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 3l71_1_A DATA FIRST_RESID 1 DATA SEQUENCE AATYAQTLQN IPETNVTTLD NGLRVASEES SQPTCTVGVW IGAGSRYENE DATA SEQUENCE KNNGAGYFVE HLAFKGTKKR PCAAFEKEVE SMGAHFNGYT SREQTAFYIK DATA SEQUENCE ALSKDMPKVV ELLADVVQNC ALEESQIEKE RGVILQELKE MDNDMTNVTF DATA SEQUENCE DYLHATAFQG TALARTVEGT TENIKHLTRA DLASYIDTHF KAPRMVLAAA DATA SEQUENCE GGISHKELVD AARQHFSGVS FTYKEDAVPI LPRCRFTGSE IRARDDALPV DATA SEQUENCE AHVALAVEGP GWADPDNVVL HVANAIIGRY DRTFGGGKHL SSRLAALAVE DATA SEQUENCE HKLCHSFQTF NTSYSDTGLF GFHFVADPLS IDDMMFCAQG EWMRLCTSTT DATA SEQUENCE ESEVKRAKNH LRSAMVAQLD GTTPVCETIG SHLLNYGRRI SLEEWDSRIS DATA SEQUENCE AVDARMVRDV CSKYIYDKCP ALAAVGPIEQ LLDYNRIRSG MYWI 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.594 177.584 0.016 0.000 1.274 1 A CA 0.000 52.045 52.037 0.013 0.000 0.836 1 A CB 0.000 19.007 19.000 0.012 0.000 0.831 2 A N 0.783 123.612 122.820 0.016 0.000 2.407 2 A HA 0.561 4.881 4.320 -0.000 0.000 0.248 2 A C 0.780 178.382 177.584 0.030 0.000 1.082 2 A CA 0.801 52.847 52.037 0.015 0.000 0.785 2 A CB -0.645 18.360 19.000 0.008 0.000 1.020 2 A HN 1.871 nan 8.150 nan 0.000 0.489 3 T N -0.506 114.067 114.554 0.032 0.000 2.816 3 T HA 0.246 4.596 4.350 -0.000 0.000 0.282 3 T C 0.841 175.590 174.700 0.082 0.000 0.993 3 T CA 0.352 62.490 62.100 0.063 0.000 0.994 3 T CB 0.245 69.147 68.868 0.057 0.000 1.025 3 T HN 0.652 nan 8.240 nan 0.000 0.529 4 Y N 1.096 121.399 120.300 0.005 0.000 2.274 4 Y HA 0.048 4.598 4.550 -0.000 0.000 0.290 4 Y C 2.523 178.427 175.900 0.008 0.000 1.145 4 Y CA 1.425 59.529 58.100 0.007 0.000 1.203 4 Y CB -1.070 37.396 38.460 0.010 0.000 0.984 4 Y HN 0.790 nan 8.280 nan 0.000 0.533 5 A N 0.519 123.290 122.820 -0.082 0.000 1.865 5 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 5 A C 2.118 179.608 177.584 -0.158 0.000 1.191 5 A CA 2.128 54.072 52.037 -0.154 0.000 0.623 5 A CB -0.821 18.163 19.000 -0.025 0.000 0.826 5 A HN 0.663 nan 8.150 nan 0.000 0.444 6 Q N -0.534 119.215 119.800 -0.084 0.000 2.050 6 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 6 Q C 2.287 178.236 176.000 -0.086 0.000 0.980 6 Q CA 2.126 57.888 55.803 -0.068 0.000 0.840 6 Q CB -0.718 28.001 28.738 -0.033 0.000 0.898 6 Q HN 0.865 nan 8.270 nan 0.000 0.424 7 T N 0.045 114.549 114.554 -0.083 0.000 2.778 7 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 7 T C 1.826 176.456 174.700 -0.117 0.000 1.050 7 T CA 0.989 63.045 62.100 -0.074 0.000 1.137 7 T CB -0.331 68.515 68.868 -0.036 0.000 0.860 7 T HN 0.145 nan 8.240 nan 0.000 0.468 8 L N 0.335 121.434 121.223 -0.206 0.000 2.109 8 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 8 L C 3.165 179.953 176.870 -0.136 0.000 1.086 8 L CA 1.409 56.120 54.840 -0.215 0.000 0.760 8 L CB -0.491 41.360 42.059 -0.348 0.000 0.910 8 L HN 0.355 nan 8.230 nan 0.000 0.437 9 Q N -0.252 119.477 119.800 -0.119 0.000 2.123 9 Q HA -0.155 4.185 4.340 -0.000 0.000 0.199 9 Q C 1.396 177.354 176.000 -0.070 0.000 0.966 9 Q CA 1.296 57.047 55.803 -0.086 0.000 0.845 9 Q CB -0.101 28.594 28.738 -0.072 0.000 0.907 9 Q HN 0.407 nan 8.270 nan 0.000 0.439 10 N N 0.251 118.912 118.700 -0.064 0.000 2.575 10 N HA 0.060 4.800 4.740 -0.000 0.000 0.192 10 N C -0.467 175.014 175.510 -0.049 0.000 1.200 10 N CA 0.326 53.346 53.050 -0.049 0.000 0.897 10 N CB 0.112 38.575 38.487 -0.040 0.000 0.990 10 N HN 0.196 nan 8.380 nan 0.000 0.449 11 I N 2.508 123.043 120.570 -0.059 0.000 2.452 11 I HA 0.107 4.277 4.170 -0.000 0.000 0.287 11 I C -1.654 174.429 176.117 -0.057 0.000 1.079 11 I CA -1.836 59.431 61.300 -0.055 0.000 1.387 11 I CB 0.471 38.434 38.000 -0.061 0.000 1.404 11 I HN -0.061 nan 8.210 nan 0.000 0.522 12 P HA -0.057 nan 4.420 nan 0.000 0.261 12 P C -0.274 176.985 177.300 -0.068 0.000 1.173 12 P CA 0.223 63.291 63.100 -0.053 0.000 0.760 12 P CB 0.606 32.280 31.700 -0.043 0.000 0.783 13 E N 1.289 121.445 120.200 -0.074 0.000 2.408 13 E HA 0.111 4.461 4.350 -0.000 0.000 0.259 13 E C -0.250 176.284 176.600 -0.109 0.000 1.110 13 E CA -0.143 56.202 56.400 -0.091 0.000 0.929 13 E CB 0.479 30.125 29.700 -0.089 0.000 0.971 13 E HN 0.354 nan 8.360 nan 0.000 0.438 14 T N 3.920 118.401 114.554 -0.123 0.000 2.743 14 T HA 0.236 4.586 4.350 -0.000 0.000 0.293 14 T C -0.437 174.154 174.700 -0.181 0.000 0.945 14 T CA -0.734 61.282 62.100 -0.140 0.000 1.030 14 T CB 0.307 69.095 68.868 -0.133 0.000 0.912 14 T HN 0.328 nan 8.240 nan 0.000 0.483 15 N N 2.716 121.247 118.700 -0.282 0.000 2.426 15 N HA 0.439 5.179 4.740 -0.000 0.000 0.275 15 N C -0.908 174.362 175.510 -0.400 0.000 1.019 15 N CA -0.344 52.412 53.050 -0.489 0.000 0.941 15 N CB 1.917 39.769 38.487 -1.058 0.000 1.123 15 N HN 0.265 nan 8.380 nan 0.000 0.486 16 V N 1.248 121.046 119.914 -0.195 0.000 2.531 16 V HA 0.544 4.664 4.120 -0.000 0.000 0.301 16 V C -0.011 176.129 176.094 0.076 0.000 1.034 16 V CA -0.734 61.560 62.300 -0.009 0.000 0.865 16 V CB 1.730 33.544 31.823 -0.015 0.000 0.995 16 V HN 0.833 nan 8.190 nan 0.000 0.424 17 T N 0.122 114.779 114.554 0.172 0.000 2.921 17 T HA 0.571 4.921 4.350 -0.000 0.000 0.297 17 T C -0.422 174.328 174.700 0.083 0.000 1.013 17 T CA -0.583 61.600 62.100 0.138 0.000 0.990 17 T CB 1.703 70.689 68.868 0.197 0.000 1.023 17 T HN 0.494 nan 8.240 nan 0.000 0.447 18 T N 4.278 118.863 114.554 0.051 0.000 2.882 18 T HA 0.550 4.900 4.350 -0.000 0.000 0.287 18 T C 0.703 175.419 174.700 0.026 0.000 0.992 18 T CA -0.794 61.325 62.100 0.032 0.000 1.076 18 T CB 0.726 69.608 68.868 0.023 0.000 0.961 18 T HN 0.531 nan 8.240 nan 0.000 0.490 19 L N 1.263 122.497 121.223 0.018 0.000 2.855 19 L HA 0.344 4.683 4.340 -0.000 0.000 0.204 19 L C 1.275 178.151 176.870 0.010 0.000 1.206 19 L CA -0.697 54.154 54.840 0.018 0.000 0.942 19 L CB 0.247 42.322 42.059 0.027 0.000 1.832 19 L HN 0.625 nan 8.230 nan 0.000 0.522 20 D N -0.535 119.869 120.400 0.005 0.000 2.301 20 D HA -0.070 4.570 4.640 -0.000 0.000 0.206 20 D C 1.340 177.630 176.300 -0.017 0.000 0.979 20 D CA 0.615 54.612 54.000 -0.005 0.000 0.874 20 D CB -0.103 40.691 40.800 -0.010 0.000 0.968 20 D HN 0.485 nan 8.370 nan 0.000 0.510 21 N N 0.436 119.127 118.700 -0.016 0.000 2.521 21 N HA 0.020 4.760 4.740 -0.000 0.000 0.188 21 N C 1.501 176.997 175.510 -0.024 0.000 1.146 21 N CA 0.979 54.011 53.050 -0.029 0.000 0.893 21 N CB 0.086 38.564 38.487 -0.015 0.000 0.975 21 N HN 0.198 nan 8.380 nan 0.000 0.451 22 G N -0.258 108.533 108.800 -0.016 0.000 2.195 22 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.224 22 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.224 22 G C -0.222 174.664 174.900 -0.022 0.000 0.990 22 G CA 0.085 45.177 45.100 -0.013 0.000 0.639 22 G HN 0.454 nan 8.290 nan 0.000 0.514 23 L N 1.089 122.287 121.223 -0.041 0.000 2.456 23 L HA 0.657 4.997 4.340 -0.000 0.000 0.272 23 L C 0.661 177.507 176.870 -0.041 0.000 1.189 23 L CA -0.464 54.329 54.840 -0.079 0.000 0.846 23 L CB 0.419 42.378 42.059 -0.167 0.000 1.111 23 L HN 0.250 nan 8.230 nan 0.000 0.475 24 R N 3.298 123.777 120.500 -0.035 0.000 2.514 24 R HA 0.597 4.937 4.340 -0.000 0.000 0.301 24 R C -1.367 174.945 176.300 0.020 0.000 0.962 24 R CA -0.718 55.385 56.100 0.005 0.000 0.882 24 R CB 2.076 32.384 30.300 0.014 0.000 1.143 24 R HN 0.416 nan 8.270 nan 0.000 0.452 25 V N 2.396 122.348 119.914 0.063 0.000 2.409 25 V HA 0.728 4.848 4.120 -0.000 0.000 0.291 25 V C -0.426 175.777 176.094 0.181 0.000 1.020 25 V CA -0.613 61.749 62.300 0.103 0.000 0.848 25 V CB 1.544 33.416 31.823 0.082 0.000 0.990 25 V HN 0.938 nan 8.190 nan 0.000 0.430 26 A N 4.021 126.924 122.820 0.139 0.000 2.454 26 A HA 1.051 5.371 4.320 -0.000 0.000 0.302 26 A C -0.363 177.275 177.584 0.091 0.000 1.079 26 A CA -0.222 51.873 52.037 0.097 0.000 0.731 26 A CB 2.223 21.226 19.000 0.004 0.000 1.299 26 A HN 1.343 nan 8.150 nan 0.000 0.413 27 S N -0.077 115.645 115.700 0.037 0.000 2.578 27 S HA 0.604 5.074 4.470 -0.000 0.000 0.272 27 S C -1.298 173.283 174.600 -0.033 0.000 1.145 27 S CA -0.601 57.620 58.200 0.034 0.000 0.835 27 S CB 1.436 64.718 63.200 0.137 0.000 1.104 27 S HN 1.013 nan 8.310 nan 0.000 0.458 28 E N 0.622 120.804 120.200 -0.031 0.000 2.235 28 E HA 0.320 4.670 4.350 -0.000 0.000 0.252 28 E C -0.994 175.593 176.600 -0.021 0.000 0.886 28 E CA -0.289 56.083 56.400 -0.048 0.000 0.767 28 E CB 1.231 30.890 29.700 -0.068 0.000 1.205 28 E HN 0.672 nan 8.360 nan 0.000 0.421 29 E N 3.390 123.581 120.200 -0.015 0.000 2.223 29 E HA 0.193 4.543 4.350 -0.000 0.000 0.282 29 E C -0.762 175.832 176.600 -0.010 0.000 1.046 29 E CA -0.199 56.200 56.400 -0.001 0.000 0.857 29 E CB 0.848 30.554 29.700 0.010 0.000 1.055 29 E HN 0.538 nan 8.360 nan 0.000 0.409 30 S N 2.302 117.999 115.700 -0.006 0.000 2.751 30 S HA 0.278 4.748 4.470 -0.000 0.000 0.310 30 S C 0.240 174.837 174.600 -0.004 0.000 1.128 30 S CA -0.809 57.386 58.200 -0.008 0.000 0.931 30 S CB 1.646 64.840 63.200 -0.009 0.000 1.177 30 S HN 0.309 nan 8.310 nan 0.000 0.530 31 S N 0.231 115.928 115.700 -0.005 0.000 2.667 31 S HA 0.242 4.712 4.470 -0.000 0.000 0.251 31 S C -0.222 174.376 174.600 -0.003 0.000 1.075 31 S CA -0.468 57.730 58.200 -0.003 0.000 1.130 31 S CB -1.024 62.174 63.200 -0.004 0.000 0.795 31 S HN 0.603 nan 8.310 nan 0.000 0.462 32 Q N 2.003 121.802 119.800 -0.002 0.000 2.290 32 Q HA 0.289 4.629 4.340 -0.000 0.000 0.259 32 Q C -1.679 174.319 176.000 -0.003 0.000 0.941 32 Q CA -2.343 53.459 55.803 -0.002 0.000 0.912 32 Q CB 1.574 30.312 28.738 0.000 0.000 1.244 32 Q HN 0.223 nan 8.270 nan 0.000 0.441 33 P HA -0.139 nan 4.420 nan 0.000 0.225 33 P C 0.412 177.704 177.300 -0.014 0.000 1.148 33 P CA 1.078 64.172 63.100 -0.010 0.000 0.779 33 P CB 0.432 32.125 31.700 -0.011 0.000 0.780 34 T N -0.779 113.769 114.554 -0.011 0.000 2.932 34 T HA 0.568 4.918 4.350 -0.000 0.000 0.289 34 T C -0.502 174.197 174.700 -0.001 0.000 1.039 34 T CA -0.522 61.569 62.100 -0.014 0.000 1.024 34 T CB 1.141 69.999 68.868 -0.016 0.000 1.090 34 T HN 0.267 nan 8.240 nan 0.000 0.496 35 C N 0.873 120.175 119.300 0.003 0.000 3.336 35 C HA 0.929 5.389 4.460 -0.000 0.000 0.339 35 C C -0.871 174.148 174.990 0.048 0.000 1.468 35 C CA -0.620 58.412 59.018 0.023 0.000 1.287 35 C CB 1.100 28.853 27.740 0.022 0.000 1.682 35 C HN 0.841 nan 8.230 nan 0.000 0.451 36 T N 1.338 115.937 114.554 0.076 0.000 2.991 36 T HA 0.701 5.051 4.350 -0.000 0.000 0.303 36 T C -0.677 174.122 174.700 0.164 0.000 1.015 36 T CA -0.313 61.868 62.100 0.135 0.000 1.007 36 T CB 1.357 70.317 68.868 0.153 0.000 1.034 36 T HN 1.978 nan 8.240 nan 0.000 0.446 37 V N 0.173 120.206 119.914 0.198 0.000 2.841 37 V HA 1.104 5.224 4.120 -0.000 0.000 0.310 37 V C -0.281 175.992 176.094 0.298 0.000 1.090 37 V CA -0.444 61.994 62.300 0.230 0.000 0.930 37 V CB 1.606 33.515 31.823 0.143 0.000 1.014 37 V HN 1.188 nan 8.190 nan 0.000 0.425 38 G N 0.974 110.020 108.800 0.409 0.000 2.559 38 G HA2 0.620 4.580 3.960 -0.000 0.000 0.291 38 G HA3 0.620 4.580 3.960 -0.000 0.000 0.291 38 G C -1.783 173.298 174.900 0.301 0.000 1.424 38 G CA -0.147 45.126 45.100 0.289 0.000 0.786 38 G HN 1.695 nan 8.290 nan 0.000 0.485 39 V N 0.918 120.873 119.914 0.068 0.000 2.417 39 V HA 0.699 4.819 4.120 -0.000 0.000 0.291 39 V C -1.038 174.976 176.094 -0.134 0.000 1.024 39 V CA -0.974 61.381 62.300 0.092 0.000 0.861 39 V CB 1.107 32.957 31.823 0.045 0.000 0.985 39 V HN 0.639 nan 8.190 nan 0.000 0.436 40 W N 7.534 128.820 121.300 -0.024 0.000 2.349 40 W HA 0.545 5.205 4.660 -0.000 0.000 0.309 40 W C -0.473 175.996 176.519 -0.083 0.000 1.083 40 W CA -0.550 56.757 57.345 -0.063 0.000 1.224 40 W CB 1.694 31.139 29.460 -0.026 0.000 1.256 40 W HN 0.469 nan 8.180 nan 0.000 0.461 41 I N 2.305 122.851 120.570 -0.039 0.000 2.412 41 I HA 0.286 4.455 4.170 -0.000 0.000 0.296 41 I C 1.159 177.275 176.117 -0.001 0.000 0.987 41 I CA -0.652 60.626 61.300 -0.037 0.000 1.180 41 I CB 1.494 39.425 38.000 -0.116 0.000 1.340 41 I HN 0.468 nan 8.210 nan 0.000 0.455 42 G N 4.974 113.765 108.800 -0.014 0.000 3.316 42 G HA2 0.519 4.479 3.960 -0.000 0.000 0.255 42 G HA3 0.519 4.479 3.960 -0.000 0.000 0.255 42 G C 0.023 174.696 174.900 -0.378 0.000 0.880 42 G CA -0.004 45.066 45.100 -0.050 0.000 1.956 42 G HN 0.732 nan 8.290 nan 0.000 0.634 43 A N -0.274 122.358 122.820 -0.314 0.000 2.532 43 A HA 1.068 5.388 4.320 -0.000 0.000 0.290 43 A C 0.144 177.685 177.584 -0.071 0.000 1.143 43 A CA -0.202 51.502 52.037 -0.555 0.000 0.728 43 A CB 1.848 20.714 19.000 -0.224 0.000 1.317 43 A HN 1.687 nan 8.150 nan 0.000 0.414 44 G N -1.288 107.571 108.800 0.099 0.000 2.324 44 G HA2 0.521 4.481 3.960 -0.000 0.000 0.293 44 G HA3 0.521 4.481 3.960 -0.000 0.000 0.293 44 G C 0.684 175.744 174.900 0.266 0.000 1.297 44 G CA 0.778 46.025 45.100 0.245 0.000 0.853 44 G HN 1.876 nan 8.290 nan 0.000 0.535 45 S N -0.402 115.395 115.700 0.162 0.000 2.400 45 S HA -0.184 4.286 4.470 -0.000 0.000 0.232 45 S C 2.047 176.691 174.600 0.073 0.000 1.025 45 S CA 1.805 60.064 58.200 0.098 0.000 0.993 45 S CB -0.260 62.955 63.200 0.025 0.000 0.808 45 S HN 0.759 nan 8.310 nan 0.000 0.478 46 R N -0.205 120.320 120.500 0.042 0.000 2.193 46 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 46 R C 1.178 177.394 176.300 -0.139 0.000 1.110 46 R CA 1.254 57.290 56.100 -0.107 0.000 0.988 46 R CB -0.295 29.853 30.300 -0.253 0.000 0.871 46 R HN 0.586 nan 8.270 nan 0.000 0.458 47 Y N 0.572 120.845 120.300 -0.046 0.000 2.511 47 Y HA 0.143 4.693 4.550 -0.000 0.000 0.279 47 Y C 0.491 176.390 175.900 -0.002 0.000 1.157 47 Y CA 0.075 58.134 58.100 -0.067 0.000 1.300 47 Y CB 0.187 38.484 38.460 -0.272 0.000 1.052 47 Y HN 0.084 nan 8.280 nan 0.000 0.529 48 E N 0.900 121.203 120.200 0.172 0.000 2.385 48 E HA 0.112 4.462 4.350 -0.000 0.000 0.254 48 E C 0.051 176.718 176.600 0.111 0.000 1.228 48 E CA -0.500 56.008 56.400 0.181 0.000 0.956 48 E CB 0.434 30.224 29.700 0.150 0.000 1.116 48 E HN 0.223 nan 8.360 nan 0.000 0.507 49 N N -0.368 118.394 118.700 0.103 0.000 2.966 49 N HA 0.014 4.754 4.740 -0.000 0.000 0.314 49 N C 0.458 176.001 175.510 0.056 0.000 1.397 49 N CA -0.499 52.592 53.050 0.068 0.000 0.776 49 N CB 1.256 39.785 38.487 0.070 0.000 1.576 49 N HN 0.472 nan 8.380 nan 0.000 0.592 50 E N 0.072 120.298 120.200 0.043 0.000 2.265 50 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 50 E C 0.636 177.262 176.600 0.042 0.000 0.996 50 E CA 1.227 57.650 56.400 0.038 0.000 0.832 50 E CB 0.166 29.884 29.700 0.031 0.000 0.756 50 E HN 0.519 nan 8.360 nan 0.000 0.491 51 K N 0.025 120.453 120.400 0.046 0.000 2.334 51 K HA 0.004 4.324 4.320 -0.000 0.000 0.195 51 K C 1.275 177.905 176.600 0.051 0.000 1.045 51 K CA 0.675 56.990 56.287 0.046 0.000 1.004 51 K CB 0.284 32.807 32.500 0.037 0.000 0.837 51 K HN 0.042 nan 8.250 nan 0.000 0.510 52 N N 0.189 118.927 118.700 0.062 0.000 2.187 52 N HA -0.070 4.670 4.740 -0.000 0.000 0.212 52 N C -0.564 174.979 175.510 0.056 0.000 1.152 52 N CA -0.219 52.869 53.050 0.063 0.000 0.872 52 N CB -0.385 38.164 38.487 0.104 0.000 1.025 52 N HN 0.055 nan 8.380 nan 0.000 0.514 53 N N 0.638 119.371 118.700 0.055 0.000 2.365 53 N HA 0.132 4.871 4.740 -0.000 0.000 0.265 53 N C 0.679 176.208 175.510 0.033 0.000 1.288 53 N CA 1.299 54.373 53.050 0.041 0.000 0.869 53 N CB -0.002 38.505 38.487 0.033 0.000 1.071 53 N HN 0.461 nan 8.380 nan 0.000 0.480 54 G N 1.873 110.686 108.800 0.021 0.000 2.179 54 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 54 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 54 G C 0.775 175.721 174.900 0.077 0.000 0.990 54 G CA 0.390 45.525 45.100 0.060 0.000 0.646 54 G HN 0.839 nan 8.290 nan 0.000 0.517 55 A N 0.651 123.424 122.820 -0.078 0.000 1.841 55 A HA 0.362 4.682 4.320 -0.000 0.000 0.214 55 A C 2.833 180.120 177.584 -0.494 0.000 1.195 55 A CA 2.376 54.263 52.037 -0.251 0.000 0.611 55 A CB -1.180 17.620 19.000 -0.333 0.000 0.835 55 A HN 1.615 nan 8.150 nan 0.000 0.443 56 G N -2.107 106.143 108.800 -0.917 0.000 2.485 56 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.221 56 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.221 56 G C 1.504 176.361 174.900 -0.071 0.000 1.115 56 G CA 1.427 46.092 45.100 -0.724 0.000 0.751 56 G HN 0.569 nan 8.290 nan 0.000 0.567 57 Y N -0.265 119.976 120.300 -0.099 0.000 2.269 57 Y HA 0.235 4.785 4.550 -0.000 0.000 0.294 57 Y C 2.236 178.193 175.900 0.095 0.000 1.120 57 Y CA 0.388 58.502 58.100 0.023 0.000 1.159 57 Y CB -0.303 38.155 38.460 -0.004 0.000 1.024 57 Y HN 0.187 nan 8.280 nan 0.000 0.532 58 F N -1.033 118.867 119.950 -0.083 0.000 2.216 58 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 58 F C 2.115 177.841 175.800 -0.123 0.000 1.085 58 F CA 1.033 58.934 58.000 -0.165 0.000 1.326 58 F CB -0.017 38.901 39.000 -0.137 0.000 1.027 58 F HN -0.139 nan 8.300 nan 0.000 0.497 59 V N -0.179 119.810 119.914 0.124 0.000 2.548 59 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 59 V C 2.194 178.334 176.094 0.077 0.000 1.055 59 V CA 1.916 64.263 62.300 0.078 0.000 1.065 59 V CB -0.371 31.486 31.823 0.056 0.000 0.681 59 V HN 0.346 nan 8.190 nan 0.000 0.462 60 E N -0.709 119.530 120.200 0.066 0.000 2.150 60 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 60 E C 2.044 178.539 176.600 -0.174 0.000 0.985 60 E CA 1.048 57.444 56.400 -0.007 0.000 0.814 60 E CB -0.088 29.558 29.700 -0.091 0.000 0.752 60 E HN 0.710 nan 8.360 nan 0.000 0.466 61 H N -0.576 118.340 119.070 -0.255 0.000 2.524 61 H HA -0.003 4.553 4.556 -0.000 0.000 0.282 61 H C 1.888 177.129 175.328 -0.145 0.000 1.016 61 H CA 0.722 56.636 56.048 -0.224 0.000 1.270 61 H CB 0.487 30.076 29.762 -0.289 0.000 1.394 61 H HN 0.227 nan 8.280 nan 0.000 0.568 62 L N -0.750 120.454 121.223 -0.031 0.000 2.470 62 L HA 0.178 4.518 4.340 -0.000 0.000 0.219 62 L C 2.727 179.449 176.870 -0.247 0.000 1.071 62 L CA 0.371 55.167 54.840 -0.074 0.000 0.850 62 L CB -0.088 41.967 42.059 -0.007 0.000 1.040 62 L HN 0.076 nan 8.230 nan 0.000 0.475 63 A N 0.566 123.137 122.820 -0.416 0.000 2.054 63 A HA -0.234 4.086 4.320 -0.000 0.000 0.223 63 A C 1.882 178.968 177.584 -0.830 0.000 1.169 63 A CA 1.917 53.495 52.037 -0.765 0.000 0.655 63 A CB -0.741 17.517 19.000 -1.237 0.000 0.812 63 A HN 0.485 nan 8.150 nan 0.000 0.462 64 F N -1.506 118.211 119.950 -0.389 0.000 2.720 64 F HA 0.138 4.665 4.527 -0.000 0.000 0.301 64 F C 1.046 176.692 175.800 -0.257 0.000 1.103 64 F CA -0.232 57.541 58.000 -0.379 0.000 1.291 64 F CB 0.510 39.337 39.000 -0.287 0.000 1.086 64 F HN -0.107 nan 8.300 nan 0.000 0.592 65 K N 1.607 121.969 120.400 -0.064 0.000 2.790 65 K HA 0.302 4.622 4.320 -0.000 0.000 0.229 65 K C 0.553 177.101 176.600 -0.085 0.000 1.040 65 K CA 0.212 56.485 56.287 -0.023 0.000 1.211 65 K CB -0.738 31.758 32.500 -0.007 0.000 1.002 65 K HN 0.289 nan 8.250 nan 0.000 0.479 66 G N 0.821 109.466 108.800 -0.258 0.000 2.719 66 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.686 66 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.686 66 G C -0.032 174.711 174.900 -0.262 0.000 1.201 66 G CA -0.339 44.607 45.100 -0.257 0.000 0.768 66 G HN 0.295 nan 8.290 nan 0.000 0.629 67 T N -1.276 113.148 114.554 -0.216 0.000 2.892 67 T HA 0.679 5.029 4.350 -0.000 0.000 0.280 67 T C 1.456 176.127 174.700 -0.049 0.000 1.004 67 T CA 0.252 62.271 62.100 -0.135 0.000 0.950 67 T CB 1.625 70.430 68.868 -0.106 0.000 1.309 67 T HN 0.623 nan 8.240 nan 0.000 0.592 68 K N -0.206 120.177 120.400 -0.029 0.000 2.116 68 K HA 0.075 4.395 4.320 -0.000 0.000 0.203 68 K C 2.370 178.977 176.600 0.010 0.000 1.052 68 K CA 0.591 56.873 56.287 -0.008 0.000 0.952 68 K CB -0.095 32.401 32.500 -0.007 0.000 0.729 68 K HN 0.518 nan 8.250 nan 0.000 0.446 69 K N 1.421 121.832 120.400 0.019 0.000 2.097 69 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 69 K C 0.291 176.920 176.600 0.048 0.000 1.050 69 K CA 0.975 57.282 56.287 0.033 0.000 0.938 69 K CB 0.287 32.811 32.500 0.040 0.000 0.718 69 K HN 0.060 nan 8.250 nan 0.000 0.442 70 R N 0.862 121.404 120.500 0.071 0.000 2.539 70 R HA 0.330 4.670 4.340 -0.000 0.000 0.295 70 R C -2.956 173.411 176.300 0.113 0.000 1.138 70 R CA -1.864 54.296 56.100 0.099 0.000 0.936 70 R CB 1.330 31.715 30.300 0.141 0.000 1.182 70 R HN -0.114 nan 8.270 nan 0.000 0.459 71 P HA -0.156 nan 4.420 nan 0.000 0.271 71 P C 0.861 178.226 177.300 0.108 0.000 1.228 71 P CA -0.272 62.866 63.100 0.063 0.000 0.797 71 P CB 0.717 32.444 31.700 0.045 0.000 0.914 72 C N 1.676 121.025 119.300 0.082 0.000 2.323 72 C HA -0.287 4.173 4.460 -0.000 0.000 0.276 72 C C 3.004 178.082 174.990 0.148 0.000 1.151 72 C CA 3.093 62.179 59.018 0.113 0.000 1.789 72 C CB -1.908 25.872 27.740 0.068 0.000 1.921 72 C HN 0.714 nan 8.230 nan 0.000 0.417 73 A N 0.369 123.244 122.820 0.092 0.000 1.896 73 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 73 A C 2.482 180.113 177.584 0.078 0.000 1.206 73 A CA 3.692 55.773 52.037 0.072 0.000 0.647 73 A CB -1.517 17.511 19.000 0.046 0.000 0.828 73 A HN 1.219 nan 8.150 nan 0.000 0.455 74 A N -1.466 121.405 122.820 0.085 0.000 1.873 74 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 74 A C 2.096 179.733 177.584 0.088 0.000 1.193 74 A CA 1.904 53.986 52.037 0.075 0.000 0.629 74 A CB -0.837 18.212 19.000 0.081 0.000 0.826 74 A HN 0.770 nan 8.150 nan 0.000 0.447 75 F N 0.897 120.861 119.950 0.024 0.000 2.046 75 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 75 F C 2.352 178.177 175.800 0.042 0.000 1.123 75 F CA 2.366 60.390 58.000 0.039 0.000 1.199 75 F CB -0.470 38.567 39.000 0.061 0.000 0.972 75 F HN 0.390 nan 8.300 nan 0.000 0.474 76 E N 0.091 120.346 120.200 0.093 0.000 2.038 76 E HA -0.316 4.034 4.350 -0.000 0.000 0.195 76 E C 2.239 178.783 176.600 -0.094 0.000 1.000 76 E CA 1.671 58.066 56.400 -0.008 0.000 0.803 76 E CB -0.409 29.340 29.700 0.082 0.000 0.750 76 E HN 0.394 nan 8.360 nan 0.000 0.448 77 K N 1.167 121.538 120.400 -0.048 0.000 2.113 77 K HA -0.258 4.062 4.320 -0.000 0.000 0.208 77 K C 2.125 178.667 176.600 -0.096 0.000 1.047 77 K CA 1.704 57.959 56.287 -0.054 0.000 0.928 77 K CB -0.005 32.481 32.500 -0.024 0.000 0.716 77 K HN 0.080 nan 8.250 nan 0.000 0.446 78 E N -0.160 119.953 120.200 -0.145 0.000 2.106 78 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 78 E C 1.682 178.153 176.600 -0.215 0.000 0.984 78 E CA 1.067 57.364 56.400 -0.170 0.000 0.806 78 E CB 0.237 29.824 29.700 -0.188 0.000 0.750 78 E HN 0.162 nan 8.360 nan 0.000 0.458 79 V N 0.994 120.729 119.914 -0.297 0.000 2.346 79 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 79 V C 2.097 178.101 176.094 -0.150 0.000 1.037 79 V CA 1.854 63.994 62.300 -0.267 0.000 1.029 79 V CB -0.536 31.091 31.823 -0.327 0.000 0.663 79 V HN 0.236 nan 8.190 nan 0.000 0.454 80 E N 1.246 121.378 120.200 -0.113 0.000 2.049 80 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 80 E C 2.312 178.878 176.600 -0.057 0.000 1.007 80 E CA 1.960 58.325 56.400 -0.057 0.000 0.809 80 E CB -0.316 29.360 29.700 -0.041 0.000 0.749 80 E HN 0.721 nan 8.360 nan 0.000 0.450 81 S N 0.923 116.583 115.700 -0.067 0.000 2.465 81 S HA -0.184 4.286 4.470 -0.000 0.000 0.241 81 S C 1.910 176.472 174.600 -0.064 0.000 1.000 81 S CA 1.411 59.577 58.200 -0.058 0.000 0.964 81 S CB -0.483 62.684 63.200 -0.056 0.000 0.763 81 S HN 0.367 nan 8.310 nan 0.000 0.512 82 M N -1.196 118.354 119.600 -0.083 0.000 2.383 82 M HA 0.556 5.036 4.480 -0.000 0.000 0.247 82 M C 1.288 177.533 176.300 -0.091 0.000 1.117 82 M CA 0.334 55.582 55.300 -0.086 0.000 0.995 82 M CB 0.007 32.545 32.600 -0.103 0.000 1.480 82 M HN 0.285 nan 8.290 nan 0.000 0.485 83 G N 1.458 110.208 108.800 -0.084 0.000 2.155 83 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.257 83 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.257 83 G C 0.167 174.963 174.900 -0.173 0.000 0.983 83 G CA 0.238 45.277 45.100 -0.101 0.000 0.676 83 G HN 0.955 nan 8.290 nan 0.000 0.528 84 A N -0.190 122.545 122.820 -0.141 0.000 2.340 84 A HA 0.705 5.025 4.320 -0.000 0.000 0.268 84 A C 0.042 177.604 177.584 -0.037 0.000 1.100 84 A CA -0.270 51.673 52.037 -0.156 0.000 0.803 84 A CB 0.428 19.333 19.000 -0.157 0.000 1.043 84 A HN 0.587 nan 8.150 nan 0.000 0.488 85 H N 0.699 119.745 119.070 -0.040 0.000 2.504 85 H HA 0.400 4.956 4.556 -0.000 0.000 0.322 85 H C -1.490 173.845 175.328 0.012 0.000 1.055 85 H CA -0.409 55.633 56.048 -0.009 0.000 1.231 85 H CB 1.318 31.100 29.762 0.033 0.000 1.417 85 H HN 0.538 nan 8.280 nan 0.000 0.472 86 F N 3.372 123.258 119.950 -0.106 0.000 2.411 86 F HA 0.336 4.863 4.527 -0.000 0.000 0.352 86 F C -0.419 175.088 175.800 -0.488 0.000 1.123 86 F CA -0.961 56.862 58.000 -0.295 0.000 1.044 86 F CB 0.893 39.644 39.000 -0.416 0.000 1.135 86 F HN 0.591 nan 8.300 nan 0.000 0.461 87 N N 2.056 120.727 118.700 -0.048 0.000 2.647 87 N HA 0.825 5.565 4.740 -0.000 0.000 0.266 87 N C -0.966 174.317 175.510 -0.379 0.000 1.373 87 N CA -0.202 52.656 53.050 -0.319 0.000 0.807 87 N CB 2.355 40.669 38.487 -0.288 0.000 1.513 87 N HN 0.823 nan 8.380 nan 0.000 0.505 88 G N -0.805 107.885 108.800 -0.183 0.000 2.441 88 G HA2 0.475 4.435 3.960 -0.000 0.000 0.294 88 G HA3 0.475 4.435 3.960 -0.000 0.000 0.294 88 G C -2.255 172.590 174.900 -0.091 0.000 1.393 88 G CA -0.317 44.625 45.100 -0.264 0.000 0.796 88 G HN 0.787 nan 8.290 nan 0.000 0.494 89 Y N -2.558 117.572 120.300 -0.284 0.000 2.764 89 Y HA 0.867 5.417 4.550 -0.000 0.000 0.331 89 Y C -0.752 175.031 175.900 -0.196 0.000 1.280 89 Y CA -0.911 57.102 58.100 -0.146 0.000 1.065 89 Y CB 1.529 39.988 38.460 -0.001 0.000 1.319 89 Y HN 1.050 nan 8.280 nan 0.000 0.453 90 T N 1.154 115.881 114.554 0.289 0.000 3.172 90 T HA 0.607 4.957 4.350 -0.000 0.000 0.320 90 T C -0.821 174.059 174.700 0.300 0.000 1.085 90 T CA 0.178 62.402 62.100 0.207 0.000 1.052 90 T CB 0.787 69.739 68.868 0.139 0.000 1.107 90 T HN 1.410 nan 8.240 nan 0.000 0.458 91 S N 4.496 120.372 115.700 0.294 0.000 2.702 91 S HA 0.574 5.044 4.470 -0.000 0.000 0.272 91 S C 1.212 175.913 174.600 0.168 0.000 1.068 91 S CA -0.858 57.472 58.200 0.217 0.000 0.964 91 S CB 0.951 64.314 63.200 0.271 0.000 1.307 91 S HN 0.728 nan 8.310 nan 0.000 0.567 92 R N 0.291 120.883 120.500 0.153 0.000 2.100 92 R HA 0.256 4.596 4.340 -0.000 0.000 0.220 92 R C 1.138 177.524 176.300 0.145 0.000 1.091 92 R CA 1.054 57.197 56.100 0.071 0.000 0.986 92 R CB -0.091 30.157 30.300 -0.086 0.000 0.888 92 R HN 0.680 nan 8.270 nan 0.000 0.444 93 E N -0.386 119.966 120.200 0.253 0.000 2.714 93 E HA 0.094 4.444 4.350 -0.000 0.000 0.219 93 E C -0.596 176.217 176.600 0.355 0.000 0.979 93 E CA -0.078 56.546 56.400 0.373 0.000 1.092 93 E CB 1.142 31.062 29.700 0.367 0.000 1.049 93 E HN 0.072 nan 8.360 nan 0.000 0.487 94 Q N 0.439 120.417 119.800 0.297 0.000 2.320 94 Q HA 0.307 4.647 4.340 -0.000 0.000 0.272 94 Q C -1.519 174.583 176.000 0.171 0.000 1.023 94 Q CA -0.349 55.602 55.803 0.247 0.000 0.855 94 Q CB 2.250 31.194 28.738 0.344 0.000 1.367 94 Q HN -0.052 nan 8.270 nan 0.000 0.406 95 T N 1.109 115.647 114.554 -0.028 0.000 2.916 95 T HA 0.959 5.309 4.350 -0.000 0.000 0.292 95 T C -1.464 172.818 174.700 -0.696 0.000 1.055 95 T CA -0.397 61.507 62.100 -0.326 0.000 1.009 95 T CB 1.732 70.483 68.868 -0.194 0.000 1.118 95 T HN 0.705 nan 8.240 nan 0.000 0.497 96 A N 1.625 123.697 122.820 -1.246 0.000 2.566 96 A HA 0.787 5.107 4.320 -0.000 0.000 0.297 96 A C -2.042 174.753 177.584 -1.315 0.000 1.059 96 A CA -0.777 50.454 52.037 -1.343 0.000 0.691 96 A CB 1.041 19.009 19.000 -1.719 0.000 1.282 96 A HN 0.698 nan 8.150 nan 0.000 0.401 97 F N 1.880 121.513 119.950 -0.529 0.000 2.539 97 F HA 0.608 5.135 4.527 -0.000 0.000 0.328 97 F C -0.411 175.360 175.800 -0.049 0.000 1.148 97 F CA -0.358 57.522 58.000 -0.201 0.000 0.940 97 F CB 1.836 40.781 39.000 -0.092 0.000 1.194 97 F HN 0.675 nan 8.300 nan 0.000 0.438 98 Y N 1.276 121.715 120.300 0.232 0.000 2.581 98 Y HA 0.904 5.454 4.550 -0.000 0.000 0.345 98 Y C -1.474 174.561 175.900 0.226 0.000 1.036 98 Y CA -1.970 56.211 58.100 0.135 0.000 1.042 98 Y CB 1.444 39.908 38.460 0.008 0.000 1.289 98 Y HN 0.384 nan 8.280 nan 0.000 0.471 99 I N 2.090 122.791 120.570 0.219 0.000 2.689 99 I HA 0.438 4.608 4.170 -0.000 0.000 0.299 99 I C -1.032 175.171 176.117 0.144 0.000 1.059 99 I CA -1.221 60.099 61.300 0.033 0.000 1.055 99 I CB 2.534 40.343 38.000 -0.319 0.000 1.243 99 I HN 0.593 nan 8.210 nan 0.000 0.425 100 K N 4.506 124.979 120.400 0.122 0.000 2.339 100 K HA 0.819 5.139 4.320 -0.000 0.000 0.264 100 K C -0.850 175.720 176.600 -0.050 0.000 0.986 100 K CA -0.303 56.036 56.287 0.087 0.000 0.866 100 K CB 2.207 34.802 32.500 0.158 0.000 1.103 100 K HN 0.730 nan 8.250 nan 0.000 0.441 101 A N 2.950 125.737 122.820 -0.055 0.000 2.534 101 A HA 0.604 4.924 4.320 -0.000 0.000 0.300 101 A C -1.414 176.131 177.584 -0.065 0.000 1.223 101 A CA -0.860 51.121 52.037 -0.094 0.000 0.666 101 A CB 0.635 19.576 19.000 -0.099 0.000 1.316 101 A HN 0.553 nan 8.150 nan 0.000 0.468 102 L N 0.876 122.059 121.223 -0.067 0.000 2.371 102 L HA 0.277 4.617 4.340 -0.000 0.000 0.272 102 L C 1.434 178.283 176.870 -0.034 0.000 1.124 102 L CA -0.391 54.421 54.840 -0.047 0.000 0.816 102 L CB 1.180 43.210 42.059 -0.048 0.000 1.129 102 L HN 0.794 nan 8.230 nan 0.000 0.448 103 S N 0.798 116.485 115.700 -0.021 0.000 2.420 103 S HA -0.215 4.255 4.470 -0.000 0.000 0.237 103 S C 1.818 176.408 174.600 -0.016 0.000 1.023 103 S CA 1.355 59.548 58.200 -0.012 0.000 0.991 103 S CB -0.241 62.956 63.200 -0.005 0.000 0.792 103 S HN 0.651 nan 8.310 nan 0.000 0.488 104 K N 1.217 121.604 120.400 -0.022 0.000 2.160 104 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 104 K C 0.473 177.055 176.600 -0.030 0.000 1.047 104 K CA 1.683 57.956 56.287 -0.024 0.000 0.930 104 K CB -0.105 32.379 32.500 -0.027 0.000 0.720 104 K HN 0.327 nan 8.250 nan 0.000 0.450 105 D N 0.599 120.975 120.400 -0.040 0.000 2.340 105 D HA -0.075 4.565 4.640 -0.000 0.000 0.217 105 D C 1.576 177.844 176.300 -0.053 0.000 1.081 105 D CA -0.017 53.951 54.000 -0.052 0.000 0.842 105 D CB 0.205 40.963 40.800 -0.071 0.000 0.934 105 D HN 0.276 nan 8.370 nan 0.000 0.511 106 M N 2.248 121.828 119.600 -0.034 0.000 2.124 106 M HA -0.156 4.324 4.480 -0.000 0.000 0.253 106 M C -1.197 175.084 176.300 -0.032 0.000 1.077 106 M CA 2.052 57.339 55.300 -0.022 0.000 1.085 106 M CB -1.244 31.355 32.600 -0.001 0.000 1.320 106 M HN -0.041 nan 8.290 nan 0.000 0.404 107 P HA -0.130 nan 4.420 nan 0.000 0.217 107 P C 1.254 178.497 177.300 -0.096 0.000 1.154 107 P CA 1.573 64.651 63.100 -0.037 0.000 0.841 107 P CB -0.338 31.359 31.700 -0.006 0.000 0.788 108 K N 0.567 120.912 120.400 -0.093 0.000 2.147 108 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 108 K C 1.911 178.411 176.600 -0.167 0.000 1.049 108 K CA 1.134 57.345 56.287 -0.127 0.000 0.936 108 K CB -1.074 31.366 32.500 -0.100 0.000 0.722 108 K HN -0.129 nan 8.250 nan 0.000 0.446 109 V N 0.063 119.891 119.914 -0.144 0.000 2.223 109 V HA -0.248 3.872 4.120 -0.000 0.000 0.244 109 V C 2.231 178.226 176.094 -0.165 0.000 1.045 109 V CA 1.855 64.059 62.300 -0.160 0.000 1.000 109 V CB -0.553 31.200 31.823 -0.118 0.000 0.635 109 V HN 0.165 nan 8.190 nan 0.000 0.445 110 V N 0.173 120.007 119.914 -0.132 0.000 2.363 110 V HA -0.374 3.746 4.120 -0.000 0.000 0.254 110 V C 2.478 178.369 176.094 -0.339 0.000 1.074 110 V CA 2.527 64.746 62.300 -0.135 0.000 1.069 110 V CB -0.731 31.048 31.823 -0.074 0.000 0.659 110 V HN 0.709 nan 8.190 nan 0.000 0.455 111 E N -0.224 119.669 120.200 -0.512 0.000 2.072 111 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 111 E C 2.250 178.649 176.600 -0.335 0.000 0.985 111 E CA 1.077 57.016 56.400 -0.767 0.000 0.801 111 E CB -0.065 29.186 29.700 -0.749 0.000 0.750 111 E HN 0.599 nan 8.360 nan 0.000 0.452 112 L N 0.666 121.773 121.223 -0.194 0.000 2.017 112 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 112 L C 2.608 179.506 176.870 0.047 0.000 1.073 112 L CA 0.804 55.632 54.840 -0.020 0.000 0.745 112 L CB -0.433 41.581 42.059 -0.074 0.000 0.894 112 L HN 0.238 nan 8.230 nan 0.000 0.432 113 L N -0.222 120.988 121.223 -0.022 0.000 1.944 113 L HA -0.284 4.056 4.340 -0.000 0.000 0.218 113 L C 2.896 179.818 176.870 0.087 0.000 1.075 113 L CA 1.568 56.461 54.840 0.088 0.000 0.767 113 L CB -0.888 41.248 42.059 0.129 0.000 0.890 113 L HN 0.269 nan 8.230 nan 0.000 0.434 114 A N -0.369 122.426 122.820 -0.042 0.000 1.997 114 A HA -0.345 3.975 4.320 -0.000 0.000 0.221 114 A C 1.917 179.483 177.584 -0.031 0.000 1.172 114 A CA 2.431 54.389 52.037 -0.131 0.000 0.645 114 A CB -0.828 17.652 19.000 -0.868 0.000 0.813 114 A HN 0.568 nan 8.150 nan 0.000 0.454 115 D N -0.913 119.462 120.400 -0.042 0.000 2.144 115 D HA -0.083 4.557 4.640 -0.000 0.000 0.200 115 D C 1.790 178.079 176.300 -0.017 0.000 0.978 115 D CA 1.334 55.332 54.000 -0.003 0.000 0.833 115 D CB -0.025 40.797 40.800 0.037 0.000 0.961 115 D HN 0.184 nan 8.370 nan 0.000 0.470 116 V N 0.385 120.290 119.914 -0.015 0.000 2.270 116 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 116 V C 2.714 178.692 176.094 -0.192 0.000 1.043 116 V CA 1.720 63.934 62.300 -0.144 0.000 1.014 116 V CB -0.654 31.111 31.823 -0.096 0.000 0.645 116 V HN 0.333 nan 8.190 nan 0.000 0.447 117 V N -1.632 118.206 119.914 -0.128 0.000 2.548 117 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 117 V C 1.975 178.133 176.094 0.107 0.000 1.055 117 V CA 1.866 64.114 62.300 -0.086 0.000 1.065 117 V CB -0.726 31.042 31.823 -0.092 0.000 0.681 117 V HN 0.577 nan 8.190 nan 0.000 0.462 118 Q N 0.294 120.152 119.800 0.096 0.000 2.339 118 Q HA 0.182 4.522 4.340 -0.000 0.000 0.205 118 Q C 0.851 176.884 176.000 0.055 0.000 0.925 118 Q CA 0.838 56.705 55.803 0.107 0.000 0.898 118 Q CB 0.172 28.982 28.738 0.120 0.000 1.013 118 Q HN 0.649 nan 8.270 nan 0.000 0.504 119 N N 0.054 118.761 118.700 0.013 0.000 2.351 119 N HA 0.085 4.825 4.740 -0.000 0.000 0.254 119 N C -0.758 174.722 175.510 -0.049 0.000 1.241 119 N CA -0.082 52.962 53.050 -0.010 0.000 0.883 119 N CB 0.760 39.243 38.487 -0.007 0.000 1.202 119 N HN 0.115 nan 8.380 nan 0.000 0.512 120 C N 1.366 120.627 119.300 -0.066 0.000 2.437 120 C HA 0.086 4.546 4.460 -0.000 0.000 0.399 120 C C 2.201 177.143 174.990 -0.079 0.000 1.478 120 C CA 0.054 59.006 59.018 -0.110 0.000 1.538 120 C CB -0.586 27.094 27.740 -0.099 0.000 2.506 120 C HN 0.614 nan 8.230 nan 0.000 0.603 121 A N 5.304 128.068 122.820 -0.093 0.000 1.902 121 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 121 A C 1.524 179.079 177.584 -0.049 0.000 1.181 121 A CA 1.500 53.501 52.037 -0.060 0.000 0.623 121 A CB -0.584 18.381 19.000 -0.057 0.000 0.818 121 A HN 1.374 nan 8.150 nan 0.000 0.443 122 L N -0.931 120.259 121.223 -0.055 0.000 3.597 122 L HA -0.181 4.159 4.340 -0.000 0.000 0.440 122 L C -0.038 176.812 176.870 -0.034 0.000 1.277 122 L CA 0.072 54.884 54.840 -0.047 0.000 0.852 122 L CB -1.863 40.164 42.059 -0.054 0.000 1.708 122 L HN 0.560 nan 8.230 nan 0.000 0.885 123 E N 0.688 120.874 120.200 -0.024 0.000 2.493 123 E HA -0.024 4.326 4.350 -0.000 0.000 0.255 123 E C 1.069 177.666 176.600 -0.006 0.000 0.999 123 E CA 0.382 56.775 56.400 -0.012 0.000 0.934 123 E CB 1.029 30.726 29.700 -0.005 0.000 0.940 123 E HN 0.266 nan 8.360 nan 0.000 0.473 124 E N 2.479 122.673 120.200 -0.009 0.000 2.130 124 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 124 E C 1.495 178.100 176.600 0.008 0.000 0.998 124 E CA 1.906 58.302 56.400 -0.007 0.000 0.806 124 E CB -0.068 29.627 29.700 -0.009 0.000 0.738 124 E HN 0.587 nan 8.360 nan 0.000 0.459 125 S N -0.712 114.995 115.700 0.011 0.000 2.406 125 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 125 S C 2.047 176.663 174.600 0.028 0.000 1.020 125 S CA 0.977 59.187 58.200 0.017 0.000 0.965 125 S CB -0.234 62.974 63.200 0.014 0.000 0.798 125 S HN 0.199 nan 8.310 nan 0.000 0.488 126 Q N 1.605 121.423 119.800 0.029 0.000 2.049 126 Q HA 0.146 4.486 4.340 -0.000 0.000 0.198 126 Q C 1.941 177.987 176.000 0.077 0.000 0.971 126 Q CA 1.615 57.443 55.803 0.042 0.000 0.833 126 Q CB -0.653 28.105 28.738 0.032 0.000 0.896 126 Q HN 0.676 nan 8.270 nan 0.000 0.434 127 I N 0.851 121.476 120.570 0.091 0.000 2.248 127 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 127 I C 1.787 178.022 176.117 0.197 0.000 1.107 127 I CA 1.225 62.635 61.300 0.183 0.000 1.373 127 I CB -0.301 37.731 38.000 0.053 0.000 1.055 127 I HN 0.240 nan 8.210 nan 0.000 0.418 128 E N 0.561 120.822 120.200 0.102 0.000 2.274 128 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 128 E C 1.941 178.574 176.600 0.054 0.000 0.996 128 E CA 0.815 57.263 56.400 0.081 0.000 0.840 128 E CB -0.131 29.597 29.700 0.047 0.000 0.772 128 E HN 0.488 nan 8.360 nan 0.000 0.491 129 K N 0.619 121.047 120.400 0.046 0.000 2.128 129 K HA -0.052 4.268 4.320 -0.000 0.000 0.202 129 K C 1.550 178.143 176.600 -0.013 0.000 1.050 129 K CA 0.510 56.808 56.287 0.018 0.000 0.966 129 K CB 0.349 32.862 32.500 0.022 0.000 0.759 129 K HN -0.149 nan 8.250 nan 0.000 0.454 130 E N 0.844 121.037 120.200 -0.013 0.000 2.268 130 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 130 E C 1.837 178.221 176.600 -0.361 0.000 0.995 130 E CA 0.686 57.005 56.400 -0.134 0.000 0.836 130 E CB -0.052 29.589 29.700 -0.099 0.000 0.763 130 E HN 0.312 nan 8.360 nan 0.000 0.491 131 R N 0.549 120.927 120.500 -0.203 0.000 2.081 131 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 131 R C 2.300 178.493 176.300 -0.177 0.000 1.131 131 R CA 1.717 57.696 56.100 -0.202 0.000 0.960 131 R CB -0.520 29.823 30.300 0.073 0.000 0.856 131 R HN 0.177 nan 8.270 nan 0.000 0.436 132 G N -0.087 108.652 108.800 -0.101 0.000 2.403 132 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.216 132 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.216 132 G C 1.387 176.234 174.900 -0.088 0.000 1.154 132 G CA 0.681 45.736 45.100 -0.074 0.000 0.784 132 G HN 0.215 nan 8.290 nan 0.000 0.538 133 V N 1.289 121.141 119.914 -0.103 0.000 2.261 133 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 133 V C 2.800 178.832 176.094 -0.102 0.000 1.047 133 V CA 1.532 63.790 62.300 -0.068 0.000 1.015 133 V CB -0.383 31.431 31.823 -0.015 0.000 0.642 133 V HN 0.388 nan 8.190 nan 0.000 0.446 134 I N -0.423 119.977 120.570 -0.283 0.000 2.208 134 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 134 I C 2.347 178.381 176.117 -0.137 0.000 1.097 134 I CA 1.640 62.758 61.300 -0.302 0.000 1.363 134 I CB -0.390 37.254 38.000 -0.593 0.000 1.051 134 I HN 0.272 nan 8.210 nan 0.000 0.413 135 L N 0.052 121.189 121.223 -0.143 0.000 2.187 135 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 135 L C 2.698 179.536 176.870 -0.053 0.000 1.100 135 L CA 1.057 55.845 54.840 -0.087 0.000 0.765 135 L CB -0.480 41.531 42.059 -0.080 0.000 0.904 135 L HN 0.364 nan 8.230 nan 0.000 0.437 136 Q N -0.032 119.743 119.800 -0.043 0.000 2.096 136 Q HA -0.140 4.200 4.340 -0.000 0.000 0.197 136 Q C 2.003 178.000 176.000 -0.005 0.000 0.964 136 Q CA 1.181 56.972 55.803 -0.020 0.000 0.838 136 Q CB -0.064 28.666 28.738 -0.012 0.000 0.906 136 Q HN 0.574 nan 8.270 nan 0.000 0.444 137 E N 0.413 120.622 120.200 0.014 0.000 2.265 137 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 137 E C 2.061 178.669 176.600 0.014 0.000 0.996 137 E CA 0.385 56.812 56.400 0.045 0.000 0.832 137 E CB 0.002 29.783 29.700 0.134 0.000 0.756 137 E HN 0.275 nan 8.360 nan 0.000 0.491 138 L N 0.779 121.994 121.223 -0.013 0.000 2.044 138 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 138 L C 2.307 179.153 176.870 -0.040 0.000 1.075 138 L CA 1.244 56.059 54.840 -0.042 0.000 0.747 138 L CB -0.275 41.752 42.059 -0.054 0.000 0.903 138 L HN 0.043 nan 8.230 nan 0.000 0.435 139 K N 0.018 120.400 120.400 -0.030 0.000 2.147 139 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 139 K C 1.942 178.528 176.600 -0.024 0.000 1.049 139 K CA 1.241 57.513 56.287 -0.026 0.000 0.936 139 K CB -0.016 32.472 32.500 -0.020 0.000 0.722 139 K HN 0.376 nan 8.250 nan 0.000 0.446 140 E N 0.686 120.876 120.200 -0.017 0.000 2.028 140 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 140 E C 1.951 178.536 176.600 -0.025 0.000 0.988 140 E CA 1.243 57.635 56.400 -0.014 0.000 0.799 140 E CB -0.080 29.619 29.700 -0.001 0.000 0.755 140 E HN 0.253 nan 8.360 nan 0.000 0.447 141 M N 0.905 120.486 119.600 -0.032 0.000 2.446 141 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 141 M C 1.441 177.696 176.300 -0.075 0.000 1.066 141 M CA 0.888 56.156 55.300 -0.053 0.000 1.087 141 M CB -0.078 32.482 32.600 -0.066 0.000 1.406 141 M HN -0.023 nan 8.290 nan 0.000 0.459 142 D N 0.715 121.075 120.400 -0.068 0.000 2.269 142 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 142 D C 1.176 177.434 176.300 -0.070 0.000 0.963 142 D CA 0.879 54.833 54.000 -0.077 0.000 0.864 142 D CB 0.047 40.814 40.800 -0.055 0.000 0.936 142 D HN 0.225 nan 8.370 nan 0.000 0.505 143 N N 0.483 119.151 118.700 -0.053 0.000 2.313 143 N HA -0.031 4.709 4.740 -0.000 0.000 0.207 143 N C -0.501 174.977 175.510 -0.053 0.000 1.141 143 N CA 0.172 53.195 53.050 -0.045 0.000 0.830 143 N CB 0.478 38.950 38.487 -0.025 0.000 1.008 143 N HN 0.139 nan 8.380 nan 0.000 0.481 144 D N 1.228 121.585 120.400 -0.073 0.000 2.505 144 D HA 0.130 4.770 4.640 -0.000 0.000 0.242 144 D C 1.412 177.633 176.300 -0.130 0.000 1.136 144 D CA -0.403 53.553 54.000 -0.072 0.000 0.954 144 D CB 0.422 41.189 40.800 -0.055 0.000 1.002 144 D HN -0.233 nan 8.370 nan 0.000 0.512 145 M N 1.090 120.565 119.600 -0.209 0.000 2.116 145 M HA -0.185 4.295 4.480 -0.000 0.000 0.255 145 M C 1.700 177.770 176.300 -0.384 0.000 1.075 145 M CA 1.463 56.502 55.300 -0.435 0.000 1.087 145 M CB -1.549 30.513 32.600 -0.897 0.000 1.340 145 M HN 0.275 nan 8.290 nan 0.000 0.402 146 T N 0.793 115.249 114.554 -0.163 0.000 2.746 146 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 146 T C 1.734 176.483 174.700 0.082 0.000 1.039 146 T CA 1.416 63.574 62.100 0.096 0.000 1.142 146 T CB -0.230 68.737 68.868 0.165 0.000 0.866 146 T HN 0.363 nan 8.240 nan 0.000 0.444 147 N N 0.680 119.365 118.700 -0.025 0.000 2.333 147 N HA 0.027 4.767 4.740 -0.000 0.000 0.178 147 N C 1.995 177.454 175.510 -0.086 0.000 1.018 147 N CA 0.493 53.517 53.050 -0.043 0.000 0.882 147 N CB -0.360 38.068 38.487 -0.099 0.000 0.984 147 N HN 0.193 nan 8.380 nan 0.000 0.434 148 V N 1.341 121.152 119.914 -0.171 0.000 2.392 148 V HA -0.214 3.906 4.120 -0.000 0.000 0.249 148 V C 2.194 178.074 176.094 -0.357 0.000 1.059 148 V CA 1.744 63.836 62.300 -0.346 0.000 1.051 148 V CB -0.877 30.743 31.823 -0.339 0.000 0.658 148 V HN 0.333 nan 8.190 nan 0.000 0.455 149 T N -0.227 114.257 114.554 -0.115 0.000 2.737 149 T HA -0.122 4.227 4.350 -0.000 0.000 0.265 149 T C 1.655 176.352 174.700 -0.005 0.000 1.038 149 T CA 1.584 63.682 62.100 -0.002 0.000 1.144 149 T CB -0.366 68.533 68.868 0.053 0.000 0.866 149 T HN 0.373 nan 8.240 nan 0.000 0.434 150 F N 1.626 121.535 119.950 -0.067 0.000 2.293 150 F HA -0.029 4.498 4.527 -0.000 0.000 0.300 150 F C 2.260 178.132 175.800 0.119 0.000 1.086 150 F CA 0.680 58.680 58.000 0.001 0.000 1.375 150 F CB -0.323 38.617 39.000 -0.100 0.000 1.045 150 F HN 0.082 nan 8.300 nan 0.000 0.516 151 D N -0.836 119.648 120.400 0.139 0.000 2.084 151 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 151 D C 2.300 178.720 176.300 0.200 0.000 0.985 151 D CA 1.413 55.453 54.000 0.067 0.000 0.826 151 D CB -0.696 40.030 40.800 -0.123 0.000 0.978 151 D HN 0.322 nan 8.370 nan 0.000 0.456 152 Y N 0.252 120.594 120.300 0.070 0.000 2.165 152 Y HA -0.214 4.335 4.550 -0.000 0.000 0.286 152 Y C 2.405 178.327 175.900 0.037 0.000 1.155 152 Y CA -0.056 58.065 58.100 0.035 0.000 1.164 152 Y CB -0.078 38.380 38.460 -0.002 0.000 0.978 152 Y HN -0.018 nan 8.280 nan 0.000 0.513 153 L N -0.101 121.245 121.223 0.206 0.000 2.042 153 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 153 L C 1.914 178.835 176.870 0.085 0.000 1.076 153 L CA 2.005 56.889 54.840 0.073 0.000 0.749 153 L CB -0.697 41.341 42.059 -0.036 0.000 0.893 153 L HN 0.150 nan 8.230 nan 0.000 0.432 154 H N -0.709 118.461 119.070 0.167 0.000 2.363 154 H HA 0.078 4.634 4.556 -0.000 0.000 0.301 154 H C 2.220 177.670 175.328 0.203 0.000 1.074 154 H CA 1.392 57.606 56.048 0.278 0.000 1.354 154 H CB -0.489 29.456 29.762 0.304 0.000 1.397 154 H HN 0.472 nan 8.280 nan 0.000 0.516 155 A N -0.620 122.369 122.820 0.282 0.000 1.958 155 A HA -0.258 4.062 4.320 -0.000 0.000 0.221 155 A C 2.405 180.034 177.584 0.075 0.000 1.178 155 A CA 2.506 54.651 52.037 0.179 0.000 0.642 155 A CB -0.875 18.246 19.000 0.201 0.000 0.816 155 A HN 0.491 nan 8.150 nan 0.000 0.453 156 T N -2.121 112.438 114.554 0.009 0.000 3.046 156 T HA 0.341 4.691 4.350 -0.000 0.000 0.242 156 T C 2.003 176.552 174.700 -0.253 0.000 1.018 156 T CA 1.167 63.202 62.100 -0.108 0.000 1.131 156 T CB -0.344 68.448 68.868 -0.127 0.000 0.904 156 T HN 0.508 nan 8.240 nan 0.000 0.459 157 A N 0.151 122.767 122.820 -0.340 0.000 1.978 157 A HA 0.121 4.441 4.320 -0.000 0.000 0.220 157 A C 1.220 178.249 177.584 -0.926 0.000 1.170 157 A CA 1.212 52.781 52.037 -0.779 0.000 0.636 157 A CB -0.641 17.947 19.000 -0.687 0.000 0.810 157 A HN 0.621 nan 8.150 nan 0.000 0.448 158 F N 0.201 120.096 119.950 -0.091 0.000 2.805 158 F HA 0.175 4.702 4.527 -0.000 0.000 0.317 158 F C 0.617 176.404 175.800 -0.023 0.000 1.146 158 F CA -0.723 57.266 58.000 -0.018 0.000 1.265 158 F CB 0.126 39.166 39.000 0.066 0.000 0.992 158 F HN 0.310 nan 8.300 nan 0.000 0.511 159 Q N 0.204 120.021 119.800 0.029 0.000 2.326 159 Q HA 0.217 4.557 4.340 -0.000 0.000 0.314 159 Q C 1.143 177.165 176.000 0.037 0.000 1.091 159 Q CA 0.822 56.636 55.803 0.018 0.000 0.974 159 Q CB 0.371 29.077 28.738 -0.053 0.000 1.220 159 Q HN 0.527 nan 8.270 nan 0.000 0.398 160 G N 1.472 110.295 108.800 0.037 0.000 2.153 160 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.252 160 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.252 160 G C 0.147 175.075 174.900 0.047 0.000 0.994 160 G CA 0.550 45.670 45.100 0.033 0.000 0.698 160 G HN 1.285 nan 8.290 nan 0.000 0.521 161 T N -4.947 109.648 114.554 0.068 0.000 2.804 161 T HA 0.841 5.191 4.350 -0.000 0.000 0.290 161 T C 1.425 176.141 174.700 0.026 0.000 1.099 161 T CA 0.534 62.666 62.100 0.052 0.000 1.011 161 T CB 1.367 70.284 68.868 0.081 0.000 1.291 161 T HN 1.353 nan 8.240 nan 0.000 0.523 162 A N 0.033 122.840 122.820 -0.022 0.000 1.930 162 A HA 0.197 4.517 4.320 -0.000 0.000 0.217 162 A C 2.227 179.765 177.584 -0.076 0.000 1.175 162 A CA 1.035 53.040 52.037 -0.053 0.000 0.627 162 A CB -1.185 17.756 19.000 -0.099 0.000 0.815 162 A HN 0.774 nan 8.150 nan 0.000 0.443 163 L N -0.584 120.554 121.223 -0.142 0.000 2.549 163 L HA -0.111 4.229 4.340 -0.000 0.000 0.229 163 L C 2.601 179.515 176.870 0.075 0.000 1.158 163 L CA 0.491 55.212 54.840 -0.199 0.000 0.842 163 L CB -0.249 41.420 42.059 -0.650 0.000 0.952 163 L HN 0.467 nan 8.230 nan 0.000 0.452 164 A N -0.292 122.605 122.820 0.130 0.000 2.167 164 A HA 0.016 4.336 4.320 -0.000 0.000 0.214 164 A C 1.101 178.760 177.584 0.125 0.000 1.151 164 A CA 0.183 52.335 52.037 0.193 0.000 0.735 164 A CB -0.133 18.957 19.000 0.150 0.000 0.802 164 A HN 0.275 nan 8.150 nan 0.000 0.467 165 R N 0.653 121.189 120.500 0.060 0.000 2.500 165 R HA 0.401 4.741 4.340 -0.000 0.000 0.277 165 R C 0.270 176.563 176.300 -0.012 0.000 1.026 165 R CA 0.179 56.294 56.100 0.026 0.000 1.058 165 R CB 0.642 30.948 30.300 0.010 0.000 1.078 165 R HN 0.375 nan 8.270 nan 0.000 0.509 166 T N -2.065 112.469 114.554 -0.034 0.000 2.813 166 T HA 0.074 4.424 4.350 -0.000 0.000 0.297 166 T C 1.379 176.012 174.700 -0.110 0.000 1.036 166 T CA -0.861 61.185 62.100 -0.091 0.000 1.044 166 T CB 0.916 69.718 68.868 -0.110 0.000 0.993 166 T HN 0.223 nan 8.240 nan 0.000 0.535 167 V N 1.354 121.173 119.914 -0.158 0.000 2.591 167 V HA -0.021 4.099 4.120 -0.000 0.000 0.249 167 V C 2.495 178.428 176.094 -0.268 0.000 1.053 167 V CA 1.510 63.718 62.300 -0.152 0.000 1.068 167 V CB -0.905 30.842 31.823 -0.127 0.000 0.689 167 V HN 0.844 nan 8.190 nan 0.000 0.462 168 E N 0.413 120.335 120.200 -0.463 0.000 2.347 168 E HA 0.281 4.631 4.350 -0.000 0.000 0.196 168 E C 1.198 177.669 176.600 -0.216 0.000 1.008 168 E CA 0.732 56.742 56.400 -0.650 0.000 0.852 168 E CB -0.282 29.004 29.700 -0.690 0.000 0.783 168 E HN 0.609 nan 8.360 nan 0.000 0.505 169 G N -0.504 108.215 108.800 -0.134 0.000 2.698 169 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.225 169 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.225 169 G C -0.105 174.769 174.900 -0.043 0.000 1.345 169 G CA -0.428 44.643 45.100 -0.049 0.000 0.871 169 G HN 0.114 nan 8.290 nan 0.000 0.540 170 T N -0.138 114.409 114.554 -0.012 0.000 2.927 170 T HA 0.583 4.933 4.350 -0.000 0.000 0.281 170 T C 1.832 176.523 174.700 -0.016 0.000 0.998 170 T CA 0.391 62.485 62.100 -0.010 0.000 1.019 170 T CB 1.474 70.347 68.868 0.010 0.000 1.061 170 T HN 0.784 nan 8.240 nan 0.000 0.518 171 T N 1.533 116.072 114.554 -0.024 0.000 2.720 171 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 171 T C 1.936 176.599 174.700 -0.062 0.000 1.037 171 T CA 1.163 63.238 62.100 -0.042 0.000 1.144 171 T CB -0.107 68.740 68.868 -0.035 0.000 0.864 171 T HN 0.505 nan 8.240 nan 0.000 0.444 172 E N 1.421 121.602 120.200 -0.031 0.000 2.017 172 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 172 E C 2.293 178.878 176.600 -0.025 0.000 0.997 172 E CA 1.039 57.421 56.400 -0.030 0.000 0.804 172 E CB -0.676 29.070 29.700 0.077 0.000 0.757 172 E HN 0.372 nan 8.360 nan 0.000 0.448 173 N N 0.781 119.503 118.700 0.036 0.000 2.132 173 N HA -0.150 4.590 4.740 -0.000 0.000 0.191 173 N C 1.921 177.472 175.510 0.068 0.000 1.015 173 N CA 0.954 54.041 53.050 0.063 0.000 0.864 173 N CB -0.292 38.230 38.487 0.058 0.000 1.006 173 N HN 0.180 nan 8.380 nan 0.000 0.430 174 I N 0.213 120.811 120.570 0.047 0.000 2.617 174 I HA -0.151 4.019 4.170 -0.000 0.000 0.256 174 I C 1.675 177.830 176.117 0.064 0.000 1.167 174 I CA 0.868 62.236 61.300 0.114 0.000 1.469 174 I CB 0.012 38.017 38.000 0.008 0.000 1.098 174 I HN 0.091 nan 8.210 nan 0.000 0.436 175 K N -0.422 119.894 120.400 -0.139 0.000 2.366 175 K HA -0.049 4.271 4.320 -0.000 0.000 0.198 175 K C 1.342 177.728 176.600 -0.356 0.000 1.044 175 K CA 0.791 56.896 56.287 -0.304 0.000 0.973 175 K CB 0.133 32.316 32.500 -0.528 0.000 0.767 175 K HN 0.390 nan 8.250 nan 0.000 0.475 176 H N -0.747 118.355 119.070 0.053 0.000 3.241 176 H HA 0.190 4.746 4.556 -0.000 0.000 0.260 176 H C 0.312 175.630 175.328 -0.017 0.000 1.084 176 H CA -0.319 55.740 56.048 0.018 0.000 1.203 176 H CB 0.259 30.027 29.762 0.010 0.000 1.524 176 H HN -0.014 nan 8.280 nan 0.000 0.521 177 L N 2.037 123.293 121.223 0.056 0.000 2.573 177 L HA -0.040 4.300 4.340 -0.000 0.000 0.290 177 L C 0.496 177.262 176.870 -0.174 0.000 1.247 177 L CA 0.928 55.715 54.840 -0.088 0.000 0.876 177 L CB 0.373 42.306 42.059 -0.210 0.000 1.123 177 L HN 0.069 nan 8.230 nan 0.000 0.505 178 T N 2.457 116.910 114.554 -0.169 0.000 2.942 178 T HA 0.223 4.573 4.350 -0.000 0.000 0.289 178 T C 0.969 175.553 174.700 -0.193 0.000 1.044 178 T CA -0.739 61.270 62.100 -0.153 0.000 1.023 178 T CB 2.044 70.865 68.868 -0.077 0.000 1.123 178 T HN 0.538 nan 8.240 nan 0.000 0.512 179 R N 0.946 121.355 120.500 -0.151 0.000 2.133 179 R HA -0.171 4.169 4.340 -0.000 0.000 0.247 179 R C 2.095 178.330 176.300 -0.108 0.000 1.151 179 R CA 1.955 57.976 56.100 -0.133 0.000 0.971 179 R CB -0.846 29.405 30.300 -0.083 0.000 0.866 179 R HN 0.729 nan 8.270 nan 0.000 0.447 180 A N 1.161 123.929 122.820 -0.086 0.000 1.841 180 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 180 A C 1.701 179.247 177.584 -0.063 0.000 1.195 180 A CA 1.935 53.934 52.037 -0.063 0.000 0.611 180 A CB -0.686 18.285 19.000 -0.049 0.000 0.835 180 A HN 0.399 nan 8.150 nan 0.000 0.443 181 D N 0.360 120.717 120.400 -0.073 0.000 2.133 181 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 181 D C 1.804 178.077 176.300 -0.044 0.000 0.997 181 D CA 1.451 55.420 54.000 -0.051 0.000 0.840 181 D CB -0.349 40.408 40.800 -0.071 0.000 0.947 181 D HN 0.472 nan 8.370 nan 0.000 0.452 182 L N 0.367 121.518 121.223 -0.119 0.000 2.027 182 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 182 L C 2.565 179.409 176.870 -0.043 0.000 1.074 182 L CA 1.074 55.845 54.840 -0.115 0.000 0.745 182 L CB -0.613 41.316 42.059 -0.217 0.000 0.898 182 L HN 0.043 nan 8.230 nan 0.000 0.433 183 A N -0.357 122.426 122.820 -0.061 0.000 1.865 183 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 183 A C 2.572 180.126 177.584 -0.049 0.000 1.191 183 A CA 2.303 54.310 52.037 -0.051 0.000 0.623 183 A CB -0.926 18.044 19.000 -0.050 0.000 0.826 183 A HN 0.384 nan 8.150 nan 0.000 0.444 184 S N -1.882 113.795 115.700 -0.038 0.000 2.359 184 S HA -0.257 4.213 4.470 -0.000 0.000 0.223 184 S C 1.896 176.456 174.600 -0.065 0.000 1.039 184 S CA 1.912 60.083 58.200 -0.048 0.000 1.042 184 S CB -0.636 62.548 63.200 -0.026 0.000 0.915 184 S HN 0.656 nan 8.310 nan 0.000 0.439 185 Y N 1.933 122.162 120.300 -0.119 0.000 2.081 185 Y HA -0.181 4.369 4.550 -0.000 0.000 0.280 185 Y C 1.964 177.718 175.900 -0.243 0.000 1.163 185 Y CA 2.204 60.252 58.100 -0.086 0.000 1.135 185 Y CB -0.512 37.907 38.460 -0.070 0.000 0.970 185 Y HN 0.338 nan 8.280 nan 0.000 0.498 186 I N 0.083 120.541 120.570 -0.186 0.000 2.127 186 I HA -0.344 3.826 4.170 -0.000 0.000 0.241 186 I C 1.997 177.922 176.117 -0.320 0.000 1.075 186 I CA 1.796 62.816 61.300 -0.466 0.000 1.334 186 I CB -0.598 37.282 38.000 -0.201 0.000 1.040 186 I HN 0.247 nan 8.210 nan 0.000 0.405 187 D N 0.427 120.716 120.400 -0.185 0.000 2.218 187 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 187 D C 2.170 178.350 176.300 -0.199 0.000 0.976 187 D CA 1.563 55.483 54.000 -0.132 0.000 0.853 187 D CB -0.117 40.629 40.800 -0.090 0.000 0.939 187 D HN 0.387 nan 8.370 nan 0.000 0.481 188 T N -0.313 114.037 114.554 -0.341 0.000 2.894 188 T HA -0.045 4.305 4.350 -0.000 0.000 0.258 188 T C 1.602 175.912 174.700 -0.650 0.000 1.043 188 T CA 0.764 62.557 62.100 -0.512 0.000 1.141 188 T CB 0.126 68.563 68.868 -0.719 0.000 0.873 188 T HN 0.277 nan 8.240 nan 0.000 0.449 189 H N -0.485 118.345 119.070 -0.401 0.000 2.506 189 H HA 0.279 4.835 4.556 -0.000 0.000 0.289 189 H C 0.313 175.607 175.328 -0.057 0.000 1.009 189 H CA -0.067 55.766 56.048 -0.358 0.000 1.303 189 H CB -0.108 29.237 29.762 -0.696 0.000 1.453 189 H HN 0.354 nan 8.280 nan 0.000 0.526 190 F N 2.963 122.879 119.950 -0.057 0.000 2.600 190 F HA 0.197 4.724 4.527 -0.000 0.000 0.345 190 F C 0.274 176.053 175.800 -0.034 0.000 1.271 190 F CA -0.095 57.893 58.000 -0.021 0.000 1.138 190 F CB -0.006 39.007 39.000 0.022 0.000 1.449 190 F HN -0.237 nan 8.300 nan 0.000 0.645 191 K N 1.310 121.787 120.400 0.129 0.000 2.468 191 K HA 0.454 4.774 4.320 -0.000 0.000 0.252 191 K C 0.481 177.081 176.600 -0.001 0.000 0.932 191 K CA -0.622 55.692 56.287 0.045 0.000 0.794 191 K CB 2.107 34.611 32.500 0.007 0.000 1.241 191 K HN 0.412 nan 8.250 nan 0.000 0.428 192 A N 4.586 127.389 122.820 -0.027 0.000 1.935 192 A HA -0.209 4.111 4.320 -0.000 0.000 0.224 192 A C -0.467 177.085 177.584 -0.054 0.000 1.324 192 A CA 2.153 54.147 52.037 -0.072 0.000 0.686 192 A CB -1.543 17.425 19.000 -0.053 0.000 0.837 192 A HN 0.663 nan 8.150 nan 0.000 0.481 193 P HA -0.147 nan 4.420 nan 0.000 0.220 193 P C 0.975 178.274 177.300 -0.002 0.000 1.148 193 P CA 1.385 64.478 63.100 -0.012 0.000 0.803 193 P CB -0.181 31.517 31.700 -0.004 0.000 0.782 194 R N -1.639 118.860 120.500 -0.002 0.000 2.334 194 R HA 0.320 4.660 4.340 -0.000 0.000 0.216 194 R C 1.120 177.419 176.300 -0.001 0.000 0.905 194 R CA 0.054 56.158 56.100 0.007 0.000 1.064 194 R CB -0.041 30.264 30.300 0.009 0.000 1.046 194 R HN 0.284 nan 8.270 nan 0.000 0.508 195 M N 0.107 119.690 119.600 -0.028 0.000 2.705 195 M HA 0.434 4.914 4.480 -0.000 0.000 0.311 195 M C -0.886 175.390 176.300 -0.041 0.000 1.214 195 M CA -1.013 54.257 55.300 -0.050 0.000 0.920 195 M CB 2.705 35.225 32.600 -0.133 0.000 1.687 195 M HN -0.288 nan 8.290 nan 0.000 0.481 196 V N 2.337 122.255 119.914 0.007 0.000 2.668 196 V HA 0.375 4.495 4.120 -0.000 0.000 0.304 196 V C -1.380 174.775 176.094 0.102 0.000 1.071 196 V CA -0.724 61.602 62.300 0.043 0.000 0.894 196 V CB 2.302 34.177 31.823 0.086 0.000 1.008 196 V HN 0.660 nan 8.190 nan 0.000 0.425 197 L N 5.155 126.411 121.223 0.056 0.000 2.264 197 L HA 0.876 5.216 4.340 -0.000 0.000 0.287 197 L C 0.243 177.219 176.870 0.176 0.000 1.039 197 L CA 0.243 55.164 54.840 0.136 0.000 0.829 197 L CB 0.770 42.888 42.059 0.097 0.000 1.211 197 L HN 0.799 nan 8.230 nan 0.000 0.427 198 A N 4.298 127.276 122.820 0.262 0.000 2.340 198 A HA 0.994 5.314 4.320 -0.000 0.000 0.331 198 A C -0.820 176.876 177.584 0.186 0.000 1.140 198 A CA -0.030 52.092 52.037 0.141 0.000 0.801 198 A CB 1.479 20.442 19.000 -0.061 0.000 1.234 198 A HN 1.018 nan 8.150 nan 0.000 0.469 199 A N 0.164 123.046 122.820 0.103 0.000 2.549 199 A HA 0.917 5.237 4.320 -0.000 0.000 0.297 199 A C -0.531 177.081 177.584 0.048 0.000 1.061 199 A CA 0.078 52.178 52.037 0.105 0.000 0.690 199 A CB 1.406 20.474 19.000 0.112 0.000 1.287 199 A HN 2.531 nan 8.150 nan 0.000 0.402 200 A N 0.295 123.140 122.820 0.042 0.000 2.515 200 A HA 1.031 5.351 4.320 -0.000 0.000 0.298 200 A C 0.273 177.870 177.584 0.021 0.000 1.059 200 A CA 0.278 52.323 52.037 0.012 0.000 0.698 200 A CB 1.167 20.156 19.000 -0.019 0.000 1.289 200 A HN 2.890 nan 8.150 nan 0.000 0.404 201 G N -0.090 108.716 108.800 0.010 0.000 2.250 201 G HA2 0.453 4.413 3.960 -0.000 0.000 0.196 201 G HA3 0.453 4.413 3.960 -0.000 0.000 0.196 201 G C 0.316 175.222 174.900 0.009 0.000 1.308 201 G CA 0.040 45.146 45.100 0.010 0.000 1.207 201 G HN 1.945 nan 8.290 nan 0.000 0.505 202 G N 0.552 109.357 108.800 0.008 0.000 3.161 202 G HA2 0.589 4.549 3.960 -0.000 0.000 0.293 202 G HA3 0.589 4.549 3.960 -0.000 0.000 0.293 202 G C -0.223 174.685 174.900 0.013 0.000 0.893 202 G CA -0.026 45.079 45.100 0.007 0.000 1.756 202 G HN 0.696 nan 8.290 nan 0.000 0.549 203 I N 0.263 120.846 120.570 0.022 0.000 2.769 203 I HA 0.289 4.459 4.170 -0.000 0.000 0.298 203 I C -0.100 176.042 176.117 0.043 0.000 1.128 203 I CA -0.986 60.332 61.300 0.030 0.000 1.031 203 I CB 2.574 40.598 38.000 0.040 0.000 1.235 203 I HN 0.267 nan 8.210 nan 0.000 0.423 204 S N 2.900 118.624 115.700 0.040 0.000 2.439 204 S HA 0.128 4.598 4.470 -0.000 0.000 0.282 204 S C 1.007 175.652 174.600 0.074 0.000 1.170 204 S CA -0.091 58.140 58.200 0.052 0.000 1.054 204 S CB 0.181 63.399 63.200 0.030 0.000 0.956 204 S HN 0.695 nan 8.310 nan 0.000 0.490 205 H N 5.461 124.537 119.070 0.010 0.000 2.321 205 H HA -0.132 4.424 4.556 -0.000 0.000 0.295 205 H C 1.648 176.989 175.328 0.021 0.000 1.102 205 H CA 2.665 58.722 56.048 0.014 0.000 1.266 205 H CB 0.076 29.841 29.762 0.006 0.000 1.363 205 H HN 0.716 nan 8.280 nan 0.000 0.492 206 K N 0.088 120.459 120.400 -0.049 0.000 2.057 206 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 206 K C 2.307 178.861 176.600 -0.076 0.000 1.049 206 K CA 1.648 57.879 56.287 -0.093 0.000 0.931 206 K CB -0.077 32.419 32.500 -0.007 0.000 0.714 206 K HN 0.498 nan 8.250 nan 0.000 0.440 207 E N 0.721 120.902 120.200 -0.032 0.000 2.153 207 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 207 E C 1.987 178.575 176.600 -0.020 0.000 0.988 207 E CA 0.714 57.104 56.400 -0.017 0.000 0.811 207 E CB -0.045 29.655 29.700 -0.000 0.000 0.746 207 E HN 0.121 nan 8.360 nan 0.000 0.466 208 L N 0.637 121.838 121.223 -0.037 0.000 1.988 208 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 208 L C 2.373 179.224 176.870 -0.031 0.000 1.071 208 L CA 1.414 56.242 54.840 -0.019 0.000 0.744 208 L CB -0.760 41.294 42.059 -0.009 0.000 0.893 208 L HN 0.004 nan 8.230 nan 0.000 0.433 209 V N -0.247 119.584 119.914 -0.139 0.000 2.490 209 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 209 V C 2.123 178.198 176.094 -0.031 0.000 1.061 209 V CA 2.291 64.527 62.300 -0.107 0.000 1.064 209 V CB -0.584 31.100 31.823 -0.232 0.000 0.670 209 V HN 0.571 nan 8.190 nan 0.000 0.461 210 D N 0.796 121.173 120.400 -0.037 0.000 2.084 210 D HA -0.091 4.549 4.640 -0.000 0.000 0.196 210 D C 2.242 178.549 176.300 0.011 0.000 0.985 210 D CA 1.806 55.797 54.000 -0.015 0.000 0.826 210 D CB -0.440 40.349 40.800 -0.017 0.000 0.978 210 D HN 0.566 nan 8.370 nan 0.000 0.456 211 A N 1.018 123.859 122.820 0.035 0.000 2.024 211 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 211 A C 2.236 179.910 177.584 0.151 0.000 1.164 211 A CA 2.059 54.154 52.037 0.097 0.000 0.643 211 A CB -0.446 18.605 19.000 0.084 0.000 0.806 211 A HN 0.250 nan 8.150 nan 0.000 0.451 212 A N -0.246 122.649 122.820 0.125 0.000 1.840 212 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 212 A C 2.174 179.865 177.584 0.178 0.000 1.198 212 A CA 1.373 53.543 52.037 0.222 0.000 0.608 212 A CB -0.487 18.660 19.000 0.245 0.000 0.839 212 A HN 0.473 nan 8.150 nan 0.000 0.443 213 R N -0.761 119.796 120.500 0.094 0.000 2.133 213 R HA -0.228 4.112 4.340 -0.000 0.000 0.247 213 R C 2.495 178.789 176.300 -0.011 0.000 1.151 213 R CA 1.961 58.092 56.100 0.050 0.000 0.971 213 R CB -0.273 30.035 30.300 0.012 0.000 0.866 213 R HN 0.763 nan 8.270 nan 0.000 0.447 214 Q N -0.982 118.770 119.800 -0.081 0.000 2.119 214 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 214 Q C 0.959 176.694 176.000 -0.441 0.000 0.972 214 Q CA 1.658 57.300 55.803 -0.268 0.000 0.847 214 Q CB 0.208 28.730 28.738 -0.359 0.000 0.903 214 Q HN 0.563 nan 8.270 nan 0.000 0.433 215 H N -2.581 116.392 119.070 -0.162 0.000 2.750 215 H HA 0.180 4.736 4.556 -0.000 0.000 0.263 215 H C -0.557 174.541 175.328 -0.382 0.000 0.964 215 H CA -0.092 55.774 56.048 -0.302 0.000 1.205 215 H CB 0.612 30.109 29.762 -0.442 0.000 1.454 215 H HN 0.031 nan 8.280 nan 0.000 0.503 216 F N 1.781 121.783 119.950 0.087 0.000 2.300 216 F HA 0.171 4.698 4.527 -0.000 0.000 0.364 216 F C 1.048 176.855 175.800 0.013 0.000 1.090 216 F CA -0.658 57.372 58.000 0.051 0.000 1.200 216 F CB 0.900 39.928 39.000 0.048 0.000 1.493 216 F HN 0.169 nan 8.300 nan 0.000 0.518 217 S N 1.507 117.285 115.700 0.131 0.000 2.310 217 S HA 0.104 4.574 4.470 -0.000 0.000 0.205 217 S C 1.624 176.250 174.600 0.042 0.000 1.020 217 S CA 0.342 58.577 58.200 0.057 0.000 0.939 217 S CB -1.020 62.190 63.200 0.017 0.000 0.919 217 S HN 0.596 nan 8.310 nan 0.000 0.501 218 G N 2.541 111.366 108.800 0.043 0.000 2.844 218 G HA2 0.090 4.050 3.960 -0.000 0.000 0.338 218 G HA3 0.090 4.050 3.960 -0.000 0.000 0.338 218 G C -0.305 174.566 174.900 -0.048 0.000 0.196 218 G CA 0.155 45.260 45.100 0.009 0.000 1.215 218 G HN 0.559 nan 8.290 nan 0.000 0.383 219 V N 3.883 123.715 119.914 -0.137 0.000 2.347 219 V HA 0.349 4.469 4.120 -0.000 0.000 0.280 219 V C 0.885 176.720 176.094 -0.433 0.000 1.021 219 V CA -0.324 61.845 62.300 -0.218 0.000 0.847 219 V CB 1.316 33.018 31.823 -0.202 0.000 0.990 219 V HN 0.995 nan 8.190 nan 0.000 0.444 220 S N 4.137 119.661 115.700 -0.295 0.000 2.566 220 S HA 0.293 4.763 4.470 -0.000 0.000 0.280 220 S C 0.417 174.776 174.600 -0.400 0.000 1.343 220 S CA 0.111 58.146 58.200 -0.275 0.000 1.036 220 S CB 0.457 63.598 63.200 -0.098 0.000 0.866 220 S HN 0.461 nan 8.310 nan 0.000 0.526 221 F N 0.414 120.378 119.950 0.023 0.000 2.480 221 F HA 0.159 4.686 4.527 -0.000 0.000 0.280 221 F C 1.920 177.755 175.800 0.059 0.000 1.002 221 F CA 0.387 58.408 58.000 0.035 0.000 1.325 221 F CB -0.725 38.293 39.000 0.029 0.000 1.134 221 F HN 0.703 nan 8.300 nan 0.000 0.646 222 T N -1.554 113.159 114.554 0.266 0.000 2.849 222 T HA 0.058 4.408 4.350 -0.000 0.000 0.284 222 T C 0.799 175.609 174.700 0.182 0.000 1.004 222 T CA -0.302 61.937 62.100 0.232 0.000 1.021 222 T CB 0.574 69.541 68.868 0.165 0.000 1.013 222 T HN 0.444 nan 8.240 nan 0.000 0.527 223 Y N -0.014 120.316 120.300 0.050 0.000 2.373 223 Y HA 0.179 4.729 4.550 -0.000 0.000 0.293 223 Y C 2.325 178.243 175.900 0.031 0.000 1.129 223 Y CA 0.355 58.476 58.100 0.035 0.000 1.226 223 Y CB -0.457 38.022 38.460 0.031 0.000 1.000 223 Y HN 0.496 nan 8.280 nan 0.000 0.549 224 K N 1.076 120.948 120.400 -0.879 0.000 2.002 224 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 224 K C 1.873 178.315 176.600 -0.263 0.000 1.048 224 K CA 2.034 57.915 56.287 -0.676 0.000 0.930 224 K CB -0.222 31.927 32.500 -0.584 0.000 0.714 224 K HN 0.515 nan 8.250 nan 0.000 0.438 225 E N 0.917 121.024 120.200 -0.156 0.000 2.171 225 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 225 E C 0.891 177.457 176.600 -0.056 0.000 0.997 225 E CA 1.374 57.728 56.400 -0.077 0.000 0.810 225 E CB -0.104 29.578 29.700 -0.029 0.000 0.738 225 E HN 0.503 nan 8.360 nan 0.000 0.467 226 D N -0.407 119.967 120.400 -0.043 0.000 2.463 226 D HA 0.196 4.836 4.640 -0.000 0.000 0.224 226 D C -0.260 176.038 176.300 -0.003 0.000 1.174 226 D CA -0.195 53.794 54.000 -0.017 0.000 0.829 226 D CB 0.356 41.153 40.800 -0.004 0.000 0.993 226 D HN -0.033 nan 8.370 nan 0.000 0.497 227 A N 0.554 123.361 122.820 -0.021 0.000 2.304 227 A HA 0.477 4.797 4.320 -0.000 0.000 0.323 227 A C -0.367 177.222 177.584 0.008 0.000 1.195 227 A CA -0.824 51.214 52.037 0.003 0.000 0.826 227 A CB 1.961 20.955 19.000 -0.010 0.000 1.184 227 A HN 0.159 nan 8.150 nan 0.000 0.496 228 V N 5.639 125.574 119.914 0.034 0.000 2.408 228 V HA 0.417 4.537 4.120 -0.000 0.000 0.267 228 V C -1.783 174.355 176.094 0.074 0.000 1.047 228 V CA -1.716 60.617 62.300 0.056 0.000 0.937 228 V CB 0.855 32.718 31.823 0.066 0.000 0.999 228 V HN 0.870 nan 8.190 nan 0.000 0.472 229 P HA 0.221 nan 4.420 nan 0.000 0.267 229 P C -0.446 176.924 177.300 0.116 0.000 1.209 229 P CA 0.025 63.184 63.100 0.099 0.000 0.763 229 P CB 0.606 32.378 31.700 0.119 0.000 0.816 230 I N 3.573 124.189 120.570 0.078 0.000 2.371 230 I HA 0.159 4.329 4.170 -0.000 0.000 0.290 230 I C 0.935 177.070 176.117 0.030 0.000 1.028 230 I CA -0.729 60.609 61.300 0.062 0.000 1.345 230 I CB 0.475 38.507 38.000 0.054 0.000 1.407 230 I HN 0.179 nan 8.210 nan 0.000 0.501 231 L N 8.141 129.357 121.223 -0.011 0.000 2.371 231 L HA 0.337 4.677 4.340 -0.000 0.000 0.272 231 L C -1.686 175.154 176.870 -0.049 0.000 1.124 231 L CA -1.693 53.098 54.840 -0.080 0.000 0.816 231 L CB 0.251 42.178 42.059 -0.221 0.000 1.129 231 L HN 0.442 nan 8.230 nan 0.000 0.448 232 P HA 0.047 nan 4.420 nan 0.000 0.268 232 P C -0.716 176.567 177.300 -0.028 0.000 1.204 232 P CA -0.446 62.642 63.100 -0.021 0.000 0.768 232 P CB 0.626 32.317 31.700 -0.015 0.000 0.842 233 R N 2.597 123.097 120.500 0.001 0.000 2.679 233 R HA 0.158 4.498 4.340 -0.000 0.000 0.268 233 R C -0.930 175.385 176.300 0.024 0.000 1.044 233 R CA -0.054 56.055 56.100 0.015 0.000 1.105 233 R CB 0.028 30.354 30.300 0.043 0.000 0.989 233 R HN 0.467 nan 8.270 nan 0.000 0.447 234 C N 4.981 124.300 119.300 0.031 0.000 2.273 234 C HA 0.350 4.810 4.460 -0.000 0.000 0.328 234 C C 0.346 175.482 174.990 0.244 0.000 1.275 234 C CA -0.632 58.435 59.018 0.082 0.000 1.704 234 C CB 0.241 27.939 27.740 -0.069 0.000 2.326 234 C HN 0.833 nan 8.230 nan 0.000 0.517 235 R N 2.984 123.619 120.500 0.225 0.000 2.347 235 R HA 0.253 4.593 4.340 -0.000 0.000 0.304 235 R C -0.678 175.803 176.300 0.302 0.000 1.072 235 R CA -0.158 56.080 56.100 0.231 0.000 0.980 235 R CB 0.357 30.734 30.300 0.129 0.000 0.986 235 R HN 0.689 nan 8.270 nan 0.000 0.448 236 F N 2.938 122.970 119.950 0.138 0.000 2.375 236 F HA 0.286 4.813 4.527 -0.000 0.000 0.333 236 F C -0.628 175.141 175.800 -0.052 0.000 1.104 236 F CA 0.316 58.301 58.000 -0.025 0.000 1.149 236 F CB 1.559 40.543 39.000 -0.027 0.000 1.190 236 F HN 0.411 nan 8.300 nan 0.000 0.533 237 T N 4.244 118.222 114.554 -0.959 0.000 2.937 237 T HA 0.413 4.763 4.350 -0.000 0.000 0.297 237 T C -0.135 174.147 174.700 -0.698 0.000 0.991 237 T CA -0.546 61.210 62.100 -0.573 0.000 0.990 237 T CB 1.185 69.843 68.868 -0.350 0.000 0.991 237 T HN 0.934 nan 8.240 nan 0.000 0.440 238 G N 2.624 111.262 108.800 -0.270 0.000 2.334 238 G HA2 0.491 4.450 3.960 -0.000 0.000 0.261 238 G HA3 0.491 4.450 3.960 -0.000 0.000 0.261 238 G C 0.014 174.768 174.900 -0.243 0.000 1.257 238 G CA -0.073 44.985 45.100 -0.070 0.000 0.935 238 G HN 0.989 nan 8.290 nan 0.000 0.480 239 S N 1.145 116.692 115.700 -0.255 0.000 2.656 239 S HA 0.659 5.129 4.470 -0.000 0.000 0.265 239 S C -1.000 173.478 174.600 -0.205 0.000 1.132 239 S CA -0.896 57.052 58.200 -0.420 0.000 0.819 239 S CB 1.714 64.712 63.200 -0.337 0.000 1.119 239 S HN 0.997 nan 8.310 nan 0.000 0.476 240 E N 0.042 120.119 120.200 -0.205 0.000 2.393 240 E HA 0.815 5.165 4.350 -0.000 0.000 0.273 240 E C -1.376 175.159 176.600 -0.109 0.000 0.918 240 E CA -1.202 55.160 56.400 -0.064 0.000 0.773 240 E CB 2.215 31.960 29.700 0.075 0.000 1.275 240 E HN 0.852 nan 8.360 nan 0.000 0.451 241 I N 0.657 121.166 120.570 -0.102 0.000 2.571 241 I HA 0.446 4.616 4.170 -0.000 0.000 0.289 241 I C -1.574 174.458 176.117 -0.142 0.000 1.115 241 I CA -0.759 60.445 61.300 -0.160 0.000 1.045 241 I CB 1.411 39.270 38.000 -0.234 0.000 1.238 241 I HN 0.562 nan 8.210 nan 0.000 0.424 242 R N 6.531 126.951 120.500 -0.133 0.000 2.388 242 R HA 0.654 4.994 4.340 -0.000 0.000 0.314 242 R C -0.874 175.362 176.300 -0.106 0.000 0.959 242 R CA -0.766 55.281 56.100 -0.087 0.000 0.851 242 R CB 1.968 32.241 30.300 -0.046 0.000 1.168 242 R HN 0.651 nan 8.270 nan 0.000 0.472 243 A N 4.017 126.787 122.820 -0.083 0.000 2.322 243 A HA 0.312 4.632 4.320 -0.000 0.000 0.327 243 A C -0.085 177.507 177.584 0.013 0.000 1.394 243 A CA -0.611 51.398 52.037 -0.047 0.000 0.921 243 A CB 0.310 19.320 19.000 0.016 0.000 1.153 243 A HN 0.718 nan 8.150 nan 0.000 0.523 244 R N 1.946 122.447 120.500 0.002 0.000 2.312 244 R HA 0.465 4.805 4.340 -0.000 0.000 0.311 244 R C -1.547 174.765 176.300 0.021 0.000 1.004 244 R CA -0.220 55.889 56.100 0.015 0.000 0.902 244 R CB 0.812 31.116 30.300 0.007 0.000 1.073 244 R HN 0.565 nan 8.270 nan 0.000 0.457 245 D N 2.918 123.335 120.400 0.028 0.000 2.319 245 D HA 0.109 4.749 4.640 -0.000 0.000 0.237 245 D C -0.514 175.803 176.300 0.028 0.000 1.353 245 D CA -0.419 53.597 54.000 0.027 0.000 0.992 245 D CB 1.140 41.959 40.800 0.031 0.000 1.368 245 D HN 0.529 nan 8.370 nan 0.000 0.564 246 D N 1.989 122.403 120.400 0.023 0.000 2.310 246 D HA -0.057 4.583 4.640 -0.000 0.000 0.212 246 D C 1.676 177.990 176.300 0.024 0.000 0.965 246 D CA 0.607 54.622 54.000 0.024 0.000 0.879 246 D CB 0.311 41.122 40.800 0.020 0.000 0.921 246 D HN 0.516 nan 8.370 nan 0.000 0.510 247 A N 0.229 123.062 122.820 0.022 0.000 2.209 247 A HA 0.034 4.354 4.320 -0.000 0.000 0.212 247 A C 1.170 178.768 177.584 0.023 0.000 1.158 247 A CA 0.094 52.143 52.037 0.021 0.000 0.742 247 A CB -0.188 18.822 19.000 0.017 0.000 0.790 247 A HN 0.155 nan 8.150 nan 0.000 0.472 248 L N 0.699 121.939 121.223 0.028 0.000 2.349 248 L HA 0.171 4.511 4.340 -0.000 0.000 0.275 248 L C -0.828 176.062 176.870 0.034 0.000 1.115 248 L CA -1.695 53.164 54.840 0.032 0.000 0.820 248 L CB 0.892 42.976 42.059 0.041 0.000 1.135 248 L HN 0.143 nan 8.230 nan 0.000 0.445 249 P HA -0.108 nan 4.420 nan 0.000 0.215 249 P C 0.143 177.447 177.300 0.007 0.000 1.153 249 P CA 1.275 64.387 63.100 0.020 0.000 0.853 249 P CB 0.160 31.869 31.700 0.015 0.000 0.788 250 V N -4.538 115.379 119.914 0.005 0.000 2.962 250 V HA 0.877 4.997 4.120 -0.000 0.000 0.313 250 V C -0.690 175.451 176.094 0.078 0.000 1.099 250 V CA -1.450 60.836 62.300 -0.023 0.000 0.971 250 V CB 1.521 33.218 31.823 -0.211 0.000 1.028 250 V HN 0.176 nan 8.190 nan 0.000 0.430 251 A N 2.351 125.211 122.820 0.068 0.000 2.303 251 A HA 0.769 5.089 4.320 -0.000 0.000 0.317 251 A C -0.294 177.340 177.584 0.083 0.000 1.149 251 A CA -0.569 51.537 52.037 0.115 0.000 0.822 251 A CB 0.458 19.511 19.000 0.089 0.000 1.131 251 A HN 1.052 nan 8.150 nan 0.000 0.493 252 H N 0.247 119.305 119.070 -0.021 0.000 2.524 252 H HA 0.602 5.158 4.556 -0.000 0.000 0.353 252 H C -1.321 173.893 175.328 -0.190 0.000 1.136 252 H CA -0.505 55.497 56.048 -0.078 0.000 1.193 252 H CB 2.013 31.830 29.762 0.092 0.000 1.558 252 H HN 0.394 nan 8.280 nan 0.000 0.515 253 V N 1.722 121.404 119.914 -0.386 0.000 2.733 253 V HA 0.528 4.648 4.120 -0.000 0.000 0.306 253 V C -0.668 175.153 176.094 -0.455 0.000 1.084 253 V CA -0.790 61.206 62.300 -0.506 0.000 0.905 253 V CB 1.710 32.975 31.823 -0.929 0.000 1.010 253 V HN 0.911 nan 8.190 nan 0.000 0.424 254 A N 4.528 127.198 122.820 -0.251 0.000 2.371 254 A HA 0.978 5.298 4.320 -0.000 0.000 0.311 254 A C -1.537 175.863 177.584 -0.306 0.000 1.068 254 A CA -0.545 51.357 52.037 -0.225 0.000 0.744 254 A CB 1.689 20.515 19.000 -0.291 0.000 1.239 254 A HN 0.952 nan 8.150 nan 0.000 0.435 255 L N 1.866 122.785 121.223 -0.507 0.000 2.436 255 L HA 0.911 5.251 4.340 -0.000 0.000 0.268 255 L C -0.332 176.330 176.870 -0.346 0.000 0.974 255 L CA 0.191 54.732 54.840 -0.499 0.000 0.826 255 L CB 1.914 43.479 42.059 -0.823 0.000 1.291 255 L HN 1.318 nan 8.230 nan 0.000 0.406 256 A N 3.645 126.475 122.820 0.015 0.000 2.594 256 A HA 0.814 5.133 4.320 -0.000 0.000 0.295 256 A C -1.392 176.377 177.584 0.309 0.000 1.071 256 A CA -0.167 51.999 52.037 0.216 0.000 0.685 256 A CB 1.652 20.821 19.000 0.282 0.000 1.285 256 A HN 1.161 nan 8.150 nan 0.000 0.405 257 V N -1.303 118.755 119.914 0.239 0.000 2.994 257 V HA 0.708 4.828 4.120 -0.000 0.000 0.318 257 V C 0.163 176.098 176.094 -0.264 0.000 1.085 257 V CA -0.848 61.465 62.300 0.021 0.000 0.998 257 V CB 1.510 33.332 31.823 -0.002 0.000 1.063 257 V HN 0.986 nan 8.190 nan 0.000 0.447 258 E N 0.868 120.567 120.200 -0.835 0.000 2.376 258 E HA 0.432 4.782 4.350 -0.000 0.000 0.266 258 E C 0.285 176.792 176.600 -0.155 0.000 1.009 258 E CA 0.264 56.238 56.400 -0.710 0.000 0.902 258 E CB 0.970 30.092 29.700 -0.962 0.000 0.972 258 E HN 1.086 nan 8.360 nan 0.000 0.439 259 G N 3.685 112.463 108.800 -0.037 0.000 2.502 259 G HA2 0.236 4.196 3.960 -0.000 0.000 0.305 259 G HA3 0.236 4.196 3.960 -0.000 0.000 0.305 259 G C -1.709 173.198 174.900 0.011 0.000 1.190 259 G CA -0.978 44.096 45.100 -0.044 0.000 0.933 259 G HN 0.473 nan 8.290 nan 0.000 0.503 260 P HA 0.118 nan 4.420 nan 0.000 0.222 260 P C 0.814 178.128 177.300 0.023 0.000 1.153 260 P CA 1.269 64.401 63.100 0.055 0.000 0.798 260 P CB 0.336 32.048 31.700 0.019 0.000 0.796 261 G N -0.695 108.059 108.800 -0.077 0.000 2.907 261 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 261 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 261 G C 0.112 175.015 174.900 0.005 0.000 1.115 261 G CA -0.406 44.639 45.100 -0.092 0.000 0.760 261 G HN 0.016 nan 8.290 nan 0.000 0.620 262 W N 1.030 122.378 121.300 0.080 0.000 2.246 262 W HA -0.315 4.345 4.660 -0.000 0.000 0.353 262 W C 2.922 179.572 176.519 0.218 0.000 1.487 262 W CA 2.950 60.337 57.345 0.071 0.000 1.470 262 W CB -0.757 28.643 29.460 -0.099 0.000 1.050 262 W HN 1.318 nan 8.180 nan 0.000 0.471 263 A N -0.760 122.328 122.820 0.447 0.000 2.076 263 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 263 A C 0.949 178.706 177.584 0.290 0.000 1.160 263 A CA 1.456 53.715 52.037 0.371 0.000 0.653 263 A CB -0.652 18.502 19.000 0.255 0.000 0.801 263 A HN 0.215 nan 8.150 nan 0.000 0.455 264 D N -0.760 119.780 120.400 0.234 0.000 2.348 264 D HA 0.219 4.859 4.640 -0.000 0.000 0.253 264 D C -1.697 174.705 176.300 0.169 0.000 1.161 264 D CA -1.743 52.357 54.000 0.166 0.000 0.876 264 D CB 1.266 42.135 40.800 0.115 0.000 1.160 264 D HN 0.005 nan 8.370 nan 0.000 0.459 265 P HA -0.088 nan 4.420 nan 0.000 0.220 265 P C 0.645 178.003 177.300 0.097 0.000 1.148 265 P CA 0.648 63.833 63.100 0.142 0.000 0.803 265 P CB 0.378 32.144 31.700 0.110 0.000 0.782 266 D N -0.909 119.520 120.400 0.047 0.000 2.190 266 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 266 D C 1.623 177.855 176.300 -0.113 0.000 0.992 266 D CA 0.816 54.795 54.000 -0.035 0.000 0.854 266 D CB -0.863 39.899 40.800 -0.063 0.000 0.936 266 D HN 0.162 nan 8.370 nan 0.000 0.462 267 N N 0.419 119.069 118.700 -0.082 0.000 2.258 267 N HA -0.126 4.614 4.740 -0.000 0.000 0.187 267 N C 1.886 177.381 175.510 -0.024 0.000 1.012 267 N CA 0.460 53.438 53.050 -0.120 0.000 0.870 267 N CB -0.004 38.499 38.487 0.026 0.000 0.977 267 N HN 0.147 nan 8.380 nan 0.000 0.434 268 V N 0.566 120.518 119.914 0.063 0.000 2.307 268 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 268 V C 2.439 178.567 176.094 0.056 0.000 1.045 268 V CA 1.125 63.474 62.300 0.082 0.000 1.024 268 V CB -0.439 31.451 31.823 0.112 0.000 0.651 268 V HN 0.051 nan 8.190 nan 0.000 0.449 269 V N -0.254 119.665 119.914 0.008 0.000 2.358 269 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 269 V C 2.335 178.404 176.094 -0.042 0.000 1.047 269 V CA 1.638 63.932 62.300 -0.010 0.000 1.035 269 V CB -0.608 31.195 31.823 -0.032 0.000 0.658 269 V HN 0.419 nan 8.190 nan 0.000 0.452 270 L N -0.531 120.602 121.223 -0.151 0.000 2.042 270 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 270 L C 2.561 179.467 176.870 0.061 0.000 1.076 270 L CA 2.082 56.813 54.840 -0.181 0.000 0.749 270 L CB -0.768 41.051 42.059 -0.400 0.000 0.893 270 L HN 0.420 nan 8.230 nan 0.000 0.432 271 H N -1.588 117.532 119.070 0.083 0.000 2.421 271 H HA -0.132 4.424 4.556 -0.000 0.000 0.298 271 H C 2.241 177.627 175.328 0.097 0.000 1.087 271 H CA 1.156 57.259 56.048 0.092 0.000 1.330 271 H CB 0.135 29.904 29.762 0.011 0.000 1.388 271 H HN 0.063 nan 8.280 nan 0.000 0.526 272 V N 0.645 120.669 119.914 0.184 0.000 2.358 272 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 272 V C 2.579 178.758 176.094 0.142 0.000 1.047 272 V CA 1.518 63.901 62.300 0.139 0.000 1.035 272 V CB -0.888 30.990 31.823 0.091 0.000 0.658 272 V HN 0.564 nan 8.190 nan 0.000 0.452 273 A N 0.489 123.393 122.820 0.141 0.000 1.865 273 A HA -0.314 4.006 4.320 -0.000 0.000 0.217 273 A C 2.056 179.770 177.584 0.217 0.000 1.191 273 A CA 2.462 54.597 52.037 0.164 0.000 0.623 273 A CB -1.026 18.072 19.000 0.163 0.000 0.826 273 A HN 0.661 nan 8.150 nan 0.000 0.444 274 N N -0.174 118.682 118.700 0.259 0.000 2.272 274 N HA -0.107 4.633 4.740 -0.000 0.000 0.185 274 N C 1.806 177.426 175.510 0.182 0.000 1.014 274 N CA 0.868 54.043 53.050 0.208 0.000 0.870 274 N CB -0.206 38.386 38.487 0.176 0.000 0.975 274 N HN 0.545 nan 8.380 nan 0.000 0.433 275 A N 0.904 123.832 122.820 0.181 0.000 1.930 275 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 275 A C 2.059 179.678 177.584 0.058 0.000 1.175 275 A CA 0.813 52.931 52.037 0.135 0.000 0.627 275 A CB -0.404 18.720 19.000 0.207 0.000 0.815 275 A HN 0.196 nan 8.150 nan 0.000 0.443 276 I N -0.324 120.301 120.570 0.092 0.000 2.226 276 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 276 I C 2.269 178.431 176.117 0.074 0.000 1.100 276 I CA 1.309 62.652 61.300 0.071 0.000 1.374 276 I CB -0.269 37.780 38.000 0.081 0.000 1.057 276 I HN 0.312 nan 8.210 nan 0.000 0.413 277 I N -0.158 120.481 120.570 0.115 0.000 2.277 277 I HA -0.029 4.141 4.170 -0.000 0.000 0.243 277 I C 1.749 177.985 176.117 0.199 0.000 1.094 277 I CA 0.922 62.303 61.300 0.135 0.000 1.393 277 I CB -0.905 37.186 38.000 0.152 0.000 1.078 277 I HN 0.458 nan 8.210 nan 0.000 0.417 278 G N 1.849 110.749 108.800 0.166 0.000 2.527 278 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.268 278 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.268 278 G C 0.073 175.050 174.900 0.129 0.000 1.175 278 G CA 0.381 45.547 45.100 0.109 0.000 0.962 278 G HN 0.655 nan 8.290 nan 0.000 0.560 279 R N -1.894 118.541 120.500 -0.108 0.000 2.752 279 R HA 0.771 5.111 4.340 -0.000 0.000 0.271 279 R C -1.145 174.681 176.300 -0.789 0.000 1.026 279 R CA -0.955 54.807 56.100 -0.563 0.000 0.901 279 R CB 1.512 31.718 30.300 -0.157 0.000 1.243 279 R HN 1.605 nan 8.270 nan 0.000 0.463 280 Y N 0.374 119.848 120.300 -1.377 0.000 2.689 280 Y HA 0.527 5.077 4.550 -0.000 0.000 0.333 280 Y C -2.247 172.955 175.900 -1.164 0.000 1.208 280 Y CA -0.616 56.593 58.100 -1.485 0.000 1.055 280 Y CB 2.463 40.318 38.460 -1.008 0.000 1.304 280 Y HN 1.027 nan 8.280 nan 0.000 0.455 281 D N 0.954 119.903 120.400 -2.417 0.000 2.721 281 D HA 0.217 4.857 4.640 -0.000 0.000 0.221 281 D C -0.595 174.908 176.300 -1.328 0.000 1.208 281 D CA -0.564 52.612 54.000 -1.375 0.000 0.755 281 D CB 1.063 41.527 40.800 -0.559 0.000 1.732 281 D HN 0.623 nan 8.370 nan 0.000 0.490 282 R N 0.605 120.651 120.500 -0.757 0.000 2.407 282 R HA -0.104 4.236 4.340 -0.000 0.000 0.241 282 R C 1.167 177.401 176.300 -0.110 0.000 1.180 282 R CA 1.907 57.816 56.100 -0.317 0.000 1.048 282 R CB -0.469 29.745 30.300 -0.144 0.000 0.847 282 R HN 0.658 nan 8.270 nan 0.000 0.488 283 T N -3.283 111.245 114.554 -0.043 0.000 3.105 283 T HA 0.145 4.495 4.350 -0.000 0.000 0.253 283 T C 0.199 175.026 174.700 0.212 0.000 1.047 283 T CA -0.462 61.690 62.100 0.087 0.000 0.944 283 T CB 0.047 68.957 68.868 0.070 0.000 1.016 283 T HN -0.172 nan 8.240 nan 0.000 0.544 284 F N 2.395 122.281 119.950 -0.107 0.000 2.504 284 F HA 0.561 5.088 4.527 -0.000 0.000 0.369 284 F C 1.697 177.524 175.800 0.045 0.000 1.082 284 F CA -1.020 56.972 58.000 -0.012 0.000 1.216 284 F CB 0.694 39.726 39.000 0.053 0.000 1.108 284 F HN 0.182 nan 8.300 nan 0.000 0.554 285 G N 2.187 111.068 108.800 0.134 0.000 2.464 285 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.217 285 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.217 285 G C 1.777 176.755 174.900 0.130 0.000 1.138 285 G CA 0.543 45.705 45.100 0.104 0.000 0.793 285 G HN 0.879 nan 8.290 nan 0.000 0.539 286 G N 0.695 109.587 108.800 0.152 0.000 2.485 286 G HA2 0.191 4.150 3.960 -0.000 0.000 0.221 286 G HA3 0.191 4.150 3.960 -0.000 0.000 0.221 286 G C 1.504 176.498 174.900 0.156 0.000 1.115 286 G CA 0.953 46.149 45.100 0.159 0.000 0.751 286 G HN 1.135 nan 8.290 nan 0.000 0.567 287 G N 1.152 110.055 108.800 0.172 0.000 2.661 287 G HA2 -0.461 3.499 3.960 -0.000 0.000 0.327 287 G HA3 -0.461 3.499 3.960 -0.000 0.000 0.327 287 G C 1.276 176.143 174.900 -0.056 0.000 1.320 287 G CA 1.619 46.769 45.100 0.083 0.000 0.997 287 G HN 0.983 nan 8.290 nan 0.000 0.543 288 K N 0.130 120.411 120.400 -0.199 0.000 2.519 288 K HA -0.020 4.300 4.320 -0.000 0.000 0.196 288 K C 1.707 178.077 176.600 -0.384 0.000 1.041 288 K CA 2.149 58.234 56.287 -0.336 0.000 0.954 288 K CB -0.213 32.027 32.500 -0.432 0.000 0.774 288 K HN 0.734 nan 8.250 nan 0.000 0.480 289 H N 0.176 119.239 119.070 -0.011 0.000 2.586 289 H HA 0.277 4.833 4.556 -0.000 0.000 0.273 289 H C -0.120 175.213 175.328 0.007 0.000 0.997 289 H CA -0.681 55.363 56.048 -0.005 0.000 1.177 289 H CB 0.296 30.059 29.762 0.002 0.000 1.471 289 H HN -0.031 nan 8.280 nan 0.000 0.538 290 L N 0.850 122.125 121.223 0.086 0.000 2.514 290 L HA -0.073 4.266 4.340 -0.000 0.000 0.280 290 L C 1.177 178.079 176.870 0.053 0.000 1.223 290 L CA 0.004 54.896 54.840 0.086 0.000 0.864 290 L CB 0.768 42.883 42.059 0.093 0.000 1.118 290 L HN 0.279 nan 8.230 nan 0.000 0.494 291 S N 0.462 116.194 115.700 0.054 0.000 2.423 291 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 291 S C 0.997 175.611 174.600 0.023 0.000 1.014 291 S CA 0.637 58.858 58.200 0.034 0.000 0.965 291 S CB -0.048 63.170 63.200 0.031 0.000 0.785 291 S HN 0.719 nan 8.310 nan 0.000 0.495 292 S N 1.377 117.095 115.700 0.030 0.000 2.481 292 S HA 0.152 4.622 4.470 -0.000 0.000 0.282 292 S C 1.136 175.741 174.600 0.008 0.000 1.243 292 S CA -0.552 57.671 58.200 0.038 0.000 1.078 292 S CB 0.354 63.609 63.200 0.091 0.000 0.916 292 S HN 0.312 nan 8.310 nan 0.000 0.495 293 R N 3.043 123.537 120.500 -0.011 0.000 2.083 293 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 293 R C 2.068 178.319 176.300 -0.082 0.000 1.137 293 R CA 1.585 57.657 56.100 -0.046 0.000 0.951 293 R CB -0.499 29.771 30.300 -0.050 0.000 0.851 293 R HN 0.637 nan 8.270 nan 0.000 0.434 294 L N 0.818 121.982 121.223 -0.099 0.000 2.083 294 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 294 L C 2.215 179.024 176.870 -0.102 0.000 1.083 294 L CA 1.925 56.641 54.840 -0.208 0.000 0.752 294 L CB -0.688 41.101 42.059 -0.450 0.000 0.899 294 L HN 0.179 nan 8.230 nan 0.000 0.433 295 A N -0.558 122.293 122.820 0.053 0.000 1.877 295 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 295 A C 2.471 179.862 177.584 -0.320 0.000 1.186 295 A CA 1.867 53.840 52.037 -0.105 0.000 0.620 295 A CB -1.197 17.766 19.000 -0.061 0.000 0.822 295 A HN 0.558 nan 8.150 nan 0.000 0.443 296 A N -0.253 122.454 122.820 -0.188 0.000 1.883 296 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 296 A C 2.218 179.665 177.584 -0.228 0.000 1.186 296 A CA 1.613 53.531 52.037 -0.198 0.000 0.624 296 A CB -0.700 18.223 19.000 -0.127 0.000 0.822 296 A HN 0.474 nan 8.150 nan 0.000 0.444 297 L N -0.828 120.291 121.223 -0.173 0.000 2.012 297 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 297 L C 3.155 179.941 176.870 -0.140 0.000 1.073 297 L CA 1.180 55.956 54.840 -0.107 0.000 0.748 297 L CB -0.592 41.436 42.059 -0.052 0.000 0.891 297 L HN 0.459 nan 8.230 nan 0.000 0.431 298 A N -0.439 122.248 122.820 -0.220 0.000 1.917 298 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 298 A C 2.297 179.724 177.584 -0.262 0.000 1.182 298 A CA 2.164 54.060 52.037 -0.236 0.000 0.633 298 A CB -0.889 17.942 19.000 -0.281 0.000 0.819 298 A HN 0.232 nan 8.150 nan 0.000 0.448 299 V N -0.073 119.610 119.914 -0.386 0.000 2.229 299 V HA -0.274 3.846 4.120 -0.000 0.000 0.243 299 V C 2.553 178.509 176.094 -0.230 0.000 1.042 299 V CA 2.264 64.392 62.300 -0.287 0.000 1.000 299 V CB -0.876 30.768 31.823 -0.299 0.000 0.637 299 V HN 0.830 nan 8.190 nan 0.000 0.446 300 E N -0.213 119.801 120.200 -0.308 0.000 2.114 300 E HA -0.282 4.067 4.350 -0.000 0.000 0.199 300 E C 1.644 177.957 176.600 -0.477 0.000 1.008 300 E CA 1.887 58.028 56.400 -0.433 0.000 0.810 300 E CB -0.112 29.221 29.700 -0.611 0.000 0.739 300 E HN 0.757 nan 8.360 nan 0.000 0.456 301 H N -0.054 118.947 119.070 -0.117 0.000 2.505 301 H HA 0.184 4.740 4.556 -0.000 0.000 0.286 301 H C -0.128 175.143 175.328 -0.096 0.000 1.072 301 H CA 0.047 56.034 56.048 -0.101 0.000 1.141 301 H CB 0.647 30.346 29.762 -0.107 0.000 1.550 301 H HN 0.052 nan 8.280 nan 0.000 0.547 302 K N 1.177 121.562 120.400 -0.025 0.000 3.311 302 K HA -0.191 4.129 4.320 -0.000 0.000 0.270 302 K C 1.006 177.591 176.600 -0.025 0.000 0.927 302 K CA 0.116 56.383 56.287 -0.033 0.000 0.706 302 K CB -1.826 30.655 32.500 -0.030 0.000 1.418 302 K HN 0.441 nan 8.250 nan 0.000 0.459 303 L N -1.537 119.663 121.223 -0.040 0.000 2.240 303 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 303 L C 1.384 178.209 176.870 -0.074 0.000 1.106 303 L CA 1.113 55.906 54.840 -0.080 0.000 0.793 303 L CB -0.060 41.914 42.059 -0.143 0.000 0.927 303 L HN 0.659 nan 8.230 nan 0.000 0.446 304 C N -5.504 113.801 119.300 0.009 0.000 3.275 304 C HA 0.243 4.703 4.460 -0.000 0.000 0.340 304 C C 1.270 176.352 174.990 0.153 0.000 1.366 304 C CA -1.009 58.071 59.018 0.104 0.000 1.227 304 C CB 0.998 28.780 27.740 0.069 0.000 1.512 304 C HN 0.177 nan 8.230 nan 0.000 0.461 305 H N 0.787 119.889 119.070 0.054 0.000 2.512 305 H HA 0.239 4.795 4.556 -0.000 0.000 0.279 305 H C 0.996 176.288 175.328 -0.061 0.000 0.999 305 H CA 1.543 57.595 56.048 0.007 0.000 1.283 305 H CB 0.496 30.253 29.762 -0.009 0.000 1.421 305 H HN 0.976 nan 8.280 nan 0.000 0.554 306 S N -0.206 115.576 115.700 0.136 0.000 2.686 306 S HA 0.385 4.855 4.470 -0.000 0.000 0.273 306 S C -1.592 173.144 174.600 0.226 0.000 1.060 306 S CA -1.044 57.171 58.200 0.025 0.000 0.845 306 S CB 1.423 64.596 63.200 -0.045 0.000 1.086 306 S HN 0.238 nan 8.310 nan 0.000 0.461 307 F N -0.589 119.409 119.950 0.080 0.000 2.703 307 F HA 0.817 5.344 4.527 -0.000 0.000 0.308 307 F C -1.674 174.232 175.800 0.176 0.000 1.126 307 F CA -0.649 57.443 58.000 0.153 0.000 0.959 307 F CB 1.118 40.178 39.000 0.100 0.000 1.297 307 F HN 1.017 nan 8.300 nan 0.000 0.441 308 Q N 1.275 121.431 119.800 0.594 0.000 2.377 308 Q HA 0.689 5.029 4.340 -0.000 0.000 0.279 308 Q C -1.585 174.744 176.000 0.548 0.000 1.049 308 Q CA -0.949 55.129 55.803 0.457 0.000 0.825 308 Q CB 2.630 31.621 28.738 0.422 0.000 1.401 308 Q HN 0.894 nan 8.270 nan 0.000 0.404 309 T N -0.567 114.220 114.554 0.388 0.000 2.943 309 T HA 0.844 5.194 4.350 -0.000 0.000 0.284 309 T C -0.318 174.501 174.700 0.198 0.000 1.015 309 T CA -0.571 61.643 62.100 0.189 0.000 1.042 309 T CB 0.683 69.638 68.868 0.145 0.000 1.055 309 T HN 0.622 nan 8.240 nan 0.000 0.500 310 F N -1.107 118.901 119.950 0.097 0.000 2.686 310 F HA 0.771 5.298 4.527 -0.000 0.000 0.311 310 F C -1.064 174.714 175.800 -0.037 0.000 1.128 310 F CA -1.270 56.788 58.000 0.096 0.000 0.946 310 F CB 1.677 40.794 39.000 0.195 0.000 1.336 310 F HN 0.614 nan 8.300 nan 0.000 0.457 311 N N 0.601 119.492 118.700 0.319 0.000 2.716 311 N HA 0.223 4.963 4.740 -0.000 0.000 0.245 311 N C -1.728 173.858 175.510 0.126 0.000 1.495 311 N CA -0.152 52.993 53.050 0.158 0.000 0.759 311 N CB 1.121 39.562 38.487 -0.076 0.000 1.261 311 N HN 0.741 nan 8.380 nan 0.000 0.515 312 T N 1.377 116.030 114.554 0.165 0.000 2.751 312 T HA 0.220 4.570 4.350 -0.000 0.000 0.290 312 T C 0.035 174.462 174.700 -0.456 0.000 0.919 312 T CA 0.257 62.291 62.100 -0.110 0.000 1.136 312 T CB 0.232 69.056 68.868 -0.073 0.000 0.875 312 T HN 0.266 nan 8.240 nan 0.000 0.532 313 S N 2.906 118.137 115.700 -0.782 0.000 2.654 313 S HA 0.692 5.162 4.470 -0.000 0.000 0.283 313 S C -0.814 172.965 174.600 -1.368 0.000 1.180 313 S CA -0.632 56.818 58.200 -1.249 0.000 1.021 313 S CB 0.779 62.735 63.200 -2.073 0.000 1.018 313 S HN 0.647 nan 8.310 nan 0.000 0.532 314 Y N -0.602 119.258 120.300 -0.733 0.000 2.677 314 Y HA 0.206 4.756 4.550 -0.000 0.000 0.334 314 Y C 1.716 177.544 175.900 -0.120 0.000 1.154 314 Y CA -1.066 56.885 58.100 -0.248 0.000 1.070 314 Y CB 1.256 39.664 38.460 -0.086 0.000 1.294 314 Y HN 0.749 nan 8.280 nan 0.000 0.475 315 S N -0.055 115.881 115.700 0.394 0.000 2.365 315 S HA -0.243 4.227 4.470 -0.000 0.000 0.221 315 S C 1.025 175.743 174.600 0.197 0.000 1.037 315 S CA 2.077 60.481 58.200 0.341 0.000 1.060 315 S CB -0.433 62.919 63.200 0.254 0.000 0.974 315 S HN 0.869 nan 8.310 nan 0.000 0.427 316 D N -0.075 120.407 120.400 0.137 0.000 2.369 316 D HA 0.231 4.871 4.640 -0.000 0.000 0.211 316 D C 0.885 177.249 176.300 0.108 0.000 1.077 316 D CA 0.457 54.520 54.000 0.105 0.000 0.842 316 D CB 0.413 41.257 40.800 0.074 0.000 0.947 316 D HN 0.475 nan 8.370 nan 0.000 0.509 317 T N -1.893 112.735 114.554 0.123 0.000 2.627 317 T HA 0.598 4.948 4.350 -0.000 0.000 0.294 317 T C -1.205 173.578 174.700 0.138 0.000 1.230 317 T CA 0.137 62.333 62.100 0.160 0.000 1.084 317 T CB 1.338 70.356 68.868 0.249 0.000 1.693 317 T HN 0.329 nan 8.240 nan 0.000 0.465 318 G N -0.167 108.780 108.800 0.244 0.000 2.320 318 G HA2 0.502 4.462 3.960 -0.000 0.000 0.296 318 G HA3 0.502 4.462 3.960 -0.000 0.000 0.296 318 G C -2.428 172.620 174.900 0.246 0.000 1.306 318 G CA -0.670 44.498 45.100 0.114 0.000 0.836 318 G HN 0.765 nan 8.290 nan 0.000 0.517 319 L N 0.446 121.774 121.223 0.176 0.000 2.446 319 L HA 0.496 4.836 4.340 -0.000 0.000 0.268 319 L C -1.422 175.663 176.870 0.359 0.000 0.975 319 L CA -0.528 54.486 54.840 0.289 0.000 0.848 319 L CB 2.066 44.340 42.059 0.358 0.000 1.225 319 L HN 0.528 nan 8.230 nan 0.000 0.410 320 F N 3.211 123.204 119.950 0.072 0.000 2.388 320 F HA 0.786 5.313 4.527 -0.000 0.000 0.358 320 F C 0.376 176.135 175.800 -0.067 0.000 1.122 320 F CA 0.031 58.000 58.000 -0.052 0.000 1.056 320 F CB 1.232 40.118 39.000 -0.190 0.000 1.155 320 F HN 0.430 nan 8.300 nan 0.000 0.461 321 G N 4.423 112.684 108.800 -0.900 0.000 2.677 321 G HA2 0.539 4.499 3.960 -0.000 0.000 0.283 321 G HA3 0.539 4.499 3.960 -0.000 0.000 0.283 321 G C -1.816 172.478 174.900 -1.010 0.000 1.221 321 G CA -0.371 44.326 45.100 -0.671 0.000 0.851 321 G HN 0.777 nan 8.290 nan 0.000 0.504 322 F N -1.000 118.583 119.950 -0.612 0.000 2.668 322 F HA 0.812 5.339 4.527 -0.000 0.000 0.309 322 F C -1.231 174.659 175.800 0.150 0.000 1.117 322 F CA -1.291 56.567 58.000 -0.236 0.000 0.951 322 F CB 1.806 40.670 39.000 -0.226 0.000 1.323 322 F HN 0.761 nan 8.300 nan 0.000 0.451 323 H N 2.292 121.668 119.070 0.509 0.000 2.771 323 H HA 0.671 5.227 4.556 -0.000 0.000 0.361 323 H C -2.199 173.391 175.328 0.436 0.000 1.108 323 H CA -0.839 55.401 56.048 0.319 0.000 1.201 323 H CB 2.359 32.328 29.762 0.345 0.000 1.681 323 H HN 0.831 nan 8.280 nan 0.000 0.534 324 F N 2.100 121.870 119.950 -0.300 0.000 2.626 324 F HA 0.624 5.151 4.527 -0.000 0.000 0.311 324 F C -2.080 173.449 175.800 -0.451 0.000 1.088 324 F CA -1.048 56.806 58.000 -0.243 0.000 0.949 324 F CB 0.872 39.867 39.000 -0.008 0.000 1.322 324 F HN 0.139 nan 8.300 nan 0.000 0.461 325 V N 2.217 122.151 119.914 0.033 0.000 2.444 325 V HA 0.912 5.032 4.120 -0.000 0.000 0.294 325 V C -0.221 175.947 176.094 0.124 0.000 1.022 325 V CA -0.165 62.033 62.300 -0.171 0.000 0.850 325 V CB 0.672 32.273 31.823 -0.369 0.000 0.992 325 V HN 1.300 nan 8.190 nan 0.000 0.426 326 A N 3.673 126.579 122.820 0.144 0.000 2.569 326 A HA 0.753 5.072 4.320 -0.000 0.000 0.290 326 A C -1.077 176.588 177.584 0.135 0.000 1.136 326 A CA -0.807 51.355 52.037 0.209 0.000 0.710 326 A CB 1.303 20.417 19.000 0.190 0.000 1.303 326 A HN 0.681 nan 8.150 nan 0.000 0.413 327 D N 1.525 122.031 120.400 0.178 0.000 2.313 327 D HA 0.255 4.895 4.640 -0.000 0.000 0.247 327 D C -1.392 174.962 176.300 0.090 0.000 1.094 327 D CA -0.999 53.078 54.000 0.129 0.000 0.925 327 D CB 1.019 41.912 40.800 0.155 0.000 1.188 327 D HN 0.249 nan 8.370 nan 0.000 0.430 328 P HA -0.181 nan 4.420 nan 0.000 0.217 328 P C 1.289 178.618 177.300 0.048 0.000 1.158 328 P CA 1.217 64.351 63.100 0.057 0.000 0.887 328 P CB 0.237 31.964 31.700 0.044 0.000 0.792 329 L N -0.412 120.834 121.223 0.038 0.000 2.645 329 L HA 0.079 4.418 4.340 -0.000 0.000 0.235 329 L C 1.551 178.425 176.870 0.006 0.000 1.150 329 L CA 0.738 55.589 54.840 0.019 0.000 0.911 329 L CB -0.685 41.380 42.059 0.011 0.000 1.077 329 L HN 0.135 nan 8.230 nan 0.000 0.438 330 S N -2.903 112.808 115.700 0.017 0.000 2.733 330 S HA 0.231 4.701 4.470 -0.000 0.000 0.247 330 S C 1.387 175.973 174.600 -0.024 0.000 1.043 330 S CA -0.418 57.772 58.200 -0.016 0.000 1.066 330 S CB 0.033 63.223 63.200 -0.017 0.000 1.045 330 S HN 0.233 nan 8.310 nan 0.000 0.586 331 I N 2.251 122.846 120.570 0.043 0.000 2.163 331 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 331 I C 2.536 178.690 176.117 0.063 0.000 1.085 331 I CA 2.027 63.399 61.300 0.119 0.000 1.347 331 I CB -0.463 37.644 38.000 0.179 0.000 1.044 331 I HN 0.320 nan 8.210 nan 0.000 0.408 332 D N 1.078 121.495 120.400 0.029 0.000 2.104 332 D HA -0.219 4.421 4.640 -0.000 0.000 0.194 332 D C 1.825 178.117 176.300 -0.014 0.000 0.994 332 D CA 1.511 55.520 54.000 0.014 0.000 0.830 332 D CB -0.015 40.775 40.800 -0.017 0.000 0.959 332 D HN 0.218 nan 8.370 nan 0.000 0.452 333 D N -0.537 119.816 120.400 -0.078 0.000 2.117 333 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 333 D C 1.987 178.225 176.300 -0.103 0.000 0.987 333 D CA 0.726 54.665 54.000 -0.101 0.000 0.829 333 D CB -0.319 40.383 40.800 -0.163 0.000 0.961 333 D HN 0.254 nan 8.370 nan 0.000 0.460 334 M N 0.523 119.981 119.600 -0.237 0.000 2.065 334 M HA -0.186 4.294 4.480 -0.000 0.000 0.259 334 M C 2.098 178.107 176.300 -0.484 0.000 1.069 334 M CA 1.361 56.365 55.300 -0.493 0.000 1.110 334 M CB -0.455 31.615 32.600 -0.883 0.000 1.328 334 M HN -0.031 nan 8.290 nan 0.000 0.405 335 M N -0.433 119.010 119.600 -0.261 0.000 2.108 335 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 335 M C 1.927 178.178 176.300 -0.081 0.000 1.066 335 M CA 1.843 57.141 55.300 -0.003 0.000 1.107 335 M CB -0.980 31.739 32.600 0.198 0.000 1.356 335 M HN 0.424 nan 8.290 nan 0.000 0.406 336 F N 0.017 119.863 119.950 -0.172 0.000 2.095 336 F HA -0.275 4.251 4.527 -0.000 0.000 0.298 336 F C 2.152 177.821 175.800 -0.218 0.000 1.104 336 F CA 2.114 60.011 58.000 -0.170 0.000 1.232 336 F CB -0.811 38.094 39.000 -0.159 0.000 0.987 336 F HN 0.283 nan 8.300 nan 0.000 0.475 337 C N 0.450 119.630 119.300 -0.200 0.000 2.446 337 C HA -0.012 4.448 4.460 -0.000 0.000 0.277 337 C C 3.136 177.842 174.990 -0.473 0.000 1.275 337 C CA 0.903 59.733 59.018 -0.313 0.000 1.727 337 C CB -1.803 25.807 27.740 -0.217 0.000 2.010 337 C HN 0.670 nan 8.230 nan 0.000 0.486 338 A N 0.487 122.954 122.820 -0.589 0.000 1.841 338 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 338 A C 2.079 179.219 177.584 -0.740 0.000 1.199 338 A CA 1.792 53.299 52.037 -0.883 0.000 0.621 338 A CB -0.869 17.387 19.000 -1.241 0.000 0.835 338 A HN 0.728 nan 8.150 nan 0.000 0.445 339 Q N -0.804 118.687 119.800 -0.515 0.000 2.181 339 Q HA -0.150 4.190 4.340 -0.000 0.000 0.205 339 Q C 2.114 177.976 176.000 -0.230 0.000 0.980 339 Q CA 1.110 56.740 55.803 -0.289 0.000 0.862 339 Q CB -0.472 28.154 28.738 -0.186 0.000 0.905 339 Q HN 0.727 nan 8.270 nan 0.000 0.429 340 G N 1.135 109.699 108.800 -0.393 0.000 2.418 340 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 340 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 340 G C 1.285 176.076 174.900 -0.182 0.000 1.158 340 G CA 0.520 45.409 45.100 -0.351 0.000 0.771 340 G HN 0.193 nan 8.290 nan 0.000 0.545 341 E N -0.034 120.045 120.200 -0.203 0.000 2.150 341 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 341 E C 2.150 178.819 176.600 0.115 0.000 0.985 341 E CA 0.479 56.824 56.400 -0.092 0.000 0.814 341 E CB -0.265 29.323 29.700 -0.186 0.000 0.752 341 E HN 0.586 nan 8.360 nan 0.000 0.466 342 W N 0.508 121.754 121.300 -0.091 0.000 2.381 342 W HA -0.049 4.611 4.660 -0.000 0.000 0.301 342 W C 2.102 178.645 176.519 0.041 0.000 1.205 342 W CA 0.688 58.048 57.345 0.025 0.000 1.285 342 W CB -0.551 28.962 29.460 0.088 0.000 1.133 342 W HN 0.078 nan 8.180 nan 0.000 0.521 343 M N -0.332 119.412 119.600 0.240 0.000 2.213 343 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 343 M C 1.929 178.298 176.300 0.115 0.000 1.062 343 M CA 1.400 56.803 55.300 0.172 0.000 1.105 343 M CB -1.368 31.283 32.600 0.085 0.000 1.385 343 M HN 0.049 nan 8.290 nan 0.000 0.417 344 R N -0.078 120.460 120.500 0.063 0.000 2.081 344 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 344 R C 2.288 178.619 176.300 0.053 0.000 1.131 344 R CA 1.047 57.165 56.100 0.030 0.000 0.960 344 R CB -0.484 29.817 30.300 0.002 0.000 0.856 344 R HN 0.341 nan 8.270 nan 0.000 0.436 345 L N 0.042 121.316 121.223 0.084 0.000 2.013 345 L HA -0.315 4.025 4.340 -0.000 0.000 0.212 345 L C 2.620 179.517 176.870 0.046 0.000 1.073 345 L CA 1.426 56.308 54.840 0.070 0.000 0.753 345 L CB -0.571 41.539 42.059 0.085 0.000 0.890 345 L HN 0.363 nan 8.230 nan 0.000 0.432 346 C N -1.349 117.993 119.300 0.069 0.000 2.450 346 C HA -0.090 4.370 4.460 -0.000 0.000 0.279 346 C C 2.860 177.867 174.990 0.028 0.000 1.335 346 C CA 1.230 60.282 59.018 0.055 0.000 1.749 346 C CB -1.079 26.749 27.740 0.146 0.000 1.963 346 C HN 0.708 nan 8.230 nan 0.000 0.501 347 T N -2.006 112.577 114.554 0.048 0.000 3.018 347 T HA 0.056 4.406 4.350 -0.000 0.000 0.246 347 T C 0.887 175.595 174.700 0.013 0.000 1.026 347 T CA 1.014 63.131 62.100 0.028 0.000 1.081 347 T CB -0.173 68.728 68.868 0.054 0.000 0.970 347 T HN 0.470 nan 8.240 nan 0.000 0.475 348 S N 0.920 116.627 115.700 0.011 0.000 2.694 348 S HA 0.345 4.815 4.470 -0.000 0.000 0.232 348 S C -0.168 174.435 174.600 0.006 0.000 1.017 348 S CA -0.657 57.544 58.200 0.002 0.000 1.139 348 S CB -0.008 63.184 63.200 -0.013 0.000 1.247 348 S HN 0.278 nan 8.310 nan 0.000 0.452 349 T N 3.233 117.794 114.554 0.013 0.000 2.918 349 T HA 0.394 4.744 4.350 -0.000 0.000 0.302 349 T C 0.223 174.931 174.700 0.013 0.000 1.045 349 T CA 0.299 62.410 62.100 0.017 0.000 1.114 349 T CB 0.868 69.750 68.868 0.023 0.000 0.965 349 T HN 0.437 nan 8.240 nan 0.000 0.540 350 T N 2.942 117.505 114.554 0.015 0.000 2.895 350 T HA 0.219 4.569 4.350 -0.000 0.000 0.283 350 T C 1.277 175.987 174.700 0.017 0.000 1.014 350 T CA -0.882 61.226 62.100 0.013 0.000 1.037 350 T CB 1.586 70.461 68.868 0.011 0.000 1.006 350 T HN 0.498 nan 8.240 nan 0.000 0.468 351 E N 1.478 121.688 120.200 0.016 0.000 2.160 351 E HA -0.107 4.243 4.350 -0.000 0.000 0.195 351 E C 2.275 178.887 176.600 0.020 0.000 0.991 351 E CA 1.161 57.572 56.400 0.019 0.000 0.810 351 E CB -0.262 29.448 29.700 0.016 0.000 0.742 351 E HN 0.599 nan 8.360 nan 0.000 0.466 352 S N 1.315 117.025 115.700 0.017 0.000 2.359 352 S HA -0.178 4.291 4.470 -0.000 0.000 0.224 352 S C 1.893 176.507 174.600 0.022 0.000 1.035 352 S CA 1.211 59.422 58.200 0.018 0.000 1.018 352 S CB -0.291 62.917 63.200 0.014 0.000 0.876 352 S HN 0.340 nan 8.310 nan 0.000 0.448 353 E N 0.793 121.007 120.200 0.023 0.000 2.038 353 E HA -0.155 4.194 4.350 -0.000 0.000 0.195 353 E C 2.439 179.062 176.600 0.037 0.000 1.000 353 E CA 1.642 58.060 56.400 0.029 0.000 0.803 353 E CB -0.530 29.187 29.700 0.028 0.000 0.750 353 E HN 0.561 nan 8.360 nan 0.000 0.448 354 V N 0.100 120.036 119.914 0.037 0.000 2.427 354 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 354 V C 2.263 178.384 176.094 0.045 0.000 1.051 354 V CA 1.600 63.926 62.300 0.044 0.000 1.048 354 V CB -0.476 31.371 31.823 0.039 0.000 0.666 354 V HN 0.081 nan 8.190 nan 0.000 0.456 355 K N 0.795 121.217 120.400 0.036 0.000 2.074 355 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 355 K C 2.492 179.114 176.600 0.036 0.000 1.048 355 K CA 2.298 58.605 56.287 0.033 0.000 0.926 355 K CB -0.321 32.194 32.500 0.025 0.000 0.713 355 K HN 0.602 nan 8.250 nan 0.000 0.444 356 R N -0.229 120.295 120.500 0.040 0.000 2.093 356 R HA -0.004 4.336 4.340 -0.000 0.000 0.224 356 R C 2.174 178.519 176.300 0.076 0.000 1.101 356 R CA 1.014 57.143 56.100 0.048 0.000 0.979 356 R CB -0.162 30.162 30.300 0.040 0.000 0.877 356 R HN 0.179 nan 8.270 nan 0.000 0.441 357 A N 1.428 124.294 122.820 0.075 0.000 1.940 357 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 357 A C 1.948 179.605 177.584 0.122 0.000 1.176 357 A CA 1.553 53.652 52.037 0.104 0.000 0.631 357 A CB -0.262 18.791 19.000 0.089 0.000 0.814 357 A HN 0.319 nan 8.150 nan 0.000 0.446 358 K N -0.177 120.273 120.400 0.083 0.000 2.057 358 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 358 K C 1.750 178.379 176.600 0.048 0.000 1.049 358 K CA 1.390 57.717 56.287 0.066 0.000 0.931 358 K CB -0.195 32.337 32.500 0.054 0.000 0.714 358 K HN 0.414 nan 8.250 nan 0.000 0.440 359 N N 0.429 119.153 118.700 0.039 0.000 2.188 359 N HA -0.177 4.563 4.740 -0.000 0.000 0.184 359 N C 1.792 177.307 175.510 0.009 0.000 1.018 359 N CA 1.281 54.329 53.050 -0.003 0.000 0.858 359 N CB -0.389 38.093 38.487 -0.008 0.000 0.989 359 N HN 0.330 nan 8.380 nan 0.000 0.426 360 H N 0.562 119.629 119.070 -0.005 0.000 2.353 360 H HA -0.004 4.552 4.556 -0.000 0.000 0.300 360 H C 1.980 177.309 175.328 0.002 0.000 1.090 360 H CA 1.091 57.141 56.048 0.004 0.000 1.327 360 H CB -0.258 29.521 29.762 0.029 0.000 1.383 360 H HN 0.047 nan 8.280 nan 0.000 0.508 361 L N 0.638 121.876 121.223 0.025 0.000 2.056 361 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 361 L C 2.281 179.100 176.870 -0.084 0.000 1.078 361 L CA 1.510 56.331 54.840 -0.031 0.000 0.749 361 L CB -0.535 41.543 42.059 0.033 0.000 0.901 361 L HN 0.196 nan 8.230 nan 0.000 0.433 362 R N -0.992 119.480 120.500 -0.047 0.000 2.080 362 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 362 R C 2.209 178.478 176.300 -0.052 0.000 1.137 362 R CA 1.713 57.803 56.100 -0.017 0.000 0.943 362 R CB -0.768 29.509 30.300 -0.037 0.000 0.846 362 R HN 0.380 nan 8.270 nan 0.000 0.431 363 S N 0.897 116.525 115.700 -0.119 0.000 2.383 363 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 363 S C 2.070 176.587 174.600 -0.139 0.000 1.030 363 S CA 1.290 59.413 58.200 -0.128 0.000 1.002 363 S CB -0.226 62.876 63.200 -0.163 0.000 0.829 363 S HN 0.491 nan 8.310 nan 0.000 0.467 364 A N 2.665 125.361 122.820 -0.207 0.000 1.855 364 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 364 A C 2.263 179.788 177.584 -0.099 0.000 1.191 364 A CA 1.835 53.763 52.037 -0.182 0.000 0.613 364 A CB -0.812 18.058 19.000 -0.216 0.000 0.829 364 A HN 0.670 nan 8.150 nan 0.000 0.442 365 M N -1.047 118.500 119.600 -0.087 0.000 2.117 365 M HA -0.077 4.403 4.480 -0.000 0.000 0.262 365 M C 1.817 178.130 176.300 0.022 0.000 1.065 365 M CA 2.143 57.418 55.300 -0.042 0.000 1.114 365 M CB -0.896 31.681 32.600 -0.039 0.000 1.361 365 M HN 0.026 nan 8.290 nan 0.000 0.408 366 V N 1.709 121.643 119.914 0.033 0.000 2.343 366 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 366 V C 3.025 179.129 176.094 0.018 0.000 1.051 366 V CA 2.048 64.379 62.300 0.052 0.000 1.036 366 V CB -1.290 30.579 31.823 0.078 0.000 0.654 366 V HN 0.686 nan 8.190 nan 0.000 0.451 367 A N -0.873 121.941 122.820 -0.010 0.000 2.121 367 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 367 A C 2.059 179.638 177.584 -0.008 0.000 1.154 367 A CA 1.289 53.316 52.037 -0.016 0.000 0.679 367 A CB -0.391 18.587 19.000 -0.038 0.000 0.795 367 A HN 0.671 nan 8.150 nan 0.000 0.458 368 Q N -0.791 119.006 119.800 -0.004 0.000 2.444 368 Q HA 0.181 4.521 4.340 -0.000 0.000 0.206 368 Q C 0.040 176.040 176.000 0.000 0.000 0.948 368 Q CA 0.343 56.148 55.803 0.002 0.000 0.946 368 Q CB 0.026 28.770 28.738 0.010 0.000 1.027 368 Q HN 0.640 nan 8.270 nan 0.000 0.513 369 L N 0.600 121.823 121.223 0.001 0.000 3.168 369 L HA 0.305 4.645 4.340 -0.000 0.000 0.277 369 L C -0.433 176.434 176.870 -0.005 0.000 1.308 369 L CA -0.358 54.476 54.840 -0.010 0.000 0.976 369 L CB 0.419 42.472 42.059 -0.009 0.000 1.383 369 L HN -0.091 nan 8.230 nan 0.000 0.572 370 D N 1.560 121.959 120.400 -0.001 0.000 2.557 370 D HA 0.551 5.191 4.640 -0.000 0.000 0.236 370 D C 0.414 176.718 176.300 0.007 0.000 1.154 370 D CA 0.320 54.322 54.000 0.003 0.000 0.985 370 D CB 0.568 41.371 40.800 0.005 0.000 1.010 370 D HN 0.411 nan 8.370 nan 0.000 0.516 371 G N 0.773 109.575 108.800 0.004 0.000 2.353 371 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.424 371 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.424 371 G C 0.773 175.676 174.900 0.004 0.000 1.320 371 G CA -0.054 45.052 45.100 0.011 0.000 0.995 371 G HN 0.254 nan 8.290 nan 0.000 0.580 372 T N -3.061 111.503 114.554 0.016 0.000 2.894 372 T HA 0.052 4.402 4.350 -0.000 0.000 0.258 372 T C 2.339 177.044 174.700 0.007 0.000 1.043 372 T CA 2.535 64.643 62.100 0.012 0.000 1.141 372 T CB -0.657 68.229 68.868 0.030 0.000 0.873 372 T HN 0.721 nan 8.240 nan 0.000 0.449 373 T N 3.438 118.006 114.554 0.022 0.000 2.635 373 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 373 T C -0.347 174.320 174.700 -0.055 0.000 1.040 373 T CA 1.720 63.806 62.100 -0.022 0.000 1.156 373 T CB -1.378 67.488 68.868 -0.004 0.000 0.863 373 T HN 0.454 nan 8.240 nan 0.000 0.430 374 P HA 0.041 nan 4.420 nan 0.000 0.220 374 P C 1.551 178.807 177.300 -0.073 0.000 1.148 374 P CA 0.730 63.809 63.100 -0.035 0.000 0.803 374 P CB -0.189 31.505 31.700 -0.010 0.000 0.782 375 V N -0.122 119.747 119.914 -0.076 0.000 2.488 375 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 375 V C 2.946 178.929 176.094 -0.186 0.000 1.046 375 V CA 1.691 63.923 62.300 -0.112 0.000 1.053 375 V CB -1.414 30.360 31.823 -0.080 0.000 0.679 375 V HN 0.217 nan 8.190 nan 0.000 0.458 376 C N 0.397 119.595 119.300 -0.170 0.000 2.440 376 C HA -0.111 4.349 4.460 -0.000 0.000 0.278 376 C C 2.862 177.439 174.990 -0.687 0.000 1.295 376 C CA 1.529 60.382 59.018 -0.275 0.000 1.738 376 C CB -0.534 27.185 27.740 -0.035 0.000 1.987 376 C HN 0.705 nan 8.230 nan 0.000 0.492 377 E N 0.482 120.424 120.200 -0.430 0.000 2.077 377 E HA -0.148 4.201 4.350 -0.000 0.000 0.193 377 E C 2.075 178.370 176.600 -0.509 0.000 0.989 377 E CA 2.361 58.513 56.400 -0.412 0.000 0.800 377 E CB -0.534 29.175 29.700 0.014 0.000 0.746 377 E HN 0.586 nan 8.360 nan 0.000 0.452 378 T N 0.694 115.049 114.554 -0.332 0.000 2.708 378 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 378 T C 1.882 176.357 174.700 -0.375 0.000 1.037 378 T CA 1.545 63.483 62.100 -0.269 0.000 1.146 378 T CB -0.279 68.430 68.868 -0.266 0.000 0.865 378 T HN 0.158 nan 8.240 nan 0.000 0.435 379 I N 1.044 121.349 120.570 -0.443 0.000 2.142 379 I HA -0.134 4.036 4.170 -0.000 0.000 0.240 379 I C 2.952 178.832 176.117 -0.396 0.000 1.078 379 I CA 1.423 62.503 61.300 -0.367 0.000 1.343 379 I CB -0.936 36.880 38.000 -0.307 0.000 1.046 379 I HN 0.325 nan 8.210 nan 0.000 0.405 380 G N 0.174 108.504 108.800 -0.784 0.000 2.505 380 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 380 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 380 G C 1.738 176.400 174.900 -0.397 0.000 1.145 380 G CA 1.313 45.945 45.100 -0.780 0.000 0.761 380 G HN 0.397 nan 8.290 nan 0.000 0.571 381 S N -0.430 115.021 115.700 -0.415 0.000 2.336 381 S HA -0.017 4.453 4.470 -0.000 0.000 0.216 381 S C 1.918 176.419 174.600 -0.166 0.000 1.032 381 S CA 0.695 58.770 58.200 -0.208 0.000 0.973 381 S CB -0.601 62.504 63.200 -0.158 0.000 0.888 381 S HN 0.554 nan 8.310 nan 0.000 0.455 382 H N 1.106 120.061 119.070 -0.192 0.000 2.362 382 H HA -0.112 4.444 4.556 -0.000 0.000 0.294 382 H C 2.090 177.400 175.328 -0.030 0.000 1.113 382 H CA 1.535 57.586 56.048 0.006 0.000 1.253 382 H CB -0.271 29.540 29.762 0.082 0.000 1.363 382 H HN 0.240 nan 8.280 nan 0.000 0.494 383 L N -0.132 121.120 121.223 0.047 0.000 2.005 383 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 383 L C 2.566 179.423 176.870 -0.021 0.000 1.072 383 L CA 0.457 55.306 54.840 0.015 0.000 0.744 383 L CB -0.276 41.780 42.059 -0.005 0.000 0.895 383 L HN 0.186 nan 8.230 nan 0.000 0.433 384 L N 0.088 121.280 121.223 -0.051 0.000 2.127 384 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 384 L C 2.143 178.941 176.870 -0.120 0.000 1.089 384 L CA 1.770 56.583 54.840 -0.045 0.000 0.757 384 L CB -0.801 41.256 42.059 -0.004 0.000 0.899 384 L HN 0.336 nan 8.230 nan 0.000 0.434 385 N N -2.543 115.967 118.700 -0.316 0.000 2.499 385 N HA -0.034 4.706 4.740 -0.000 0.000 0.182 385 N C 1.444 176.718 175.510 -0.392 0.000 1.034 385 N CA 0.828 53.558 53.050 -0.534 0.000 0.882 385 N CB 0.006 37.684 38.487 -1.348 0.000 1.125 385 N HN 0.324 nan 8.380 nan 0.000 0.436 386 Y N 0.016 120.237 120.300 -0.132 0.000 2.458 386 Y HA 0.356 4.906 4.550 -0.000 0.000 0.254 386 Y C 1.568 177.446 175.900 -0.037 0.000 1.120 386 Y CA 0.032 58.090 58.100 -0.069 0.000 1.282 386 Y CB 0.046 38.423 38.460 -0.137 0.000 1.109 386 Y HN 0.076 nan 8.280 nan 0.000 0.526 387 G N 1.377 110.231 108.800 0.089 0.000 2.160 387 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.251 387 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.251 387 G C 0.165 175.099 174.900 0.056 0.000 1.008 387 G CA 0.450 45.587 45.100 0.061 0.000 0.724 387 G HN 0.568 nan 8.290 nan 0.000 0.514 388 R N -2.956 117.590 120.500 0.077 0.000 2.993 388 R HA 0.612 4.952 4.340 -0.000 0.000 0.288 388 R C -1.089 175.257 176.300 0.078 0.000 0.982 388 R CA -1.070 55.054 56.100 0.040 0.000 0.832 388 R CB 0.387 30.688 30.300 0.001 0.000 1.340 388 R HN 0.343 nan 8.270 nan 0.000 0.516 389 R N 1.441 121.952 120.500 0.019 0.000 2.368 389 R HA 0.546 4.886 4.340 -0.000 0.000 0.302 389 R C -0.889 175.388 176.300 -0.039 0.000 1.002 389 R CA -0.528 55.597 56.100 0.042 0.000 0.929 389 R CB 0.883 31.134 30.300 -0.082 0.000 1.073 389 R HN 0.649 nan 8.270 nan 0.000 0.464 390 I N 4.272 124.875 120.570 0.054 0.000 2.354 390 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 390 I C 0.134 176.017 176.117 -0.389 0.000 1.007 390 I CA -0.742 60.309 61.300 -0.414 0.000 1.167 390 I CB 1.592 38.939 38.000 -1.089 0.000 1.320 390 I HN 0.815 nan 8.210 nan 0.000 0.458 391 S N 6.009 121.518 115.700 -0.317 0.000 2.593 391 S HA 0.293 4.763 4.470 -0.000 0.000 0.269 391 S C 1.175 175.683 174.600 -0.153 0.000 1.334 391 S CA -0.635 57.444 58.200 -0.202 0.000 1.015 391 S CB 1.186 64.295 63.200 -0.152 0.000 0.912 391 S HN 0.603 nan 8.310 nan 0.000 0.541 392 L N 0.714 121.928 121.223 -0.015 0.000 2.079 392 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 392 L C 2.910 179.816 176.870 0.060 0.000 1.081 392 L CA 2.052 56.961 54.840 0.116 0.000 0.752 392 L CB -0.721 41.389 42.059 0.085 0.000 0.896 392 L HN 0.959 nan 8.230 nan 0.000 0.433 393 E N 0.440 120.616 120.200 -0.040 0.000 2.118 393 E HA -0.300 4.050 4.350 -0.000 0.000 0.195 393 E C 2.069 178.652 176.600 -0.028 0.000 0.992 393 E CA 1.647 58.011 56.400 -0.060 0.000 0.804 393 E CB 0.036 29.683 29.700 -0.089 0.000 0.741 393 E HN 0.499 nan 8.360 nan 0.000 0.458 394 E N -0.348 119.807 120.200 -0.075 0.000 2.028 394 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 394 E C 1.838 178.465 176.600 0.045 0.000 0.984 394 E CA 0.902 57.246 56.400 -0.094 0.000 0.800 394 E CB -0.328 29.217 29.700 -0.259 0.000 0.758 394 E HN 0.443 nan 8.360 nan 0.000 0.448 395 W N 1.742 123.040 121.300 -0.004 0.000 2.302 395 W HA -0.272 4.388 4.660 -0.000 0.000 0.320 395 W C 2.364 178.905 176.519 0.037 0.000 1.241 395 W CA 0.832 58.187 57.345 0.017 0.000 1.264 395 W CB -0.288 29.194 29.460 0.036 0.000 1.154 395 W HN 0.279 nan 8.180 nan 0.000 0.483 396 D N -0.217 120.369 120.400 0.311 0.000 2.149 396 D HA -0.218 4.422 4.640 -0.000 0.000 0.198 396 D C 2.165 178.565 176.300 0.167 0.000 0.990 396 D CA 1.824 55.958 54.000 0.224 0.000 0.839 396 D CB -0.282 40.634 40.800 0.194 0.000 0.948 396 D HN 0.102 nan 8.370 nan 0.000 0.460 397 S N -0.009 115.767 115.700 0.127 0.000 2.353 397 S HA -0.174 4.296 4.470 -0.000 0.000 0.222 397 S C 2.104 176.768 174.600 0.107 0.000 1.035 397 S CA 1.149 59.402 58.200 0.089 0.000 1.025 397 S CB -0.061 63.168 63.200 0.048 0.000 0.902 397 S HN 0.266 nan 8.310 nan 0.000 0.440 398 R N 0.329 120.917 120.500 0.147 0.000 2.070 398 R HA 0.023 4.363 4.340 -0.000 0.000 0.233 398 R C 2.405 178.791 176.300 0.144 0.000 1.137 398 R CA 1.862 58.058 56.100 0.160 0.000 0.945 398 R CB -0.623 29.830 30.300 0.254 0.000 0.845 398 R HN 0.470 nan 8.270 nan 0.000 0.430 399 I N 0.613 121.280 120.570 0.162 0.000 2.264 399 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 399 I C 1.985 178.160 176.117 0.097 0.000 1.111 399 I CA 1.252 62.622 61.300 0.117 0.000 1.382 399 I CB -0.229 37.838 38.000 0.112 0.000 1.060 399 I HN 0.115 nan 8.210 nan 0.000 0.418 400 S N 0.555 116.316 115.700 0.102 0.000 2.453 400 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 400 S C 2.059 176.699 174.600 0.067 0.000 1.005 400 S CA 0.996 59.245 58.200 0.083 0.000 0.949 400 S CB -0.113 63.140 63.200 0.088 0.000 0.774 400 S HN 0.537 nan 8.310 nan 0.000 0.510 401 A N 1.007 123.868 122.820 0.068 0.000 2.167 401 A HA 0.223 4.543 4.320 -0.000 0.000 0.214 401 A C 0.862 178.476 177.584 0.050 0.000 1.151 401 A CA 0.144 52.214 52.037 0.055 0.000 0.735 401 A CB -0.188 18.845 19.000 0.055 0.000 0.802 401 A HN 0.265 nan 8.150 nan 0.000 0.467 402 V N 2.776 122.723 119.914 0.055 0.000 2.555 402 V HA 0.280 4.400 4.120 -0.000 0.000 0.286 402 V C -0.221 175.897 176.094 0.040 0.000 1.044 402 V CA -0.197 62.131 62.300 0.047 0.000 1.026 402 V CB 0.760 32.615 31.823 0.052 0.000 0.981 402 V HN 0.665 nan 8.190 nan 0.000 0.480 403 D N 3.714 124.133 120.400 0.033 0.000 2.552 403 D HA 0.518 5.158 4.640 -0.000 0.000 0.239 403 D C 0.715 177.029 176.300 0.024 0.000 1.139 403 D CA -0.072 53.945 54.000 0.028 0.000 0.914 403 D CB 2.110 42.925 40.800 0.024 0.000 1.461 403 D HN 0.434 nan 8.370 nan 0.000 0.462 404 A N 1.229 124.062 122.820 0.022 0.000 1.873 404 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 404 A C 2.085 179.676 177.584 0.013 0.000 1.269 404 A CA 2.398 54.445 52.037 0.018 0.000 0.671 404 A CB -0.831 18.179 19.000 0.016 0.000 0.842 404 A HN 0.651 nan 8.150 nan 0.000 0.460 405 R N -0.743 119.763 120.500 0.010 0.000 2.153 405 R HA -0.216 4.123 4.340 -0.000 0.000 0.252 405 R C 2.178 178.481 176.300 0.004 0.000 1.158 405 R CA 2.376 58.480 56.100 0.006 0.000 0.975 405 R CB -0.611 29.693 30.300 0.006 0.000 0.871 405 R HN 0.722 nan 8.270 nan 0.000 0.450 406 M N -0.354 119.252 119.600 0.010 0.000 2.236 406 M HA -0.115 4.365 4.480 -0.000 0.000 0.266 406 M C 2.017 178.319 176.300 0.004 0.000 1.070 406 M CA 1.076 56.382 55.300 0.010 0.000 1.137 406 M CB 0.201 32.811 32.600 0.018 0.000 1.378 406 M HN -0.067 nan 8.290 nan 0.000 0.426 407 V N 0.655 120.572 119.914 0.006 0.000 2.295 407 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 407 V C 2.315 178.402 176.094 -0.012 0.000 1.049 407 V CA 1.890 64.189 62.300 -0.001 0.000 1.024 407 V CB -0.888 30.944 31.823 0.015 0.000 0.648 407 V HN 0.479 nan 8.190 nan 0.000 0.447 408 R N 0.054 120.551 120.500 -0.005 0.000 2.083 408 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 408 R C 2.126 178.414 176.300 -0.022 0.000 1.137 408 R CA 1.891 57.984 56.100 -0.010 0.000 0.951 408 R CB -0.570 29.725 30.300 -0.008 0.000 0.851 408 R HN 0.572 nan 8.270 nan 0.000 0.434 409 D N 0.193 120.582 120.400 -0.018 0.000 2.097 409 D HA -0.118 4.521 4.640 -0.000 0.000 0.195 409 D C 2.067 178.360 176.300 -0.013 0.000 0.989 409 D CA 1.063 55.050 54.000 -0.022 0.000 0.827 409 D CB -0.329 40.462 40.800 -0.014 0.000 0.966 409 D HN 0.010 nan 8.370 nan 0.000 0.456 410 V N 1.038 120.951 119.914 -0.002 0.000 2.295 410 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 410 V C 2.797 178.905 176.094 0.024 0.000 1.049 410 V CA 1.383 63.703 62.300 0.034 0.000 1.024 410 V CB -0.557 31.255 31.823 -0.019 0.000 0.648 410 V HN 0.281 nan 8.190 nan 0.000 0.447 411 C N -0.426 118.830 119.300 -0.073 0.000 2.432 411 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 411 C C 3.149 178.096 174.990 -0.071 0.000 1.249 411 C CA 1.424 60.355 59.018 -0.144 0.000 1.725 411 C CB -1.111 26.555 27.740 -0.123 0.000 2.028 411 C HN 0.617 nan 8.230 nan 0.000 0.477 412 S N 0.429 116.115 115.700 -0.024 0.000 2.359 412 S HA -0.277 4.193 4.470 -0.000 0.000 0.223 412 S C 1.892 176.489 174.600 -0.005 0.000 1.039 412 S CA 1.883 60.091 58.200 0.014 0.000 1.042 412 S CB -0.449 62.719 63.200 -0.053 0.000 0.915 412 S HN 0.707 nan 8.310 nan 0.000 0.439 413 K N -0.446 119.917 120.400 -0.061 0.000 2.211 413 K HA -0.145 4.174 4.320 -0.000 0.000 0.204 413 K C 1.289 177.671 176.600 -0.363 0.000 1.047 413 K CA 1.395 57.571 56.287 -0.186 0.000 0.935 413 K CB -0.104 32.273 32.500 -0.206 0.000 0.728 413 K HN 0.453 nan 8.250 nan 0.000 0.452 414 Y N -0.921 119.257 120.300 -0.203 0.000 2.535 414 Y HA 0.207 4.757 4.550 -0.000 0.000 0.266 414 Y C 1.627 177.364 175.900 -0.271 0.000 1.088 414 Y CA -0.031 57.907 58.100 -0.270 0.000 1.285 414 Y CB 0.543 38.746 38.460 -0.429 0.000 1.166 414 Y HN -0.063 nan 8.280 nan 0.000 0.525 415 I N -2.320 118.169 120.570 -0.135 0.000 3.136 415 I HA -0.073 4.097 4.170 -0.000 0.000 0.262 415 I C 0.198 176.308 176.117 -0.012 0.000 1.132 415 I CA -0.099 61.097 61.300 -0.173 0.000 1.450 415 I CB -0.164 37.617 38.000 -0.366 0.000 1.315 415 I HN -0.119 nan 8.210 nan 0.000 0.460 416 Y N 4.080 124.356 120.300 -0.040 0.000 2.852 416 Y HA -0.187 4.363 4.550 -0.000 0.000 0.343 416 Y C 0.660 176.598 175.900 0.064 0.000 1.280 416 Y CA 0.578 58.704 58.100 0.043 0.000 1.604 416 Y CB -0.264 38.218 38.460 0.036 0.000 1.216 416 Y HN 0.234 nan 8.280 nan 0.000 0.541 417 D N 2.858 123.039 120.400 -0.365 0.000 2.723 417 D HA -0.218 4.422 4.640 -0.000 0.000 0.236 417 D C -1.072 175.232 176.300 0.006 0.000 1.138 417 D CA 0.694 54.615 54.000 -0.132 0.000 0.676 417 D CB -0.557 40.183 40.800 -0.101 0.000 1.069 417 D HN 0.373 nan 8.370 nan 0.000 0.430 418 K N -0.150 120.268 120.400 0.030 0.000 2.156 418 K HA 0.494 4.814 4.320 -0.000 0.000 0.254 418 K C -0.092 176.585 176.600 0.128 0.000 0.950 418 K CA -0.604 55.724 56.287 0.068 0.000 0.849 418 K CB 1.608 34.133 32.500 0.042 0.000 1.100 418 K HN 0.134 nan 8.250 nan 0.000 0.434 419 C N 4.474 123.882 119.300 0.180 0.000 2.442 419 C HA 0.274 4.734 4.460 -0.000 0.000 0.362 419 C C -1.423 173.771 174.990 0.340 0.000 1.242 419 C CA -1.123 58.055 59.018 0.266 0.000 1.741 419 C CB -0.473 27.429 27.740 0.269 0.000 2.378 419 C HN 0.535 nan 8.230 nan 0.000 0.549 420 P HA 0.463 nan 4.420 nan 0.000 0.279 420 P C -0.954 176.539 177.300 0.322 0.000 1.276 420 P CA -0.199 63.099 63.100 0.329 0.000 0.801 420 P CB 1.108 32.939 31.700 0.219 0.000 1.127 421 A N 0.839 123.805 122.820 0.243 0.000 2.318 421 A HA 0.626 4.946 4.320 -0.000 0.000 0.324 421 A C -1.000 176.612 177.584 0.046 0.000 1.170 421 A CA -0.583 51.486 52.037 0.054 0.000 0.810 421 A CB 0.302 19.238 19.000 -0.106 0.000 1.198 421 A HN 0.537 nan 8.150 nan 0.000 0.484 422 L N 2.280 123.525 121.223 0.036 0.000 2.386 422 L HA 0.886 5.226 4.340 -0.000 0.000 0.271 422 L C -0.283 176.566 176.870 -0.034 0.000 0.993 422 L CA -0.146 54.690 54.840 -0.007 0.000 0.819 422 L CB 1.918 44.005 42.059 0.047 0.000 1.294 422 L HN 0.953 nan 8.230 nan 0.000 0.414 423 A N 4.051 126.836 122.820 -0.058 0.000 2.359 423 A HA 0.975 5.294 4.320 -0.000 0.000 0.303 423 A C -1.129 176.437 177.584 -0.029 0.000 1.066 423 A CA 0.019 52.041 52.037 -0.025 0.000 0.730 423 A CB 1.436 20.448 19.000 0.022 0.000 1.211 423 A HN 1.249 nan 8.150 nan 0.000 0.439 424 A N 1.699 124.515 122.820 -0.007 0.000 2.422 424 A HA 0.779 5.099 4.320 -0.000 0.000 0.302 424 A C -1.168 176.446 177.584 0.050 0.000 1.041 424 A CA -0.496 51.540 52.037 -0.001 0.000 0.708 424 A CB 1.535 20.522 19.000 -0.021 0.000 1.257 424 A HN 1.406 nan 8.150 nan 0.000 0.414 425 V N 1.378 121.343 119.914 0.086 0.000 2.760 425 V HA 0.890 5.010 4.120 -0.000 0.000 0.309 425 V C 0.644 176.797 176.094 0.099 0.000 1.077 425 V CA 0.536 62.900 62.300 0.107 0.000 0.910 425 V CB 1.199 33.102 31.823 0.134 0.000 1.008 425 V HN 2.443 nan 8.190 nan 0.000 0.424 426 G N 5.242 114.088 108.800 0.076 0.000 2.378 426 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.198 426 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.198 426 G C -2.976 171.957 174.900 0.055 0.000 1.223 426 G CA -0.242 44.901 45.100 0.072 0.000 1.088 426 G HN 0.630 nan 8.290 nan 0.000 0.530 427 P HA 0.303 nan 4.420 nan 0.000 0.231 427 P C 1.017 178.345 177.300 0.046 0.000 1.811 427 P CA -0.029 63.096 63.100 0.043 0.000 1.051 427 P CB -0.902 30.823 31.700 0.042 0.000 1.951 428 I N -1.688 118.906 120.570 0.041 0.000 3.806 428 I HA 0.167 4.337 4.170 -0.000 0.000 0.321 428 I C 1.583 177.720 176.117 0.033 0.000 1.315 428 I CA -0.169 61.156 61.300 0.041 0.000 1.148 428 I CB -0.468 37.552 38.000 0.034 0.000 1.028 428 I HN 0.053 nan 8.210 nan 0.000 0.415 429 E N 1.890 122.107 120.200 0.028 0.000 2.130 429 E HA -0.318 4.032 4.350 -0.000 0.000 0.196 429 E C 2.130 178.743 176.600 0.022 0.000 0.998 429 E CA 1.543 57.956 56.400 0.021 0.000 0.806 429 E CB -0.039 29.671 29.700 0.017 0.000 0.738 429 E HN 0.729 nan 8.360 nan 0.000 0.459 430 Q N 0.107 119.923 119.800 0.027 0.000 2.369 430 Q HA -0.047 4.293 4.340 -0.000 0.000 0.206 430 Q C 0.260 176.279 176.000 0.032 0.000 0.963 430 Q CA 0.073 55.890 55.803 0.024 0.000 0.894 430 Q CB 0.138 28.889 28.738 0.023 0.000 0.965 430 Q HN 0.217 nan 8.270 nan 0.000 0.475 431 L N 1.042 122.292 121.223 0.046 0.000 2.292 431 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 431 L C -1.260 175.632 176.870 0.036 0.000 1.065 431 L CA -0.073 54.800 54.840 0.056 0.000 0.806 431 L CB 1.117 43.217 42.059 0.069 0.000 1.175 431 L HN 0.065 nan 8.230 nan 0.000 0.431 432 L N 3.733 124.975 121.223 0.031 0.000 2.775 432 L HA 0.462 4.802 4.340 -0.000 0.000 0.263 432 L C -1.608 175.276 176.870 0.024 0.000 1.017 432 L CA -0.396 54.459 54.840 0.026 0.000 0.891 432 L CB 1.861 43.933 42.059 0.021 0.000 1.482 432 L HN 0.822 nan 8.230 nan 0.000 0.410 433 D N 0.969 121.391 120.400 0.037 0.000 6.013 433 D HA -0.280 4.360 4.640 -0.000 0.000 0.242 433 D C 0.064 176.394 176.300 0.051 0.000 1.609 433 D CA 1.086 55.116 54.000 0.051 0.000 1.473 433 D CB -0.229 40.591 40.800 0.033 0.000 0.711 433 D HN 0.554 nan 8.370 nan 0.000 0.388 434 Y N 4.596 124.894 120.300 -0.003 0.000 2.165 434 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 434 Y C 2.032 177.938 175.900 0.010 0.000 1.155 434 Y CA 2.345 60.443 58.100 -0.003 0.000 1.164 434 Y CB -0.156 38.297 38.460 -0.011 0.000 0.978 434 Y HN 0.524 nan 8.280 nan 0.000 0.513 435 N N 0.152 118.905 118.700 0.088 0.000 2.061 435 N HA -0.205 4.535 4.740 -0.000 0.000 0.193 435 N C 1.857 177.339 175.510 -0.047 0.000 1.030 435 N CA 1.527 54.600 53.050 0.038 0.000 0.856 435 N CB -0.256 38.277 38.487 0.077 0.000 1.023 435 N HN 0.339 nan 8.380 nan 0.000 0.424 436 R N 0.944 121.418 120.500 -0.043 0.000 2.075 436 R HA 0.040 4.380 4.340 -0.000 0.000 0.232 436 R C 2.371 178.607 176.300 -0.106 0.000 1.126 436 R CA 0.505 56.576 56.100 -0.050 0.000 0.963 436 R CB -0.882 29.408 30.300 -0.017 0.000 0.858 436 R HN 0.378 nan 8.270 nan 0.000 0.435 437 I N 0.411 120.885 120.570 -0.161 0.000 2.226 437 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 437 I C 2.526 178.485 176.117 -0.262 0.000 1.100 437 I CA 1.067 62.244 61.300 -0.205 0.000 1.374 437 I CB -0.265 37.580 38.000 -0.258 0.000 1.057 437 I HN 0.007 nan 8.210 nan 0.000 0.413 438 R N 1.153 121.431 120.500 -0.371 0.000 2.159 438 R HA -0.103 4.237 4.340 -0.000 0.000 0.237 438 R C 2.037 178.258 176.300 -0.132 0.000 1.131 438 R CA 1.589 57.533 56.100 -0.260 0.000 0.982 438 R CB -0.489 29.684 30.300 -0.211 0.000 0.868 438 R HN 0.203 nan 8.270 nan 0.000 0.453 439 S N -1.154 114.439 115.700 -0.180 0.000 2.496 439 S HA 0.095 4.565 4.470 -0.000 0.000 0.224 439 S C 1.502 175.761 174.600 -0.569 0.000 0.996 439 S CA 0.675 58.652 58.200 -0.371 0.000 0.927 439 S CB 0.418 63.504 63.200 -0.191 0.000 0.774 439 S HN 0.608 nan 8.310 nan 0.000 0.524 440 G N 0.844 109.456 108.800 -0.313 0.000 2.848 440 G HA2 0.004 3.964 3.960 -0.000 0.000 0.208 440 G HA3 0.004 3.964 3.960 -0.000 0.000 0.208 440 G C 0.919 175.687 174.900 -0.219 0.000 1.152 440 G CA 0.101 45.045 45.100 -0.260 0.000 0.789 440 G HN 0.335 nan 8.290 nan 0.000 0.531 441 M N 0.214 119.661 119.600 -0.255 0.000 2.494 441 M HA 0.296 4.776 4.480 -0.000 0.000 0.232 441 M C -0.335 175.818 176.300 -0.246 0.000 1.137 441 M CA -0.139 55.089 55.300 -0.121 0.000 1.012 441 M CB -1.046 31.547 32.600 -0.011 0.000 1.567 441 M HN 0.459 nan 8.290 nan 0.000 0.486 442 Y N -4.402 115.766 120.300 -0.220 0.000 2.624 442 Y HA 0.483 5.033 4.550 -0.000 0.000 0.334 442 Y C -0.903 175.121 175.900 0.207 0.000 1.155 442 Y CA -2.395 55.505 58.100 -0.334 0.000 1.046 442 Y CB 0.168 38.329 38.460 -0.499 0.000 1.316 442 Y HN 0.253 nan 8.280 nan 0.000 0.457 443 W N 2.782 124.322 121.300 0.400 0.000 3.098 443 W HA -0.092 4.568 4.660 -0.000 0.000 0.452 443 W C 0.403 177.007 176.519 0.142 0.000 1.839 443 W CA 0.098 57.623 57.345 0.299 0.000 0.464 443 W CB -0.757 28.854 29.460 0.252 0.000 2.860 443 W HN 1.141 nan 8.180 nan 0.000 0.426 444 I N 0.000 120.637 120.570 0.112 0.000 2.984 444 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 444 I CA 0.000 61.230 61.300 -0.117 0.000 1.566 444 I CB 0.000 37.881 38.000 -0.198 0.000 1.214 444 I HN 0.000 nan 8.210 nan 0.000 0.494