0.001 0.000 0.272 566 L C -1.499 175.402 176.870 0.052 0.000 0.980 566 L CA -0.186 54.649 54.840 -0.008 0.000 0.836 566 L CB 1.530 43.555 42.059 -0.056 0.000 1.238 566 L HN 0.476 nan 8.230 nan 0.000 0.408 567 Q N 3.481 123.357 119.800 0.128 0.000 2.387 567 Q HA 0.752 5.093 4.340 0.001 0.000 0.273 567 Q C -1.465 174.672 176.000 0.228 0.000 1.089 567 Q CA -0.690 55.216 55.803 0.173 0.000 0.824 567 Q CB 3.182 32.037 28.738 0.195 0.000 1.367 567 Q HN 0.536 nan 8.270 nan 0.000 0.443 568 V N 0.310 120.355 119.914 0.219 0.000 3.012 568 V HA 0.560 4.681 4.120 0.001 0.000 0.307 568 V C -1.902 174.318 176.094 0.209 0.000 1.166 568 V CA -0.581 61.842 62.300 0.205 0.000 0.974 568 V CB 2.389 34.352 31.823 0.233 0.000 1.040 568 V HN 0.900 nan 8.190 nan 0.000 0.428 569 E N 5.087 125.400 120.200 0.188 0.000 2.218 569 E HA 0.698 5.048 4.350 0.001 0.000 0.263 569 E C -1.259 175.448 176.600 0.178 0.000 0.879 569 E CA -0.649 55.893 56.400 0.237 0.000 0.762 569 E CB 1.680 31.584 29.700 0.340 0.000 1.166 569 E HN 0.639 nan 8.360 nan 0.000 0.415 570 c N 2.669 121.364 118.600 0.158 0.000 2.667 570 c HA 0.879 5.449 4.570 0.001 0.000 0.323 570 c C -1.086 173.158 174.090 0.256 0.000 1.214 570 c CA -0.629 55.725 56.329 0.043 0.000 1.721 570 c CB 0.405 42.831 42.510 -0.141 0.000 2.275 570 c HN 0.882 nan 8.230 nan 0.000 0.491 571 F N -1.452 118.561 119.950 0.105 0.000 2.708 571 F HA 0.519 5.047 4.527 0.001 0.000 0.309 571 F C -0.539 175.387 175.800 0.210 0.000 1.120 571 F CA -0.667 57.421 58.000 0.147 0.000 0.978 571 F CB 0.065 39.167 39.000 0.170 0.000 1.283 571 F HN 0.398 nan 8.300 nan 0.000 0.439 572 T N 1.729 116.496 114.554 0.356 0.000 2.899 572 T HA 0.334 4.685 4.350 0.001 0.000 0.295 572 T C -1.712 173.319 174.700 0.552 0.000 1.033 572 T CA 0.411 62.696 62.100 0.307 0.000 1.084 572 T CB 0.671 69.661 68.868 0.204 0.000 0.979 572 T HN 0.720 nan 8.240 nan 0.000 0.532 573 W N 3.027 124.489 121.300 0.269 0.000 3.698 573 W HA 0.318 4.979 4.660 0.001 0.000 0.315 573 W C -1.337 175.321 176.519 0.231 0.000 1.129 573 W CA -0.509 56.988 57.345 0.252 0.000 1.299 573 W CB 0.659 30.242 29.460 0.206 0.000 1.181 573 W HN 0.762 nan 8.180 nan 0.000 0.423 574 D N 5.065 125.339 120.400 -0.211 0.000 3.038 574 D HA -0.273 4.367 4.640 0.001 0.000 0.229 574 D C 1.061 177.413 176.300 0.086 0.000 1.182 574 D CA 2.301 56.189 54.000 -0.188 0.000 0.852 574 D CB -0.070 40.491 40.800 -0.398 0.000 0.932 574 D HN 0.668 nan 8.370 nan 0.000 0.406 575 Q N -1.525 118.307 119.800 0.053 0.000 2.451 575 Q HA -0.282 4.058 4.340 0.001 0.000 0.176 575 Q C 0.253 176.303 176.000 0.084 0.000 2.730 575 Q CA 2.348 58.187 55.803 0.059 0.000 0.574 575 Q CB -1.453 27.313 28.738 0.046 0.000 0.548 575 Q HN 0.755 nan 8.270 nan 0.000 0.607 576 K N 0.736 121.241 120.400 0.174 0.000 2.087 576 K HA 0.507 4.828 4.320 0.001 0.000 0.255 576 K C 0.145 176.799 176.600 0.091 0.000 0.988 576 K CA -0.718 55.606 56.287 0.061 0.000 0.915 576 K CB 0.691 33.145 32.500 -0.078 0.000 1.043 576 K HN 0.075 nan 8.250 nan 0.000 0.457 577 L N 2.170 123.331 121.223 -0.103 0.000 2.259 577 L HA 0.330 4.670 4.340 0.001 0.000 0.288 577 L C -1.645 175.032 176.870 -0.321 0.000 1.051 577 L CA -0.152 54.616 54.840 -0.120 0.000 0.824 577 L CB 0.007 41.988 42.059 -0.130 0.000 1.206 577 L HN 0.419 nan 8.230 nan 0.000 0.429 578 W N 4.827 125.827 121.300 -0.500 0.000 2.316 578 W HA 0.581 5.242 4.660 0.001 0.000 0.311 578 W C -0.244 175.831 176.519 -0.739 0.000 1.217 578 W CA -0.137 56.808 57.345 -0.668 0.000 1.199 578 W CB 1.259 30.201 29.460 -0.863 0.000 1.202 578 W HN 0.518 nan 8.180 nan 0.000 0.528 579 c N 3.299 121.664 118.600 -0.393 0.000 2.712 579 c HA 0.736 5.306 4.570 0.001 0.000 0.308 579 c C -0.173 173.738 174.090 -0.298 0.000 1.201 579 c CA -1.246 54.840 56.329 -0.404 0.000 1.554 579 c CB 1.847 43.858 42.510 -0.830 0.000 2.117 579 c HN 0.689 nan 8.230 nan 0.000 0.480 580 R N 1.972 122.317 120.500 -0.260 0.000 2.621 580 R HA 0.620 4.960 4.340 0.001 0.000 0.292 580 R C -0.986 175.018 176.300 -0.493 0.000 0.969 580 R CA -0.207 55.604 56.100 -0.482 0.000 0.887 580 R CB 0.966 30.961 30.300 -0.509 0.000 1.180 580 R HN 1.043 nan 8.270 nan 0.000 0.450 581 H N 2.103 120.764 119.070 -0.682 0.000 2.747 581 H HA 0.434 4.990 4.556 0.001 0.000 0.371 581 H C -1.446 173.352 175.328 -0.882 0.000 1.161 581 H CA -0.831 54.900 56.048 -0.528 0.000 1.167 581 H CB 1.440 31.044 29.762 -0.263 0.000 1.732 581 H HN 0.359 nan 8.280 nan 0.000 0.544 582 F N 0.913 120.835 119.950 -0.046 0.000 2.477 582 F HA 0.391 4.919 4.527 0.001 0.000 0.335 582 F C -0.270 175.535 175.800 0.008 0.000 1.130 582 F CA -0.791 57.158 58.000 -0.085 0.000 0.948 582 F CB 1.782 40.728 39.000 -0.090 0.000 1.154 582 F HN 0.515 nan 8.300 nan 0.000 0.439 583 C N 4.582 123.968 119.300 0.145 0.000 2.381 583 C HA 0.789 5.250 4.460 0.001 0.000 0.328 583 C C -0.839 174.181 174.990 0.050 0.000 1.190 583 C CA -0.588 58.477 59.018 0.078 0.000 1.369 583 C CB 0.378 28.168 27.740 0.084 0.000 2.029 583 C HN 0.611 nan 8.230 nan 0.000 0.448 584 V N 7.513 127.420 119.914 -0.011 0.000 2.334 584 V HA 0.608 4.728 4.120 0.001 0.000 0.281 584 V C -0.481 175.554 176.094 -0.097 0.000 1.016 584 V CA -0.307 61.978 62.300 -0.025 0.000 0.832 584 V CB 0.965 32.764 31.823 -0.040 0.000 0.999 584 V HN 0.730 nan 8.190 nan 0.000 0.439 585 L N 2.858 124.051 121.223 -0.050 0.000 2.422 585 L HA 0.993 5.333 4.340 0.001 0.000 0.264 585 L C 0.034 176.953 176.870 0.082 0.000 0.984 585 L CA -1.200 53.604 54.840 -0.060 0.000 0.819 585 L CB 1.622 43.623 42.059 -0.098 0.000 1.330 585 L HN 0.518 nan 8.230 nan 0.000 0.410 586 A N 1.105 124.011 122.820 0.143 0.000 2.491 586 A HA 0.447 4.768 4.320 0.001 0.000 0.261 586 A C -0.211 177.480 177.584 0.179 0.000 1.101 586 A CA 0.194 52.449 52.037 0.365 0.000 0.772 586 A CB -0.360 18.854 19.000 0.358 0.000 1.043 586 A HN 0.870 nan 8.150 nan 0.000 0.501 587 D N 1.306 121.790 120.400 0.139 0.000 2.385 587 D HA 0.417 5.057 4.640 0.001 0.000 0.254 587 D C 0.964 177.302 176.300 0.063 0.000 1.053 587 D CA -0.147 53.910 54.000 0.095 0.000 0.992 587 D CB 1.387 42.236 40.800 0.081 0.000 1.145 587 D HN 0.248 nan 8.370 nan 0.000 0.523 588 S N 0.226 115.959 115.700 0.055 0.000 2.603 588 S HA -0.038 4.432 4.470 0.001 0.000 0.229 588 S C 0.836 175.449 174.600 0.021 0.000 0.972 588 S CA 0.113 58.334 58.200 0.036 0.000 0.935 588 S CB -0.211 63.007 63.200 0.030 0.000 0.769 588 S HN 0.494 nan 8.310 nan 0.000 0.536 589 E N 2.028 122.240 120.200 0.020 0.000 4.347 589 E HA 0.118 4.468 4.350 0.001 0.000 0.570 589 E C 1.293 177.891 176.600 -0.003 0.000 0.612 589 E CA 0.390 56.795 56.400 0.008 0.000 3.726 589 E CB -0.504 29.202 29.700 0.009 0.000 2.281 589 E HN 0.019 nan 8.360 nan 0.000 0.382 590 S N -0.839 114.853 115.700 -0.014 0.000 2.981 590 S HA 0.098 4.568 4.470 0.001 0.000 0.235 590 S C 1.094 175.671 174.600 -0.037 0.000 0.983 590 S CA 1.214 59.400 58.200 -0.024 0.000 1.051 590 S CB -1.634 61.547 63.200 -0.031 0.000 0.814 590 S HN 0.712 nan 8.310 nan 0.000 0.518 591 G N 0.015 108.799 108.800 -0.027 0.000 2.353 591 G HA2 -0.277 3.684 3.960 0.001 0.000 0.258 591 G HA3 -0.277 3.684 3.960 0.001 0.000 0.258 591 G C 0.629 175.473 174.900 -0.093 0.000 1.013 591 G CA 0.243 45.323 45.100 -0.035 0.000 0.622 591 G HN 1.055 nan 8.290 nan 0.000 0.535 592 G N 0.027 108.752 108.800 -0.125 0.000 2.732 592 G HA2 0.409 4.369 3.960 0.001 0.000 0.244 592 G HA3 0.409 4.369 3.960 0.001 0.000 0.244 592 G C 0.043 174.843 174.900 -0.167 0.000 1.226 592 G CA 0.121 45.083 45.100 -0.231 0.000 0.860 592 G HN 0.536 nan 8.290 nan 0.000 0.583 593 H N -0.755 118.324 119.070 0.015 0.000 2.562 593 H HA 0.413 4.969 4.556 0.001 0.000 0.352 593 H C 0.015 175.357 175.328 0.023 0.000 1.125 593 H CA -0.303 55.756 56.048 0.019 0.000 1.379 593 H CB 1.655 31.427 29.762 0.015 0.000 1.464 593 H HN 0.363 nan 8.280 nan 0.000 0.563 594 I N 1.064 121.734 120.570 0.165 0.000 2.689 594 I HA 0.278 4.448 4.170 0.001 0.000 0.299 594 I C -0.670 175.516 176.117 0.115 0.000 1.059 594 I CA -0.431 60.938 61.300 0.115 0.000 1.055 594 I CB 1.913 39.974 38.000 0.101 0.000 1.243 594 I HN 0.423 nan 8.210 nan 0.000 0.425 595 T N 4.878 119.498 114.554 0.110 0.000 2.824 595 T HA 0.399 4.749 4.350 0.001 0.000 0.282 595 T C -1.050 173.737 174.700 0.146 0.000 0.993 595 T CA -0.328 61.838 62.100 0.111 0.000 0.967 595 T CB 0.638 69.555 68.868 0.081 0.000 0.960 595 T HN 0.465 nan 8.240 nan 0.000 0.441 596 H N 1.416 120.519 119.070 0.055 0.000 2.600 596 H HA 0.686 5.242 4.556 0.001 0.000 0.357 596 H C -1.420 173.880 175.328 -0.046 0.000 1.106 596 H CA -0.356 55.720 56.048 0.047 0.000 1.193 596 H CB 2.006 31.837 29.762 0.114 0.000 1.594 596 H HN 0.651 nan 8.280 nan 0.000 0.526 597 S N 2.951 118.236 115.700 -0.691 0.000 2.536 597 S HA 0.734 5.204 4.470 0.001 0.000 0.271 597 S C -1.019 172.973 174.600 -1.012 0.000 1.134 597 S CA 0.001 57.636 58.200 -0.941 0.000 0.897 597 S CB 1.668 64.402 63.200 -0.776 0.000 1.094 597 S HN 0.998 nan 8.310 nan 0.000 0.473 598 G N 2.120 110.179 108.800 -1.234 0.000 2.684 598 G HA2 0.647 4.608 3.960 0.001 0.000 0.290 598 G HA3 0.647 4.608 3.960 0.001 0.000 0.290 598 G C -1.763 172.624 174.900 -0.855 0.000 1.425 598 G CA -0.612 44.036 45.100 -0.753 0.000 0.822 598 G HN 0.753 nan 8.290 nan 0.000 0.482 599 M N 1.064 120.344 119.600 -0.534 0.000 2.464 599 M HA 0.728 5.209 4.480 0.001 0.000 0.308 599 M C -1.599 174.543 176.300 -0.264 0.000 1.127 599 M CA -1.047 54.016 55.300 -0.395 0.000 0.913 599 M CB 2.262 34.717 32.600 -0.241 0.000 1.689 599 M HN 0.642 nan 8.290 nan 0.000 0.445 600 V N 3.401 123.150 119.914 -0.275 0.000 2.760 600 V HA 0.886 5.007 4.120 0.001 0.000 0.309 600 V C -0.728 174.954 176.094 -0.688 0.000 1.077 600 V CA -0.195 61.922 62.300 -0.305 0.000 0.910 600 V CB 2.143 33.872 31.823 -0.156 0.000 1.008 600 V HN 0.958 nan 8.190 nan 0.000 0.424 601 G N 6.539 114.571 108.800 -1.281 0.000 2.547 601 G HA2 0.531 4.492 3.960 0.001 0.000 0.327 601 G HA3 0.531 4.492 3.960 0.001 0.000 0.327 601 G C -0.409 173.904 174.900 -0.978 0.000 1.118 601 G CA -0.688 43.190 45.100 -2.037 0.000 1.022 601 G HN 0.733 nan 8.290 nan 0.000 0.464 602 M N 2.172 121.353 119.600 -0.698 0.000 2.185 602 M HA 0.428 4.909 4.480 0.001 0.000 0.357 602 M C 0.667 176.785 176.300 -0.304 0.000 1.260 602 M CA -0.018 55.005 55.300 -0.463 0.000 1.124 602 M CB 1.538 33.927 32.600 -0.352 0.000 1.600 602 M HN 0.429 nan 8.290 nan 0.000 0.467 603 G N 2.418 111.077 108.800 -0.236 0.000 2.609 603 G HA2 0.618 4.578 3.960 0.001 0.000 0.308 603 G HA3 0.618 4.578 3.960 0.001 0.000 0.308 603 G C -0.898 173.921 174.900 -0.136 0.000 1.369 603 G CA -0.666 44.346 45.100 -0.147 0.000 0.958 603 G HN 0.713 nan 8.290 nan 0.000 0.499 604 V N 0.799 120.649 119.914 -0.106 0.000 2.539 604 V HA 0.932 5.053 4.120 0.001 0.000 0.292 604 V C 0.126 176.222 176.094 0.004 0.000 1.045 604 V CA -0.392 61.858 62.300 -0.082 0.000 0.945 604 V CB 0.945 32.770 31.823 0.004 0.000 0.993 604 V HN 1.231 nan 8.190 nan 0.000 0.464 605 S N 2.965 118.652 115.700 -0.022 0.000 2.596 605 S HA 0.837 5.308 4.470 0.001 0.000 0.270 605 S C -0.762 173.815 174.600 -0.037 0.000 1.155 605 S CA -0.591 57.606 58.200 -0.004 0.000 0.827 605 S CB 1.582 64.773 63.200 -0.014 0.000 1.130 605 S HN 1.102 nan 8.310 nan 0.000 0.467 606 c N 0.000 118.586 118.600 -0.023 0.000 2.653 606 c HA 0.000 4.570 4.570 0.001 0.000 0.325 606 c CA 0.000 56.304 56.329 -0.042 0.000 1.963 606 c CB 0.000 42.480 42.510 -0.049 0.000 2.134 606 c HN 0.000 nan 8.230 nan 0.000 0.568