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 1hr8_1_A DATA FIRST_RESID 14 DATA SEQUENCE ARTDNFKLSS LANGLKVATS NTPGHFSALG LYIDAGSRFE GRNLKGCTHI DATA SEQUENCE LDRLAFKSTE HVEGRAMAET LELLGGNYQC TSSRENLMYQ ASVFNQDVGK DATA SEQUENCE MLQLMSETVR FPKITEQELQ EQKLSAEYEI DEVWMKPELV LPELLHTAAY DATA SEQUENCE SGETLGSPLI CPRGLIPSIS KYYLLDYRNK FYTPENTVAA FVGVPHEKAL DATA SEQUENCE ELTGKYLGDW QSTHPPITKK VAQYTGGESC IPPAPVFGNL PELFHIQIGF DATA SEQUENCE EGLPIDHPDI YALATLQTLL GGGGXXXXXG PGKGMYSRLY THVLNQYYFV DATA SEQUENCE ENCVAFNHSY SDSGIFGISL SCIPQAAPQA VEVIAQQMYN TFANKDLRLT DATA SEQUENCE EDEVSRAKNQ LKSSLLMNLE SKLVELEDMG RQVLMHGRKI PVNEMISKIE DATA SEQUENCE DLKPDDISRV AEMIFTGNVN NAGNGKGRAT VVMQGDRGSF GDVENVLKAY DATA SEQUENCE GLGNSSS 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.680 177.584 0.160 0.000 1.274 14 A CA 0.000 52.180 52.037 0.239 0.000 0.836 14 A CB 0.000 19.105 19.000 0.176 0.000 0.831 15 R N -0.009 120.543 120.500 0.086 0.000 2.075 15 R HA -0.038 4.302 4.340 -0.001 0.000 0.230 15 R C 2.055 178.383 176.300 0.046 0.000 1.140 15 R CA 2.169 58.301 56.100 0.053 0.000 0.928 15 R CB -0.666 29.653 30.300 0.032 0.000 0.834 15 R HN 0.556 nan 8.270 nan 0.000 0.429 16 T N 1.088 115.664 114.554 0.038 0.000 2.942 16 T HA -0.073 4.276 4.350 -0.001 0.000 0.265 16 T C 0.875 175.600 174.700 0.042 0.000 1.062 16 T CA 1.592 63.710 62.100 0.030 0.000 1.139 16 T CB -0.262 68.616 68.868 0.018 0.000 0.883 16 T HN 0.445 nan 8.240 nan 0.000 0.468 17 D N 1.049 121.484 120.400 0.059 0.000 2.378 17 D HA -0.033 4.607 4.640 -0.001 0.000 0.222 17 D C 0.870 177.233 176.300 0.106 0.000 0.980 17 D CA 0.261 54.307 54.000 0.076 0.000 0.907 17 D CB -0.529 40.318 40.800 0.079 0.000 0.899 17 D HN 0.254 nan 8.370 nan 0.000 0.527 18 N N -1.044 117.715 118.700 0.098 0.000 2.754 18 N HA -0.241 4.499 4.740 -0.001 0.000 0.248 18 N C -1.046 174.533 175.510 0.115 0.000 1.093 18 N CA 0.119 53.214 53.050 0.075 0.000 0.699 18 N CB -1.790 36.728 38.487 0.052 0.000 1.016 18 N HN 0.382 nan 8.380 nan 0.000 0.552 19 F N 1.317 121.265 119.950 -0.003 0.000 2.438 19 F HA 0.482 5.009 4.527 -0.001 0.000 0.356 19 F C 0.311 176.084 175.800 -0.044 0.000 1.099 19 F CA -0.115 57.885 58.000 0.000 0.000 1.185 19 F CB 0.557 39.562 39.000 0.009 0.000 1.115 19 F HN 0.057 nan 8.300 nan 0.000 0.526 20 K N 6.358 126.254 120.400 -0.840 0.000 2.422 20 K HA 0.683 5.003 4.320 -0.001 0.000 0.251 20 K C -1.949 174.057 176.600 -0.990 0.000 0.933 20 K CA -1.106 54.610 56.287 -0.952 0.000 0.798 20 K CB 2.557 34.499 32.500 -0.930 0.000 1.238 20 K HN 0.601 nan 8.250 nan 0.000 0.428 21 L N 1.147 121.922 121.223 -0.747 0.000 2.431 21 L HA 0.636 4.976 4.340 -0.001 0.000 0.266 21 L C -1.337 175.497 176.870 -0.059 0.000 0.978 21 L CA 0.153 54.825 54.840 -0.280 0.000 0.822 21 L CB 2.144 44.065 42.059 -0.229 0.000 1.310 21 L HN 0.874 nan 8.230 nan 0.000 0.409 22 S N 1.431 117.198 115.700 0.112 0.000 2.661 22 S HA 0.854 5.324 4.470 -0.001 0.000 0.268 22 S C -1.182 173.473 174.600 0.091 0.000 1.162 22 S CA -0.813 57.447 58.200 0.099 0.000 0.817 22 S CB 1.386 64.683 63.200 0.162 0.000 1.141 22 S HN 0.613 nan 8.310 nan 0.000 0.477 23 S N 0.230 115.968 115.700 0.063 0.000 2.568 23 S HA 0.674 5.143 4.470 -0.001 0.000 0.293 23 S C -0.524 174.099 174.600 0.039 0.000 1.089 23 S CA -0.882 57.348 58.200 0.051 0.000 0.945 23 S CB 0.973 64.195 63.200 0.035 0.000 1.077 23 S HN 0.632 nan 8.310 nan 0.000 0.485 24 L N 1.421 122.668 121.223 0.039 0.000 2.454 24 L HA 0.415 4.755 4.340 -0.001 0.000 0.256 24 L C 1.653 178.534 176.870 0.018 0.000 1.136 24 L CA -0.581 54.279 54.840 0.032 0.000 0.804 24 L CB 0.368 42.457 42.059 0.050 0.000 1.181 24 L HN 0.901 nan 8.230 nan 0.000 0.469 25 A N 1.033 123.863 122.820 0.016 0.000 2.070 25 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 25 A C 1.499 179.080 177.584 -0.005 0.000 1.159 25 A CA 1.626 53.668 52.037 0.008 0.000 0.656 25 A CB -0.794 18.213 19.000 0.011 0.000 0.800 25 A HN 0.912 nan 8.150 nan 0.000 0.453 26 N N -1.282 117.411 118.700 -0.012 0.000 2.461 26 N HA 0.251 4.991 4.740 -0.001 0.000 0.188 26 N C 1.010 176.464 175.510 -0.093 0.000 1.134 26 N CA 1.162 54.177 53.050 -0.058 0.000 0.878 26 N CB -0.250 38.190 38.487 -0.078 0.000 0.972 26 N HN 0.699 nan 8.380 nan 0.000 0.456 27 G N -0.651 108.119 108.800 -0.050 0.000 2.194 27 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.236 27 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.236 27 G C -0.257 174.619 174.900 -0.040 0.000 0.987 27 G CA 0.094 45.162 45.100 -0.052 0.000 0.635 27 G HN 0.485 nan 8.290 nan 0.000 0.520 28 L N 1.967 123.174 121.223 -0.026 0.000 2.534 28 L HA 0.513 4.853 4.340 -0.001 0.000 0.271 28 L C 0.635 177.545 176.870 0.066 0.000 1.178 28 L CA 0.156 55.014 54.840 0.028 0.000 0.907 28 L CB 0.242 42.360 42.059 0.099 0.000 1.164 28 L HN 0.196 nan 8.230 nan 0.000 0.482 29 K N 4.170 124.618 120.400 0.080 0.000 2.205 29 K HA 0.470 4.790 4.320 -0.001 0.000 0.279 29 K C -1.104 175.586 176.600 0.149 0.000 1.027 29 K CA -0.663 55.684 56.287 0.101 0.000 0.932 29 K CB 1.479 34.034 32.500 0.092 0.000 1.032 29 K HN 0.445 nan 8.250 nan 0.000 0.466 30 V N 2.588 122.597 119.914 0.159 0.000 2.350 30 V HA 0.404 4.524 4.120 -0.001 0.000 0.285 30 V C -0.480 175.764 176.094 0.250 0.000 1.014 30 V CA -0.836 61.588 62.300 0.207 0.000 0.831 30 V CB 1.231 33.115 31.823 0.102 0.000 1.000 30 V HN 0.872 nan 8.190 nan 0.000 0.433 31 A N 3.971 126.977 122.820 0.310 0.000 2.318 31 A HA 0.935 5.254 4.320 -0.001 0.000 0.324 31 A C 0.136 177.961 177.584 0.401 0.000 1.170 31 A CA -0.422 51.813 52.037 0.330 0.000 0.810 31 A CB 1.332 20.555 19.000 0.372 0.000 1.198 31 A HN 0.870 nan 8.150 nan 0.000 0.484 32 T N -0.667 114.094 114.554 0.346 0.000 2.906 32 T HA 0.865 5.214 4.350 -0.001 0.000 0.295 32 T C -0.263 174.617 174.700 0.299 0.000 1.061 32 T CA -0.090 62.213 62.100 0.338 0.000 1.000 32 T CB 1.530 70.580 68.868 0.303 0.000 1.103 32 T HN 1.772 nan 8.240 nan 0.000 0.486 33 S N 1.618 117.475 115.700 0.263 0.000 2.615 33 S HA 0.742 5.212 4.470 -0.001 0.000 0.269 33 S C -0.611 174.075 174.600 0.145 0.000 1.161 33 S CA -0.780 57.560 58.200 0.232 0.000 0.817 33 S CB 1.376 64.733 63.200 0.261 0.000 1.131 33 S HN 1.288 nan 8.310 nan 0.000 0.467 34 N N -0.525 118.239 118.700 0.107 0.000 6.841 34 N HA -0.159 4.581 4.740 -0.001 0.000 0.420 34 N C -0.488 175.049 175.510 0.044 0.000 0.944 34 N CA 1.530 54.616 53.050 0.060 0.000 1.444 34 N CB -1.197 37.316 38.487 0.043 0.000 0.807 34 N HN 1.455 nan 8.380 nan 0.000 0.332 35 T N -2.268 112.295 114.554 0.014 0.000 2.910 35 T HA 0.752 5.102 4.350 -0.001 0.000 0.287 35 T C -2.815 171.872 174.700 -0.021 0.000 1.050 35 T CA -1.309 60.792 62.100 0.002 0.000 1.011 35 T CB 1.655 70.518 68.868 -0.007 0.000 1.195 35 T HN 0.360 nan 8.240 nan 0.000 0.540 36 P HA 0.387 nan 4.420 nan 0.000 0.263 36 P C 0.077 177.317 177.300 -0.101 0.000 1.175 36 P CA 0.405 63.479 63.100 -0.043 0.000 0.761 36 P CB 0.186 31.869 31.700 -0.029 0.000 0.794 37 G N 0.770 109.490 108.800 -0.134 0.000 3.135 37 G HA2 0.170 4.129 3.960 -0.001 0.000 0.278 37 G HA3 0.170 4.129 3.960 -0.001 0.000 0.278 37 G C 0.330 175.090 174.900 -0.234 0.000 1.302 37 G CA -0.285 44.663 45.100 -0.255 0.000 0.880 37 G HN 0.496 nan 8.290 nan 0.000 0.574 38 H N -0.773 118.238 119.070 -0.099 0.000 2.521 38 H HA 0.104 4.659 4.556 -0.001 0.000 0.286 38 H C 0.377 175.856 175.328 0.252 0.000 1.034 38 H CA 1.653 57.753 56.048 0.088 0.000 1.278 38 H CB -0.137 29.719 29.762 0.157 0.000 1.386 38 H HN 0.367 nan 8.280 nan 0.000 0.567 39 F N -2.703 117.342 119.950 0.159 0.000 2.900 39 F HA 0.553 5.079 4.527 -0.000 0.000 0.321 39 F C -1.099 174.738 175.800 0.062 0.000 1.160 39 F CA -1.324 56.731 58.000 0.093 0.000 0.890 39 F CB 0.894 39.864 39.000 -0.051 0.000 1.334 39 F HN -0.354 nan 8.300 nan 0.000 0.459 40 S N 0.088 115.995 115.700 0.345 0.000 2.689 40 S HA 0.980 5.449 4.470 -0.001 0.000 0.306 40 S C -0.897 173.887 174.600 0.307 0.000 1.104 40 S CA -0.380 57.962 58.200 0.236 0.000 0.973 40 S CB 1.726 65.053 63.200 0.212 0.000 1.121 40 S HN 1.127 nan 8.310 nan 0.000 0.523 41 A N 1.169 124.126 122.820 0.229 0.000 2.435 41 A HA 0.913 5.232 4.320 -0.001 0.000 0.304 41 A C -1.094 176.583 177.584 0.155 0.000 1.064 41 A CA -0.828 51.327 52.037 0.196 0.000 0.727 41 A CB 0.811 19.924 19.000 0.188 0.000 1.284 41 A HN 1.019 nan 8.150 nan 0.000 0.415 42 L N -0.965 120.306 121.223 0.081 0.000 2.671 42 L HA 1.054 5.394 4.340 -0.001 0.000 0.259 42 L C -0.289 176.545 176.870 -0.059 0.000 1.021 42 L CA -0.540 54.237 54.840 -0.104 0.000 0.871 42 L CB 1.861 43.812 42.059 -0.179 0.000 1.472 42 L HN 1.446 nan 8.230 nan 0.000 0.410 43 G N 0.856 109.578 108.800 -0.131 0.000 2.579 43 G HA2 0.544 4.504 3.960 -0.001 0.000 0.292 43 G HA3 0.544 4.504 3.960 -0.001 0.000 0.292 43 G C -2.102 172.710 174.900 -0.147 0.000 1.484 43 G CA -0.886 44.152 45.100 -0.103 0.000 0.813 43 G HN 0.640 nan 8.290 nan 0.000 0.515 44 L N 0.570 121.608 121.223 -0.308 0.000 2.322 44 L HA 0.560 4.900 4.340 -0.001 0.000 0.281 44 L C -1.133 175.489 176.870 -0.415 0.000 1.014 44 L CA -0.926 53.813 54.840 -0.168 0.000 0.815 44 L CB 1.690 43.668 42.059 -0.135 0.000 1.247 44 L HN 0.511 nan 8.230 nan 0.000 0.421 45 Y N 3.569 123.907 120.300 0.064 0.000 2.341 45 Y HA 0.560 5.110 4.550 -0.000 0.000 0.338 45 Y C 0.001 175.918 175.900 0.027 0.000 0.965 45 Y CA -0.613 57.520 58.100 0.055 0.000 1.108 45 Y CB 1.612 40.092 38.460 0.034 0.000 1.180 45 Y HN 0.334 nan 8.280 nan 0.000 0.458 46 I N 2.863 123.486 120.570 0.088 0.000 2.404 46 I HA 0.189 4.359 4.170 -0.001 0.000 0.293 46 I C -0.360 175.757 176.117 0.000 0.000 0.992 46 I CA -0.867 60.427 61.300 -0.009 0.000 1.149 46 I CB 1.586 39.477 38.000 -0.182 0.000 1.315 46 I HN 0.545 nan 8.210 nan 0.000 0.446 47 D N 6.266 126.646 120.400 -0.032 0.000 2.498 47 D HA 0.460 5.100 4.640 -0.001 0.000 0.229 47 D C -0.398 175.760 176.300 -0.236 0.000 1.188 47 D CA 0.374 54.340 54.000 -0.057 0.000 1.028 47 D CB 0.271 41.023 40.800 -0.079 0.000 1.087 47 D HN 0.663 nan 8.370 nan 0.000 0.510 48 A N 1.067 123.832 122.820 -0.092 0.000 2.533 48 A HA 0.955 5.275 4.320 -0.001 0.000 0.293 48 A C -0.024 177.687 177.584 0.212 0.000 1.228 48 A CA -0.130 51.800 52.037 -0.177 0.000 0.689 48 A CB 1.669 20.568 19.000 -0.169 0.000 1.303 48 A HN 0.556 nan 8.150 nan 0.000 0.444 49 G N -1.721 107.230 108.800 0.252 0.000 2.352 49 G HA2 0.520 4.480 3.960 -0.001 0.000 0.302 49 G HA3 0.520 4.480 3.960 -0.001 0.000 0.302 49 G C 0.562 175.492 174.900 0.051 0.000 1.370 49 G CA 0.707 45.878 45.100 0.118 0.000 0.918 49 G HN 1.955 nan 8.290 nan 0.000 0.610 50 S N -0.441 115.224 115.700 -0.058 0.000 2.419 50 S HA -0.184 4.286 4.470 -0.001 0.000 0.233 50 S C 2.080 176.568 174.600 -0.186 0.000 1.016 50 S CA 1.687 59.837 58.200 -0.083 0.000 0.974 50 S CB -0.333 62.791 63.200 -0.126 0.000 0.786 50 S HN 1.113 nan 8.310 nan 0.000 0.492 51 R N 0.058 120.320 120.500 -0.396 0.000 2.285 51 R HA 0.077 4.416 4.340 -0.001 0.000 0.213 51 R C 0.738 176.684 176.300 -0.590 0.000 1.068 51 R CA 1.077 56.837 56.100 -0.567 0.000 1.004 51 R CB -0.630 29.186 30.300 -0.806 0.000 0.873 51 R HN 0.501 nan 8.270 nan 0.000 0.467 52 F N 1.083 120.952 119.950 -0.136 0.000 2.695 52 F HA 0.312 4.839 4.527 -0.001 0.000 0.303 52 F C 1.481 177.286 175.800 0.007 0.000 1.091 52 F CA -0.356 57.575 58.000 -0.115 0.000 1.300 52 F CB 0.295 39.052 39.000 -0.405 0.000 1.071 52 F HN 0.004 nan 8.300 nan 0.000 0.578 53 E N 0.684 120.979 120.200 0.158 0.000 2.204 53 E HA 0.106 4.455 4.350 -0.001 0.000 0.194 53 E C 1.798 178.486 176.600 0.146 0.000 0.989 53 E CA 0.546 57.072 56.400 0.209 0.000 0.824 53 E CB -0.264 29.532 29.700 0.159 0.000 0.756 53 E HN 0.377 nan 8.360 nan 0.000 0.477 54 G N 1.090 109.941 108.800 0.085 0.000 2.601 54 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.261 54 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.261 54 G C 0.328 175.253 174.900 0.041 0.000 1.289 54 G CA 0.369 45.508 45.100 0.064 0.000 0.920 54 G HN 0.268 nan 8.290 nan 0.000 0.571 55 R N -0.155 120.365 120.500 0.033 0.000 2.265 55 R HA 0.189 4.529 4.340 -0.001 0.000 0.194 55 R C 2.340 178.638 176.300 -0.004 0.000 0.931 55 R CA 0.763 56.870 56.100 0.012 0.000 1.032 55 R CB -0.098 30.209 30.300 0.011 0.000 0.980 55 R HN 0.560 nan 8.270 nan 0.000 0.497 56 N N 0.146 118.856 118.700 0.017 0.000 2.376 56 N HA 0.018 4.757 4.740 -0.001 0.000 0.177 56 N C 0.626 176.077 175.510 -0.100 0.000 1.024 56 N CA 0.568 53.606 53.050 -0.020 0.000 0.893 56 N CB 0.364 38.897 38.487 0.076 0.000 0.980 56 N HN 0.091 nan 8.380 nan 0.000 0.439 57 L N 0.658 121.896 121.223 0.024 0.000 3.066 57 L HA 0.238 4.578 4.340 -0.001 0.000 0.265 57 L C -0.176 176.734 176.870 0.067 0.000 1.232 57 L CA -0.435 54.453 54.840 0.080 0.000 1.031 57 L CB 0.457 42.704 42.059 0.312 0.000 1.379 57 L HN -0.087 nan 8.230 nan 0.000 0.563 58 K N 1.487 121.888 120.400 0.002 0.000 2.511 58 K HA 0.185 4.504 4.320 -0.001 0.000 0.280 58 K C 1.221 177.818 176.600 -0.005 0.000 1.008 58 K CA 1.193 57.482 56.287 0.003 0.000 1.050 58 K CB 0.207 32.697 32.500 -0.017 0.000 0.889 58 K HN 0.313 nan 8.250 nan 0.000 0.484 59 G N 2.653 111.456 108.800 0.006 0.000 2.199 59 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.254 59 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.254 59 G C 1.361 176.252 174.900 -0.014 0.000 0.982 59 G CA 0.279 45.385 45.100 0.011 0.000 0.632 59 G HN 0.646 nan 8.290 nan 0.000 0.529 60 C N 0.813 120.083 119.300 -0.051 0.000 2.440 60 C HA 0.075 4.535 4.460 -0.001 0.000 0.278 60 C C 3.043 177.802 174.990 -0.385 0.000 1.295 60 C CA 2.059 60.963 59.018 -0.189 0.000 1.738 60 C CB -1.241 26.399 27.740 -0.166 0.000 1.987 60 C HN 0.668 nan 8.230 nan 0.000 0.492 61 T N -0.929 113.425 114.554 -0.333 0.000 2.746 61 T HA -0.229 4.121 4.350 -0.001 0.000 0.267 61 T C 1.734 176.370 174.700 -0.106 0.000 1.039 61 T CA 1.653 63.589 62.100 -0.275 0.000 1.142 61 T CB -0.562 68.285 68.868 -0.035 0.000 0.866 61 T HN 0.703 nan 8.240 nan 0.000 0.444 62 H N 0.675 119.665 119.070 -0.134 0.000 2.326 62 H HA -0.037 4.519 4.556 -0.001 0.000 0.301 62 H C 2.146 177.419 175.328 -0.092 0.000 1.081 62 H CA 1.139 57.126 56.048 -0.100 0.000 1.334 62 H CB -0.045 29.668 29.762 -0.082 0.000 1.385 62 H HN 0.153 nan 8.280 nan 0.000 0.504 63 I N 1.349 121.809 120.570 -0.184 0.000 2.226 63 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 63 I C 2.764 178.770 176.117 -0.184 0.000 1.100 63 I CA 0.865 62.037 61.300 -0.214 0.000 1.374 63 I CB -1.048 36.886 38.000 -0.110 0.000 1.057 63 I HN 0.334 nan 8.210 nan 0.000 0.413 64 L N 0.792 121.913 121.223 -0.171 0.000 2.083 64 L HA -0.234 4.105 4.340 -0.001 0.000 0.209 64 L C 2.160 178.982 176.870 -0.079 0.000 1.083 64 L CA 1.799 56.568 54.840 -0.119 0.000 0.752 64 L CB -0.659 41.334 42.059 -0.110 0.000 0.899 64 L HN 0.344 nan 8.230 nan 0.000 0.433 65 D N -0.622 119.702 120.400 -0.127 0.000 2.277 65 D HA -0.192 4.447 4.640 -0.001 0.000 0.208 65 D C 2.139 178.362 176.300 -0.128 0.000 0.962 65 D CA 0.697 54.610 54.000 -0.146 0.000 0.865 65 D CB 0.012 40.717 40.800 -0.159 0.000 0.939 65 D HN -0.068 nan 8.370 nan 0.000 0.510 66 R N -0.803 119.586 120.500 -0.185 0.000 2.276 66 R HA 0.244 4.583 4.340 -0.001 0.000 0.203 66 R C 1.069 177.331 176.300 -0.064 0.000 1.017 66 R CA 0.270 56.276 56.100 -0.156 0.000 1.010 66 R CB -0.186 29.941 30.300 -0.288 0.000 0.900 66 R HN 0.188 nan 8.270 nan 0.000 0.469 67 L N -0.331 120.857 121.223 -0.058 0.000 2.607 67 L HA 0.422 4.762 4.340 -0.001 0.000 0.228 67 L C 0.141 177.024 176.870 0.021 0.000 1.123 67 L CA -0.129 54.697 54.840 -0.023 0.000 0.890 67 L CB -0.615 41.413 42.059 -0.052 0.000 1.103 67 L HN 0.005 nan 8.230 nan 0.000 0.468 68 A N -1.167 121.686 122.820 0.055 0.000 2.498 68 A HA 0.249 4.569 4.320 -0.001 0.000 0.239 68 A C 0.321 178.024 177.584 0.198 0.000 1.068 68 A CA -0.057 52.027 52.037 0.079 0.000 0.766 68 A CB -0.607 18.466 19.000 0.122 0.000 1.003 68 A HN 0.348 nan 8.150 nan 0.000 0.497 69 F N -0.834 119.182 119.950 0.110 0.000 3.074 69 F HA -0.207 4.319 4.527 -0.001 0.000 0.289 69 F C 1.062 176.869 175.800 0.011 0.000 0.863 69 F CA 1.382 59.401 58.000 0.032 0.000 1.121 69 F CB -1.667 37.359 39.000 0.043 0.000 1.169 69 F HN 0.599 nan 8.300 nan 0.000 0.570 70 K N 0.172 120.641 120.400 0.115 0.000 2.762 70 K HA 0.611 4.930 4.320 -0.001 0.000 0.292 70 K C 0.836 177.456 176.600 0.034 0.000 1.008 70 K CA 0.126 56.455 56.287 0.071 0.000 1.142 70 K CB -0.032 32.490 32.500 0.038 0.000 1.490 70 K HN 0.111 nan 8.250 nan 0.000 0.581 71 S N 0.350 116.057 115.700 0.011 0.000 2.572 71 S HA 0.192 4.662 4.470 -0.001 0.000 0.279 71 S C 0.396 174.979 174.600 -0.027 0.000 1.341 71 S CA -0.402 57.794 58.200 -0.006 0.000 1.043 71 S CB 0.140 63.333 63.200 -0.012 0.000 0.887 71 S HN 0.579 nan 8.310 nan 0.000 0.516 72 T N -0.904 113.628 114.554 -0.037 0.000 2.888 72 T HA 0.502 4.851 4.350 -0.001 0.000 0.288 72 T C 0.642 175.268 174.700 -0.124 0.000 1.063 72 T CA -0.899 61.167 62.100 -0.057 0.000 1.010 72 T CB 1.084 69.934 68.868 -0.029 0.000 1.214 72 T HN 0.448 nan 8.240 nan 0.000 0.533 73 E N 0.306 120.369 120.200 -0.229 0.000 2.160 73 E HA -0.127 4.223 4.350 -0.001 0.000 0.195 73 E C 1.281 177.589 176.600 -0.487 0.000 0.991 73 E CA 1.679 57.821 56.400 -0.430 0.000 0.810 73 E CB -0.276 29.003 29.700 -0.702 0.000 0.742 73 E HN 0.830 nan 8.360 nan 0.000 0.466 74 H N -1.765 117.222 119.070 -0.138 0.000 2.755 74 H HA 0.274 4.830 4.556 -0.001 0.000 0.273 74 H C -0.425 174.857 175.328 -0.076 0.000 1.055 74 H CA -0.312 55.657 56.048 -0.133 0.000 1.191 74 H CB 1.140 30.787 29.762 -0.193 0.000 1.536 74 H HN -0.196 nan 8.280 nan 0.000 0.529 75 V N 1.667 121.588 119.914 0.012 0.000 2.567 75 V HA 0.089 4.209 4.120 -0.001 0.000 0.298 75 V C -0.269 175.823 176.094 -0.004 0.000 1.047 75 V CA -1.096 61.210 62.300 0.010 0.000 0.880 75 V CB 2.219 34.051 31.823 0.014 0.000 1.009 75 V HN 0.179 nan 8.190 nan 0.000 0.429 76 E N 2.365 122.564 120.200 -0.002 0.000 2.437 76 E HA 0.098 4.447 4.350 -0.001 0.000 0.263 76 E C 1.436 178.038 176.600 0.003 0.000 1.030 76 E CA 0.811 57.210 56.400 -0.003 0.000 0.934 76 E CB 1.326 31.025 29.700 -0.001 0.000 0.943 76 E HN 0.831 nan 8.360 nan 0.000 0.444 77 G N 3.309 112.112 108.800 0.005 0.000 2.513 77 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.219 77 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.219 77 G C 1.515 176.425 174.900 0.017 0.000 1.160 77 G CA 1.192 46.301 45.100 0.015 0.000 0.767 77 G HN 0.524 nan 8.290 nan 0.000 0.571 78 R N 0.543 121.050 120.500 0.012 0.000 2.073 78 R HA 0.011 4.350 4.340 -0.001 0.000 0.234 78 R C 2.898 179.202 176.300 0.007 0.000 1.134 78 R CA 1.558 57.665 56.100 0.011 0.000 0.952 78 R CB -0.438 29.867 30.300 0.008 0.000 0.850 78 R HN 0.300 nan 8.270 nan 0.000 0.433 79 A N 0.674 123.496 122.820 0.004 0.000 1.972 79 A HA -0.205 4.114 4.320 -0.001 0.000 0.219 79 A C 2.063 179.643 177.584 -0.007 0.000 1.169 79 A CA 1.565 53.601 52.037 -0.001 0.000 0.635 79 A CB -0.473 18.527 19.000 -0.001 0.000 0.810 79 A HN 0.478 nan 8.150 nan 0.000 0.446 80 M N 0.354 119.954 119.600 -0.001 0.000 2.067 80 M HA -0.030 4.450 4.480 -0.001 0.000 0.260 80 M C 2.165 178.443 176.300 -0.037 0.000 1.069 80 M CA 1.993 57.289 55.300 -0.007 0.000 1.117 80 M CB -0.659 31.958 32.600 0.029 0.000 1.334 80 M HN 0.339 nan 8.290 nan 0.000 0.407 81 A N -0.436 122.379 122.820 -0.009 0.000 1.877 81 A HA -0.194 4.125 4.320 -0.001 0.000 0.216 81 A C 2.068 179.644 177.584 -0.014 0.000 1.186 81 A CA 2.078 54.111 52.037 -0.007 0.000 0.620 81 A CB -0.977 18.040 19.000 0.029 0.000 0.822 81 A HN 0.694 nan 8.150 nan 0.000 0.443 82 E N -0.976 119.220 120.200 -0.008 0.000 2.106 82 E HA -0.112 4.238 4.350 -0.001 0.000 0.192 82 E C 2.031 178.622 176.600 -0.016 0.000 0.984 82 E CA 1.518 57.916 56.400 -0.004 0.000 0.806 82 E CB -0.225 29.474 29.700 -0.000 0.000 0.750 82 E HN 0.600 nan 8.360 nan 0.000 0.458 83 T N 1.261 115.797 114.554 -0.031 0.000 2.821 83 T HA -0.079 4.271 4.350 -0.001 0.000 0.267 83 T C 1.876 176.535 174.700 -0.068 0.000 1.046 83 T CA 0.682 62.758 62.100 -0.039 0.000 1.139 83 T CB -0.079 68.764 68.868 -0.042 0.000 0.871 83 T HN 0.085 nan 8.240 nan 0.000 0.454 84 L N 0.595 121.738 121.223 -0.133 0.000 2.141 84 L HA -0.049 4.291 4.340 -0.001 0.000 0.209 84 L C 2.676 179.518 176.870 -0.047 0.000 1.094 84 L CA 1.197 55.901 54.840 -0.227 0.000 0.763 84 L CB -0.478 41.235 42.059 -0.576 0.000 0.908 84 L HN 0.331 nan 8.230 nan 0.000 0.437 85 E N 0.286 120.486 120.200 0.000 0.000 2.047 85 E HA -0.196 4.154 4.350 -0.001 0.000 0.191 85 E C 2.272 178.892 176.600 0.034 0.000 0.987 85 E CA 0.991 57.415 56.400 0.040 0.000 0.799 85 E CB -0.164 29.555 29.700 0.031 0.000 0.752 85 E HN 0.448 nan 8.360 nan 0.000 0.449 86 L N 0.881 122.116 121.223 0.019 0.000 2.349 86 L HA -0.151 4.189 4.340 -0.001 0.000 0.220 86 L C 2.031 178.932 176.870 0.053 0.000 1.130 86 L CA 0.589 55.446 54.840 0.029 0.000 0.791 86 L CB -0.209 41.859 42.059 0.016 0.000 0.918 86 L HN 0.164 nan 8.230 nan 0.000 0.444 87 L N -0.767 120.483 121.223 0.046 0.000 2.591 87 L HA 0.159 4.499 4.340 -0.001 0.000 0.228 87 L C 1.463 178.397 176.870 0.107 0.000 1.133 87 L CA 0.576 55.463 54.840 0.079 0.000 0.880 87 L CB -0.120 41.953 42.059 0.024 0.000 1.033 87 L HN 0.455 nan 8.230 nan 0.000 0.450 88 G N -0.878 107.981 108.800 0.098 0.000 2.201 88 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.212 88 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.212 88 G C 0.949 175.875 174.900 0.043 0.000 0.994 88 G CA -0.147 45.001 45.100 0.079 0.000 0.644 88 G HN 0.487 nan 8.290 nan 0.000 0.508 89 G N -0.212 108.644 108.800 0.094 0.000 2.212 89 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.267 89 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.267 89 G C 0.246 175.173 174.900 0.045 0.000 1.002 89 G CA 1.167 46.368 45.100 0.168 0.000 0.729 89 G HN 1.562 nan 8.290 nan 0.000 0.517 90 N N 0.303 119.017 118.700 0.023 0.000 3.229 90 N HA 0.506 5.246 4.740 -0.001 0.000 0.275 90 N C -0.340 175.150 175.510 -0.032 0.000 1.225 90 N CA -0.601 52.395 53.050 -0.090 0.000 1.119 90 N CB -0.239 38.169 38.487 -0.132 0.000 1.392 90 N HN 0.628 nan 8.380 nan 0.000 0.520 91 Y N -0.685 119.518 120.300 -0.161 0.000 2.581 91 Y HA 0.648 5.198 4.550 -0.001 0.000 0.345 91 Y C -0.990 174.822 175.900 -0.146 0.000 1.036 91 Y CA -1.216 56.777 58.100 -0.178 0.000 1.042 91 Y CB 0.963 39.209 38.460 -0.358 0.000 1.289 91 Y HN 0.273 nan 8.280 nan 0.000 0.471 92 Q N 1.281 121.094 119.800 0.022 0.000 2.633 92 Q HA 0.636 4.976 4.340 -0.001 0.000 0.289 92 Q C -2.135 173.962 176.000 0.162 0.000 0.940 92 Q CA -0.930 54.880 55.803 0.010 0.000 0.785 92 Q CB 2.075 30.752 28.738 -0.102 0.000 1.467 92 Q HN 1.055 nan 8.270 nan 0.000 0.401 93 C N 1.827 121.173 119.300 0.076 0.000 2.396 93 C HA 0.960 5.420 4.460 -0.001 0.000 0.321 93 C C -0.701 174.192 174.990 -0.162 0.000 1.233 93 C CA 0.680 59.603 59.018 -0.159 0.000 1.440 93 C CB 0.888 28.451 27.740 -0.296 0.000 2.110 93 C HN 0.897 nan 8.230 nan 0.000 0.473 94 T N 2.233 116.672 114.554 -0.193 0.000 2.864 94 T HA 0.897 5.247 4.350 -0.001 0.000 0.299 94 T C -0.644 173.989 174.700 -0.112 0.000 1.166 94 T CA -0.356 61.678 62.100 -0.110 0.000 1.007 94 T CB 1.568 70.402 68.868 -0.058 0.000 1.219 94 T HN 1.306 nan 8.240 nan 0.000 0.506 95 S N -0.096 115.570 115.700 -0.056 0.000 2.579 95 S HA 0.884 5.353 4.470 -0.001 0.000 0.272 95 S C -0.381 174.206 174.600 -0.021 0.000 1.141 95 S CA -0.519 57.661 58.200 -0.034 0.000 0.843 95 S CB 1.781 64.965 63.200 -0.027 0.000 1.122 95 S HN 1.155 nan 8.310 nan 0.000 0.468 96 S N -0.424 115.266 115.700 -0.016 0.000 3.642 96 S HA 0.497 4.966 4.470 -0.001 0.000 0.312 96 S C 0.640 175.194 174.600 -0.077 0.000 1.117 96 S CA -0.725 57.450 58.200 -0.041 0.000 1.104 96 S CB 0.568 63.768 63.200 -0.001 0.000 1.397 96 S HN 0.734 nan 8.310 nan 0.000 0.756 97 R N 0.511 120.939 120.500 -0.120 0.000 2.093 97 R HA 0.218 4.557 4.340 -0.001 0.000 0.224 97 R C 1.083 177.249 176.300 -0.222 0.000 1.101 97 R CA 1.083 57.043 56.100 -0.234 0.000 0.979 97 R CB -0.108 29.958 30.300 -0.390 0.000 0.877 97 R HN 0.574 nan 8.270 nan 0.000 0.441 98 E N 0.346 120.494 120.200 -0.086 0.000 2.562 98 E HA 0.068 4.418 4.350 -0.001 0.000 0.214 98 E C -0.456 176.211 176.600 0.113 0.000 0.979 98 E CA -0.188 56.214 56.400 0.003 0.000 1.002 98 E CB 0.535 30.280 29.700 0.075 0.000 1.048 98 E HN 0.332 nan 8.360 nan 0.000 0.488 99 N N 0.674 119.423 118.700 0.083 0.000 2.416 99 N HA 0.350 5.089 4.740 -0.001 0.000 0.276 99 N C -1.512 174.031 175.510 0.054 0.000 1.261 99 N CA -0.759 52.348 53.050 0.094 0.000 0.790 99 N CB 2.317 40.870 38.487 0.110 0.000 1.554 99 N HN -0.088 nan 8.380 nan 0.000 0.481 100 L N 0.791 122.038 121.223 0.040 0.000 2.491 100 L HA 0.581 4.920 4.340 -0.001 0.000 0.267 100 L C -1.315 175.509 176.870 -0.076 0.000 0.971 100 L CA -0.355 54.468 54.840 -0.029 0.000 0.857 100 L CB 1.309 43.373 42.059 0.009 0.000 1.226 100 L HN 0.795 nan 8.230 nan 0.000 0.408 101 M N 3.105 122.586 119.600 -0.198 0.000 2.501 101 M HA 0.569 5.049 4.480 -0.001 0.000 0.293 101 M C -1.876 174.190 176.300 -0.390 0.000 1.192 101 M CA -0.692 54.437 55.300 -0.285 0.000 0.886 101 M CB 2.367 34.801 32.600 -0.276 0.000 1.710 101 M HN 0.427 nan 8.290 nan 0.000 0.457 102 Y N 1.179 121.295 120.300 -0.306 0.000 2.334 102 Y HA 0.566 5.116 4.550 -0.001 0.000 0.336 102 Y C -0.411 175.404 175.900 -0.142 0.000 0.960 102 Y CA -0.391 57.647 58.100 -0.103 0.000 1.164 102 Y CB 1.653 40.051 38.460 -0.103 0.000 1.155 102 Y HN 0.658 nan 8.280 nan 0.000 0.478 103 Q N 2.002 121.865 119.800 0.104 0.000 2.484 103 Q HA 0.976 5.315 4.340 -0.001 0.000 0.285 103 Q C -1.351 174.723 176.000 0.123 0.000 1.097 103 Q CA -1.554 54.290 55.803 0.070 0.000 0.802 103 Q CB 3.258 32.029 28.738 0.055 0.000 1.444 103 Q HN 0.708 nan 8.270 nan 0.000 0.429 104 A N 0.707 123.587 122.820 0.100 0.000 2.597 104 A HA 0.684 5.004 4.320 -0.001 0.000 0.292 104 A C -1.465 176.164 177.584 0.074 0.000 1.057 104 A CA -0.619 51.470 52.037 0.086 0.000 0.674 104 A CB 1.538 20.602 19.000 0.108 0.000 1.278 104 A HN 0.701 nan 8.150 nan 0.000 0.416 105 S N -0.022 115.695 115.700 0.028 0.000 2.500 105 S HA 0.869 5.339 4.470 -0.001 0.000 0.301 105 S C -0.260 174.287 174.600 -0.089 0.000 1.092 105 S CA 0.001 58.223 58.200 0.036 0.000 1.030 105 S CB 1.004 64.213 63.200 0.015 0.000 1.031 105 S HN 2.263 nan 8.310 nan 0.000 0.483 106 V N -0.558 119.333 119.914 -0.037 0.000 3.181 106 V HA 0.763 4.882 4.120 -0.001 0.000 0.308 106 V C -0.892 175.147 176.094 -0.093 0.000 1.214 106 V CA -1.456 60.776 62.300 -0.114 0.000 1.053 106 V CB 0.676 32.528 31.823 0.048 0.000 1.069 106 V HN 0.771 nan 8.190 nan 0.000 0.441 107 F N 1.975 121.994 119.950 0.115 0.000 2.506 107 F HA 0.360 4.886 4.527 -0.001 0.000 0.351 107 F C 1.953 177.849 175.800 0.160 0.000 1.136 107 F CA 0.131 58.227 58.000 0.160 0.000 1.298 107 F CB 0.185 39.247 39.000 0.103 0.000 1.145 107 F HN 0.590 nan 8.300 nan 0.000 0.593 108 N N 1.377 120.293 118.700 0.359 0.000 2.096 108 N HA -0.242 4.498 4.740 -0.001 0.000 0.195 108 N C 1.848 177.472 175.510 0.190 0.000 1.017 108 N CA 1.678 54.869 53.050 0.234 0.000 0.870 108 N CB -0.376 38.224 38.487 0.188 0.000 1.024 108 N HN 0.675 nan 8.380 nan 0.000 0.434 109 Q N 0.292 120.205 119.800 0.188 0.000 2.436 109 Q HA -0.051 4.289 4.340 -0.001 0.000 0.209 109 Q C -0.229 175.854 176.000 0.138 0.000 0.965 109 Q CA 1.058 56.942 55.803 0.135 0.000 0.910 109 Q CB 0.058 28.858 28.738 0.103 0.000 0.980 109 Q HN 0.270 nan 8.270 nan 0.000 0.491 110 D N 0.729 121.233 120.400 0.173 0.000 2.363 110 D HA 0.099 4.738 4.640 -0.001 0.000 0.214 110 D C 1.630 178.016 176.300 0.143 0.000 1.093 110 D CA -0.036 54.053 54.000 0.148 0.000 0.837 110 D CB 0.639 41.538 40.800 0.164 0.000 0.948 110 D HN 0.026 nan 8.370 nan 0.000 0.507 111 V N 1.136 121.149 119.914 0.165 0.000 2.282 111 V HA -0.226 3.894 4.120 -0.001 0.000 0.249 111 V C 2.648 178.859 176.094 0.195 0.000 1.057 111 V CA 2.306 64.725 62.300 0.198 0.000 1.032 111 V CB -0.925 31.034 31.823 0.227 0.000 0.645 111 V HN 0.288 nan 8.190 nan 0.000 0.447 112 G N -0.385 108.523 108.800 0.180 0.000 2.446 112 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.217 112 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.217 112 G C 1.609 176.579 174.900 0.117 0.000 1.168 112 G CA 1.297 46.528 45.100 0.219 0.000 0.771 112 G HN 0.458 nan 8.290 nan 0.000 0.551 113 K N -0.175 120.270 120.400 0.074 0.000 2.057 113 K HA 0.023 4.343 4.320 -0.001 0.000 0.207 113 K C 2.366 178.939 176.600 -0.046 0.000 1.049 113 K CA 1.362 57.648 56.287 -0.001 0.000 0.931 113 K CB -0.396 32.119 32.500 0.025 0.000 0.714 113 K HN 0.272 nan 8.250 nan 0.000 0.440 114 M N -0.001 119.604 119.600 0.009 0.000 2.132 114 M HA -0.027 4.453 4.480 -0.001 0.000 0.263 114 M C 1.702 177.998 176.300 -0.007 0.000 1.065 114 M CA 1.273 56.576 55.300 0.004 0.000 1.122 114 M CB -0.480 32.148 32.600 0.046 0.000 1.365 114 M HN 0.238 nan 8.290 nan 0.000 0.411 115 L N 0.256 121.489 121.223 0.018 0.000 2.046 115 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 115 L C 2.389 179.119 176.870 -0.233 0.000 1.077 115 L CA 2.163 57.007 54.840 0.007 0.000 0.747 115 L CB -1.140 41.043 42.059 0.207 0.000 0.896 115 L HN 0.626 nan 8.230 nan 0.000 0.432 116 Q N -0.715 118.752 119.800 -0.555 0.000 2.061 116 Q HA -0.229 4.110 4.340 -0.001 0.000 0.204 116 Q C 2.252 178.051 176.000 -0.335 0.000 0.984 116 Q CA 2.328 57.606 55.803 -0.876 0.000 0.846 116 Q CB -0.253 27.939 28.738 -0.910 0.000 0.902 116 Q HN 0.616 nan 8.270 nan 0.000 0.421 117 L N -0.134 120.982 121.223 -0.178 0.000 2.046 117 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 117 L C 2.696 179.546 176.870 -0.033 0.000 1.077 117 L CA 1.138 55.948 54.840 -0.049 0.000 0.747 117 L CB -0.399 41.667 42.059 0.011 0.000 0.896 117 L HN 0.395 nan 8.230 nan 0.000 0.432 118 M N -0.327 119.260 119.600 -0.023 0.000 2.117 118 M HA -0.181 4.299 4.480 -0.001 0.000 0.262 118 M C 2.479 178.594 176.300 -0.309 0.000 1.065 118 M CA 2.182 57.400 55.300 -0.137 0.000 1.114 118 M CB -0.351 32.212 32.600 -0.060 0.000 1.361 118 M HN 0.343 nan 8.290 nan 0.000 0.408 119 S N -0.610 114.953 115.700 -0.228 0.000 2.453 119 S HA -0.028 4.442 4.470 -0.001 0.000 0.231 119 S C 1.641 176.105 174.600 -0.226 0.000 1.005 119 S CA 0.522 58.564 58.200 -0.264 0.000 0.949 119 S CB -0.296 62.824 63.200 -0.133 0.000 0.774 119 S HN 0.375 nan 8.310 nan 0.000 0.510 120 E N 1.437 121.574 120.200 -0.105 0.000 2.072 120 E HA -0.080 4.269 4.350 -0.001 0.000 0.191 120 E C 2.113 178.651 176.600 -0.102 0.000 0.985 120 E CA 1.345 57.773 56.400 0.047 0.000 0.801 120 E CB -0.647 29.078 29.700 0.042 0.000 0.750 120 E HN 0.555 nan 8.360 nan 0.000 0.452 121 T N -0.109 114.290 114.554 -0.258 0.000 3.067 121 T HA 0.012 4.361 4.350 -0.001 0.000 0.261 121 T C 1.718 176.172 174.700 -0.411 0.000 1.110 121 T CA 0.368 62.268 62.100 -0.333 0.000 1.113 121 T CB 0.181 68.739 68.868 -0.517 0.000 0.917 121 T HN -0.100 nan 8.240 nan 0.000 0.499 122 V N 0.545 120.150 119.914 -0.514 0.000 2.878 122 V HA 0.208 4.328 4.120 -0.001 0.000 0.250 122 V C 2.470 178.268 176.094 -0.493 0.000 1.075 122 V CA 1.145 63.161 62.300 -0.473 0.000 1.096 122 V CB -0.224 31.238 31.823 -0.601 0.000 0.724 122 V HN 0.323 nan 8.190 nan 0.000 0.467 123 R N -1.569 118.517 120.500 -0.691 0.000 2.221 123 R HA 0.229 4.569 4.340 -0.001 0.000 0.195 123 R C 0.491 176.146 176.300 -1.074 0.000 0.956 123 R CA 0.453 55.905 56.100 -1.081 0.000 1.064 123 R CB 0.394 29.703 30.300 -1.653 0.000 1.049 123 R HN 0.455 nan 8.270 nan 0.000 0.534 124 F N 1.457 121.254 119.950 -0.256 0.000 2.841 124 F HA 0.312 4.839 4.527 -0.001 0.000 0.358 124 F C -2.229 173.440 175.800 -0.218 0.000 1.261 124 F CA -2.482 55.380 58.000 -0.231 0.000 1.233 124 F CB 0.656 39.486 39.000 -0.282 0.000 1.008 124 F HN -0.221 nan 8.300 nan 0.000 0.507 125 P HA 0.036 nan 4.420 nan 0.000 0.268 125 P C 0.339 177.596 177.300 -0.072 0.000 1.205 125 P CA 0.145 63.185 63.100 -0.099 0.000 0.771 125 P CB 1.591 33.200 31.700 -0.152 0.000 0.858 126 K N 2.198 122.563 120.400 -0.058 0.000 2.137 126 K HA 0.120 4.439 4.320 -0.001 0.000 0.202 126 K C 0.743 177.316 176.600 -0.046 0.000 1.052 126 K CA 0.162 56.420 56.287 -0.048 0.000 0.961 126 K CB -0.297 32.177 32.500 -0.042 0.000 0.741 126 K HN 0.462 nan 8.250 nan 0.000 0.452 127 I N 3.234 123.776 120.570 -0.047 0.000 7.277 127 I HA -0.260 3.909 4.170 -0.001 0.000 0.126 127 I C 0.324 176.424 176.117 -0.028 0.000 1.720 127 I CA 0.226 61.501 61.300 -0.042 0.000 2.268 127 I CB -1.876 36.091 38.000 -0.055 0.000 3.404 127 I HN 0.346 nan 8.210 nan 0.000 0.234 128 T N -0.980 113.562 114.554 -0.021 0.000 2.788 128 T HA 0.242 4.591 4.350 -0.001 0.000 0.287 128 T C 1.227 175.921 174.700 -0.009 0.000 1.007 128 T CA -0.202 61.889 62.100 -0.014 0.000 1.005 128 T CB 1.666 70.527 68.868 -0.011 0.000 1.012 128 T HN 0.481 nan 8.240 nan 0.000 0.530 129 E N 0.049 120.246 120.200 -0.005 0.000 2.070 129 E HA -0.256 4.094 4.350 -0.001 0.000 0.197 129 E C 2.232 178.831 176.600 -0.002 0.000 1.004 129 E CA 1.496 57.895 56.400 -0.001 0.000 0.805 129 E CB -0.122 29.578 29.700 0.000 0.000 0.744 129 E HN 0.792 nan 8.360 nan 0.000 0.451 130 Q N 0.743 120.542 119.800 -0.002 0.000 2.050 130 Q HA -0.231 4.109 4.340 -0.001 0.000 0.202 130 Q C 1.946 177.945 176.000 -0.002 0.000 0.980 130 Q CA 1.585 57.388 55.803 -0.001 0.000 0.840 130 Q CB 0.076 28.814 28.738 0.001 0.000 0.898 130 Q HN 0.292 nan 8.270 nan 0.000 0.424 131 E N 0.169 120.367 120.200 -0.004 0.000 2.058 131 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 131 E C 2.028 178.621 176.600 -0.012 0.000 0.997 131 E CA 1.246 57.642 56.400 -0.006 0.000 0.801 131 E CB -0.187 29.509 29.700 -0.008 0.000 0.746 131 E HN 0.252 nan 8.360 nan 0.000 0.450 132 L N 1.219 122.434 121.223 -0.013 0.000 2.046 132 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 132 L C 2.321 179.182 176.870 -0.014 0.000 1.077 132 L CA 1.776 56.606 54.840 -0.016 0.000 0.747 132 L CB -0.482 41.572 42.059 -0.008 0.000 0.896 132 L HN 0.013 nan 8.230 nan 0.000 0.432 133 Q N 0.129 119.924 119.800 -0.009 0.000 2.084 133 Q HA -0.213 4.127 4.340 -0.001 0.000 0.202 133 Q C 2.125 178.116 176.000 -0.015 0.000 0.978 133 Q CA 2.013 57.809 55.803 -0.010 0.000 0.844 133 Q CB -0.171 28.564 28.738 -0.005 0.000 0.898 133 Q HN 0.657 nan 8.270 nan 0.000 0.426 134 E N -0.709 119.485 120.200 -0.010 0.000 2.031 134 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 134 E C 1.992 178.582 176.600 -0.016 0.000 0.994 134 E CA 1.169 57.565 56.400 -0.006 0.000 0.800 134 E CB 0.011 29.713 29.700 0.003 0.000 0.752 134 E HN 0.326 nan 8.360 nan 0.000 0.447 135 Q N 0.715 120.501 119.800 -0.024 0.000 2.170 135 Q HA -0.119 4.221 4.340 -0.001 0.000 0.203 135 Q C 1.858 177.832 176.000 -0.044 0.000 0.976 135 Q CA 1.200 56.978 55.803 -0.042 0.000 0.858 135 Q CB -0.112 28.588 28.738 -0.064 0.000 0.907 135 Q HN 0.207 nan 8.270 nan 0.000 0.433 136 K N 0.124 120.500 120.400 -0.039 0.000 2.031 136 K HA -0.101 4.219 4.320 -0.001 0.000 0.205 136 K C 2.020 178.578 176.600 -0.070 0.000 1.049 136 K CA 0.671 56.935 56.287 -0.039 0.000 0.939 136 K CB -0.236 32.248 32.500 -0.027 0.000 0.717 136 K HN 0.044 nan 8.250 nan 0.000 0.438 137 L N 1.017 122.190 121.223 -0.083 0.000 2.042 137 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 137 L C 2.242 178.984 176.870 -0.213 0.000 1.076 137 L CA 1.896 56.644 54.840 -0.155 0.000 0.749 137 L CB -0.929 41.072 42.059 -0.097 0.000 0.893 137 L HN 0.081 nan 8.230 nan 0.000 0.432 138 S N -0.919 114.734 115.700 -0.079 0.000 2.402 138 S HA -0.079 4.391 4.470 -0.001 0.000 0.229 138 S C 2.124 176.733 174.600 0.015 0.000 1.021 138 S CA 0.989 59.188 58.200 -0.001 0.000 0.974 138 S CB -0.418 62.801 63.200 0.033 0.000 0.800 138 S HN 0.662 nan 8.310 nan 0.000 0.484 139 A N 1.187 124.008 122.820 0.002 0.000 1.969 139 A HA -0.051 4.268 4.320 -0.001 0.000 0.218 139 A C 1.967 179.574 177.584 0.038 0.000 1.169 139 A CA 1.451 53.533 52.037 0.075 0.000 0.635 139 A CB -0.611 18.447 19.000 0.096 0.000 0.810 139 A HN 0.710 nan 8.150 nan 0.000 0.445 140 E N -1.072 119.085 120.200 -0.072 0.000 2.085 140 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 140 E C 1.780 178.388 176.600 0.013 0.000 0.994 140 E CA 1.539 57.885 56.400 -0.089 0.000 0.801 140 E CB -0.348 29.206 29.700 -0.243 0.000 0.743 140 E HN 0.770 nan 8.360 nan 0.000 0.453 141 Y N 1.108 121.440 120.300 0.052 0.000 2.242 141 Y HA -0.122 4.428 4.550 -0.001 0.000 0.291 141 Y C 2.265 178.196 175.900 0.051 0.000 1.137 141 Y CA 0.783 58.912 58.100 0.047 0.000 1.181 141 Y CB -0.542 37.938 38.460 0.035 0.000 0.989 141 Y HN 0.113 nan 8.280 nan 0.000 0.527 142 E N 0.037 120.355 120.200 0.196 0.000 2.077 142 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 142 E C 1.923 178.574 176.600 0.085 0.000 0.989 142 E CA 1.266 57.739 56.400 0.122 0.000 0.800 142 E CB -0.177 29.594 29.700 0.118 0.000 0.746 142 E HN 0.290 nan 8.360 nan 0.000 0.452 143 I N 2.006 122.636 120.570 0.100 0.000 2.226 143 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 143 I C 1.810 178.076 176.117 0.248 0.000 1.100 143 I CA 1.268 62.642 61.300 0.125 0.000 1.374 143 I CB -0.365 37.737 38.000 0.170 0.000 1.057 143 I HN 0.076 nan 8.210 nan 0.000 0.413 144 D N 0.334 120.873 120.400 0.232 0.000 2.149 144 D HA -0.189 4.451 4.640 -0.001 0.000 0.198 144 D C 2.142 178.564 176.300 0.203 0.000 0.990 144 D CA 1.160 55.303 54.000 0.240 0.000 0.839 144 D CB -0.142 40.784 40.800 0.210 0.000 0.948 144 D HN 0.465 nan 8.370 nan 0.000 0.460 145 E N 0.097 120.380 120.200 0.138 0.000 2.046 145 E HA -0.082 4.268 4.350 -0.001 0.000 0.190 145 E C 2.329 178.959 176.600 0.050 0.000 0.982 145 E CA 0.356 56.804 56.400 0.081 0.000 0.800 145 E CB 0.127 29.854 29.700 0.045 0.000 0.756 145 E HN 0.012 nan 8.360 nan 0.000 0.449 146 V N 0.391 120.303 119.914 -0.004 0.000 2.324 146 V HA -0.254 3.866 4.120 -0.001 0.000 0.250 146 V C 1.501 177.508 176.094 -0.145 0.000 1.060 146 V CA 1.745 63.965 62.300 -0.132 0.000 1.042 146 V CB -0.538 31.124 31.823 -0.268 0.000 0.650 146 V HN 0.449 nan 8.190 nan 0.000 0.450 147 W N -0.906 120.388 121.300 -0.010 0.000 2.848 147 W HA 0.036 4.695 4.660 -0.000 0.000 0.241 147 W C 2.012 178.545 176.519 0.023 0.000 1.289 147 W CA 0.445 57.789 57.345 -0.001 0.000 1.396 147 W CB -0.309 29.153 29.460 0.004 0.000 1.138 147 W HN 0.261 nan 8.180 nan 0.000 0.677 148 M N -0.731 118.985 119.600 0.193 0.000 2.333 148 M HA 0.110 4.590 4.480 -0.001 0.000 0.257 148 M C 0.076 176.441 176.300 0.107 0.000 1.078 148 M CA 0.504 55.912 55.300 0.180 0.000 1.005 148 M CB 0.368 33.059 32.600 0.151 0.000 1.444 148 M HN -0.338 nan 8.290 nan 0.000 0.496 149 K N 1.059 121.477 120.400 0.031 0.000 2.347 149 K HA 0.272 4.592 4.320 -0.001 0.000 0.262 149 K C -2.163 174.402 176.600 -0.058 0.000 1.052 149 K CA -1.616 54.657 56.287 -0.022 0.000 0.946 149 K CB 1.295 33.758 32.500 -0.061 0.000 1.220 149 K HN -0.217 nan 8.250 nan 0.000 0.450 150 P HA -0.220 nan 4.420 nan 0.000 0.216 150 P C 0.298 177.492 177.300 -0.177 0.000 1.150 150 P CA 1.293 64.294 63.100 -0.165 0.000 0.843 150 P CB 0.303 31.796 31.700 -0.345 0.000 0.787 151 E N -0.804 119.318 120.200 -0.130 0.000 2.209 151 E HA -0.136 4.214 4.350 -0.001 0.000 0.196 151 E C 1.801 178.332 176.600 -0.114 0.000 0.993 151 E CA 0.974 57.313 56.400 -0.101 0.000 0.819 151 E CB -0.929 28.733 29.700 -0.064 0.000 0.745 151 E HN 0.301 nan 8.360 nan 0.000 0.477 152 L N -0.551 120.586 121.223 -0.142 0.000 2.269 152 L HA 0.038 4.378 4.340 -0.001 0.000 0.200 152 L C 2.167 178.891 176.870 -0.244 0.000 1.069 152 L CA 0.176 54.903 54.840 -0.189 0.000 0.804 152 L CB -0.236 41.696 42.059 -0.213 0.000 0.987 152 L HN 0.017 nan 8.230 nan 0.000 0.468 153 V N 0.345 120.111 119.914 -0.245 0.000 2.295 153 V HA -0.263 3.857 4.120 -0.001 0.000 0.246 153 V C 2.544 178.541 176.094 -0.162 0.000 1.049 153 V CA 1.335 63.476 62.300 -0.264 0.000 1.024 153 V CB -0.360 31.381 31.823 -0.136 0.000 0.648 153 V HN 0.275 nan 8.190 nan 0.000 0.447 154 L N -0.152 120.995 121.223 -0.128 0.000 1.989 154 L HA -0.115 4.225 4.340 -0.001 0.000 0.211 154 L C 0.319 177.125 176.870 -0.105 0.000 1.071 154 L CA 2.620 57.402 54.840 -0.096 0.000 0.749 154 L CB -2.708 39.291 42.059 -0.099 0.000 0.890 154 L HN 0.342 nan 8.230 nan 0.000 0.431 155 P HA -0.181 nan 4.420 nan 0.000 0.218 155 P C 1.474 178.738 177.300 -0.061 0.000 1.148 155 P CA 1.157 64.190 63.100 -0.111 0.000 0.822 155 P CB 0.161 31.793 31.700 -0.113 0.000 0.784 156 E N 0.093 120.202 120.200 -0.151 0.000 2.051 156 E HA -0.159 4.190 4.350 -0.001 0.000 0.192 156 E C 1.857 178.422 176.600 -0.058 0.000 0.991 156 E CA 1.257 57.555 56.400 -0.170 0.000 0.799 156 E CB -1.225 28.305 29.700 -0.284 0.000 0.748 156 E HN 0.113 nan 8.360 nan 0.000 0.449 157 L N 0.102 121.297 121.223 -0.046 0.000 2.131 157 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 157 L C 2.521 179.380 176.870 -0.019 0.000 1.092 157 L CA 0.741 55.577 54.840 -0.007 0.000 0.759 157 L CB -0.528 41.531 42.059 0.000 0.000 0.903 157 L HN 0.263 nan 8.230 nan 0.000 0.435 158 L N -0.472 120.730 121.223 -0.035 0.000 1.989 158 L HA -0.251 4.089 4.340 -0.001 0.000 0.211 158 L C 2.492 179.325 176.870 -0.061 0.000 1.071 158 L CA 1.996 56.791 54.840 -0.075 0.000 0.749 158 L CB -0.525 41.439 42.059 -0.158 0.000 0.890 158 L HN 0.185 nan 8.230 nan 0.000 0.431 159 H N -1.213 117.805 119.070 -0.086 0.000 2.326 159 H HA -0.097 4.459 4.556 -0.001 0.000 0.301 159 H C 2.155 177.511 175.328 0.047 0.000 1.081 159 H CA 1.941 57.999 56.048 0.016 0.000 1.334 159 H CB -0.751 28.978 29.762 -0.055 0.000 1.385 159 H HN 0.332 nan 8.280 nan 0.000 0.504 160 T N 0.138 114.759 114.554 0.111 0.000 2.720 160 T HA -0.199 4.151 4.350 -0.001 0.000 0.268 160 T C 2.287 176.989 174.700 0.004 0.000 1.037 160 T CA 1.378 63.509 62.100 0.052 0.000 1.144 160 T CB -0.478 68.406 68.868 0.027 0.000 0.864 160 T HN 0.506 nan 8.240 nan 0.000 0.444 161 A N 1.084 123.880 122.820 -0.041 0.000 1.930 161 A HA 0.374 4.694 4.320 -0.001 0.000 0.215 161 A C 2.605 180.057 177.584 -0.219 0.000 1.176 161 A CA 1.407 53.380 52.037 -0.106 0.000 0.632 161 A CB -0.890 18.046 19.000 -0.107 0.000 0.819 161 A HN 0.485 nan 8.150 nan 0.000 0.445 162 A N -1.632 121.024 122.820 -0.273 0.000 1.972 162 A HA -0.005 4.315 4.320 -0.001 0.000 0.219 162 A C 1.444 178.475 177.584 -0.921 0.000 1.169 162 A CA 1.336 52.989 52.037 -0.639 0.000 0.635 162 A CB -0.525 18.158 19.000 -0.528 0.000 0.810 162 A HN 0.623 nan 8.150 nan 0.000 0.446 163 Y N -1.119 119.063 120.300 -0.196 0.000 2.682 163 Y HA 0.288 4.838 4.550 -0.001 0.000 0.251 163 Y C 0.915 176.748 175.900 -0.112 0.000 1.172 163 Y CA 0.005 58.018 58.100 -0.145 0.000 1.186 163 Y CB 0.010 38.423 38.460 -0.078 0.000 1.216 163 Y HN 0.167 nan 8.280 nan 0.000 0.540 164 S N 0.631 116.313 115.700 -0.031 0.000 3.559 164 S HA -0.211 4.259 4.470 -0.001 0.000 0.369 164 S C 1.579 176.185 174.600 0.009 0.000 0.987 164 S CA 1.005 59.191 58.200 -0.024 0.000 1.187 164 S CB -1.622 61.557 63.200 -0.034 0.000 0.914 164 S HN 1.220 nan 8.310 nan 0.000 0.480 165 G N -0.516 108.299 108.800 0.025 0.000 2.166 165 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.260 165 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.260 165 G C -0.246 174.656 174.900 0.003 0.000 0.986 165 G CA 0.667 45.775 45.100 0.013 0.000 0.683 165 G HN 0.621 nan 8.290 nan 0.000 0.527 166 E N 0.117 120.326 120.200 0.016 0.000 2.202 166 E HA 0.552 4.902 4.350 -0.001 0.000 0.272 166 E C 1.429 177.974 176.600 -0.092 0.000 0.951 166 E CA 0.366 56.755 56.400 -0.018 0.000 0.813 166 E CB 1.475 31.181 29.700 0.010 0.000 1.151 166 E HN 0.861 nan 8.360 nan 0.000 0.398 167 T N -0.091 114.375 114.554 -0.147 0.000 13.579 167 T HA -0.395 3.955 4.350 -0.001 0.000 0.417 167 T C 1.634 176.095 174.700 -0.399 0.000 1.443 167 T CA 1.787 63.719 62.100 -0.280 0.000 2.337 167 T CB -1.230 67.462 68.868 -0.292 0.000 2.774 167 T HN 0.472 nan 8.240 nan 0.000 0.496 168 L N 2.021 122.879 121.223 -0.610 0.000 2.263 168 L HA 0.096 4.436 4.340 -0.001 0.000 0.216 168 L C 2.914 179.549 176.870 -0.392 0.000 1.111 168 L CA 1.639 56.037 54.840 -0.735 0.000 0.773 168 L CB -0.829 40.480 42.059 -1.250 0.000 0.906 168 L HN 0.876 nan 8.230 nan 0.000 0.439 169 G N -1.795 106.882 108.800 -0.206 0.000 3.126 169 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.224 169 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.224 169 G C 0.574 175.453 174.900 -0.034 0.000 1.142 169 G CA -0.086 45.042 45.100 0.047 0.000 0.759 169 G HN 0.182 nan 8.290 nan 0.000 0.550 170 S N 1.658 117.292 115.700 -0.109 0.000 2.533 170 S HA 0.335 4.805 4.470 -0.001 0.000 0.282 170 S C -2.299 172.240 174.600 -0.103 0.000 1.304 170 S CA -1.125 57.020 58.200 -0.090 0.000 1.063 170 S CB 0.665 63.798 63.200 -0.111 0.000 0.881 170 S HN -0.022 nan 8.310 nan 0.000 0.493 171 P HA -0.095 nan 4.420 nan 0.000 0.255 171 P C 0.365 177.591 177.300 -0.123 0.000 1.141 171 P CA 0.177 63.231 63.100 -0.076 0.000 0.767 171 P CB 0.243 31.928 31.700 -0.024 0.000 0.726 172 L N 5.387 126.501 121.223 -0.181 0.000 2.270 172 L HA 0.188 4.528 4.340 -0.001 0.000 0.210 172 L C 0.634 177.372 176.870 -0.220 0.000 1.104 172 L CA 1.131 55.843 54.840 -0.214 0.000 0.804 172 L CB -0.122 41.770 42.059 -0.280 0.000 0.937 172 L HN 0.233 nan 8.230 nan 0.000 0.450 173 I N 0.251 120.692 120.570 -0.215 0.000 2.312 173 I HA 0.127 4.297 4.170 -0.001 0.000 0.290 173 I C -0.123 175.943 176.117 -0.086 0.000 1.008 173 I CA -0.644 60.520 61.300 -0.226 0.000 1.226 173 I CB 0.951 38.739 38.000 -0.353 0.000 1.371 173 I HN -0.005 nan 8.210 nan 0.000 0.468 174 C N 9.090 128.344 119.300 -0.076 0.000 2.629 174 C HA 0.277 4.737 4.460 -0.001 0.000 0.410 174 C C -1.897 173.135 174.990 0.070 0.000 1.339 174 C CA -1.246 57.771 59.018 -0.002 0.000 1.810 174 C CB -0.289 27.452 27.740 0.002 0.000 2.549 174 C HN 0.513 nan 8.230 nan 0.000 0.589 175 P HA 0.060 nan 4.420 nan 0.000 0.262 175 P C 0.779 178.118 177.300 0.064 0.000 1.182 175 P CA 0.417 63.571 63.100 0.091 0.000 0.761 175 P CB 0.307 32.034 31.700 0.046 0.000 0.795 176 R N 3.082 123.623 120.500 0.069 0.000 2.113 176 R HA -0.169 4.171 4.340 -0.001 0.000 0.244 176 R C 2.243 178.550 176.300 0.012 0.000 1.142 176 R CA 2.203 58.327 56.100 0.041 0.000 0.953 176 R CB -1.058 29.254 30.300 0.020 0.000 0.860 176 R HN 0.687 nan 8.270 nan 0.000 0.438 177 G N 0.048 108.847 108.800 -0.001 0.000 2.498 177 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.219 177 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.219 177 G C 1.255 176.153 174.900 -0.004 0.000 1.119 177 G CA 0.254 45.349 45.100 -0.007 0.000 0.766 177 G HN 0.230 nan 8.290 nan 0.000 0.552 178 L N -0.135 121.088 121.223 0.000 0.000 2.567 178 L HA 0.296 4.636 4.340 -0.001 0.000 0.225 178 L C 2.420 179.289 176.870 -0.002 0.000 1.119 178 L CA -0.148 54.688 54.840 -0.006 0.000 0.871 178 L CB -0.029 42.023 42.059 -0.012 0.000 1.036 178 L HN 0.188 nan 8.230 nan 0.000 0.459 179 I N 0.939 121.512 120.570 0.006 0.000 2.202 179 I HA -0.160 4.010 4.170 -0.001 0.000 0.242 179 I C -0.340 175.782 176.117 0.008 0.000 1.091 179 I CA 1.272 62.578 61.300 0.009 0.000 1.368 179 I CB -1.033 36.972 38.000 0.009 0.000 1.058 179 I HN 0.194 nan 8.210 nan 0.000 0.410 180 P HA -0.127 nan 4.420 nan 0.000 0.221 180 P C 1.241 178.559 177.300 0.030 0.000 1.145 180 P CA 1.304 64.408 63.100 0.008 0.000 0.795 180 P CB -0.121 31.579 31.700 -0.000 0.000 0.775 181 S N -1.883 113.837 115.700 0.035 0.000 2.577 181 S HA 0.143 4.613 4.470 -0.001 0.000 0.219 181 S C 0.628 175.297 174.600 0.114 0.000 0.962 181 S CA -0.343 57.898 58.200 0.069 0.000 0.921 181 S CB -1.009 62.221 63.200 0.050 0.000 0.789 181 S HN 0.012 nan 8.310 nan 0.000 0.497 182 I N 3.955 124.575 120.570 0.084 0.000 2.347 182 I HA 0.160 4.329 4.170 -0.001 0.000 0.294 182 I C 0.591 176.810 176.117 0.169 0.000 1.090 182 I CA -0.257 61.114 61.300 0.119 0.000 1.314 182 I CB 0.487 38.517 38.000 0.051 0.000 1.423 182 I HN 0.354 nan 8.210 nan 0.000 0.503 183 S N 5.008 120.891 115.700 0.305 0.000 2.722 183 S HA 0.339 4.809 4.470 -0.001 0.000 0.292 183 S C 0.925 175.619 174.600 0.157 0.000 1.135 183 S CA -0.891 57.435 58.200 0.210 0.000 1.003 183 S CB 2.029 65.360 63.200 0.217 0.000 1.067 183 S HN 0.657 nan 8.310 nan 0.000 0.546 184 K N -0.220 120.235 120.400 0.092 0.000 2.103 184 K HA -0.201 4.119 4.320 -0.001 0.000 0.207 184 K C 1.918 178.538 176.600 0.034 0.000 1.048 184 K CA 1.548 57.863 56.287 0.047 0.000 0.930 184 K CB -0.548 31.968 32.500 0.027 0.000 0.716 184 K HN 0.739 nan 8.250 nan 0.000 0.444 185 Y N 0.169 120.426 120.300 -0.072 0.000 2.114 185 Y HA -0.335 4.215 4.550 -0.000 0.000 0.282 185 Y C 1.641 177.453 175.900 -0.146 0.000 1.165 185 Y CA 2.018 60.023 58.100 -0.159 0.000 1.148 185 Y CB -0.398 37.882 38.460 -0.300 0.000 0.972 185 Y HN 0.106 nan 8.280 nan 0.000 0.504 186 Y N -0.019 120.295 120.300 0.024 0.000 2.242 186 Y HA -0.182 4.368 4.550 -0.001 0.000 0.291 186 Y C 2.337 178.209 175.900 -0.047 0.000 1.137 186 Y CA 1.478 59.553 58.100 -0.042 0.000 1.181 186 Y CB -0.661 37.874 38.460 0.125 0.000 0.989 186 Y HN 0.151 nan 8.280 nan 0.000 0.527 187 L N -0.904 120.384 121.223 0.107 0.000 2.083 187 L HA -0.222 4.117 4.340 -0.001 0.000 0.209 187 L C 2.135 178.999 176.870 -0.010 0.000 1.083 187 L CA 1.086 55.947 54.840 0.036 0.000 0.752 187 L CB -0.642 41.406 42.059 -0.020 0.000 0.899 187 L HN 0.245 nan 8.230 nan 0.000 0.433 188 L N -0.502 120.664 121.223 -0.095 0.000 2.141 188 L HA -0.201 4.139 4.340 -0.001 0.000 0.209 188 L C 2.155 178.940 176.870 -0.142 0.000 1.094 188 L CA 1.125 55.886 54.840 -0.133 0.000 0.763 188 L CB -0.481 41.479 42.059 -0.165 0.000 0.908 188 L HN 0.278 nan 8.230 nan 0.000 0.437 189 D N -0.595 119.673 120.400 -0.221 0.000 2.117 189 D HA -0.274 4.366 4.640 -0.001 0.000 0.197 189 D C 2.083 178.378 176.300 -0.008 0.000 0.987 189 D CA 1.204 55.093 54.000 -0.185 0.000 0.829 189 D CB -0.037 40.626 40.800 -0.229 0.000 0.961 189 D HN 0.251 nan 8.370 nan 0.000 0.460 190 Y N 1.287 121.588 120.300 0.001 0.000 2.145 190 Y HA -0.099 4.451 4.550 -0.001 0.000 0.286 190 Y C 2.238 178.231 175.900 0.155 0.000 1.145 190 Y CA 1.709 59.902 58.100 0.154 0.000 1.148 190 Y CB -0.166 38.439 38.460 0.242 0.000 0.981 190 Y HN -0.122 nan 8.280 nan 0.000 0.507 191 R N -0.096 120.595 120.500 0.319 0.000 2.091 191 R HA -0.196 4.144 4.340 -0.001 0.000 0.238 191 R C 1.745 178.110 176.300 0.109 0.000 1.136 191 R CA 1.532 57.713 56.100 0.136 0.000 0.959 191 R CB -0.504 29.672 30.300 -0.206 0.000 0.856 191 R HN 0.389 nan 8.270 nan 0.000 0.437 192 N N 0.650 119.340 118.700 -0.016 0.000 2.459 192 N HA -0.089 4.651 4.740 -0.001 0.000 0.181 192 N C 1.217 176.627 175.510 -0.166 0.000 1.046 192 N CA 1.038 54.049 53.050 -0.065 0.000 0.904 192 N CB 0.114 38.549 38.487 -0.087 0.000 0.964 192 N HN 0.294 nan 8.380 nan 0.000 0.444 193 K N -0.860 119.347 120.400 -0.322 0.000 2.202 193 K HA 0.135 4.455 4.320 -0.001 0.000 0.201 193 K C 0.794 176.914 176.600 -0.801 0.000 1.051 193 K CA 0.714 56.592 56.287 -0.683 0.000 0.977 193 K CB 0.183 31.988 32.500 -1.157 0.000 0.792 193 K HN 0.046 nan 8.250 nan 0.000 0.469 194 F N -1.475 118.419 119.950 -0.094 0.000 2.653 194 F HA 0.164 4.691 4.527 -0.000 0.000 0.288 194 F C 0.295 176.113 175.800 0.030 0.000 1.121 194 F CA -0.394 57.538 58.000 -0.112 0.000 1.384 194 F CB 0.137 38.983 39.000 -0.256 0.000 1.115 194 F HN -0.156 nan 8.300 nan 0.000 0.599 195 Y N 2.309 122.713 120.300 0.175 0.000 2.667 195 Y HA 0.320 4.869 4.550 -0.000 0.000 0.340 195 Y C 0.741 176.795 175.900 0.258 0.000 1.303 195 Y CA -0.963 57.303 58.100 0.277 0.000 1.769 195 Y CB -0.747 37.878 38.460 0.274 0.000 1.804 195 Y HN -0.091 nan 8.280 nan 0.000 0.451 196 T N -1.785 112.776 114.554 0.012 0.000 2.907 196 T HA 0.335 4.685 4.350 -0.001 0.000 0.292 196 T C -2.031 172.120 174.700 -0.915 0.000 1.043 196 T CA -2.551 59.257 62.100 -0.487 0.000 1.003 196 T CB 2.687 71.331 68.868 -0.374 0.000 1.084 196 T HN 0.024 nan 8.240 nan 0.000 0.483 197 P HA -0.181 nan 4.420 nan 0.000 0.216 197 P C 1.240 178.281 177.300 -0.432 0.000 1.150 197 P CA 1.333 63.790 63.100 -1.070 0.000 0.837 197 P CB 0.105 31.273 31.700 -0.887 0.000 0.786 198 E N -0.137 119.841 120.200 -0.369 0.000 2.515 198 E HA -0.146 4.203 4.350 -0.001 0.000 0.201 198 E C 0.768 177.281 176.600 -0.144 0.000 1.071 198 E CA 0.765 57.043 56.400 -0.203 0.000 0.880 198 E CB -1.030 28.560 29.700 -0.183 0.000 0.828 198 E HN 0.217 nan 8.360 nan 0.000 0.540 199 N N 0.002 118.605 118.700 -0.161 0.000 2.235 199 N HA 0.078 4.818 4.740 -0.001 0.000 0.231 199 N C -1.252 174.234 175.510 -0.040 0.000 1.177 199 N CA -0.032 52.963 53.050 -0.092 0.000 0.874 199 N CB 0.842 39.273 38.487 -0.094 0.000 1.097 199 N HN -0.073 nan 8.380 nan 0.000 0.518 200 T N -0.835 113.708 114.554 -0.017 0.000 2.900 200 T HA 0.556 4.906 4.350 -0.001 0.000 0.295 200 T C -1.030 173.740 174.700 0.115 0.000 1.044 200 T CA -0.525 61.621 62.100 0.078 0.000 0.995 200 T CB 2.376 71.350 68.868 0.177 0.000 1.072 200 T HN -0.286 nan 8.240 nan 0.000 0.473 201 V N 1.440 121.461 119.914 0.179 0.000 2.789 201 V HA 0.816 4.936 4.120 -0.001 0.000 0.311 201 V C -0.557 175.693 176.094 0.260 0.000 1.073 201 V CA -0.929 61.488 62.300 0.194 0.000 0.921 201 V CB 1.913 33.827 31.823 0.151 0.000 1.009 201 V HN 1.113 nan 8.190 nan 0.000 0.426 202 A N 3.484 126.441 122.820 0.228 0.000 2.287 202 A HA 0.936 5.256 4.320 -0.001 0.000 0.317 202 A C -0.130 177.552 177.584 0.162 0.000 1.220 202 A CA -0.173 51.973 52.037 0.181 0.000 0.835 202 A CB 1.060 20.227 19.000 0.277 0.000 1.180 202 A HN 1.347 nan 8.150 nan 0.000 0.500 203 A N 2.048 124.861 122.820 -0.013 0.000 2.374 203 A HA 0.940 5.260 4.320 -0.001 0.000 0.317 203 A C -1.156 176.266 177.584 -0.269 0.000 1.094 203 A CA -0.408 51.653 52.037 0.040 0.000 0.765 203 A CB 0.724 19.744 19.000 0.034 0.000 1.268 203 A HN 0.764 nan 8.150 nan 0.000 0.438 204 F N 0.335 120.384 119.950 0.166 0.000 2.588 204 F HA 0.595 5.122 4.527 -0.001 0.000 0.310 204 F C -0.297 175.581 175.800 0.129 0.000 1.082 204 F CA -0.903 57.184 58.000 0.145 0.000 0.929 204 F CB 2.365 41.435 39.000 0.118 0.000 1.254 204 F HN 0.292 nan 8.300 nan 0.000 0.455 205 V N 1.279 121.362 119.914 0.281 0.000 2.487 205 V HA 0.660 4.780 4.120 -0.001 0.000 0.298 205 V C 0.390 176.570 176.094 0.143 0.000 1.028 205 V CA -0.413 61.995 62.300 0.180 0.000 0.860 205 V CB 1.104 32.999 31.823 0.120 0.000 0.991 205 V HN 1.076 nan 8.190 nan 0.000 0.427 206 G N 4.109 112.970 108.800 0.102 0.000 2.137 206 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.237 206 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.237 206 G C -0.186 174.761 174.900 0.079 0.000 1.002 206 G CA 0.199 45.333 45.100 0.056 0.000 0.702 206 G HN 0.810 nan 8.290 nan 0.000 0.515 207 V N 0.879 120.858 119.914 0.108 0.000 2.487 207 V HA 0.518 4.637 4.120 -0.001 0.000 0.298 207 V C -1.943 174.158 176.094 0.012 0.000 1.028 207 V CA -1.837 60.497 62.300 0.058 0.000 0.860 207 V CB 2.149 34.008 31.823 0.060 0.000 0.991 207 V HN 0.105 nan 8.190 nan 0.000 0.427 208 P HA 0.093 nan 4.420 nan 0.000 0.264 208 P C 0.626 177.906 177.300 -0.033 0.000 1.193 208 P CA 0.184 63.283 63.100 -0.002 0.000 0.763 208 P CB 0.441 32.136 31.700 -0.009 0.000 0.810 209 H N 2.525 121.547 119.070 -0.080 0.000 2.357 209 H HA -0.243 4.313 4.556 -0.000 0.000 0.296 209 H C 1.725 176.984 175.328 -0.114 0.000 1.108 209 H CA 2.191 58.178 56.048 -0.102 0.000 1.273 209 H CB 0.083 29.793 29.762 -0.086 0.000 1.367 209 H HN 0.404 nan 8.280 nan 0.000 0.498 210 E N 0.244 120.426 120.200 -0.030 0.000 2.058 210 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 210 E C 2.211 178.726 176.600 -0.142 0.000 0.997 210 E CA 1.480 57.836 56.400 -0.072 0.000 0.801 210 E CB -0.145 29.542 29.700 -0.022 0.000 0.746 210 E HN 0.287 nan 8.360 nan 0.000 0.450 211 K N 0.074 120.391 120.400 -0.138 0.000 2.057 211 K HA -0.029 4.290 4.320 -0.001 0.000 0.207 211 K C 1.841 178.287 176.600 -0.257 0.000 1.049 211 K CA 1.541 57.736 56.287 -0.152 0.000 0.931 211 K CB -0.644 31.787 32.500 -0.114 0.000 0.714 211 K HN 0.140 nan 8.250 nan 0.000 0.440 212 A N 0.591 123.159 122.820 -0.420 0.000 1.902 212 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 212 A C 2.243 179.563 177.584 -0.439 0.000 1.181 212 A CA 1.574 53.183 52.037 -0.714 0.000 0.623 212 A CB -0.696 17.706 19.000 -0.997 0.000 0.818 212 A HN 0.329 nan 8.150 nan 0.000 0.443 213 L N -0.895 120.103 121.223 -0.376 0.000 2.083 213 L HA -0.211 4.129 4.340 -0.001 0.000 0.209 213 L C 2.690 179.475 176.870 -0.140 0.000 1.083 213 L CA 1.817 56.518 54.840 -0.231 0.000 0.752 213 L CB -0.439 41.492 42.059 -0.214 0.000 0.899 213 L HN 0.613 nan 8.230 nan 0.000 0.433 214 E N 0.517 120.630 120.200 -0.146 0.000 2.031 214 E HA -0.241 4.109 4.350 -0.001 0.000 0.193 214 E C 2.357 178.892 176.600 -0.107 0.000 0.994 214 E CA 1.317 57.652 56.400 -0.109 0.000 0.800 214 E CB -0.046 29.595 29.700 -0.098 0.000 0.752 214 E HN 0.420 nan 8.360 nan 0.000 0.447 215 L N 0.313 121.478 121.223 -0.095 0.000 2.046 215 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 215 L C 2.725 179.632 176.870 0.061 0.000 1.077 215 L CA 1.568 56.398 54.840 -0.017 0.000 0.747 215 L CB -0.583 41.525 42.059 0.081 0.000 0.896 215 L HN 0.214 nan 8.230 nan 0.000 0.432 216 T N -0.285 114.317 114.554 0.079 0.000 2.684 216 T HA -0.159 4.191 4.350 -0.001 0.000 0.267 216 T C 1.850 176.611 174.700 0.102 0.000 1.036 216 T CA 1.447 63.648 62.100 0.168 0.000 1.148 216 T CB -0.672 68.295 68.868 0.164 0.000 0.863 216 T HN 0.571 nan 8.240 nan 0.000 0.436 217 G N 1.330 110.142 108.800 0.021 0.000 2.422 217 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.218 217 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.218 217 G C 1.482 176.359 174.900 -0.038 0.000 1.146 217 G CA 1.162 46.265 45.100 0.005 0.000 0.769 217 G HN 0.500 nan 8.290 nan 0.000 0.547 218 K N -0.779 119.529 120.400 -0.154 0.000 2.057 218 K HA -0.089 4.231 4.320 -0.001 0.000 0.207 218 K C 1.914 178.316 176.600 -0.329 0.000 1.049 218 K CA 1.237 57.322 56.287 -0.337 0.000 0.931 218 K CB -0.201 31.918 32.500 -0.634 0.000 0.714 218 K HN 0.429 nan 8.250 nan 0.000 0.440 219 Y N -1.028 119.314 120.300 0.069 0.000 2.481 219 Y HA 0.151 4.700 4.550 -0.001 0.000 0.258 219 Y C 1.146 177.098 175.900 0.087 0.000 1.103 219 Y CA -0.113 58.033 58.100 0.076 0.000 1.287 219 Y CB 0.725 39.225 38.460 0.067 0.000 1.108 219 Y HN 0.009 nan 8.280 nan 0.000 0.529 220 L N -1.729 119.639 121.223 0.242 0.000 2.993 220 L HA 0.381 4.720 4.340 -0.001 0.000 0.264 220 L C 2.148 179.189 176.870 0.284 0.000 1.154 220 L CA 0.613 55.610 54.840 0.262 0.000 0.972 220 L CB -0.847 41.392 42.059 0.300 0.000 1.373 220 L HN 0.202 nan 8.230 nan 0.000 0.564 221 G N 0.953 109.861 108.800 0.180 0.000 2.442 221 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.219 221 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.219 221 G C 1.000 175.988 174.900 0.146 0.000 1.141 221 G CA 1.134 46.315 45.100 0.135 0.000 0.763 221 G HN 0.559 nan 8.290 nan 0.000 0.554 222 D N -1.429 119.071 120.400 0.167 0.000 2.328 222 D HA -0.035 4.605 4.640 -0.001 0.000 0.226 222 D C 0.399 176.847 176.300 0.247 0.000 1.066 222 D CA -0.697 53.402 54.000 0.165 0.000 0.861 222 D CB -0.312 40.573 40.800 0.141 0.000 0.912 222 D HN 0.255 nan 8.370 nan 0.000 0.521 223 W N 2.874 124.199 121.300 0.041 0.000 2.251 223 W HA 0.224 4.884 4.660 -0.001 0.000 0.327 223 W C -0.305 176.210 176.519 -0.007 0.000 1.361 223 W CA -0.659 56.690 57.345 0.007 0.000 1.234 223 W CB 0.329 29.779 29.460 -0.017 0.000 1.212 223 W HN -0.085 nan 8.180 nan 0.000 0.557 224 Q N 3.970 123.821 119.800 0.085 0.000 2.348 224 Q HA 0.344 4.684 4.340 -0.001 0.000 0.271 224 Q C -0.320 175.515 176.000 -0.275 0.000 1.067 224 Q CA -0.992 54.749 55.803 -0.103 0.000 0.839 224 Q CB 2.146 30.894 28.738 0.018 0.000 1.354 224 Q HN 0.464 nan 8.270 nan 0.000 0.447 225 S N -0.079 115.399 115.700 -0.371 0.000 2.593 225 S HA 0.098 4.568 4.470 -0.001 0.000 0.269 225 S C 0.898 175.287 174.600 -0.352 0.000 1.334 225 S CA 0.039 57.942 58.200 -0.495 0.000 1.015 225 S CB 0.624 63.378 63.200 -0.743 0.000 0.912 225 S HN 0.732 nan 8.310 nan 0.000 0.541 226 T N 0.232 114.621 114.554 -0.275 0.000 3.086 226 T HA 0.201 4.551 4.350 -0.001 0.000 0.250 226 T C 0.256 174.921 174.700 -0.058 0.000 1.074 226 T CA 0.049 62.083 62.100 -0.111 0.000 0.988 226 T CB -0.582 68.241 68.868 -0.075 0.000 0.988 226 T HN 0.846 nan 8.240 nan 0.000 0.530 227 H N 2.171 121.183 119.070 -0.097 0.000 2.592 227 H HA -0.077 4.479 4.556 -0.001 0.000 0.323 227 H C -2.101 173.172 175.328 -0.092 0.000 1.117 227 H CA 0.644 56.638 56.048 -0.090 0.000 1.120 227 H CB -1.584 28.138 29.762 -0.067 0.000 1.561 227 H HN 0.536 nan 8.280 nan 0.000 0.409 228 P HA 0.234 nan 4.420 nan 0.000 0.276 228 P C -2.362 174.886 177.300 -0.087 0.000 1.261 228 P CA -1.297 61.743 63.100 -0.101 0.000 0.800 228 P CB 0.412 31.993 31.700 -0.199 0.000 1.066 229 P HA 0.220 nan 4.420 nan 0.000 0.271 229 P C -0.432 176.819 177.300 -0.081 0.000 1.220 229 P CA -0.069 62.994 63.100 -0.061 0.000 0.768 229 P CB -0.089 31.584 31.700 -0.046 0.000 0.848 230 I N 2.893 123.434 120.570 -0.048 0.000 2.471 230 I HA 0.047 4.217 4.170 -0.001 0.000 0.294 230 I C 0.972 177.088 176.117 -0.002 0.000 1.123 230 I CA 0.714 61.992 61.300 -0.037 0.000 1.336 230 I CB -0.612 37.380 38.000 -0.013 0.000 1.430 230 I HN 0.314 nan 8.210 nan 0.000 0.533 231 T N 2.694 117.254 114.554 0.009 0.000 3.377 231 T HA 0.397 4.746 4.350 -0.001 0.000 0.270 231 T C 0.134 174.940 174.700 0.176 0.000 1.586 231 T CA -0.866 61.281 62.100 0.078 0.000 1.487 231 T CB -0.497 68.416 68.868 0.075 0.000 0.994 231 T HN 0.390 nan 8.240 nan 0.000 0.689 232 K N 2.291 122.789 120.400 0.162 0.000 2.464 232 K HA 0.345 4.665 4.320 -0.001 0.000 0.252 232 K C -0.385 176.321 176.600 0.176 0.000 1.000 232 K CA -0.643 55.801 56.287 0.262 0.000 0.951 232 K CB 1.655 34.305 32.500 0.250 0.000 1.183 232 K HN 0.381 nan 8.250 nan 0.000 0.445 233 K N 1.462 121.949 120.400 0.144 0.000 2.174 233 K HA 0.203 4.522 4.320 -0.001 0.000 0.275 233 K C 0.455 177.084 176.600 0.049 0.000 1.015 233 K CA -0.834 55.499 56.287 0.078 0.000 0.933 233 K CB 1.032 33.565 32.500 0.054 0.000 1.025 233 K HN 0.275 nan 8.250 nan 0.000 0.463 234 V N -0.339 119.604 119.914 0.048 0.000 2.811 234 V HA 0.375 4.495 4.120 -0.001 0.000 0.302 234 V C 0.312 176.416 176.094 0.016 0.000 1.063 234 V CA -0.910 61.413 62.300 0.039 0.000 1.088 234 V CB 0.764 32.621 31.823 0.057 0.000 0.982 234 V HN 0.820 nan 8.190 nan 0.000 0.485 235 A N 4.049 126.866 122.820 -0.006 0.000 2.450 235 A HA 0.444 4.763 4.320 -0.001 0.000 0.255 235 A C 0.258 177.932 177.584 0.151 0.000 1.096 235 A CA -0.319 51.703 52.037 -0.026 0.000 0.778 235 A CB -0.136 18.773 19.000 -0.151 0.000 1.031 235 A HN 0.955 nan 8.150 nan 0.000 0.494 236 Q N 1.792 121.728 119.800 0.227 0.000 2.413 236 Q HA 0.228 4.568 4.340 -0.001 0.000 0.258 236 Q C -1.410 174.800 176.000 0.350 0.000 1.037 236 Q CA -0.369 55.584 55.803 0.251 0.000 0.764 236 Q CB 1.684 30.507 28.738 0.141 0.000 1.217 236 Q HN 0.753 nan 8.270 nan 0.000 0.490 237 Y N 2.363 122.780 120.300 0.194 0.000 2.526 237 Y HA -0.036 4.513 4.550 -0.000 0.000 0.330 237 Y C 1.115 176.963 175.900 -0.086 0.000 1.156 237 Y CA 1.187 59.219 58.100 -0.114 0.000 1.419 237 Y CB 0.841 39.217 38.460 -0.141 0.000 1.250 237 Y HN 0.676 nan 8.280 nan 0.000 0.540 238 T N 1.814 115.969 114.554 -0.665 0.000 2.987 238 T HA 0.500 4.849 4.350 -0.001 0.000 0.248 238 T C 0.895 175.255 174.700 -0.567 0.000 0.997 238 T CA 0.334 62.190 62.100 -0.406 0.000 1.013 238 T CB -0.531 68.185 68.868 -0.253 0.000 1.077 238 T HN 1.469 nan 8.240 nan 0.000 0.483 239 G N -0.090 108.057 108.800 -1.088 0.000 2.814 239 G HA2 0.407 4.367 3.960 -0.001 0.000 0.677 239 G HA3 0.407 4.367 3.960 -0.001 0.000 0.677 239 G C -0.003 174.686 174.900 -0.351 0.000 1.429 239 G CA -0.575 44.115 45.100 -0.683 0.000 0.868 239 G HN 1.823 nan 8.290 nan 0.000 0.553 240 G N -0.956 107.708 108.800 -0.227 0.000 2.324 240 G HA2 0.608 4.568 3.960 -0.001 0.000 0.293 240 G HA3 0.608 4.568 3.960 -0.001 0.000 0.293 240 G C -1.281 173.546 174.900 -0.123 0.000 1.297 240 G CA 0.347 45.356 45.100 -0.152 0.000 0.853 240 G HN 0.969 nan 8.290 nan 0.000 0.535 241 E N -0.895 119.249 120.200 -0.094 0.000 2.288 241 E HA 0.733 5.083 4.350 -0.001 0.000 0.268 241 E C -1.221 175.334 176.600 -0.075 0.000 0.885 241 E CA -0.743 55.606 56.400 -0.085 0.000 0.767 241 E CB 2.292 31.952 29.700 -0.067 0.000 1.220 241 E HN 0.544 nan 8.360 nan 0.000 0.427 242 S N 0.909 116.560 115.700 -0.082 0.000 2.558 242 S HA 0.399 4.868 4.470 -0.001 0.000 0.277 242 S C -2.060 172.493 174.600 -0.078 0.000 1.143 242 S CA -0.574 57.587 58.200 -0.065 0.000 0.865 242 S CB 1.360 64.532 63.200 -0.047 0.000 1.102 242 S HN 0.588 nan 8.310 nan 0.000 0.454 243 C N 6.036 125.301 119.300 -0.059 0.000 2.551 243 C HA 0.779 5.239 4.460 -0.001 0.000 0.332 243 C C -0.766 174.201 174.990 -0.039 0.000 1.139 243 C CA -0.719 58.260 59.018 -0.065 0.000 1.328 243 C CB -0.551 27.152 27.740 -0.062 0.000 1.903 243 C HN 0.850 nan 8.230 nan 0.000 0.459 244 I N 3.283 123.835 120.570 -0.029 0.000 2.707 244 I HA 0.716 4.886 4.170 -0.001 0.000 0.309 244 I C -2.541 173.551 176.117 -0.040 0.000 1.001 244 I CA -2.547 58.742 61.300 -0.018 0.000 1.129 244 I CB 1.092 39.109 38.000 0.028 0.000 1.308 244 I HN 0.320 nan 8.210 nan 0.000 0.466 245 P HA 0.194 nan 4.420 nan 0.000 0.268 245 P C -2.525 174.735 177.300 -0.066 0.000 1.208 245 P CA -0.587 62.478 63.100 -0.058 0.000 0.777 245 P CB -0.380 31.295 31.700 -0.042 0.000 0.875 246 P HA 0.048 nan 4.420 nan 0.000 0.266 246 P C -0.387 176.913 177.300 0.000 0.000 1.195 246 P CA 0.383 63.434 63.100 -0.081 0.000 0.768 246 P CB 0.240 31.939 31.700 -0.002 0.000 0.838 247 A N 5.180 128.030 122.820 0.051 0.000 2.406 247 A HA 0.397 4.716 4.320 -0.001 0.000 0.243 247 A C -1.987 175.516 177.584 -0.135 0.000 1.082 247 A CA -0.989 51.060 52.037 0.021 0.000 0.786 247 A CB -1.355 17.723 19.000 0.129 0.000 1.029 247 A HN 0.428 nan 8.150 nan 0.000 0.495 248 P HA 0.231 nan 4.420 nan 0.000 0.268 248 P C -0.378 176.465 177.300 -0.762 0.000 1.204 248 P CA -0.198 62.659 63.100 -0.404 0.000 0.768 248 P CB 0.478 31.990 31.700 -0.313 0.000 0.842 249 V N 1.500 121.158 119.914 -0.425 0.000 2.390 249 V HA 0.140 4.260 4.120 -0.001 0.000 0.260 249 V C 0.385 176.292 176.094 -0.313 0.000 1.043 249 V CA -0.052 62.049 62.300 -0.332 0.000 1.047 249 V CB -1.655 30.092 31.823 -0.127 0.000 1.066 249 V HN 0.228 nan 8.190 nan 0.000 0.481 250 F N 4.182 124.158 119.950 0.044 0.000 2.070 250 F HA 0.574 5.101 4.527 -0.001 0.000 0.199 250 F C 2.020 177.836 175.800 0.026 0.000 0.764 250 F CA 0.911 58.932 58.000 0.035 0.000 1.142 250 F CB -0.984 38.040 39.000 0.039 0.000 2.130 250 F HN 0.612 nan 8.300 nan 0.000 0.625 251 G N 0.129 109.095 108.800 0.277 0.000 2.781 251 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.157 251 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.157 251 G C 0.815 175.780 174.900 0.108 0.000 1.823 251 G CA 0.508 45.693 45.100 0.141 0.000 0.932 251 G HN 0.628 nan 8.290 nan 0.000 0.398 252 N N -0.083 118.667 118.700 0.085 0.000 2.457 252 N HA 0.041 4.781 4.740 -0.001 0.000 0.180 252 N C 0.969 176.525 175.510 0.078 0.000 1.050 252 N CA -0.007 53.081 53.050 0.063 0.000 0.906 252 N CB -0.489 38.025 38.487 0.043 0.000 0.968 252 N HN 0.328 nan 8.380 nan 0.000 0.445 253 L N 1.034 122.328 121.223 0.119 0.000 2.593 253 L HA 0.070 4.409 4.340 -0.001 0.000 0.287 253 L C -1.886 175.058 176.870 0.122 0.000 1.243 253 L CA -1.145 53.781 54.840 0.143 0.000 0.890 253 L CB -0.274 41.934 42.059 0.248 0.000 1.134 253 L HN 0.074 nan 8.230 nan 0.000 0.502 254 P HA 0.118 nan 4.420 nan 0.000 0.280 254 P C -0.635 176.707 177.300 0.071 0.000 1.244 254 P CA -0.520 62.617 63.100 0.061 0.000 0.784 254 P CB 0.694 32.422 31.700 0.046 0.000 0.913 255 E N 2.964 123.182 120.200 0.029 0.000 2.384 255 E HA 0.235 4.585 4.350 -0.001 0.000 0.266 255 E C -1.027 175.576 176.600 0.006 0.000 1.012 255 E CA -0.122 56.294 56.400 0.027 0.000 0.901 255 E CB 0.188 29.881 29.700 -0.013 0.000 0.967 255 E HN 0.363 nan 8.360 nan 0.000 0.435 256 L N 3.947 125.205 121.223 0.058 0.000 2.409 256 L HA 0.504 4.843 4.340 -0.001 0.000 0.262 256 L C -0.955 175.952 176.870 0.060 0.000 0.992 256 L CA -1.044 53.781 54.840 -0.026 0.000 0.817 256 L CB 1.308 43.323 42.059 -0.073 0.000 1.350 256 L HN 0.525 nan 8.230 nan 0.000 0.411 257 F N 0.453 120.218 119.950 -0.307 0.000 2.470 257 F HA 0.593 5.120 4.527 -0.001 0.000 0.329 257 F C 0.288 175.901 175.800 -0.311 0.000 1.072 257 F CA -0.839 57.045 58.000 -0.193 0.000 0.989 257 F CB 1.456 40.440 39.000 -0.026 0.000 1.193 257 F HN 0.303 nan 8.300 nan 0.000 0.481 258 H N 2.387 121.697 119.070 0.399 0.000 2.768 258 H HA 0.622 5.178 4.556 -0.001 0.000 0.371 258 H C -1.102 174.322 175.328 0.160 0.000 1.151 258 H CA -0.673 55.525 56.048 0.251 0.000 1.165 258 H CB 3.203 33.054 29.762 0.148 0.000 1.722 258 H HN 0.600 nan 8.280 nan 0.000 0.543 259 I N 1.498 122.205 120.570 0.228 0.000 2.692 259 I HA 0.196 4.366 4.170 -0.001 0.000 0.293 259 I C -1.461 174.702 176.117 0.076 0.000 1.200 259 I CA -0.418 60.894 61.300 0.019 0.000 1.036 259 I CB 2.416 40.378 38.000 -0.064 0.000 1.258 259 I HN 0.490 nan 8.210 nan 0.000 0.421 260 Q N 7.638 127.461 119.800 0.038 0.000 2.337 260 Q HA 0.612 4.952 4.340 -0.001 0.000 0.270 260 Q C -1.387 174.681 176.000 0.113 0.000 1.043 260 Q CA -0.757 55.137 55.803 0.153 0.000 0.794 260 Q CB 3.227 32.035 28.738 0.117 0.000 1.281 260 Q HN 0.563 nan 8.270 nan 0.000 0.446 261 I N 1.230 121.899 120.570 0.166 0.000 2.466 261 I HA 0.675 4.844 4.170 -0.001 0.000 0.289 261 I C -0.011 176.161 176.117 0.093 0.000 1.026 261 I CA -0.632 60.698 61.300 0.051 0.000 1.078 261 I CB 2.140 40.142 38.000 0.004 0.000 1.249 261 I HN 0.701 nan 8.210 nan 0.000 0.429 262 G N 4.800 113.591 108.800 -0.015 0.000 2.727 262 G HA2 0.806 4.766 3.960 -0.001 0.000 0.289 262 G HA3 0.806 4.766 3.960 -0.001 0.000 0.289 262 G C -1.734 172.983 174.900 -0.306 0.000 1.418 262 G CA -0.400 44.736 45.100 0.060 0.000 0.818 262 G HN 0.321 nan 8.290 nan 0.000 0.486 263 F N -0.880 119.188 119.950 0.196 0.000 2.629 263 F HA 0.478 5.005 4.527 -0.000 0.000 0.316 263 F C 0.289 175.947 175.800 -0.236 0.000 1.081 263 F CA -0.829 57.192 58.000 0.035 0.000 0.954 263 F CB 2.231 41.243 39.000 0.020 0.000 1.337 263 F HN 0.560 nan 8.300 nan 0.000 0.474 264 E N 0.855 120.674 120.200 -0.634 0.000 2.465 264 E HA 0.356 4.706 4.350 -0.001 0.000 0.260 264 E C 0.209 176.651 176.600 -0.262 0.000 0.980 264 E CA 0.191 56.118 56.400 -0.789 0.000 0.927 264 E CB 0.565 29.610 29.700 -1.092 0.000 0.934 264 E HN 0.750 nan 8.360 nan 0.000 0.459 265 G N 3.955 112.696 108.800 -0.098 0.000 2.773 265 G HA2 0.481 4.441 3.960 -0.001 0.000 0.186 265 G HA3 0.481 4.441 3.960 -0.001 0.000 0.186 265 G C -0.618 174.197 174.900 -0.141 0.000 1.411 265 G CA -0.691 44.362 45.100 -0.078 0.000 1.054 265 G HN 0.515 nan 8.290 nan 0.000 0.579 266 L N 0.258 121.391 121.223 -0.151 0.000 2.319 266 L HA 0.412 4.752 4.340 -0.001 0.000 0.267 266 L C -2.465 174.367 176.870 -0.064 0.000 1.011 266 L CA -1.963 52.757 54.840 -0.200 0.000 0.818 266 L CB 2.566 44.371 42.059 -0.424 0.000 1.316 266 L HN 0.211 nan 8.230 nan 0.000 0.432 267 P HA 0.023 nan 4.420 nan 0.000 0.271 267 P C 0.883 178.199 177.300 0.027 0.000 1.216 267 P CA -0.411 62.727 63.100 0.064 0.000 0.776 267 P CB 0.443 32.207 31.700 0.107 0.000 0.881 268 I N 1.238 121.817 120.570 0.016 0.000 2.657 268 I HA -0.175 3.995 4.170 -0.001 0.000 0.261 268 I C 0.370 176.456 176.117 -0.050 0.000 1.212 268 I CA 1.854 63.137 61.300 -0.028 0.000 1.453 268 I CB -1.573 36.426 38.000 -0.002 0.000 1.092 268 I HN 0.235 nan 8.210 nan 0.000 0.452 269 D N -1.023 119.364 120.400 -0.021 0.000 2.395 269 D HA -0.006 4.634 4.640 -0.001 0.000 0.213 269 D C 1.093 177.343 176.300 -0.084 0.000 1.110 269 D CA -0.312 53.626 54.000 -0.103 0.000 0.835 269 D CB -0.678 40.010 40.800 -0.185 0.000 0.965 269 D HN 0.401 nan 8.370 nan 0.000 0.505 270 H N 1.346 120.338 119.070 -0.130 0.000 2.815 270 H HA 0.088 4.644 4.556 -0.001 0.000 0.350 270 H C -1.569 173.678 175.328 -0.135 0.000 1.080 270 H CA -1.144 54.835 56.048 -0.115 0.000 1.433 270 H CB 1.601 31.300 29.762 -0.105 0.000 1.432 270 H HN -0.179 nan 8.280 nan 0.000 0.592 271 P HA -0.092 nan 4.420 nan 0.000 0.221 271 P C 0.312 177.675 177.300 0.105 0.000 1.145 271 P CA 1.166 64.232 63.100 -0.057 0.000 0.795 271 P CB 0.373 31.980 31.700 -0.155 0.000 0.775 272 D N -1.584 119.008 120.400 0.320 0.000 2.342 272 D HA 0.052 4.692 4.640 -0.001 0.000 0.221 272 D C 1.613 177.890 176.300 -0.038 0.000 1.101 272 D CA -0.214 53.848 54.000 0.103 0.000 0.837 272 D CB -0.126 40.695 40.800 0.035 0.000 0.938 272 D HN 0.031 nan 8.370 nan 0.000 0.508 273 I N 0.679 121.196 120.570 -0.087 0.000 2.208 273 I HA -0.290 3.880 4.170 -0.001 0.000 0.245 273 I C 1.583 177.552 176.117 -0.248 0.000 1.097 273 I CA 1.468 62.625 61.300 -0.239 0.000 1.363 273 I CB -0.509 37.282 38.000 -0.347 0.000 1.051 273 I HN 0.019 nan 8.210 nan 0.000 0.413 274 Y N 0.752 121.044 120.300 -0.014 0.000 2.242 274 Y HA -0.100 4.450 4.550 -0.000 0.000 0.291 274 Y C 2.578 178.461 175.900 -0.029 0.000 1.137 274 Y CA 1.246 59.337 58.100 -0.016 0.000 1.181 274 Y CB -1.187 37.266 38.460 -0.013 0.000 0.989 274 Y HN 0.181 nan 8.280 nan 0.000 0.527 275 A N -0.094 122.782 122.820 0.093 0.000 1.877 275 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 275 A C 2.201 179.752 177.584 -0.054 0.000 1.186 275 A CA 1.695 53.739 52.037 0.012 0.000 0.620 275 A CB -1.100 17.882 19.000 -0.029 0.000 0.822 275 A HN 0.409 nan 8.150 nan 0.000 0.443 276 L N -0.415 120.732 121.223 -0.128 0.000 2.131 276 L HA -0.032 4.307 4.340 -0.001 0.000 0.210 276 L C 2.557 179.400 176.870 -0.045 0.000 1.092 276 L CA 2.039 56.743 54.840 -0.227 0.000 0.759 276 L CB -0.563 41.295 42.059 -0.334 0.000 0.903 276 L HN 0.335 nan 8.230 nan 0.000 0.435 277 A N -2.075 120.754 122.820 0.014 0.000 2.016 277 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 277 A C 2.205 179.844 177.584 0.092 0.000 1.162 277 A CA 1.693 53.778 52.037 0.080 0.000 0.662 277 A CB -0.864 18.178 19.000 0.070 0.000 0.812 277 A HN 0.463 nan 8.150 nan 0.000 0.450 278 T N 0.263 114.861 114.554 0.073 0.000 2.777 278 T HA -0.115 4.235 4.350 -0.001 0.000 0.266 278 T C 1.832 176.575 174.700 0.072 0.000 1.040 278 T CA 1.469 63.609 62.100 0.067 0.000 1.141 278 T CB -0.337 68.562 68.868 0.052 0.000 0.868 278 T HN 0.335 nan 8.240 nan 0.000 0.444 279 L N 1.433 122.691 121.223 0.058 0.000 2.042 279 L HA -0.072 4.268 4.340 -0.001 0.000 0.210 279 L C 2.502 179.495 176.870 0.206 0.000 1.076 279 L CA 1.773 56.668 54.840 0.093 0.000 0.749 279 L CB -0.800 41.251 42.059 -0.012 0.000 0.893 279 L HN 0.120 nan 8.230 nan 0.000 0.432 280 Q N -0.712 119.248 119.800 0.268 0.000 2.050 280 Q HA -0.189 4.151 4.340 -0.001 0.000 0.202 280 Q C 2.004 178.067 176.000 0.105 0.000 0.980 280 Q CA 2.535 58.471 55.803 0.222 0.000 0.840 280 Q CB -0.299 28.562 28.738 0.204 0.000 0.898 280 Q HN 0.614 nan 8.270 nan 0.000 0.424 281 T N 1.947 116.559 114.554 0.097 0.000 2.821 281 T HA -0.102 4.248 4.350 -0.001 0.000 0.267 281 T C 1.926 176.673 174.700 0.078 0.000 1.046 281 T CA 1.028 63.174 62.100 0.077 0.000 1.139 281 T CB -0.255 68.656 68.868 0.071 0.000 0.871 281 T HN 0.273 nan 8.240 nan 0.000 0.454 282 L N 0.360 121.631 121.223 0.081 0.000 2.046 282 L HA -0.023 4.317 4.340 -0.001 0.000 0.208 282 L C 2.196 179.105 176.870 0.064 0.000 1.077 282 L CA 1.307 56.190 54.840 0.071 0.000 0.747 282 L CB -0.243 41.856 42.059 0.068 0.000 0.896 282 L HN 0.253 nan 8.230 nan 0.000 0.432 283 L N -0.874 120.393 121.223 0.074 0.000 2.044 283 L HA 0.005 4.345 4.340 -0.001 0.000 0.205 283 L C 1.931 178.825 176.870 0.039 0.000 1.075 283 L CA 0.859 55.727 54.840 0.045 0.000 0.747 283 L CB -1.127 40.968 42.059 0.060 0.000 0.903 283 L HN 0.558 nan 8.230 nan 0.000 0.435 284 G N -0.426 108.403 108.800 0.049 0.000 2.660 284 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.321 284 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.321 284 G C 0.598 175.517 174.900 0.032 0.000 1.246 284 G CA 0.300 45.440 45.100 0.067 0.000 1.000 284 G HN 1.145 nan 8.290 nan 0.000 0.550 285 G N -2.561 106.273 108.800 0.056 0.000 2.549 285 G HA2 0.588 4.548 3.960 -0.001 0.000 0.404 285 G HA3 0.588 4.548 3.960 -0.001 0.000 0.404 285 G C 0.737 175.540 174.900 -0.162 0.000 1.292 285 G CA 0.597 45.607 45.100 -0.151 0.000 0.935 285 G HN 3.092 nan 8.290 nan 0.000 0.512 286 G N -2.217 106.421 108.800 -0.271 0.000 2.351 286 G HA2 0.764 4.724 3.960 -0.001 0.000 0.279 286 G HA3 0.764 4.724 3.960 -0.001 0.000 0.279 286 G C 0.119 174.933 174.900 -0.144 0.000 1.297 286 G CA 0.892 45.919 45.100 -0.122 0.000 0.886 286 G HN 2.342 nan 8.290 nan 0.000 0.493 294 P HA 0.424 nan 4.420 nan 0.000 0.269 294 P C 1.037 178.353 177.300 0.027 0.000 1.217 294 P CA 1.635 64.749 63.100 0.024 0.000 0.783 294 P CB 0.757 32.482 31.700 0.042 0.000 0.898 295 G N 1.091 109.916 108.800 0.041 0.000 2.176 295 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.232 295 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.232 295 G C 0.627 175.545 174.900 0.029 0.000 0.986 295 G CA 0.319 45.443 45.100 0.041 0.000 0.643 295 G HN 0.705 nan 8.290 nan 0.000 0.522 296 K N 0.763 121.165 120.400 0.003 0.000 2.546 296 K HA 0.465 4.784 4.320 -0.001 0.000 0.198 296 K C 1.474 178.065 176.600 -0.016 0.000 1.028 296 K CA 0.566 56.850 56.287 -0.005 0.000 1.150 296 K CB -0.145 32.339 32.500 -0.027 0.000 0.876 296 K HN 1.536 nan 8.250 nan 0.000 0.508 297 G N 2.701 111.498 108.800 -0.005 0.000 2.246 297 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.273 297 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.273 297 G C 0.504 175.310 174.900 -0.157 0.000 1.055 297 G CA 0.633 45.742 45.100 0.015 0.000 0.851 297 G HN 0.611 nan 8.290 nan 0.000 0.500 298 M N -2.553 116.785 119.600 -0.437 0.000 2.619 298 M HA 0.322 4.801 4.480 -0.001 0.000 0.251 298 M C 1.247 177.139 176.300 -0.680 0.000 1.106 298 M CA 0.905 55.618 55.300 -0.977 0.000 1.086 298 M CB -0.078 31.976 32.600 -0.910 0.000 1.465 298 M HN 0.153 nan 8.290 nan 0.000 0.506 299 Y N 1.825 122.056 120.300 -0.115 0.000 2.658 299 Y HA 0.330 4.880 4.550 -0.000 0.000 0.276 299 Y C 0.926 176.849 175.900 0.040 0.000 1.167 299 Y CA -0.851 57.240 58.100 -0.016 0.000 1.230 299 Y CB -0.132 38.318 38.460 -0.016 0.000 1.144 299 Y HN 0.281 nan 8.280 nan 0.000 0.529 300 S N -1.160 114.642 115.700 0.170 0.000 2.616 300 S HA 0.346 4.816 4.470 -0.001 0.000 0.277 300 S C 1.243 175.911 174.600 0.113 0.000 1.234 300 S CA -0.899 57.391 58.200 0.149 0.000 1.028 300 S CB 1.741 65.042 63.200 0.167 0.000 0.988 300 S HN 0.371 nan 8.310 nan 0.000 0.522 301 R N 0.282 120.780 120.500 -0.003 0.000 2.103 301 R HA -0.070 4.270 4.340 -0.001 0.000 0.242 301 R C 1.904 178.141 176.300 -0.106 0.000 1.142 301 R CA 1.660 57.642 56.100 -0.198 0.000 0.960 301 R CB -0.900 29.208 30.300 -0.320 0.000 0.858 301 R HN 0.674 nan 8.270 nan 0.000 0.439 302 L N -0.727 120.478 121.223 -0.029 0.000 2.191 302 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 302 L C 2.158 179.013 176.870 -0.024 0.000 1.103 302 L CA 1.145 55.967 54.840 -0.029 0.000 0.769 302 L CB -0.428 41.593 42.059 -0.063 0.000 0.908 302 L HN 0.177 nan 8.230 nan 0.000 0.438 303 Y N 0.483 120.785 120.300 0.005 0.000 2.130 303 Y HA -0.211 4.338 4.550 -0.000 0.000 0.287 303 Y C 2.864 178.778 175.900 0.023 0.000 1.124 303 Y CA 1.950 60.050 58.100 -0.001 0.000 1.118 303 Y CB -0.556 37.883 38.460 -0.034 0.000 0.994 303 Y HN 0.053 nan 8.280 nan 0.000 0.497 304 T N -1.156 113.557 114.554 0.266 0.000 2.737 304 T HA -0.179 4.171 4.350 -0.001 0.000 0.265 304 T C 1.294 176.171 174.700 0.294 0.000 1.038 304 T CA 1.994 64.252 62.100 0.263 0.000 1.144 304 T CB -0.370 68.701 68.868 0.338 0.000 0.866 304 T HN 0.332 nan 8.240 nan 0.000 0.434 305 H N -0.458 118.637 119.070 0.041 0.000 2.548 305 H HA 0.331 4.886 4.556 -0.001 0.000 0.268 305 H C 1.726 177.082 175.328 0.046 0.000 0.975 305 H CA 0.042 56.107 56.048 0.029 0.000 1.195 305 H CB 0.016 29.811 29.762 0.055 0.000 1.397 305 H HN 0.218 nan 8.280 nan 0.000 0.572 306 V N -0.923 119.089 119.914 0.163 0.000 3.278 306 V HA -0.028 4.092 4.120 -0.001 0.000 0.215 306 V C 1.978 178.108 176.094 0.060 0.000 1.287 306 V CA -0.008 62.398 62.300 0.175 0.000 1.302 306 V CB -0.148 31.741 31.823 0.110 0.000 1.228 306 V HN 0.103 nan 8.190 nan 0.000 0.523 307 L N 1.526 122.730 121.223 -0.032 0.000 2.042 307 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 307 L C 2.163 179.005 176.870 -0.048 0.000 1.076 307 L CA 2.027 56.820 54.840 -0.078 0.000 0.749 307 L CB -1.638 40.296 42.059 -0.208 0.000 0.893 307 L HN 0.437 nan 8.230 nan 0.000 0.432 308 N N -0.825 117.866 118.700 -0.016 0.000 2.396 308 N HA -0.118 4.622 4.740 -0.001 0.000 0.180 308 N C 1.790 177.185 175.510 -0.191 0.000 1.028 308 N CA 0.580 53.602 53.050 -0.047 0.000 0.893 308 N CB 0.027 38.514 38.487 0.000 0.000 0.967 308 N HN 0.394 nan 8.380 nan 0.000 0.440 309 Q N -0.427 119.183 119.800 -0.318 0.000 2.204 309 Q HA 0.089 4.429 4.340 -0.001 0.000 0.198 309 Q C -0.168 175.256 176.000 -0.960 0.000 0.946 309 Q CA 0.794 56.204 55.803 -0.655 0.000 0.859 309 Q CB 0.166 28.375 28.738 -0.881 0.000 0.946 309 Q HN 0.424 nan 8.270 nan 0.000 0.474 310 Y N -0.108 119.879 120.300 -0.522 0.000 2.361 310 Y HA 0.224 4.774 4.550 -0.000 0.000 0.337 310 Y C 0.207 175.624 175.900 -0.806 0.000 0.965 310 Y CA -1.167 56.346 58.100 -0.979 0.000 1.091 310 Y CB 0.858 38.474 38.460 -1.407 0.000 1.182 310 Y HN 0.030 nan 8.280 nan 0.000 0.450 311 Y N -0.518 119.580 120.300 -0.338 0.000 2.507 311 Y HA 0.209 4.759 4.550 -0.001 0.000 0.254 311 Y C 0.738 176.584 175.900 -0.090 0.000 1.171 311 Y CA -0.954 57.047 58.100 -0.164 0.000 1.238 311 Y CB -0.241 38.182 38.460 -0.060 0.000 1.148 311 Y HN 0.519 nan 8.280 nan 0.000 0.525 312 F N -0.514 119.698 119.950 0.436 0.000 2.811 312 F HA 0.336 4.863 4.527 -0.000 0.000 0.301 312 F C -0.113 175.756 175.800 0.114 0.000 1.151 312 F CA -1.078 57.062 58.000 0.233 0.000 1.412 312 F CB -0.938 38.156 39.000 0.156 0.000 1.113 312 F HN -0.170 nan 8.300 nan 0.000 0.579 313 V N 2.474 122.386 119.914 -0.003 0.000 2.350 313 V HA 0.191 4.311 4.120 -0.001 0.000 0.276 313 V C 0.878 176.997 176.094 0.041 0.000 1.028 313 V CA -0.378 61.937 62.300 0.024 0.000 0.860 313 V CB 1.215 32.982 31.823 -0.094 0.000 0.990 313 V HN 0.334 nan 8.190 nan 0.000 0.453 314 E N 4.436 124.678 120.200 0.071 0.000 2.400 314 E HA 0.056 4.406 4.350 -0.001 0.000 0.195 314 E C 0.467 177.094 176.600 0.045 0.000 1.012 314 E CA 0.449 56.888 56.400 0.064 0.000 0.875 314 E CB 0.325 30.074 29.700 0.082 0.000 0.859 314 E HN 0.695 nan 8.360 nan 0.000 0.498 315 N N -1.127 117.600 118.700 0.045 0.000 2.446 315 N HA 0.365 5.105 4.740 -0.001 0.000 0.272 315 N C -2.378 173.141 175.510 0.016 0.000 1.127 315 N CA -0.688 52.377 53.050 0.025 0.000 0.896 315 N CB 2.180 40.713 38.487 0.077 0.000 1.658 315 N HN 0.174 nan 8.380 nan 0.000 0.483 316 C N 3.596 122.871 119.300 -0.041 0.000 2.817 316 C HA 0.792 5.251 4.460 -0.001 0.000 0.385 316 C C -1.642 173.308 174.990 -0.067 0.000 1.050 316 C CA -0.281 58.716 59.018 -0.035 0.000 1.245 316 C CB -0.199 27.510 27.740 -0.053 0.000 1.706 316 C HN 0.642 nan 8.230 nan 0.000 0.488 317 V N 5.185 125.087 119.914 -0.021 0.000 3.147 317 V HA 0.932 5.051 4.120 -0.001 0.000 0.306 317 V C -0.125 175.934 176.094 -0.059 0.000 1.209 317 V CA 0.247 62.528 62.300 -0.033 0.000 1.023 317 V CB 2.312 34.135 31.823 0.000 0.000 1.059 317 V HN 1.423 nan 8.190 nan 0.000 0.435 318 A N 3.981 126.735 122.820 -0.110 0.000 2.306 318 A HA 0.906 5.226 4.320 -0.001 0.000 0.314 318 A C -0.854 176.565 177.584 -0.274 0.000 1.164 318 A CA -0.293 51.574 52.037 -0.284 0.000 0.822 318 A CB 0.582 19.435 19.000 -0.246 0.000 1.130 318 A HN 1.390 nan 8.150 nan 0.000 0.496 319 F N -0.014 119.693 119.950 -0.404 0.000 2.579 319 F HA 0.710 5.236 4.527 -0.000 0.000 0.324 319 F C -0.451 174.951 175.800 -0.663 0.000 1.058 319 F CA -1.612 56.114 58.000 -0.456 0.000 0.944 319 F CB 1.789 40.561 39.000 -0.380 0.000 1.245 319 F HN 0.527 nan 8.300 nan 0.000 0.477 320 N N 0.969 119.529 118.700 -0.235 0.000 2.653 320 N HA 0.152 4.892 4.740 -0.001 0.000 0.261 320 N C -1.812 173.618 175.510 -0.134 0.000 1.216 320 N CA -0.526 52.457 53.050 -0.110 0.000 0.784 320 N CB 0.416 38.935 38.487 0.054 0.000 1.327 320 N HN 0.699 nan 8.380 nan 0.000 0.539 321 H N 1.247 120.387 119.070 0.116 0.000 2.652 321 H HA 0.211 4.766 4.556 -0.000 0.000 0.298 321 H C -0.581 174.620 175.328 -0.212 0.000 1.076 321 H CA -0.044 55.967 56.048 -0.062 0.000 1.360 321 H CB 1.718 31.531 29.762 0.085 0.000 1.421 321 H HN 0.259 nan 8.280 nan 0.000 0.464 322 S N 4.130 119.614 115.700 -0.360 0.000 2.561 322 S HA 0.525 4.995 4.470 -0.001 0.000 0.303 322 S C -1.152 173.100 174.600 -0.580 0.000 1.110 322 S CA -0.503 57.508 58.200 -0.315 0.000 1.034 322 S CB 0.415 63.532 63.200 -0.138 0.000 1.010 322 S HN 0.408 nan 8.310 nan 0.000 0.482 323 Y N 1.163 121.518 120.300 0.092 0.000 2.805 323 Y HA 0.378 4.928 4.550 -0.000 0.000 0.321 323 Y C 2.055 177.988 175.900 0.055 0.000 1.203 323 Y CA -0.324 57.813 58.100 0.060 0.000 1.165 323 Y CB 0.261 38.737 38.460 0.027 0.000 1.371 323 Y HN 0.659 nan 8.280 nan 0.000 0.564 324 S N -0.146 115.701 115.700 0.245 0.000 2.383 324 S HA -0.188 4.282 4.470 -0.001 0.000 0.229 324 S C 0.686 175.371 174.600 0.141 0.000 1.030 324 S CA 1.990 60.290 58.200 0.166 0.000 1.002 324 S CB -0.433 62.858 63.200 0.151 0.000 0.829 324 S HN 0.810 nan 8.310 nan 0.000 0.467 325 D N -0.637 119.848 120.400 0.141 0.000 2.527 325 D HA 0.445 5.084 4.640 -0.001 0.000 0.224 325 D C 0.248 176.633 176.300 0.141 0.000 1.217 325 D CA 0.031 54.102 54.000 0.118 0.000 0.819 325 D CB 0.339 41.191 40.800 0.088 0.000 1.061 325 D HN 0.357 nan 8.370 nan 0.000 0.515 326 S N -1.897 113.917 115.700 0.191 0.000 2.660 326 S HA 0.674 5.144 4.470 -0.001 0.000 0.264 326 S C -1.394 173.394 174.600 0.313 0.000 1.131 326 S CA -0.177 58.163 58.200 0.234 0.000 0.846 326 S CB 1.024 64.417 63.200 0.321 0.000 1.151 326 S HN 0.626 nan 8.310 nan 0.000 0.486 327 G N 0.205 109.200 108.800 0.324 0.000 2.506 327 G HA2 0.609 4.568 3.960 -0.001 0.000 0.292 327 G HA3 0.609 4.568 3.960 -0.001 0.000 0.292 327 G C -2.185 172.895 174.900 0.300 0.000 1.425 327 G CA -0.544 44.751 45.100 0.325 0.000 0.788 327 G HN 0.798 nan 8.290 nan 0.000 0.490 328 I N 0.228 120.999 120.570 0.335 0.000 2.466 328 I HA 0.513 4.683 4.170 -0.001 0.000 0.289 328 I C -1.437 174.945 176.117 0.441 0.000 1.026 328 I CA -0.627 60.870 61.300 0.329 0.000 1.078 328 I CB 2.249 40.424 38.000 0.292 0.000 1.249 328 I HN 0.409 nan 8.210 nan 0.000 0.429 329 F N 4.924 124.986 119.950 0.186 0.000 2.507 329 F HA 0.882 5.409 4.527 -0.001 0.000 0.325 329 F C 0.154 175.906 175.800 -0.080 0.000 1.116 329 F CA -0.026 57.997 58.000 0.039 0.000 0.930 329 F CB 1.875 40.801 39.000 -0.124 0.000 1.146 329 F HN 0.550 nan 8.300 nan 0.000 0.447 330 G N 4.890 112.988 108.800 -1.170 0.000 2.348 330 G HA2 0.410 4.369 3.960 -0.001 0.000 0.296 330 G HA3 0.410 4.369 3.960 -0.001 0.000 0.296 330 G C -2.082 171.929 174.900 -1.482 0.000 1.258 330 G CA -0.817 43.695 45.100 -0.980 0.000 0.868 330 G HN 0.648 nan 8.290 nan 0.000 0.488 331 I N 0.727 120.857 120.570 -0.734 0.000 2.509 331 I HA 0.573 4.743 4.170 -0.001 0.000 0.293 331 I C -0.022 176.098 176.117 0.005 0.000 1.020 331 I CA -0.824 60.250 61.300 -0.376 0.000 1.088 331 I CB 2.219 40.126 38.000 -0.154 0.000 1.267 331 I HN 0.454 nan 8.210 nan 0.000 0.430 332 S N 6.269 122.055 115.700 0.143 0.000 2.549 332 S HA 0.757 5.226 4.470 -0.001 0.000 0.297 332 S C -1.131 173.548 174.600 0.131 0.000 1.115 332 S CA -0.532 57.808 58.200 0.233 0.000 1.059 332 S CB 1.260 64.630 63.200 0.284 0.000 1.046 332 S HN 0.471 nan 8.310 nan 0.000 0.506 333 L N 3.274 124.587 121.223 0.151 0.000 2.482 333 L HA 0.650 4.990 4.340 -0.001 0.000 0.263 333 L C -1.352 175.640 176.870 0.204 0.000 0.957 333 L CA -0.120 54.803 54.840 0.139 0.000 0.836 333 L CB 1.743 43.870 42.059 0.115 0.000 1.324 333 L HN 0.723 nan 8.230 nan 0.000 0.406 334 S N 3.555 119.368 115.700 0.188 0.000 2.532 334 S HA 0.869 5.339 4.470 -0.001 0.000 0.299 334 S C -0.431 174.247 174.600 0.129 0.000 1.105 334 S CA -0.471 57.849 58.200 0.200 0.000 1.018 334 S CB 1.437 64.813 63.200 0.294 0.000 1.021 334 S HN 0.919 nan 8.310 nan 0.000 0.483 335 C N 1.726 121.084 119.300 0.097 0.000 3.340 335 C HA 0.699 5.159 4.460 -0.001 0.000 0.333 335 C C -0.925 174.066 174.990 0.001 0.000 1.464 335 C CA -1.121 57.960 59.018 0.106 0.000 1.337 335 C CB -0.220 27.631 27.740 0.185 0.000 1.740 335 C HN 0.618 nan 8.230 nan 0.000 0.450 336 I N 2.290 122.863 120.570 0.004 0.000 2.634 336 I HA 0.255 4.424 4.170 -0.001 0.000 0.284 336 I C -1.129 174.770 176.117 -0.364 0.000 1.124 336 I CA -2.193 59.029 61.300 -0.130 0.000 1.417 336 I CB 0.375 38.352 38.000 -0.039 0.000 1.396 336 I HN 0.541 nan 8.210 nan 0.000 0.571 337 P HA -0.228 nan 4.420 nan 0.000 0.218 337 P C 1.260 178.150 177.300 -0.684 0.000 1.154 337 P CA 1.545 63.919 63.100 -1.210 0.000 0.872 337 P CB 0.252 31.290 31.700 -1.103 0.000 0.790 338 Q N -0.944 118.602 119.800 -0.425 0.000 2.181 338 Q HA -0.084 4.255 4.340 -0.001 0.000 0.205 338 Q C 2.143 177.935 176.000 -0.347 0.000 0.980 338 Q CA 1.928 57.542 55.803 -0.314 0.000 0.862 338 Q CB -1.276 27.328 28.738 -0.223 0.000 0.905 338 Q HN 0.240 nan 8.270 nan 0.000 0.429 339 A N -0.095 122.495 122.820 -0.385 0.000 2.178 339 A HA 0.272 4.591 4.320 -0.001 0.000 0.211 339 A C 2.141 179.520 177.584 -0.342 0.000 1.157 339 A CA 0.820 52.559 52.037 -0.497 0.000 0.780 339 A CB -0.550 18.076 19.000 -0.623 0.000 0.828 339 A HN 0.312 nan 8.150 nan 0.000 0.476 340 A N 1.322 123.942 122.820 -0.334 0.000 1.954 340 A HA -0.194 4.126 4.320 -0.001 0.000 0.222 340 A C 0.142 177.554 177.584 -0.287 0.000 1.199 340 A CA 2.334 54.140 52.037 -0.384 0.000 0.657 340 A CB -1.843 16.781 19.000 -0.626 0.000 0.823 340 A HN 0.451 nan 8.150 nan 0.000 0.463 341 P HA -0.157 nan 4.420 nan 0.000 0.220 341 P C 1.193 178.442 177.300 -0.085 0.000 1.144 341 P CA 1.520 64.537 63.100 -0.139 0.000 0.800 341 P CB -0.056 31.560 31.700 -0.140 0.000 0.772 342 Q N -1.896 117.827 119.800 -0.129 0.000 2.384 342 Q HA 0.205 4.545 4.340 -0.001 0.000 0.207 342 Q C 2.053 178.031 176.000 -0.036 0.000 0.904 342 Q CA 0.331 56.076 55.803 -0.097 0.000 0.933 342 Q CB -0.245 28.382 28.738 -0.184 0.000 1.077 342 Q HN 0.120 nan 8.270 nan 0.000 0.522 343 A N 0.884 123.720 122.820 0.025 0.000 1.869 343 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 343 A C 2.256 179.887 177.584 0.078 0.000 1.203 343 A CA 1.894 53.992 52.037 0.103 0.000 0.638 343 A CB -1.032 18.126 19.000 0.264 0.000 0.831 343 A HN 0.204 nan 8.150 nan 0.000 0.450 344 V N -0.079 119.906 119.914 0.119 0.000 2.252 344 V HA -0.341 3.779 4.120 -0.001 0.000 0.249 344 V C 2.587 178.662 176.094 -0.031 0.000 1.056 344 V CA 2.671 65.006 62.300 0.059 0.000 1.022 344 V CB -0.858 31.016 31.823 0.086 0.000 0.641 344 V HN 0.808 nan 8.190 nan 0.000 0.445 345 E N -0.118 120.061 120.200 -0.035 0.000 2.051 345 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 345 E C 2.138 178.629 176.600 -0.181 0.000 0.991 345 E CA 1.760 58.093 56.400 -0.112 0.000 0.799 345 E CB -0.118 29.576 29.700 -0.011 0.000 0.748 345 E HN 0.394 nan 8.360 nan 0.000 0.449 346 V N 1.249 121.092 119.914 -0.118 0.000 2.252 346 V HA -0.331 3.789 4.120 -0.001 0.000 0.249 346 V C 2.397 178.422 176.094 -0.115 0.000 1.056 346 V CA 2.137 64.364 62.300 -0.122 0.000 1.022 346 V CB -0.533 31.195 31.823 -0.159 0.000 0.641 346 V HN 0.369 nan 8.190 nan 0.000 0.445 347 I N 0.334 120.845 120.570 -0.099 0.000 2.163 347 I HA -0.274 3.895 4.170 -0.001 0.000 0.243 347 I C 2.722 178.736 176.117 -0.172 0.000 1.085 347 I CA 1.605 62.848 61.300 -0.095 0.000 1.347 347 I CB -0.715 37.258 38.000 -0.046 0.000 1.044 347 I HN 0.312 nan 8.210 nan 0.000 0.408 348 A N 0.192 122.855 122.820 -0.261 0.000 1.917 348 A HA -0.300 4.019 4.320 -0.001 0.000 0.219 348 A C 2.268 179.538 177.584 -0.522 0.000 1.182 348 A CA 1.870 53.648 52.037 -0.431 0.000 0.633 348 A CB -0.740 17.835 19.000 -0.708 0.000 0.819 348 A HN 0.498 nan 8.150 nan 0.000 0.448 349 Q N -1.072 118.405 119.800 -0.539 0.000 2.061 349 Q HA -0.233 4.106 4.340 -0.001 0.000 0.204 349 Q C 2.406 178.385 176.000 -0.035 0.000 0.984 349 Q CA 1.624 57.281 55.803 -0.243 0.000 0.846 349 Q CB -0.231 28.451 28.738 -0.092 0.000 0.902 349 Q HN 0.656 nan 8.270 nan 0.000 0.421 350 Q N 0.118 119.883 119.800 -0.058 0.000 2.096 350 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 350 Q C 2.019 177.966 176.000 -0.088 0.000 0.982 350 Q CA 1.535 57.322 55.803 -0.026 0.000 0.850 350 Q CB -0.390 28.324 28.738 -0.039 0.000 0.901 350 Q HN 0.497 nan 8.270 nan 0.000 0.422 351 M N -0.848 118.605 119.600 -0.245 0.000 2.086 351 M HA -0.195 4.285 4.480 -0.001 0.000 0.261 351 M C 2.146 178.322 176.300 -0.208 0.000 1.067 351 M CA 1.573 56.511 55.300 -0.604 0.000 1.116 351 M CB -0.543 31.451 32.600 -1.010 0.000 1.348 351 M HN 0.138 nan 8.290 nan 0.000 0.407 352 Y N 1.847 122.030 120.300 -0.195 0.000 2.114 352 Y HA -0.277 4.272 4.550 -0.001 0.000 0.282 352 Y C 1.933 177.693 175.900 -0.233 0.000 1.165 352 Y CA 1.793 59.779 58.100 -0.191 0.000 1.148 352 Y CB -0.344 38.108 38.460 -0.013 0.000 0.972 352 Y HN 0.269 nan 8.280 nan 0.000 0.504 353 N N -0.297 118.451 118.700 0.081 0.000 2.635 353 N HA -0.110 4.630 4.740 -0.001 0.000 0.191 353 N C 1.524 177.044 175.510 0.016 0.000 1.155 353 N CA 1.409 54.490 53.050 0.052 0.000 0.927 353 N CB -0.614 37.964 38.487 0.152 0.000 0.976 353 N HN 0.640 nan 8.380 nan 0.000 0.448 354 T N -3.114 111.485 114.554 0.075 0.000 3.057 354 T HA 0.060 4.410 4.350 -0.001 0.000 0.254 354 T C 1.202 176.057 174.700 0.258 0.000 1.094 354 T CA 0.245 62.462 62.100 0.193 0.000 1.088 354 T CB -0.177 68.888 68.868 0.328 0.000 0.934 354 T HN 0.300 nan 8.240 nan 0.000 0.497 355 F N -0.642 119.264 119.950 -0.073 0.000 2.743 355 F HA 0.732 5.258 4.527 -0.001 0.000 0.356 355 F C 1.600 177.281 175.800 -0.198 0.000 0.845 355 F CA -0.331 57.611 58.000 -0.098 0.000 1.058 355 F CB -0.121 38.843 39.000 -0.058 0.000 0.952 355 F HN 0.090 nan 8.300 nan 0.000 0.620 356 A N 0.484 122.392 122.820 -1.521 0.000 2.307 356 A HA 0.257 4.576 4.320 -0.001 0.000 0.218 356 A C 0.458 177.499 177.584 -0.905 0.000 1.228 356 A CA 0.240 51.468 52.037 -1.349 0.000 0.857 356 A CB -0.712 17.052 19.000 -2.059 0.000 0.897 356 A HN 0.330 nan 8.150 nan 0.000 0.495 357 N N 1.035 119.412 118.700 -0.538 0.000 2.621 357 N HA 0.096 4.835 4.740 -0.001 0.000 0.237 357 N C 0.849 176.319 175.510 -0.066 0.000 0.997 357 N CA -0.175 52.796 53.050 -0.131 0.000 0.918 357 N CB 0.871 39.387 38.487 0.049 0.000 1.122 357 N HN 0.452 nan 8.380 nan 0.000 0.510 358 K N 1.446 121.820 120.400 -0.045 0.000 2.218 358 K HA -0.131 4.188 4.320 -0.001 0.000 0.205 358 K C -0.103 176.500 176.600 0.004 0.000 1.046 358 K CA 1.279 57.554 56.287 -0.019 0.000 0.933 358 K CB 0.245 32.739 32.500 -0.010 0.000 0.728 358 K HN 0.307 nan 8.250 nan 0.000 0.454 359 D N 0.389 120.800 120.400 0.019 0.000 2.350 359 D HA 0.088 4.728 4.640 -0.001 0.000 0.213 359 D C 0.850 177.174 176.300 0.041 0.000 1.031 359 D CA 0.477 54.494 54.000 0.028 0.000 0.861 359 D CB 0.428 41.246 40.800 0.031 0.000 0.926 359 D HN 0.223 nan 8.370 nan 0.000 0.520 360 L N 0.784 122.035 121.223 0.046 0.000 3.288 360 L HA 0.226 4.565 4.340 -0.001 0.000 0.293 360 L C 0.277 177.180 176.870 0.055 0.000 1.294 360 L CA -0.500 54.384 54.840 0.073 0.000 1.006 360 L CB 0.783 42.910 42.059 0.114 0.000 1.407 360 L HN -0.295 nan 8.230 nan 0.000 0.592 361 R N 0.792 121.312 120.500 0.032 0.000 2.756 361 R HA 0.132 4.472 4.340 -0.001 0.000 0.264 361 R C -0.213 176.113 176.300 0.042 0.000 1.026 361 R CA 0.277 56.394 56.100 0.027 0.000 1.121 361 R CB 0.267 30.578 30.300 0.019 0.000 0.999 361 R HN 0.162 nan 8.270 nan 0.000 0.449 362 L N 3.038 124.288 121.223 0.045 0.000 2.477 362 L HA 0.113 4.452 4.340 -0.001 0.000 0.272 362 L C 0.848 177.740 176.870 0.036 0.000 1.157 362 L CA -0.066 54.802 54.840 0.046 0.000 0.889 362 L CB 0.258 42.345 42.059 0.048 0.000 1.158 362 L HN 0.772 nan 8.230 nan 0.000 0.473 363 T N -1.059 113.517 114.554 0.038 0.000 2.882 363 T HA 0.124 4.473 4.350 -0.001 0.000 0.287 363 T C 1.088 175.801 174.700 0.022 0.000 1.014 363 T CA -0.820 61.297 62.100 0.029 0.000 1.049 363 T CB 1.451 70.338 68.868 0.033 0.000 1.001 363 T HN 0.538 nan 8.240 nan 0.000 0.525 364 E N 1.204 121.412 120.200 0.014 0.000 2.085 364 E HA -0.163 4.187 4.350 -0.001 0.000 0.194 364 E C 1.739 178.343 176.600 0.006 0.000 0.994 364 E CA 1.597 58.002 56.400 0.008 0.000 0.801 364 E CB -0.218 29.484 29.700 0.004 0.000 0.743 364 E HN 0.719 nan 8.360 nan 0.000 0.453 365 D N 0.731 121.134 120.400 0.005 0.000 2.084 365 D HA -0.148 4.492 4.640 -0.001 0.000 0.194 365 D C 1.902 178.206 176.300 0.005 0.000 0.990 365 D CA 0.925 54.923 54.000 -0.003 0.000 0.826 365 D CB -0.157 40.638 40.800 -0.008 0.000 0.971 365 D HN 0.335 nan 8.370 nan 0.000 0.453 366 E N 0.459 120.671 120.200 0.020 0.000 2.038 366 E HA -0.139 4.211 4.350 -0.001 0.000 0.195 366 E C 2.373 178.990 176.600 0.029 0.000 1.000 366 E CA 0.763 57.181 56.400 0.032 0.000 0.803 366 E CB 0.002 29.727 29.700 0.040 0.000 0.750 366 E HN 0.055 nan 8.360 nan 0.000 0.448 367 V N 0.727 120.656 119.914 0.024 0.000 2.358 367 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 367 V C 2.425 178.529 176.094 0.016 0.000 1.047 367 V CA 1.850 64.164 62.300 0.022 0.000 1.035 367 V CB -0.325 31.509 31.823 0.018 0.000 0.658 367 V HN 0.252 nan 8.190 nan 0.000 0.452 368 S N -0.496 115.209 115.700 0.009 0.000 2.368 368 S HA -0.238 4.232 4.470 -0.001 0.000 0.225 368 S C 2.219 176.822 174.600 0.004 0.000 1.030 368 S CA 1.928 60.130 58.200 0.002 0.000 0.999 368 S CB -0.283 62.914 63.200 -0.005 0.000 0.844 368 S HN 0.580 nan 8.310 nan 0.000 0.459 369 R N 0.454 120.957 120.500 0.006 0.000 2.066 369 R HA 0.015 4.355 4.340 -0.001 0.000 0.232 369 R C 2.381 178.696 176.300 0.026 0.000 1.131 369 R CA 1.368 57.474 56.100 0.010 0.000 0.955 369 R CB -0.716 29.589 30.300 0.009 0.000 0.851 369 R HN 0.417 nan 8.270 nan 0.000 0.432 370 A N 1.436 124.276 122.820 0.034 0.000 1.883 370 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 370 A C 2.023 179.629 177.584 0.037 0.000 1.186 370 A CA 1.786 53.849 52.037 0.043 0.000 0.624 370 A CB -0.421 18.608 19.000 0.049 0.000 0.822 370 A HN 0.386 nan 8.150 nan 0.000 0.444 371 K N -0.258 120.158 120.400 0.027 0.000 2.044 371 K HA -0.171 4.148 4.320 -0.001 0.000 0.210 371 K C 1.800 178.409 176.600 0.015 0.000 1.049 371 K CA 1.600 57.898 56.287 0.020 0.000 0.927 371 K CB -0.285 32.219 32.500 0.007 0.000 0.713 371 K HN 0.414 nan 8.250 nan 0.000 0.443 372 N N 1.056 119.763 118.700 0.011 0.000 2.223 372 N HA -0.150 4.590 4.740 -0.001 0.000 0.185 372 N C 1.708 177.229 175.510 0.018 0.000 1.016 372 N CA 1.159 54.214 53.050 0.008 0.000 0.863 372 N CB -0.050 38.440 38.487 0.004 0.000 0.983 372 N HN 0.346 nan 8.380 nan 0.000 0.429 373 Q N -0.073 119.744 119.800 0.027 0.000 2.230 373 Q HA -0.038 4.302 4.340 -0.001 0.000 0.202 373 Q C 1.901 177.925 176.000 0.039 0.000 0.963 373 Q CA 0.511 56.335 55.803 0.035 0.000 0.866 373 Q CB -0.006 28.759 28.738 0.045 0.000 0.931 373 Q HN 0.214 nan 8.270 nan 0.000 0.452 374 L N 1.257 122.505 121.223 0.041 0.000 2.023 374 L HA -0.143 4.197 4.340 -0.001 0.000 0.205 374 L C 1.862 178.757 176.870 0.042 0.000 1.073 374 L CA 1.826 56.696 54.840 0.051 0.000 0.745 374 L CB -0.260 41.837 42.059 0.064 0.000 0.900 374 L HN -0.061 nan 8.230 nan 0.000 0.435 375 K N -0.791 119.624 120.400 0.025 0.000 2.074 375 K HA -0.197 4.123 4.320 -0.001 0.000 0.209 375 K C 2.324 178.934 176.600 0.016 0.000 1.048 375 K CA 1.610 57.903 56.287 0.010 0.000 0.926 375 K CB -0.541 31.954 32.500 -0.008 0.000 0.713 375 K HN 0.415 nan 8.250 nan 0.000 0.444 376 S N 1.137 116.848 115.700 0.018 0.000 2.351 376 S HA -0.184 4.286 4.470 -0.001 0.000 0.220 376 S C 2.175 176.790 174.600 0.025 0.000 1.035 376 S CA 2.149 60.361 58.200 0.020 0.000 1.031 376 S CB -0.335 62.878 63.200 0.021 0.000 0.928 376 S HN 0.476 nan 8.310 nan 0.000 0.433 377 S N 1.089 116.807 115.700 0.031 0.000 2.423 377 S HA 0.059 4.528 4.470 -0.001 0.000 0.231 377 S C 1.916 176.537 174.600 0.034 0.000 1.014 377 S CA 0.935 59.155 58.200 0.033 0.000 0.965 377 S CB -0.688 62.535 63.200 0.037 0.000 0.785 377 S HN 0.532 nan 8.310 nan 0.000 0.495 378 L N 0.654 121.899 121.223 0.037 0.000 1.988 378 L HA 0.011 4.351 4.340 -0.001 0.000 0.207 378 L C 2.714 179.602 176.870 0.029 0.000 1.071 378 L CA 1.282 56.146 54.840 0.039 0.000 0.744 378 L CB -0.732 41.356 42.059 0.050 0.000 0.893 378 L HN 0.291 nan 8.230 nan 0.000 0.433 379 L N -0.816 120.420 121.223 0.022 0.000 2.043 379 L HA -0.276 4.063 4.340 -0.001 0.000 0.212 379 L C 2.702 179.584 176.870 0.020 0.000 1.075 379 L CA 1.502 56.352 54.840 0.017 0.000 0.752 379 L CB -0.411 41.655 42.059 0.010 0.000 0.891 379 L HN 0.337 nan 8.230 nan 0.000 0.432 380 M N -1.053 118.561 119.600 0.022 0.000 2.132 380 M HA -0.209 4.271 4.480 -0.001 0.000 0.263 380 M C 2.059 178.376 176.300 0.028 0.000 1.065 380 M CA 1.624 56.939 55.300 0.024 0.000 1.122 380 M CB -0.600 32.015 32.600 0.025 0.000 1.365 380 M HN 0.318 nan 8.290 nan 0.000 0.411 381 N N 0.574 119.292 118.700 0.029 0.000 2.166 381 N HA -0.142 4.598 4.740 -0.001 0.000 0.186 381 N C 1.328 176.857 175.510 0.032 0.000 1.019 381 N CA 0.990 54.059 53.050 0.031 0.000 0.856 381 N CB 0.106 38.611 38.487 0.031 0.000 0.993 381 N HN 0.156 nan 8.380 nan 0.000 0.426 382 L N 1.918 123.158 121.223 0.028 0.000 2.633 382 L HA -0.017 4.323 4.340 -0.001 0.000 0.235 382 L C 1.689 178.575 176.870 0.027 0.000 1.163 382 L CA 1.121 55.977 54.840 0.026 0.000 0.859 382 L CB -0.708 41.362 42.059 0.019 0.000 0.973 382 L HN 0.143 nan 8.230 nan 0.000 0.451 383 E N -1.531 118.687 120.200 0.030 0.000 2.274 383 E HA -0.074 4.276 4.350 -0.001 0.000 0.194 383 E C 0.924 177.549 176.600 0.042 0.000 0.996 383 E CA 0.195 56.614 56.400 0.032 0.000 0.840 383 E CB 0.139 29.859 29.700 0.033 0.000 0.772 383 E HN 0.277 nan 8.360 nan 0.000 0.491 384 S N 0.489 116.219 115.700 0.051 0.000 2.499 384 S HA 0.073 4.542 4.470 -0.001 0.000 0.275 384 S C 0.849 175.494 174.600 0.076 0.000 1.257 384 S CA -0.401 57.843 58.200 0.073 0.000 1.050 384 S CB 0.934 64.176 63.200 0.070 0.000 0.937 384 S HN 0.036 nan 8.310 nan 0.000 0.490 385 K N 3.486 123.945 120.400 0.098 0.000 2.063 385 K HA -0.071 4.248 4.320 -0.001 0.000 0.208 385 K C 1.604 178.272 176.600 0.113 0.000 1.048 385 K CA 1.146 57.486 56.287 0.089 0.000 0.928 385 K CB -0.181 32.376 32.500 0.094 0.000 0.713 385 K HN 0.527 nan 8.250 nan 0.000 0.442 386 L N 0.629 121.932 121.223 0.134 0.000 2.131 386 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 386 L C 2.274 179.201 176.870 0.095 0.000 1.092 386 L CA 1.375 56.286 54.840 0.118 0.000 0.759 386 L CB -0.950 41.169 42.059 0.100 0.000 0.903 386 L HN 0.004 nan 8.230 nan 0.000 0.435 387 V N -0.465 119.494 119.914 0.075 0.000 2.379 387 V HA -0.234 3.885 4.120 -0.001 0.000 0.245 387 V C 2.557 178.677 176.094 0.043 0.000 1.044 387 V CA 1.455 63.789 62.300 0.057 0.000 1.036 387 V CB -0.346 31.505 31.823 0.046 0.000 0.664 387 V HN 0.472 nan 8.190 nan 0.000 0.453 388 E N 0.028 120.254 120.200 0.044 0.000 2.058 388 E HA -0.278 4.072 4.350 -0.001 0.000 0.194 388 E C 2.217 178.830 176.600 0.022 0.000 0.997 388 E CA 1.683 58.100 56.400 0.027 0.000 0.801 388 E CB -0.142 29.579 29.700 0.035 0.000 0.746 388 E HN 0.441 nan 8.360 nan 0.000 0.450 389 L N 1.631 122.886 121.223 0.054 0.000 1.989 389 L HA -0.230 4.110 4.340 -0.001 0.000 0.211 389 L C 2.365 179.234 176.870 -0.002 0.000 1.071 389 L CA 2.432 57.309 54.840 0.062 0.000 0.749 389 L CB -0.543 41.596 42.059 0.134 0.000 0.890 389 L HN 0.221 nan 8.230 nan 0.000 0.431 390 E N -0.935 119.299 120.200 0.057 0.000 2.077 390 E HA -0.300 4.049 4.350 -0.001 0.000 0.193 390 E C 1.885 178.424 176.600 -0.101 0.000 0.989 390 E CA 1.439 57.864 56.400 0.042 0.000 0.800 390 E CB -0.196 29.584 29.700 0.134 0.000 0.746 390 E HN 0.723 nan 8.360 nan 0.000 0.452 391 D N -0.111 120.254 120.400 -0.057 0.000 2.144 391 D HA -0.209 4.431 4.640 -0.001 0.000 0.199 391 D C 2.158 178.372 176.300 -0.143 0.000 0.984 391 D CA 1.404 55.360 54.000 -0.075 0.000 0.834 391 D CB -0.078 40.700 40.800 -0.036 0.000 0.955 391 D HN 0.243 nan 8.370 nan 0.000 0.465 392 M N -0.346 119.160 119.600 -0.157 0.000 2.077 392 M HA -0.021 4.458 4.480 -0.001 0.000 0.261 392 M C 2.210 178.348 176.300 -0.271 0.000 1.070 392 M CA 2.107 57.298 55.300 -0.181 0.000 1.125 392 M CB -0.490 32.058 32.600 -0.086 0.000 1.339 392 M HN 0.152 nan 8.290 nan 0.000 0.409 393 G N 0.546 109.042 108.800 -0.506 0.000 2.476 393 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.218 393 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.218 393 G C 1.531 176.114 174.900 -0.529 0.000 1.164 393 G CA 1.103 45.680 45.100 -0.871 0.000 0.768 393 G HN 0.504 nan 8.290 nan 0.000 0.560 394 R N -0.189 120.073 120.500 -0.397 0.000 2.092 394 R HA -0.004 4.335 4.340 -0.001 0.000 0.231 394 R C 2.810 178.988 176.300 -0.203 0.000 1.119 394 R CA 1.255 57.247 56.100 -0.181 0.000 0.970 394 R CB -0.347 29.905 30.300 -0.080 0.000 0.864 394 R HN 0.438 nan 8.270 nan 0.000 0.440 395 Q N 0.218 119.874 119.800 -0.240 0.000 2.050 395 Q HA -0.127 4.212 4.340 -0.001 0.000 0.202 395 Q C 2.249 177.991 176.000 -0.430 0.000 0.980 395 Q CA 1.527 57.107 55.803 -0.370 0.000 0.840 395 Q CB -0.001 28.597 28.738 -0.234 0.000 0.898 395 Q HN 0.175 nan 8.270 nan 0.000 0.424 396 V N 0.943 120.723 119.914 -0.223 0.000 2.358 396 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 396 V C 2.193 178.229 176.094 -0.096 0.000 1.047 396 V CA 1.239 63.480 62.300 -0.097 0.000 1.035 396 V CB -0.464 31.374 31.823 0.026 0.000 0.658 396 V HN 0.308 nan 8.190 nan 0.000 0.452 397 L N -0.754 120.408 121.223 -0.102 0.000 2.042 397 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 397 L C 2.256 179.091 176.870 -0.060 0.000 1.076 397 L CA 2.257 57.070 54.840 -0.044 0.000 0.749 397 L CB -0.501 41.554 42.059 -0.006 0.000 0.893 397 L HN 0.303 nan 8.230 nan 0.000 0.432 398 M N -1.376 118.133 119.600 -0.151 0.000 2.191 398 M HA -0.116 4.363 4.480 -0.001 0.000 0.262 398 M C 0.797 177.065 176.300 -0.055 0.000 1.083 398 M CA 1.773 57.005 55.300 -0.112 0.000 1.154 398 M CB -0.012 32.512 32.600 -0.128 0.000 1.344 398 M HN 0.584 nan 8.290 nan 0.000 0.431 399 H N -2.616 116.471 119.070 0.028 0.000 2.665 399 H HA 0.504 5.060 4.556 -0.001 0.000 0.248 399 H C 0.563 175.913 175.328 0.037 0.000 1.175 399 H CA -0.086 55.979 56.048 0.029 0.000 0.952 399 H CB -0.706 29.067 29.762 0.019 0.000 1.883 399 H HN 0.444 nan 8.280 nan 0.000 0.623 400 G N 2.027 110.842 108.800 0.025 0.000 2.421 400 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.300 400 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.300 400 G C 0.004 174.990 174.900 0.143 0.000 0.974 400 G CA 0.756 45.901 45.100 0.075 0.000 1.062 400 G HN 0.932 nan 8.290 nan 0.000 0.514 401 R N -2.240 118.344 120.500 0.141 0.000 2.709 401 R HA 0.687 5.027 4.340 -0.001 0.000 0.270 401 R C -1.249 175.046 176.300 -0.008 0.000 1.038 401 R CA -1.263 54.944 56.100 0.177 0.000 0.872 401 R CB 1.143 31.558 30.300 0.190 0.000 1.259 401 R HN 0.118 nan 8.270 nan 0.000 0.473 402 K N 2.679 122.904 120.400 -0.293 0.000 2.425 402 K HA 0.322 4.642 4.320 -0.001 0.000 0.259 402 K C -0.550 175.877 176.600 -0.288 0.000 0.978 402 K CA -0.756 55.216 56.287 -0.525 0.000 0.883 402 K CB 1.368 33.056 32.500 -1.354 0.000 1.110 402 K HN 0.701 nan 8.250 nan 0.000 0.436 403 I N 6.864 127.377 120.570 -0.094 0.000 2.668 403 I HA 0.087 4.257 4.170 -0.001 0.000 0.285 403 I C -1.942 174.134 176.117 -0.067 0.000 1.168 403 I CA -1.452 59.827 61.300 -0.035 0.000 1.424 403 I CB 0.788 38.809 38.000 0.035 0.000 1.377 403 I HN 0.553 nan 8.210 nan 0.000 0.560 404 P HA -0.003 nan 4.420 nan 0.000 0.271 404 P C 1.011 178.294 177.300 -0.028 0.000 1.216 404 P CA -0.198 62.880 63.100 -0.037 0.000 0.771 404 P CB 1.295 32.990 31.700 -0.008 0.000 0.864 405 V N 3.725 123.623 119.914 -0.028 0.000 2.317 405 V HA -0.342 3.777 4.120 -0.001 0.000 0.251 405 V C 2.313 178.385 176.094 -0.037 0.000 1.065 405 V CA 2.476 64.761 62.300 -0.025 0.000 1.049 405 V CB -1.552 30.261 31.823 -0.017 0.000 0.651 405 V HN 0.605 nan 8.190 nan 0.000 0.450 406 N N -0.238 118.444 118.700 -0.031 0.000 2.060 406 N HA -0.295 4.445 4.740 -0.001 0.000 0.195 406 N C 2.001 177.476 175.510 -0.060 0.000 1.028 406 N CA 1.644 54.671 53.050 -0.039 0.000 0.861 406 N CB -0.250 38.222 38.487 -0.025 0.000 1.029 406 N HN 0.650 nan 8.380 nan 0.000 0.428 407 E N 1.077 121.245 120.200 -0.053 0.000 2.085 407 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 407 E C 2.126 178.645 176.600 -0.135 0.000 0.994 407 E CA 0.907 57.267 56.400 -0.066 0.000 0.801 407 E CB -0.021 29.660 29.700 -0.031 0.000 0.743 407 E HN 0.332 nan 8.360 nan 0.000 0.453 408 M N 0.409 119.928 119.600 -0.135 0.000 2.086 408 M HA -0.181 4.299 4.480 -0.001 0.000 0.261 408 M C 2.062 178.139 176.300 -0.372 0.000 1.067 408 M CA 1.566 56.703 55.300 -0.271 0.000 1.116 408 M CB -0.097 32.455 32.600 -0.080 0.000 1.348 408 M HN 0.172 nan 8.290 nan 0.000 0.407 409 I N -0.279 120.172 120.570 -0.198 0.000 2.226 409 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 409 I C 2.375 178.388 176.117 -0.174 0.000 1.100 409 I CA 1.233 62.436 61.300 -0.161 0.000 1.374 409 I CB -0.418 37.528 38.000 -0.090 0.000 1.057 409 I HN 0.335 nan 8.210 nan 0.000 0.413 410 S N 0.746 116.354 115.700 -0.153 0.000 2.353 410 S HA -0.229 4.241 4.470 -0.001 0.000 0.222 410 S C 1.933 176.436 174.600 -0.161 0.000 1.035 410 S CA 1.456 59.581 58.200 -0.125 0.000 1.025 410 S CB -0.268 62.876 63.200 -0.094 0.000 0.902 410 S HN 0.355 nan 8.310 nan 0.000 0.440 411 K N 0.548 120.799 120.400 -0.247 0.000 2.160 411 K HA -0.055 4.264 4.320 -0.001 0.000 0.206 411 K C 1.915 178.363 176.600 -0.253 0.000 1.047 411 K CA 1.177 57.305 56.287 -0.264 0.000 0.930 411 K CB -0.317 31.939 32.500 -0.406 0.000 0.720 411 K HN 0.390 nan 8.250 nan 0.000 0.450 412 I N 0.712 121.090 120.570 -0.320 0.000 2.277 412 I HA -0.194 3.975 4.170 -0.001 0.000 0.243 412 I C 1.929 177.994 176.117 -0.087 0.000 1.094 412 I CA 1.117 62.314 61.300 -0.171 0.000 1.393 412 I CB -0.188 37.719 38.000 -0.156 0.000 1.078 412 I HN 0.163 nan 8.210 nan 0.000 0.417 413 E N 0.824 120.969 120.200 -0.092 0.000 2.265 413 E HA -0.210 4.140 4.350 -0.001 0.000 0.196 413 E C 1.005 177.579 176.600 -0.044 0.000 0.996 413 E CA 0.940 57.306 56.400 -0.057 0.000 0.832 413 E CB -0.044 29.622 29.700 -0.055 0.000 0.756 413 E HN 0.460 nan 8.360 nan 0.000 0.491 414 D N 0.215 120.585 120.400 -0.051 0.000 2.349 414 D HA 0.033 4.673 4.640 -0.001 0.000 0.224 414 D C 0.402 176.689 176.300 -0.022 0.000 1.029 414 D CA 0.269 54.249 54.000 -0.035 0.000 0.879 414 D CB 0.148 40.926 40.800 -0.037 0.000 0.906 414 D HN 0.126 nan 8.370 nan 0.000 0.528 415 L N 0.914 122.126 121.223 -0.019 0.000 2.456 415 L HA 0.123 4.463 4.340 -0.001 0.000 0.272 415 L C 0.574 177.441 176.870 -0.004 0.000 1.189 415 L CA 0.405 55.243 54.840 -0.004 0.000 0.846 415 L CB 0.532 42.596 42.059 0.007 0.000 1.111 415 L HN -0.342 nan 8.230 nan 0.000 0.475 416 K N 3.361 123.760 120.400 -0.002 0.000 2.328 416 K HA 0.352 4.672 4.320 -0.001 0.000 0.246 416 K C -1.852 174.749 176.600 0.001 0.000 0.955 416 K CA -1.570 54.716 56.287 -0.002 0.000 0.817 416 K CB 1.749 34.247 32.500 -0.003 0.000 1.208 416 K HN 0.093 nan 8.250 nan 0.000 0.432 417 P HA -0.270 nan 4.420 nan 0.000 0.218 417 P C 0.219 177.523 177.300 0.008 0.000 1.154 417 P CA 1.464 64.570 63.100 0.010 0.000 0.872 417 P CB 0.221 31.928 31.700 0.013 0.000 0.790 418 D N -0.956 119.446 120.400 0.004 0.000 2.144 418 D HA -0.151 4.488 4.640 -0.001 0.000 0.199 418 D C 1.507 177.801 176.300 -0.010 0.000 0.984 418 D CA 1.031 55.032 54.000 0.001 0.000 0.834 418 D CB -0.609 40.191 40.800 -0.001 0.000 0.955 418 D HN 0.240 nan 8.370 nan 0.000 0.465 419 D N 0.675 121.068 120.400 -0.012 0.000 2.104 419 D HA -0.126 4.514 4.640 -0.001 0.000 0.194 419 D C 2.194 178.472 176.300 -0.037 0.000 0.994 419 D CA 0.540 54.527 54.000 -0.021 0.000 0.830 419 D CB -0.027 40.767 40.800 -0.010 0.000 0.959 419 D HN 0.233 nan 8.370 nan 0.000 0.452 420 I N 0.941 121.496 120.570 -0.025 0.000 2.315 420 I HA -0.137 4.032 4.170 -0.001 0.000 0.248 420 I C 2.355 178.447 176.117 -0.042 0.000 1.117 420 I CA 0.779 62.057 61.300 -0.036 0.000 1.404 420 I CB -1.201 36.796 38.000 -0.005 0.000 1.071 420 I HN -0.139 nan 8.210 nan 0.000 0.419 421 S N 0.511 116.204 115.700 -0.011 0.000 2.368 421 S HA -0.131 4.339 4.470 -0.001 0.000 0.224 421 S C 2.127 176.702 174.600 -0.043 0.000 1.029 421 S CA 0.919 59.129 58.200 0.016 0.000 0.988 421 S CB -0.220 63.008 63.200 0.046 0.000 0.838 421 S HN 0.376 nan 8.310 nan 0.000 0.462 422 R N 0.950 121.413 120.500 -0.062 0.000 2.073 422 R HA -0.084 4.255 4.340 -0.001 0.000 0.234 422 R C 2.039 178.228 176.300 -0.185 0.000 1.134 422 R CA 1.454 57.494 56.100 -0.100 0.000 0.952 422 R CB -0.429 29.827 30.300 -0.073 0.000 0.850 422 R HN 0.258 nan 8.270 nan 0.000 0.433 423 V N 1.005 120.802 119.914 -0.196 0.000 2.427 423 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 423 V C 2.487 178.320 176.094 -0.435 0.000 1.051 423 V CA 1.813 63.935 62.300 -0.296 0.000 1.048 423 V CB -0.675 30.984 31.823 -0.274 0.000 0.666 423 V HN 0.530 nan 8.190 nan 0.000 0.456 424 A N 0.062 122.666 122.820 -0.361 0.000 1.877 424 A HA -0.300 4.019 4.320 -0.001 0.000 0.216 424 A C 2.281 179.474 177.584 -0.651 0.000 1.186 424 A CA 2.149 53.938 52.037 -0.414 0.000 0.620 424 A CB -0.552 18.431 19.000 -0.029 0.000 0.822 424 A HN 0.661 nan 8.150 nan 0.000 0.443 425 E N -0.619 119.142 120.200 -0.731 0.000 2.058 425 E HA -0.264 4.085 4.350 -0.001 0.000 0.194 425 E C 2.045 178.224 176.600 -0.702 0.000 0.997 425 E CA 1.627 57.346 56.400 -1.136 0.000 0.801 425 E CB -0.283 29.051 29.700 -0.610 0.000 0.746 425 E HN 0.622 nan 8.360 nan 0.000 0.450 426 M N 0.423 119.730 119.600 -0.489 0.000 2.082 426 M HA -0.203 4.277 4.480 -0.001 0.000 0.258 426 M C 1.856 177.882 176.300 -0.456 0.000 1.069 426 M CA 1.653 56.721 55.300 -0.387 0.000 1.102 426 M CB -0.102 32.306 32.600 -0.320 0.000 1.336 426 M HN 0.221 nan 8.290 nan 0.000 0.404 427 I N 0.167 120.365 120.570 -0.620 0.000 2.163 427 I HA -0.244 3.925 4.170 -0.001 0.000 0.240 427 I C 2.198 177.882 176.117 -0.722 0.000 1.081 427 I CA 1.720 62.602 61.300 -0.698 0.000 1.353 427 I CB -1.687 35.702 38.000 -1.020 0.000 1.054 427 I HN 0.271 nan 8.210 nan 0.000 0.407 428 F N 1.019 120.608 119.950 -0.601 0.000 2.604 428 F HA -0.043 4.483 4.527 -0.001 0.000 0.298 428 F C 2.430 177.782 175.800 -0.746 0.000 1.131 428 F CA 0.710 58.227 58.000 -0.805 0.000 1.457 428 F CB -1.459 37.274 39.000 -0.444 0.000 1.095 428 F HN 0.005 nan 8.300 nan 0.000 0.574 429 T N -1.046 113.276 114.554 -0.388 0.000 3.100 429 T HA 0.216 4.566 4.350 -0.001 0.000 0.253 429 T C 1.719 176.309 174.700 -0.183 0.000 1.118 429 T CA 0.805 62.775 62.100 -0.216 0.000 1.058 429 T CB -0.460 68.296 68.868 -0.187 0.000 0.953 429 T HN 0.435 nan 8.240 nan 0.000 0.515 430 G N 2.400 111.039 108.800 -0.268 0.000 2.176 430 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.252 430 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.252 430 G C 0.471 175.319 174.900 -0.086 0.000 1.024 430 G CA -0.046 44.996 45.100 -0.097 0.000 0.755 430 G HN 0.465 nan 8.290 nan 0.000 0.507 431 N N -0.086 118.524 118.700 -0.149 0.000 2.327 431 N HA 0.211 4.951 4.740 -0.001 0.000 0.231 431 N C 0.577 176.011 175.510 -0.126 0.000 1.130 431 N CA 0.123 53.102 53.050 -0.117 0.000 0.845 431 N CB 0.602 39.013 38.487 -0.126 0.000 1.073 431 N HN 0.280 nan 8.380 nan 0.000 0.496 432 V N 1.398 121.227 119.914 -0.143 0.000 2.607 432 V HA 0.176 4.295 4.120 -0.001 0.000 0.289 432 V C 0.409 176.460 176.094 -0.073 0.000 1.053 432 V CA -0.365 61.849 62.300 -0.143 0.000 0.996 432 V CB 1.382 33.086 31.823 -0.199 0.000 0.995 432 V HN 0.181 nan 8.190 nan 0.000 0.476 433 N N 4.174 122.850 118.700 -0.040 0.000 2.904 433 N HA 0.306 5.045 4.740 -0.001 0.000 0.257 433 N C -0.782 174.746 175.510 0.030 0.000 1.363 433 N CA -0.313 52.739 53.050 0.002 0.000 0.856 433 N CB 0.694 39.186 38.487 0.008 0.000 1.166 433 N HN 0.604 nan 8.380 nan 0.000 0.499 434 N N 0.243 118.963 118.700 0.034 0.000 2.476 434 N HA 0.222 4.962 4.740 -0.001 0.000 0.275 434 N C 1.298 176.849 175.510 0.068 0.000 1.190 434 N CA -0.319 52.768 53.050 0.062 0.000 0.977 434 N CB 1.083 39.613 38.487 0.072 0.000 1.200 434 N HN 0.292 nan 8.380 nan 0.000 0.515 435 A N 0.991 123.854 122.820 0.072 0.000 1.958 435 A HA -0.162 4.158 4.320 -0.001 0.000 0.221 435 A C 1.853 179.481 177.584 0.072 0.000 1.178 435 A CA 2.272 54.348 52.037 0.065 0.000 0.642 435 A CB -1.206 17.832 19.000 0.064 0.000 0.816 435 A HN 0.734 nan 8.150 nan 0.000 0.453 436 G N -1.272 107.584 108.800 0.093 0.000 2.776 436 G HA2 0.022 3.982 3.960 -0.001 0.000 0.209 436 G HA3 0.022 3.982 3.960 -0.001 0.000 0.209 436 G C 0.606 175.568 174.900 0.103 0.000 1.145 436 G CA 0.768 45.931 45.100 0.105 0.000 0.791 436 G HN 0.823 nan 8.290 nan 0.000 0.530 437 N N -0.555 118.198 118.700 0.088 0.000 2.671 437 N HA -0.101 4.639 4.740 -0.001 0.000 0.261 437 N C 0.708 176.279 175.510 0.101 0.000 1.053 437 N CA 0.741 53.838 53.050 0.078 0.000 0.732 437 N CB -1.182 37.342 38.487 0.062 0.000 0.887 437 N HN 0.442 nan 8.380 nan 0.000 0.546 438 G N 1.142 110.021 108.800 0.130 0.000 2.594 438 G HA2 0.302 4.262 3.960 -0.001 0.000 0.243 438 G HA3 0.302 4.262 3.960 -0.001 0.000 0.243 438 G C 0.262 175.271 174.900 0.182 0.000 1.229 438 G CA -0.499 44.722 45.100 0.203 0.000 0.843 438 G HN 0.328 nan 8.290 nan 0.000 0.578 439 K N -0.056 120.484 120.400 0.234 0.000 2.149 439 K HA 0.250 4.569 4.320 -0.001 0.000 0.245 439 K C 1.163 177.909 176.600 0.243 0.000 1.024 439 K CA -0.013 56.385 56.287 0.185 0.000 0.899 439 K CB 0.826 33.405 32.500 0.132 0.000 1.038 439 K HN 0.479 nan 8.250 nan 0.000 0.496 440 G N 0.396 109.310 108.800 0.190 0.000 3.502 440 G HA2 0.010 3.970 3.960 -0.001 0.000 0.267 440 G HA3 0.010 3.970 3.960 -0.001 0.000 0.267 440 G C 0.387 175.474 174.900 0.312 0.000 1.090 440 G CA -0.187 45.036 45.100 0.204 0.000 0.795 440 G HN 0.343 nan 8.290 nan 0.000 0.535 441 R N 0.794 121.474 120.500 0.300 0.000 2.490 441 R HA 0.559 4.898 4.340 -0.001 0.000 0.280 441 R C 0.556 177.006 176.300 0.249 0.000 1.077 441 R CA -0.286 55.958 56.100 0.239 0.000 1.065 441 R CB 0.655 31.018 30.300 0.105 0.000 1.003 441 R HN 0.115 nan 8.270 nan 0.000 0.470 442 A N 2.634 125.510 122.820 0.092 0.000 2.346 442 A HA 0.244 4.563 4.320 -0.001 0.000 0.252 442 A C -0.441 177.013 177.584 -0.218 0.000 1.089 442 A CA -0.002 51.813 52.037 -0.370 0.000 0.797 442 A CB 0.632 19.327 19.000 -0.508 0.000 1.047 442 A HN 0.729 nan 8.150 nan 0.000 0.494 443 T N 1.006 115.398 114.554 -0.270 0.000 2.786 443 T HA 0.532 4.881 4.350 -0.001 0.000 0.283 443 T C -0.826 173.781 174.700 -0.155 0.000 0.992 443 T CA -0.237 61.760 62.100 -0.172 0.000 0.954 443 T CB 0.937 69.734 68.868 -0.118 0.000 0.934 443 T HN 0.475 nan 8.240 nan 0.000 0.440 444 V N 4.044 123.878 119.914 -0.134 0.000 2.483 444 V HA 0.641 4.761 4.120 -0.001 0.000 0.297 444 V C -0.483 175.532 176.094 -0.131 0.000 1.027 444 V CA -0.759 61.467 62.300 -0.124 0.000 0.855 444 V CB 1.837 33.585 31.823 -0.125 0.000 0.995 444 V HN 0.647 nan 8.190 nan 0.000 0.424 445 V N 7.232 127.069 119.914 -0.128 0.000 2.735 445 V HA 0.819 4.939 4.120 -0.001 0.000 0.310 445 V C -0.578 175.408 176.094 -0.181 0.000 1.061 445 V CA -0.423 61.799 62.300 -0.131 0.000 0.913 445 V CB 1.991 33.762 31.823 -0.086 0.000 1.005 445 V HN 0.954 nan 8.190 nan 0.000 0.428 446 M N 4.335 123.809 119.600 -0.209 0.000 2.520 446 M HA 0.600 5.079 4.480 -0.001 0.000 0.280 446 M C -1.688 174.539 176.300 -0.122 0.000 1.232 446 M CA -0.767 54.371 55.300 -0.270 0.000 0.892 446 M CB 2.183 34.295 32.600 -0.814 0.000 1.728 446 M HN 0.598 nan 8.290 nan 0.000 0.475 447 Q N 1.195 120.993 119.800 -0.002 0.000 2.333 447 Q HA 0.757 5.096 4.340 -0.001 0.000 0.268 447 Q C -0.632 175.274 176.000 -0.157 0.000 1.007 447 Q CA 0.193 56.005 55.803 0.015 0.000 0.810 447 Q CB 1.972 30.811 28.738 0.168 0.000 1.264 447 Q HN 1.154 nan 8.270 nan 0.000 0.452 448 G N 2.824 111.379 108.800 -0.408 0.000 2.339 448 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.275 448 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.275 448 G C -1.798 172.744 174.900 -0.596 0.000 1.323 448 G CA -0.610 43.719 45.100 -1.285 0.000 0.927 448 G HN 0.690 nan 8.290 nan 0.000 0.486 449 D N -0.559 119.532 120.400 -0.514 0.000 2.312 449 D HA 0.507 5.147 4.640 -0.001 0.000 0.252 449 D C 1.517 177.859 176.300 0.070 0.000 1.150 449 D CA -0.388 53.572 54.000 -0.068 0.000 0.870 449 D CB 1.479 42.323 40.800 0.074 0.000 1.153 449 D HN 0.563 nan 8.370 nan 0.000 0.457 450 R N 3.347 123.901 120.500 0.089 0.000 2.103 450 R HA -0.087 4.253 4.340 -0.001 0.000 0.242 450 R C 2.051 178.467 176.300 0.192 0.000 1.142 450 R CA 2.261 58.462 56.100 0.168 0.000 0.960 450 R CB -1.049 29.296 30.300 0.074 0.000 0.858 450 R HN 0.623 nan 8.270 nan 0.000 0.439 451 G N -0.757 108.105 108.800 0.103 0.000 2.476 451 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.218 451 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.218 451 G C 1.502 176.439 174.900 0.063 0.000 1.164 451 G CA 1.138 46.283 45.100 0.075 0.000 0.768 451 G HN 0.435 nan 8.290 nan 0.000 0.560 452 S N 0.422 116.136 115.700 0.023 0.000 2.444 452 S HA -0.123 4.346 4.470 -0.001 0.000 0.244 452 S C 1.713 176.180 174.600 -0.221 0.000 1.025 452 S CA 1.146 59.283 58.200 -0.106 0.000 0.995 452 S CB -0.333 62.814 63.200 -0.089 0.000 0.781 452 S HN 0.390 nan 8.310 nan 0.000 0.496 453 F N 0.937 120.924 119.950 0.063 0.000 2.754 453 F HA 0.326 4.852 4.527 -0.001 0.000 0.297 453 F C 1.755 177.570 175.800 0.024 0.000 1.122 453 F CA 0.344 58.371 58.000 0.045 0.000 1.400 453 F CB -0.452 38.570 39.000 0.038 0.000 1.117 453 F HN 0.311 nan 8.300 nan 0.000 0.587 454 G N 0.287 109.183 108.800 0.159 0.000 2.693 454 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.226 454 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.226 454 G C -0.543 174.417 174.900 0.100 0.000 1.354 454 G CA -0.326 44.834 45.100 0.100 0.000 0.873 454 G HN 0.169 nan 8.290 nan 0.000 0.562 455 D N 0.645 121.089 120.400 0.073 0.000 2.498 455 D HA 0.305 4.944 4.640 -0.001 0.000 0.229 455 D C 2.016 178.360 176.300 0.072 0.000 1.188 455 D CA 0.439 54.477 54.000 0.064 0.000 1.028 455 D CB 0.411 41.242 40.800 0.051 0.000 1.087 455 D HN 0.326 nan 8.370 nan 0.000 0.510 456 V N 3.443 123.401 119.914 0.074 0.000 2.252 456 V HA -0.272 3.847 4.120 -0.001 0.000 0.249 456 V C 2.413 178.547 176.094 0.067 0.000 1.056 456 V CA 2.133 64.473 62.300 0.066 0.000 1.022 456 V CB -0.498 31.345 31.823 0.032 0.000 0.641 456 V HN 0.574 nan 8.190 nan 0.000 0.445 457 E N 0.221 120.456 120.200 0.058 0.000 2.110 457 E HA -0.286 4.064 4.350 -0.001 0.000 0.193 457 E C 2.067 178.721 176.600 0.089 0.000 0.988 457 E CA 1.595 58.037 56.400 0.071 0.000 0.804 457 E CB -0.177 29.557 29.700 0.056 0.000 0.745 457 E HN 0.621 nan 8.360 nan 0.000 0.458 458 N N -0.189 118.558 118.700 0.078 0.000 2.084 458 N HA -0.147 4.593 4.740 -0.001 0.000 0.190 458 N C 1.709 177.283 175.510 0.107 0.000 1.030 458 N CA 1.535 54.633 53.050 0.078 0.000 0.849 458 N CB -0.128 38.395 38.487 0.060 0.000 1.012 458 N HN 0.047 nan 8.380 nan 0.000 0.423 459 V N 0.929 120.917 119.914 0.122 0.000 2.407 459 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 459 V C 2.314 178.563 176.094 0.257 0.000 1.055 459 V CA 1.290 63.700 62.300 0.183 0.000 1.049 459 V CB -0.565 31.345 31.823 0.144 0.000 0.662 459 V HN 0.320 nan 8.190 nan 0.000 0.455 460 L N -0.601 120.737 121.223 0.192 0.000 2.027 460 L HA -0.177 4.163 4.340 -0.001 0.000 0.206 460 L C 2.624 179.644 176.870 0.250 0.000 1.074 460 L CA 1.706 56.684 54.840 0.230 0.000 0.745 460 L CB -0.606 41.584 42.059 0.219 0.000 0.898 460 L HN 0.258 nan 8.230 nan 0.000 0.433 461 K N 0.101 120.612 120.400 0.186 0.000 2.057 461 K HA -0.135 4.185 4.320 -0.001 0.000 0.207 461 K C 2.223 178.899 176.600 0.128 0.000 1.049 461 K CA 1.276 57.653 56.287 0.150 0.000 0.931 461 K CB -0.296 32.268 32.500 0.107 0.000 0.714 461 K HN 0.271 nan 8.250 nan 0.000 0.440 462 A N 0.543 123.429 122.820 0.111 0.000 1.986 462 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 462 A C 1.365 178.885 177.584 -0.107 0.000 1.171 462 A CA 1.399 53.430 52.037 -0.010 0.000 0.640 462 A CB -0.571 18.406 19.000 -0.037 0.000 0.811 462 A HN 0.344 nan 8.150 nan 0.000 0.451 463 Y N -0.961 119.353 120.300 0.023 0.000 2.468 463 Y HA 0.366 4.916 4.550 -0.001 0.000 0.268 463 Y C 1.750 177.760 175.900 0.184 0.000 1.177 463 Y CA 0.149 58.267 58.100 0.028 0.000 1.265 463 Y CB 0.004 38.471 38.460 0.013 0.000 1.103 463 Y HN 0.433 nan 8.280 nan 0.000 0.522 464 G N 0.635 109.585 108.800 0.250 0.000 2.155 464 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.257 464 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.257 464 G C 0.047 175.099 174.900 0.253 0.000 0.983 464 G CA 0.130 45.370 45.100 0.233 0.000 0.676 464 G HN 0.282 nan 8.290 nan 0.000 0.528 465 L N 0.067 121.452 121.223 0.270 0.000 2.395 465 L HA 0.612 4.951 4.340 -0.001 0.000 0.269 465 L C 1.376 178.358 176.870 0.186 0.000 1.133 465 L CA 0.383 55.345 54.840 0.204 0.000 0.812 465 L CB 0.989 43.212 42.059 0.274 0.000 1.125 465 L HN 1.095 nan 8.230 nan 0.000 0.452 466 G N 2.291 111.103 108.800 0.021 0.000 2.698 466 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.225 466 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.225 466 G C -1.092 173.880 174.900 0.120 0.000 1.345 466 G CA -0.414 44.810 45.100 0.206 0.000 0.871 466 G HN 0.829 nan 8.290 nan 0.000 0.540 467 N N -1.256 117.533 118.700 0.148 0.000 2.397 467 N HA 0.658 5.398 4.740 -0.001 0.000 0.291 467 N C 0.530 176.102 175.510 0.104 0.000 1.065 467 N CA 0.201 53.310 53.050 0.098 0.000 0.884 467 N CB 1.910 40.441 38.487 0.072 0.000 1.551 467 N HN 0.493 nan 8.380 nan 0.000 0.487 468 S N 0.150 115.900 115.700 0.084 0.000 2.497 468 S HA 0.085 4.554 4.470 -0.001 0.000 0.218 468 S C 0.150 174.785 174.600 0.058 0.000 1.023 468 S CA -0.173 58.071 58.200 0.074 0.000 0.913 468 S CB 0.005 63.246 63.200 0.070 0.000 0.800 468 S HN 0.702 nan 8.310 nan 0.000 0.505 469 S N 1.815 117.546 115.700 0.052 0.000 2.429 469 S HA 0.592 5.061 4.470 -0.001 0.000 0.302 469 S C 0.107 174.732 174.600 0.040 0.000 1.115 469 S CA -0.645 57.580 58.200 0.041 0.000 1.095 469 S CB 1.342 64.563 63.200 0.035 0.000 0.987 469 S HN 0.080 nan 8.310 nan 0.000 0.474 470 S N 0.000 115.723 115.700 0.039 0.000 2.498 470 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 470 S CA 0.000 58.223 58.200 0.038 0.000 1.107 470 S CB 0.000 63.221 63.200 0.036 0.000 0.593 470 S HN 0.000 nan 8.310 nan 0.000 0.517