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 2q17_1_E DATA FIRST_RESID 19 DATA SEQUENCE RPRSTRGQVR LPGGEFAMGD AFGEGYPADG ETPVHTVRLR PFHIDETAVT DATA SEQUENCE NARFAAFVKA TGHVTDAERF GSSAVFHLVV AAPDADVLGS AAGAPWWINV DATA SEQUENCE RGAHWRRPEG ARSDITGRPN HPVVHVSWND ATAYARWAGK RLPTEAEWEY DATA SEQUENCE AARGGLAGRR YAWGDELTPG GRWRCNIWQG RFPHVNTAED GHLSTAPVKS DATA SEQUENCE YRPNGHGLWN TAGNVWEWCS DWFSPTYYAE SPTVDPHGPG TGAARVLRGG DATA SEQUENCE SYLcHDSYcN RYRVAARSSN TPDSSSGNLG FRCANDADL 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 19 R HA 0.000 nan 4.340 nan 0.000 0.208 19 R C 0.000 176.248 176.300 -0.086 0.000 0.893 19 R CA 0.000 56.050 56.100 -0.083 0.000 0.921 19 R CB 0.000 30.216 30.300 -0.140 0.000 0.687 20 P HA 0.154 nan 4.420 nan 0.000 0.271 20 P C -0.708 176.530 177.300 -0.104 0.000 1.216 20 P CA -0.510 62.540 63.100 -0.083 0.000 0.776 20 P CB 0.531 32.183 31.700 -0.081 0.000 0.881 21 R N 1.532 121.982 120.500 -0.083 0.000 2.585 21 R HA 0.251 4.591 4.340 -0.000 0.000 0.275 21 R C -0.226 176.001 176.300 -0.121 0.000 1.018 21 R CA 0.384 56.429 56.100 -0.091 0.000 1.072 21 R CB 0.067 30.328 30.300 -0.066 0.000 0.953 21 R HN 0.493 nan 8.270 nan 0.000 0.419 22 S N 1.729 117.345 115.700 -0.139 0.000 2.561 22 S HA 0.201 4.671 4.470 -0.000 0.000 0.303 22 S C 0.103 174.610 174.600 -0.155 0.000 1.110 22 S CA -0.587 57.523 58.200 -0.150 0.000 1.034 22 S CB 1.515 64.611 63.200 -0.174 0.000 1.010 22 S HN 0.737 nan 8.310 nan 0.000 0.482 23 T N 1.288 115.731 114.554 -0.185 0.000 3.214 23 T HA 0.303 4.653 4.350 -0.000 0.000 0.264 23 T C 0.579 175.213 174.700 -0.109 0.000 1.012 23 T CA -0.496 61.469 62.100 -0.226 0.000 0.901 23 T CB -0.203 68.384 68.868 -0.468 0.000 1.070 23 T HN 0.594 nan 8.240 nan 0.000 0.561 24 R N 1.362 121.816 120.500 -0.077 0.000 2.502 24 R HA 0.276 4.616 4.340 -0.000 0.000 0.292 24 R C 1.319 177.619 176.300 -0.000 0.000 0.998 24 R CA 1.407 57.486 56.100 -0.036 0.000 1.056 24 R CB -0.542 29.735 30.300 -0.039 0.000 0.939 24 R HN 0.625 nan 8.270 nan 0.000 0.411 25 G N 3.211 112.020 108.800 0.015 0.000 2.203 25 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.263 25 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.263 25 G C -0.216 174.718 174.900 0.056 0.000 1.012 25 G CA 0.423 45.546 45.100 0.038 0.000 0.749 25 G HN 0.651 nan 8.290 nan 0.000 0.512 26 Q N -1.170 118.657 119.800 0.046 0.000 2.345 26 Q HA 0.674 5.014 4.340 -0.000 0.000 0.268 26 Q C -0.613 175.438 176.000 0.084 0.000 1.054 26 Q CA -0.895 54.951 55.803 0.071 0.000 0.835 26 Q CB 3.110 31.885 28.738 0.062 0.000 1.339 26 Q HN 0.291 nan 8.270 nan 0.000 0.447 27 V N 1.953 121.906 119.914 0.066 0.000 2.483 27 V HA 0.390 4.510 4.120 -0.000 0.000 0.295 27 V C -0.640 175.423 176.094 -0.052 0.000 1.035 27 V CA -0.609 61.700 62.300 0.015 0.000 0.896 27 V CB 1.660 33.462 31.823 -0.036 0.000 0.986 27 V HN 0.664 nan 8.190 nan 0.000 0.447 28 R N 6.162 126.613 120.500 -0.081 0.000 2.234 28 R HA 0.512 4.851 4.340 -0.000 0.000 0.324 28 R C -1.246 174.821 176.300 -0.387 0.000 1.054 28 R CA -0.411 55.483 56.100 -0.343 0.000 0.912 28 R CB 0.506 30.630 30.300 -0.294 0.000 1.030 28 R HN 0.734 nan 8.270 nan 0.000 0.455 29 L N 7.283 128.147 121.223 -0.598 0.000 2.317 29 L HA 0.422 4.761 4.340 -0.000 0.000 0.281 29 L C -1.373 175.271 176.870 -0.378 0.000 1.024 29 L CA -2.162 52.348 54.840 -0.549 0.000 0.810 29 L CB 2.118 43.697 42.059 -0.801 0.000 1.240 29 L HN 0.545 nan 8.230 nan 0.000 0.427 30 P HA -0.006 nan 4.420 nan 0.000 0.229 30 P C 0.888 178.153 177.300 -0.058 0.000 1.160 30 P CA 1.089 64.136 63.100 -0.089 0.000 0.777 30 P CB 0.645 32.326 31.700 -0.032 0.000 0.814 31 G N -0.050 108.699 108.800 -0.085 0.000 2.531 31 G HA2 0.085 4.045 3.960 -0.000 0.000 0.274 31 G HA3 0.085 4.045 3.960 -0.000 0.000 0.274 31 G C 0.365 175.143 174.900 -0.204 0.000 1.159 31 G CA 0.168 45.067 45.100 -0.335 0.000 0.969 31 G HN 0.722 nan 8.290 nan 0.000 0.554 32 G N -1.255 107.472 108.800 -0.122 0.000 2.548 32 G HA2 0.256 4.216 3.960 -0.000 0.000 0.208 32 G HA3 0.256 4.216 3.960 -0.000 0.000 0.208 32 G C -0.297 174.619 174.900 0.027 0.000 1.308 32 G CA 0.688 45.779 45.100 -0.016 0.000 0.924 32 G HN 1.426 nan 8.290 nan 0.000 0.540 33 E N -0.281 119.972 120.200 0.089 0.000 2.313 33 E HA 0.625 4.975 4.350 -0.000 0.000 0.272 33 E C -0.299 176.470 176.600 0.282 0.000 1.038 33 E CA -0.012 56.464 56.400 0.126 0.000 0.863 33 E CB 1.280 31.011 29.700 0.051 0.000 1.060 33 E HN 0.901 nan 8.360 nan 0.000 0.402 34 F N -0.917 119.034 119.950 0.001 0.000 2.693 34 F HA 0.636 5.163 4.527 -0.000 0.000 0.309 34 F C -1.611 174.157 175.800 -0.053 0.000 1.129 34 F CA -1.452 56.570 58.000 0.036 0.000 0.948 34 F CB 0.674 39.784 39.000 0.182 0.000 1.315 34 F HN 0.366 nan 8.300 nan 0.000 0.447 35 A N 4.596 127.271 122.820 -0.242 0.000 2.310 35 A HA 0.571 4.891 4.320 -0.000 0.000 0.300 35 A C -0.457 176.785 177.584 -0.569 0.000 1.269 35 A CA -0.445 51.349 52.037 -0.406 0.000 0.909 35 A CB 0.003 18.896 19.000 -0.179 0.000 1.144 35 A HN 0.930 nan 8.150 nan 0.000 0.540 36 M N 3.875 122.905 119.600 -0.949 0.000 2.238 36 M HA 0.577 5.056 4.480 -0.000 0.000 0.350 36 M C 0.233 176.260 176.300 -0.454 0.000 1.138 36 M CA 0.769 55.601 55.300 -0.780 0.000 1.040 36 M CB 1.194 33.099 32.600 -1.160 0.000 1.639 36 M HN 1.258 nan 8.290 nan 0.000 0.451 37 G N 3.047 111.814 108.800 -0.054 0.000 2.355 37 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.619 37 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.619 37 G C -1.948 173.047 174.900 0.158 0.000 1.337 37 G CA -0.933 44.288 45.100 0.202 0.000 0.993 37 G HN 0.695 nan 8.290 nan 0.000 0.599 38 D N 0.571 121.083 120.400 0.187 0.000 2.393 38 D HA 0.569 5.209 4.640 -0.000 0.000 0.232 38 D C 1.385 177.707 176.300 0.037 0.000 1.192 38 D CA 0.627 54.708 54.000 0.134 0.000 0.882 38 D CB 0.859 41.745 40.800 0.143 0.000 1.038 38 D HN 0.953 nan 8.370 nan 0.000 0.499 39 A N 3.335 126.103 122.820 -0.087 0.000 2.259 39 A HA -0.055 4.265 4.320 -0.000 0.000 0.212 39 A C 1.004 178.254 177.584 -0.558 0.000 1.178 39 A CA 0.727 52.540 52.037 -0.372 0.000 0.734 39 A CB -0.490 18.163 19.000 -0.579 0.000 0.774 39 A HN 0.593 nan 8.150 nan 0.000 0.481 40 F N -1.744 118.181 119.950 -0.041 0.000 2.784 40 F HA 0.359 4.885 4.527 -0.000 0.000 0.323 40 F C 1.593 177.368 175.800 -0.042 0.000 1.085 40 F CA 0.173 58.142 58.000 -0.052 0.000 1.196 40 F CB 0.138 39.088 39.000 -0.083 0.000 1.053 40 F HN 0.234 nan 8.300 nan 0.000 0.578 41 G N 1.751 110.621 108.800 0.116 0.000 2.350 41 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.298 41 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.298 41 G C 0.458 175.385 174.900 0.044 0.000 1.037 41 G CA 0.458 45.597 45.100 0.064 0.000 1.074 41 G HN 0.518 nan 8.290 nan 0.000 0.511 42 E N -0.713 119.510 120.200 0.039 0.000 2.498 42 E HA 0.324 4.674 4.350 -0.000 0.000 0.203 42 E C 1.677 178.237 176.600 -0.067 0.000 1.013 42 E CA 0.218 56.602 56.400 -0.027 0.000 0.927 42 E CB 0.634 30.299 29.700 -0.059 0.000 1.012 42 E HN 0.593 nan 8.360 nan 0.000 0.482 43 G N -0.153 108.631 108.800 -0.025 0.000 2.531 43 G HA2 0.269 4.229 3.960 -0.000 0.000 0.313 43 G HA3 0.269 4.229 3.960 -0.000 0.000 0.313 43 G C -0.937 173.949 174.900 -0.024 0.000 1.238 43 G CA -0.590 44.502 45.100 -0.012 0.000 0.994 43 G HN 0.012 nan 8.290 nan 0.000 0.493 44 Y N 0.995 121.297 120.300 0.003 0.000 2.511 44 Y HA 0.133 4.682 4.550 -0.000 0.000 0.332 44 Y C -0.655 175.255 175.900 0.016 0.000 1.177 44 Y CA -1.023 57.084 58.100 0.010 0.000 1.422 44 Y CB 0.996 39.462 38.460 0.011 0.000 1.271 44 Y HN 0.318 nan 8.280 nan 0.000 0.550 45 P HA -0.317 nan 4.420 nan 0.000 0.217 45 P C 1.014 178.378 177.300 0.107 0.000 1.151 45 P CA 2.328 65.492 63.100 0.106 0.000 0.849 45 P CB 0.023 31.774 31.700 0.085 0.000 0.787 46 A N -0.363 122.540 122.820 0.138 0.000 2.119 46 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 46 A C 1.879 179.558 177.584 0.159 0.000 1.153 46 A CA 1.403 53.501 52.037 0.102 0.000 0.692 46 A CB -0.936 18.087 19.000 0.038 0.000 0.799 46 A HN 0.093 nan 8.150 nan 0.000 0.458 47 D N -0.130 120.373 120.400 0.172 0.000 2.178 47 D HA 0.032 4.672 4.640 -0.000 0.000 0.202 47 D C 1.465 177.872 176.300 0.178 0.000 0.974 47 D CA 1.397 55.528 54.000 0.218 0.000 0.841 47 D CB -0.401 40.499 40.800 0.166 0.000 0.953 47 D HN 0.606 nan 8.370 nan 0.000 0.478 48 G N 1.529 110.342 108.800 0.021 0.000 2.272 48 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.280 48 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.280 48 G C 0.488 175.157 174.900 -0.385 0.000 1.067 48 G CA 0.367 45.362 45.100 -0.174 0.000 0.902 48 G HN 0.360 nan 8.290 nan 0.000 0.500 49 E N -0.432 119.681 120.200 -0.146 0.000 2.502 49 E HA 0.137 4.487 4.350 -0.000 0.000 0.194 49 E C 1.387 178.099 176.600 0.186 0.000 1.062 49 E CA 0.933 57.316 56.400 -0.028 0.000 0.867 49 E CB 0.259 30.018 29.700 0.099 0.000 0.888 49 E HN 0.736 nan 8.360 nan 0.000 0.510 50 T N -1.229 113.392 114.554 0.112 0.000 2.916 50 T HA 0.457 4.806 4.350 -0.000 0.000 0.292 50 T C -2.786 172.008 174.700 0.156 0.000 1.055 50 T CA -2.299 59.915 62.100 0.189 0.000 1.009 50 T CB 2.092 71.014 68.868 0.089 0.000 1.118 50 T HN -0.256 nan 8.240 nan 0.000 0.497 51 P HA 0.314 nan 4.420 nan 0.000 0.277 51 P C -0.202 177.232 177.300 0.223 0.000 1.240 51 P CA -0.494 62.681 63.100 0.125 0.000 0.798 51 P CB 0.549 32.275 31.700 0.042 0.000 0.979 52 V N 4.489 124.477 119.914 0.123 0.000 2.557 52 V HA 0.017 4.137 4.120 -0.000 0.000 0.301 52 V C 0.807 176.924 176.094 0.038 0.000 1.026 52 V CA 0.774 63.100 62.300 0.044 0.000 1.137 52 V CB -1.222 30.574 31.823 -0.046 0.000 0.917 52 V HN 0.779 nan 8.190 nan 0.000 0.484 53 H N 1.547 120.476 119.070 -0.235 0.000 2.851 53 H HA 0.451 5.007 4.556 -0.000 0.000 0.372 53 H C -0.667 174.468 175.328 -0.323 0.000 1.158 53 H CA -1.035 54.864 56.048 -0.249 0.000 1.159 53 H CB 1.360 30.969 29.762 -0.256 0.000 1.757 53 H HN 0.412 nan 8.280 nan 0.000 0.546 54 T N 2.509 116.911 114.554 -0.253 0.000 2.794 54 T HA 0.347 4.697 4.350 -0.000 0.000 0.296 54 T C 0.174 174.693 174.700 -0.302 0.000 0.949 54 T CA -0.379 61.540 62.100 -0.301 0.000 1.101 54 T CB 0.362 69.138 68.868 -0.153 0.000 0.905 54 T HN 0.343 nan 8.240 nan 0.000 0.516 55 V N 4.446 124.105 119.914 -0.425 0.000 2.540 55 V HA 0.519 4.639 4.120 -0.000 0.000 0.302 55 V C 0.111 176.172 176.094 -0.056 0.000 1.035 55 V CA -1.005 61.145 62.300 -0.250 0.000 0.873 55 V CB 1.950 33.567 31.823 -0.344 0.000 0.992 55 V HN 0.716 nan 8.190 nan 0.000 0.428 56 R N 4.516 125.010 120.500 -0.010 0.000 2.338 56 R HA 0.735 5.075 4.340 -0.000 0.000 0.317 56 R C -1.533 174.767 176.300 -0.001 0.000 0.968 56 R CA -0.508 55.600 56.100 0.014 0.000 0.849 56 R CB 0.998 31.299 30.300 0.001 0.000 1.128 56 R HN 0.692 nan 8.270 nan 0.000 0.448 57 L N 4.211 125.407 121.223 -0.044 0.000 2.334 57 L HA 0.586 4.926 4.340 -0.000 0.000 0.276 57 L C 0.345 177.176 176.870 -0.065 0.000 1.014 57 L CA -1.110 53.669 54.840 -0.101 0.000 0.815 57 L CB 1.988 43.898 42.059 -0.249 0.000 1.268 57 L HN 0.575 nan 8.230 nan 0.000 0.428 58 R N 1.594 122.080 120.500 -0.023 0.000 2.637 58 R HA 0.320 4.660 4.340 -0.000 0.000 0.269 58 R C -2.314 174.040 176.300 0.089 0.000 1.089 58 R CA -1.645 54.467 56.100 0.021 0.000 1.177 58 R CB 0.084 30.405 30.300 0.034 0.000 1.091 58 R HN 0.291 nan 8.270 nan 0.000 0.540 59 P HA -0.048 nan 4.420 nan 0.000 0.266 59 P C -1.102 176.272 177.300 0.124 0.000 1.195 59 P CA 0.532 63.648 63.100 0.026 0.000 0.768 59 P CB 0.315 31.983 31.700 -0.052 0.000 0.838 60 F N -0.546 119.295 119.950 -0.181 0.000 2.686 60 F HA 0.537 5.063 4.527 -0.000 0.000 0.311 60 F C -0.956 174.691 175.800 -0.254 0.000 1.128 60 F CA -1.036 56.876 58.000 -0.148 0.000 0.946 60 F CB 0.989 39.962 39.000 -0.045 0.000 1.336 60 F HN 0.248 nan 8.300 nan 0.000 0.457 61 H N 1.740 120.834 119.070 0.040 0.000 2.502 61 H HA 0.732 5.288 4.556 -0.000 0.000 0.338 61 H C -1.003 174.375 175.328 0.083 0.000 1.155 61 H CA -0.649 55.366 56.048 -0.054 0.000 1.237 61 H CB 2.774 32.540 29.762 0.007 0.000 1.534 61 H HN 0.816 nan 8.280 nan 0.000 0.523 62 I N 1.732 122.374 120.570 0.119 0.000 2.692 62 I HA 0.079 4.249 4.170 -0.000 0.000 0.293 62 I C -0.892 175.297 176.117 0.121 0.000 1.200 62 I CA -0.832 60.575 61.300 0.179 0.000 1.036 62 I CB 2.074 40.204 38.000 0.218 0.000 1.258 62 I HN 0.447 nan 8.210 nan 0.000 0.421 63 D N 5.788 126.273 120.400 0.142 0.000 2.533 63 D HA -0.056 4.583 4.640 -0.000 0.000 0.236 63 D C 1.083 177.451 176.300 0.113 0.000 1.137 63 D CA 0.453 54.523 54.000 0.116 0.000 0.867 63 D CB 0.919 41.787 40.800 0.113 0.000 1.170 63 D HN 0.632 nan 8.370 nan 0.000 0.474 64 E N 0.440 120.719 120.200 0.131 0.000 2.274 64 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 64 E C 0.515 177.297 176.600 0.303 0.000 0.996 64 E CA 0.485 57.016 56.400 0.218 0.000 0.840 64 E CB -0.031 29.841 29.700 0.286 0.000 0.772 64 E HN 0.452 nan 8.360 nan 0.000 0.491 65 T N -2.300 112.352 114.554 0.164 0.000 2.883 65 T HA 0.683 5.033 4.350 -0.000 0.000 0.296 65 T C -0.090 174.639 174.700 0.049 0.000 1.117 65 T CA -0.614 61.552 62.100 0.110 0.000 1.006 65 T CB 1.792 70.647 68.868 -0.022 0.000 1.191 65 T HN 0.220 nan 8.240 nan 0.000 0.508 66 A N 1.263 124.103 122.820 0.033 0.000 2.536 66 A HA 0.499 4.819 4.320 -0.000 0.000 0.234 66 A C 0.582 178.062 177.584 -0.175 0.000 1.076 66 A CA -0.447 51.559 52.037 -0.051 0.000 0.769 66 A CB -0.340 18.652 19.000 -0.013 0.000 1.020 66 A HN 0.997 nan 8.150 nan 0.000 0.508 67 V N 2.362 122.027 119.914 -0.415 0.000 2.585 67 V HA 0.255 4.375 4.120 -0.000 0.000 0.296 67 V C 1.223 177.134 176.094 -0.306 0.000 1.035 67 V CA 0.456 62.456 62.300 -0.500 0.000 1.084 67 V CB 0.424 31.568 31.823 -1.131 0.000 0.953 67 V HN 1.104 nan 8.190 nan 0.000 0.483 68 T N 1.872 116.339 114.554 -0.145 0.000 2.899 68 T HA 0.205 4.555 4.350 -0.000 0.000 0.284 68 T C 1.168 175.895 174.700 0.046 0.000 1.004 68 T CA -0.696 61.386 62.100 -0.031 0.000 1.043 68 T CB 0.737 69.614 68.868 0.014 0.000 1.013 68 T HN 0.522 nan 8.240 nan 0.000 0.518 69 N N 1.058 119.831 118.700 0.121 0.000 2.061 69 N HA -0.178 4.562 4.740 -0.000 0.000 0.193 69 N C 2.242 177.910 175.510 0.264 0.000 1.030 69 N CA 1.719 54.915 53.050 0.243 0.000 0.856 69 N CB -1.015 37.630 38.487 0.264 0.000 1.023 69 N HN 0.852 nan 8.380 nan 0.000 0.424 70 A N 1.755 124.690 122.820 0.192 0.000 1.883 70 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 70 A C 2.295 179.997 177.584 0.197 0.000 1.186 70 A CA 1.296 53.441 52.037 0.181 0.000 0.624 70 A CB -0.276 18.801 19.000 0.129 0.000 0.822 70 A HN 0.114 nan 8.150 nan 0.000 0.444 71 R N -1.714 118.901 120.500 0.191 0.000 2.075 71 R HA -0.021 4.319 4.340 -0.000 0.000 0.232 71 R C 1.893 178.401 176.300 0.347 0.000 1.126 71 R CA 1.266 57.532 56.100 0.278 0.000 0.963 71 R CB -1.306 29.144 30.300 0.249 0.000 0.858 71 R HN 0.616 nan 8.270 nan 0.000 0.435 72 F N 1.342 121.311 119.950 0.032 0.000 2.216 72 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 72 F C 2.138 177.824 175.800 -0.189 0.000 1.085 72 F CA 1.206 59.164 58.000 -0.069 0.000 1.326 72 F CB -0.142 38.666 39.000 -0.319 0.000 1.027 72 F HN 0.053 nan 8.300 nan 0.000 0.497 73 A N 0.018 122.854 122.820 0.028 0.000 1.930 73 A HA -0.036 4.283 4.320 -0.000 0.000 0.217 73 A C 2.382 179.973 177.584 0.011 0.000 1.175 73 A CA 1.501 53.608 52.037 0.117 0.000 0.627 73 A CB -1.395 17.841 19.000 0.393 0.000 0.815 73 A HN 0.416 nan 8.150 nan 0.000 0.443 74 A N -0.867 121.975 122.820 0.038 0.000 1.902 74 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 74 A C 2.007 179.363 177.584 -0.381 0.000 1.181 74 A CA 1.598 53.639 52.037 0.007 0.000 0.623 74 A CB -0.740 18.399 19.000 0.232 0.000 0.818 74 A HN 0.762 nan 8.150 nan 0.000 0.443 75 F N 1.087 120.516 119.950 -0.868 0.000 2.095 75 F HA -0.180 4.346 4.527 -0.000 0.000 0.298 75 F C 2.123 177.293 175.800 -1.050 0.000 1.104 75 F CA 2.093 59.099 58.000 -1.655 0.000 1.232 75 F CB -0.617 37.699 39.000 -1.141 0.000 0.987 75 F HN 0.023 nan 8.300 nan 0.000 0.475 76 V N 0.977 120.284 119.914 -1.013 0.000 2.358 76 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 76 V C 2.536 178.373 176.094 -0.429 0.000 1.047 76 V CA 2.204 64.052 62.300 -0.752 0.000 1.035 76 V CB -0.883 30.785 31.823 -0.259 0.000 0.658 76 V HN 0.366 nan 8.190 nan 0.000 0.452 77 K N 0.499 120.739 120.400 -0.267 0.000 2.074 77 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 77 K C 2.069 178.563 176.600 -0.176 0.000 1.048 77 K CA 1.791 57.996 56.287 -0.137 0.000 0.926 77 K CB -0.290 32.183 32.500 -0.045 0.000 0.713 77 K HN 0.448 nan 8.250 nan 0.000 0.444 78 A N 0.016 122.663 122.820 -0.288 0.000 1.970 78 A HA -0.072 4.247 4.320 -0.000 0.000 0.216 78 A C 1.978 179.427 177.584 -0.226 0.000 1.170 78 A CA 1.772 53.697 52.037 -0.188 0.000 0.645 78 A CB -0.347 18.605 19.000 -0.079 0.000 0.816 78 A HN 0.605 nan 8.150 nan 0.000 0.447 79 T N -6.012 108.285 114.554 -0.428 0.000 2.978 79 T HA 0.413 4.762 4.350 -0.000 0.000 0.248 79 T C 1.440 175.991 174.700 -0.249 0.000 1.018 79 T CA 1.151 63.039 62.100 -0.353 0.000 1.026 79 T CB 0.145 68.668 68.868 -0.575 0.000 1.032 79 T HN 1.643 nan 8.240 nan 0.000 0.485 80 G N 1.575 110.214 108.800 -0.267 0.000 2.153 80 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.252 80 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.252 80 G C -0.067 174.744 174.900 -0.148 0.000 0.994 80 G CA 0.363 45.368 45.100 -0.159 0.000 0.698 80 G HN 1.064 nan 8.290 nan 0.000 0.521 81 H N -0.106 118.741 119.070 -0.371 0.000 3.070 81 H HA 0.389 4.945 4.556 -0.000 0.000 0.313 81 H C 0.297 175.583 175.328 -0.071 0.000 0.997 81 H CA 0.714 56.595 56.048 -0.278 0.000 1.438 81 H CB 0.610 30.037 29.762 -0.558 0.000 1.455 81 H HN 0.140 nan 8.280 nan 0.000 0.575 82 V N 6.563 126.202 119.914 -0.459 0.000 2.370 82 V HA 0.166 4.286 4.120 -0.000 0.000 0.283 82 V C 0.555 176.480 176.094 -0.283 0.000 1.023 82 V CA -0.331 61.843 62.300 -0.210 0.000 0.857 82 V CB 1.227 32.972 31.823 -0.129 0.000 0.985 82 V HN 1.051 nan 8.190 nan 0.000 0.443 83 T N 0.502 115.131 114.554 0.125 0.000 2.813 83 T HA 0.092 4.441 4.350 -0.000 0.000 0.297 83 T C 0.872 175.683 174.700 0.185 0.000 1.036 83 T CA -0.439 61.836 62.100 0.292 0.000 1.044 83 T CB 0.764 69.950 68.868 0.531 0.000 0.993 83 T HN 0.577 nan 8.240 nan 0.000 0.535 84 D N 0.985 121.509 120.400 0.208 0.000 2.178 84 D HA -0.062 4.578 4.640 -0.000 0.000 0.201 84 D C 2.311 178.733 176.300 0.204 0.000 0.980 84 D CA 1.512 55.611 54.000 0.165 0.000 0.842 84 D CB -0.598 40.281 40.800 0.131 0.000 0.948 84 D HN 0.759 nan 8.370 nan 0.000 0.472 85 A N 1.019 123.985 122.820 0.242 0.000 1.902 85 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 85 A C 2.078 179.780 177.584 0.198 0.000 1.181 85 A CA 1.413 53.603 52.037 0.255 0.000 0.623 85 A CB -0.431 18.736 19.000 0.278 0.000 0.818 85 A HN 0.206 nan 8.150 nan 0.000 0.443 86 E N -0.869 119.416 120.200 0.140 0.000 2.106 86 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 86 E C 2.301 178.923 176.600 0.037 0.000 0.984 86 E CA 0.931 57.340 56.400 0.015 0.000 0.806 86 E CB -0.165 29.509 29.700 -0.042 0.000 0.750 86 E HN 0.581 nan 8.360 nan 0.000 0.458 87 R N 0.242 120.792 120.500 0.083 0.000 2.073 87 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 87 R C 2.112 178.489 176.300 0.127 0.000 1.134 87 R CA 1.286 57.435 56.100 0.081 0.000 0.952 87 R CB -0.252 30.100 30.300 0.086 0.000 0.850 87 R HN 0.175 nan 8.270 nan 0.000 0.433 88 F N 0.011 119.974 119.950 0.022 0.000 2.325 88 F HA 0.098 4.625 4.527 -0.000 0.000 0.299 88 F C 1.428 177.236 175.800 0.014 0.000 1.090 88 F CA 1.683 59.697 58.000 0.023 0.000 1.392 88 F CB 0.194 39.217 39.000 0.039 0.000 1.053 88 F HN 0.374 nan 8.300 nan 0.000 0.521 89 G N -0.066 108.744 108.800 0.017 0.000 2.195 89 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.246 89 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.246 89 G C 0.211 175.098 174.900 -0.022 0.000 0.984 89 G CA 0.392 45.449 45.100 -0.073 0.000 0.633 89 G HN 1.000 nan 8.290 nan 0.000 0.525 90 S N -1.712 114.053 115.700 0.108 0.000 2.588 90 S HA 0.859 5.329 4.470 -0.000 0.000 0.269 90 S C -0.795 173.967 174.600 0.270 0.000 1.157 90 S CA 0.460 58.755 58.200 0.158 0.000 0.824 90 S CB 2.141 65.413 63.200 0.120 0.000 1.126 90 S HN 1.529 nan 8.310 nan 0.000 0.464 91 S N -0.527 115.276 115.700 0.173 0.000 2.671 91 S HA 0.808 5.278 4.470 -0.000 0.000 0.277 91 S C -1.069 173.674 174.600 0.240 0.000 1.165 91 S CA -0.271 58.043 58.200 0.189 0.000 0.822 91 S CB 1.366 64.619 63.200 0.088 0.000 1.150 91 S HN 1.703 nan 8.310 nan 0.000 0.479 92 A N 1.727 124.723 122.820 0.293 0.000 2.354 92 A HA 0.645 4.965 4.320 -0.000 0.000 0.281 92 A C -0.754 177.237 177.584 0.678 0.000 1.174 92 A CA -0.265 51.980 52.037 0.346 0.000 0.828 92 A CB -0.060 18.936 19.000 -0.008 0.000 1.099 92 A HN 0.690 nan 8.150 nan 0.000 0.516 93 V N 3.330 123.671 119.914 0.712 0.000 2.540 93 V HA 0.312 4.432 4.120 -0.000 0.000 0.302 93 V C -0.263 176.196 176.094 0.608 0.000 1.035 93 V CA -0.611 62.114 62.300 0.708 0.000 0.873 93 V CB 1.488 33.580 31.823 0.449 0.000 0.992 93 V HN 0.828 nan 8.190 nan 0.000 0.428 94 F N 4.260 124.375 119.950 0.274 0.000 2.578 94 F HA 0.162 4.689 4.527 -0.000 0.000 0.376 94 F C 1.792 177.632 175.800 0.067 0.000 1.085 94 F CA 0.167 58.115 58.000 -0.088 0.000 1.260 94 F CB 0.508 39.411 39.000 -0.162 0.000 1.095 94 F HN 0.840 nan 8.300 nan 0.000 0.573 95 H N 3.566 122.237 119.070 -0.666 0.000 2.390 95 H HA -0.187 4.369 4.556 -0.000 0.000 0.298 95 H C 1.553 176.753 175.328 -0.213 0.000 1.106 95 H CA 2.148 57.972 56.048 -0.374 0.000 1.297 95 H CB -0.423 29.094 29.762 -0.408 0.000 1.375 95 H HN 0.677 nan 8.280 nan 0.000 0.509 96 L N 1.160 121.861 121.223 -0.869 0.000 2.275 96 L HA -0.053 4.287 4.340 -0.000 0.000 0.215 96 L C 1.891 178.740 176.870 -0.035 0.000 1.119 96 L CA 0.914 55.529 54.840 -0.375 0.000 0.790 96 L CB 0.047 41.985 42.059 -0.203 0.000 0.919 96 L HN 0.531 nan 8.230 nan 0.000 0.443 97 V N -4.699 115.264 119.914 0.082 0.000 3.578 97 V HA 0.198 4.318 4.120 -0.000 0.000 0.290 97 V C 0.910 177.072 176.094 0.113 0.000 1.376 97 V CA -0.470 61.906 62.300 0.127 0.000 1.083 97 V CB -0.002 31.944 31.823 0.206 0.000 0.911 97 V HN -0.065 nan 8.190 nan 0.000 0.433 98 V N 2.559 122.530 119.914 0.095 0.000 2.584 98 V HA 0.399 4.518 4.120 -0.000 0.000 0.303 98 V C 0.920 177.056 176.094 0.070 0.000 1.035 98 V CA 1.168 63.527 62.300 0.099 0.000 1.172 98 V CB 0.283 32.159 31.823 0.088 0.000 0.896 98 V HN 0.730 nan 8.190 nan 0.000 0.486 99 A N 4.956 127.818 122.820 0.070 0.000 2.842 99 A HA 0.833 5.153 4.320 -0.000 0.000 0.339 99 A C 0.011 177.620 177.584 0.040 0.000 1.177 99 A CA 0.204 52.269 52.037 0.046 0.000 0.797 99 A CB 0.585 19.607 19.000 0.037 0.000 1.094 99 A HN 1.367 nan 8.150 nan 0.000 0.474 100 A N 2.369 125.212 122.820 0.038 0.000 2.594 100 A HA 0.910 5.230 4.320 -0.000 0.000 0.295 100 A C -3.194 174.405 177.584 0.026 0.000 1.071 100 A CA -1.386 50.672 52.037 0.034 0.000 0.685 100 A CB 1.014 20.041 19.000 0.045 0.000 1.285 100 A HN 0.402 nan 8.150 nan 0.000 0.405 101 P HA 0.123 nan 4.420 nan 0.000 0.269 101 P C -0.207 177.103 177.300 0.017 0.000 1.209 101 P CA 0.128 63.237 63.100 0.015 0.000 0.776 101 P CB 0.608 32.314 31.700 0.010 0.000 0.876 102 D N 2.191 122.599 120.400 0.014 0.000 2.149 102 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 102 D C 1.947 178.255 176.300 0.013 0.000 1.001 102 D CA 2.239 56.247 54.000 0.014 0.000 0.849 102 D CB -0.655 40.151 40.800 0.010 0.000 0.939 102 D HN 0.483 nan 8.370 nan 0.000 0.449 103 A N 0.539 123.365 122.820 0.009 0.000 2.019 103 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 103 A C 1.612 179.199 177.584 0.006 0.000 1.164 103 A CA 1.450 53.490 52.037 0.005 0.000 0.644 103 A CB -0.168 18.833 19.000 0.001 0.000 0.805 103 A HN 0.031 nan 8.150 nan 0.000 0.449 104 D N -0.604 119.803 120.400 0.012 0.000 2.347 104 D HA 0.061 4.701 4.640 -0.000 0.000 0.213 104 D C 0.288 176.604 176.300 0.027 0.000 0.985 104 D CA 0.324 54.334 54.000 0.017 0.000 0.879 104 D CB -0.029 40.785 40.800 0.022 0.000 0.919 104 D HN 0.152 nan 8.370 nan 0.000 0.526 105 V N 2.507 122.438 119.914 0.030 0.000 2.381 105 V HA -0.046 4.074 4.120 -0.000 0.000 0.257 105 V C 1.381 177.493 176.094 0.031 0.000 1.057 105 V CA -0.060 62.264 62.300 0.039 0.000 1.013 105 V CB 0.828 32.674 31.823 0.038 0.000 1.069 105 V HN 0.004 nan 8.190 nan 0.000 0.484 106 L N 4.410 125.656 121.223 0.038 0.000 2.291 106 L HA 0.324 4.664 4.340 -0.000 0.000 0.214 106 L C 1.271 178.158 176.870 0.029 0.000 1.120 106 L CA 1.809 56.666 54.840 0.028 0.000 0.799 106 L CB -1.001 41.077 42.059 0.033 0.000 0.925 106 L HN 0.949 nan 8.230 nan 0.000 0.446 107 G N -2.155 106.668 108.800 0.037 0.000 2.325 107 G HA2 0.165 4.125 3.960 -0.000 0.000 0.285 107 G HA3 0.165 4.125 3.960 -0.000 0.000 0.285 107 G C -1.239 173.683 174.900 0.036 0.000 1.303 107 G CA -0.158 44.958 45.100 0.027 0.000 0.970 107 G HN 0.131 nan 8.290 nan 0.000 0.490 108 S N -0.910 114.798 115.700 0.012 0.000 2.566 108 S HA 0.804 5.273 4.470 -0.000 0.000 0.298 108 S C 0.431 175.022 174.600 -0.015 0.000 1.083 108 S CA 0.745 58.943 58.200 -0.003 0.000 0.978 108 S CB 1.300 64.469 63.200 -0.052 0.000 1.073 108 S HN 2.241 nan 8.310 nan 0.000 0.491 109 A N 2.496 125.305 122.820 -0.018 0.000 2.492 109 A HA 0.580 4.900 4.320 -0.000 0.000 0.254 109 A C 1.378 178.893 177.584 -0.115 0.000 1.091 109 A CA 0.196 52.202 52.037 -0.050 0.000 0.768 109 A CB -0.335 18.642 19.000 -0.037 0.000 1.028 109 A HN 1.437 nan 8.150 nan 0.000 0.498 110 A N 2.838 125.606 122.820 -0.086 0.000 2.019 110 A HA 0.117 4.437 4.320 -0.000 0.000 0.219 110 A C 2.006 179.520 177.584 -0.115 0.000 1.164 110 A CA 2.040 54.025 52.037 -0.087 0.000 0.644 110 A CB -0.575 18.393 19.000 -0.053 0.000 0.805 110 A HN 1.197 nan 8.150 nan 0.000 0.449 111 G N -1.410 107.311 108.800 -0.132 0.000 2.545 111 G HA2 0.372 4.332 3.960 -0.000 0.000 0.212 111 G HA3 0.372 4.332 3.960 -0.000 0.000 0.212 111 G C 0.593 175.333 174.900 -0.266 0.000 1.144 111 G CA 0.791 45.812 45.100 -0.132 0.000 0.813 111 G HN 0.989 nan 8.290 nan 0.000 0.531 112 A N 0.924 123.482 122.820 -0.436 0.000 2.842 112 A HA 0.653 4.973 4.320 -0.000 0.000 0.339 112 A C -1.506 175.363 177.584 -1.191 0.000 1.177 112 A CA -1.106 50.268 52.037 -1.106 0.000 0.797 112 A CB 1.263 19.900 19.000 -0.604 0.000 1.094 112 A HN 0.051 nan 8.150 nan 0.000 0.474 113 P HA -0.147 nan 4.420 nan 0.000 0.228 113 P C 0.806 177.846 177.300 -0.433 0.000 1.151 113 P CA 0.929 63.740 63.100 -0.482 0.000 0.770 113 P CB -0.231 31.309 31.700 -0.267 0.000 0.786 114 W N -2.617 118.496 121.300 -0.311 0.000 2.800 114 W HA 0.214 4.874 4.660 -0.000 0.000 0.249 114 W C 0.276 176.560 176.519 -0.392 0.000 1.294 114 W CA -0.840 56.141 57.345 -0.605 0.000 1.402 114 W CB -1.495 27.537 29.460 -0.714 0.000 1.126 114 W HN -0.204 nan 8.180 nan 0.000 0.652 115 W N 3.322 124.482 121.300 -0.234 0.000 2.332 115 W HA 0.419 5.079 4.660 -0.000 0.000 0.306 115 W C 0.221 176.718 176.519 -0.036 0.000 1.149 115 W CA -1.246 56.090 57.345 -0.016 0.000 1.271 115 W CB 0.519 29.950 29.460 -0.049 0.000 1.243 115 W HN -0.288 nan 8.180 nan 0.000 0.459 116 I N 1.284 122.049 120.570 0.325 0.000 2.474 116 I HA 0.493 4.663 4.170 -0.000 0.000 0.294 116 I C -0.343 175.913 176.117 0.232 0.000 1.005 116 I CA -1.143 60.277 61.300 0.200 0.000 1.113 116 I CB 1.495 39.566 38.000 0.118 0.000 1.289 116 I HN 0.231 nan 8.210 nan 0.000 0.436 117 N N 5.467 124.267 118.700 0.166 0.000 2.402 117 N HA 0.272 5.012 4.740 -0.000 0.000 0.252 117 N C -0.767 174.824 175.510 0.135 0.000 1.118 117 N CA -0.144 53.005 53.050 0.165 0.000 0.945 117 N CB 1.721 40.297 38.487 0.148 0.000 1.147 117 N HN 0.441 nan 8.380 nan 0.000 0.495 118 V N 2.970 122.971 119.914 0.145 0.000 2.347 118 V HA 0.260 4.380 4.120 -0.000 0.000 0.280 118 V C 0.845 176.986 176.094 0.078 0.000 1.021 118 V CA -0.933 61.431 62.300 0.106 0.000 0.847 118 V CB 1.203 33.096 31.823 0.118 0.000 0.990 118 V HN 0.511 nan 8.190 nan 0.000 0.444 119 R N 3.667 124.197 120.500 0.049 0.000 2.522 119 R HA 0.372 4.712 4.340 -0.000 0.000 0.284 119 R C 1.263 177.583 176.300 0.033 0.000 1.032 119 R CA 1.307 57.422 56.100 0.024 0.000 1.049 119 R CB 0.069 30.367 30.300 -0.003 0.000 0.956 119 R HN 1.113 nan 8.270 nan 0.000 0.422 120 G N 2.038 110.860 108.800 0.037 0.000 2.199 120 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.254 120 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.254 120 G C 0.060 175.056 174.900 0.161 0.000 0.982 120 G CA 0.046 45.188 45.100 0.070 0.000 0.632 120 G HN 0.940 nan 8.290 nan 0.000 0.529 121 A N 1.685 124.547 122.820 0.070 0.000 2.409 121 A HA 0.678 4.998 4.320 -0.000 0.000 0.267 121 A C 0.551 178.062 177.584 -0.122 0.000 1.127 121 A CA 0.887 52.891 52.037 -0.056 0.000 0.795 121 A CB 0.062 18.997 19.000 -0.109 0.000 1.061 121 A HN 1.715 nan 8.150 nan 0.000 0.502 122 H N 0.412 119.319 119.070 -0.273 0.000 2.917 122 H HA 0.146 4.702 4.556 -0.000 0.000 0.269 122 H C 0.772 176.177 175.328 0.128 0.000 1.488 122 H CA -0.219 55.776 56.048 -0.088 0.000 1.173 122 H CB -0.339 29.438 29.762 0.025 0.000 1.868 122 H HN 0.759 nan 8.280 nan 0.000 0.600 123 W N 1.560 122.955 121.300 0.158 0.000 2.321 123 W HA -0.084 4.576 4.660 -0.000 0.000 0.306 123 W C 1.115 177.607 176.519 -0.045 0.000 1.217 123 W CA 1.298 58.705 57.345 0.103 0.000 1.257 123 W CB -0.848 28.669 29.460 0.096 0.000 1.145 123 W HN 0.490 nan 8.180 nan 0.000 0.509 124 R N 0.591 120.416 120.500 -1.124 0.000 2.148 124 R HA 0.016 4.355 4.340 -0.000 0.000 0.223 124 R C 0.874 176.830 176.300 -0.574 0.000 1.088 124 R CA 1.048 56.560 56.100 -0.981 0.000 0.985 124 R CB -0.167 29.536 30.300 -0.995 0.000 0.880 124 R HN 0.087 nan 8.270 nan 0.000 0.451 125 R N 0.431 120.514 120.500 -0.695 0.000 2.585 125 R HA 0.177 4.516 4.340 -0.000 0.000 0.278 125 R C -2.222 173.984 176.300 -0.157 0.000 1.663 125 R CA -1.298 54.603 56.100 -0.332 0.000 1.592 125 R CB 1.432 31.571 30.300 -0.268 0.000 1.200 125 R HN 0.031 nan 8.270 nan 0.000 0.611 126 P HA -0.046 nan 4.420 nan 0.000 0.237 126 P C 0.136 177.635 177.300 0.332 0.000 1.178 126 P CA 0.952 64.225 63.100 0.287 0.000 0.766 126 P CB 0.531 32.389 31.700 0.264 0.000 0.876 127 E N -0.948 119.350 120.200 0.165 0.000 2.562 127 E HA 0.413 4.763 4.350 -0.000 0.000 0.214 127 E C 0.871 177.541 176.600 0.117 0.000 0.979 127 E CA 0.237 56.741 56.400 0.173 0.000 1.002 127 E CB 0.661 30.436 29.700 0.126 0.000 1.048 127 E HN 0.190 nan 8.360 nan 0.000 0.488 128 G N 0.222 109.061 108.800 0.066 0.000 2.353 128 G HA2 0.059 4.019 3.960 -0.000 0.000 0.615 128 G HA3 0.059 4.019 3.960 -0.000 0.000 0.615 128 G C 0.584 175.496 174.900 0.020 0.000 1.280 128 G CA -0.415 44.712 45.100 0.045 0.000 1.000 128 G HN 0.160 nan 8.290 nan 0.000 0.516 129 A N -0.479 122.356 122.820 0.025 0.000 2.024 129 A HA 0.011 4.331 4.320 -0.000 0.000 0.220 129 A C 2.171 179.757 177.584 0.003 0.000 1.164 129 A CA 2.168 54.214 52.037 0.016 0.000 0.643 129 A CB -0.292 18.719 19.000 0.019 0.000 0.806 129 A HN 0.645 nan 8.150 nan 0.000 0.451 130 R N 0.210 120.715 120.500 0.008 0.000 2.313 130 R HA 0.068 4.408 4.340 -0.000 0.000 0.199 130 R C 0.413 176.710 176.300 -0.004 0.000 0.958 130 R CA 0.551 56.652 56.100 0.003 0.000 1.047 130 R CB -0.011 30.294 30.300 0.008 0.000 0.955 130 R HN 0.628 nan 8.270 nan 0.000 0.481 131 S N 0.234 115.928 115.700 -0.010 0.000 2.681 131 S HA 0.481 4.951 4.470 -0.000 0.000 0.299 131 S C -0.613 173.958 174.600 -0.048 0.000 1.113 131 S CA -0.963 57.225 58.200 -0.020 0.000 1.013 131 S CB 2.166 65.365 63.200 -0.003 0.000 1.076 131 S HN 0.190 nan 8.310 nan 0.000 0.534 132 D N -1.170 119.198 120.400 -0.053 0.000 2.664 132 D HA 0.429 5.069 4.640 -0.000 0.000 0.292 132 D C 0.061 176.321 176.300 -0.066 0.000 1.214 132 D CA -0.877 53.080 54.000 -0.073 0.000 0.932 132 D CB 0.421 41.185 40.800 -0.059 0.000 1.420 132 D HN 0.660 nan 8.370 nan 0.000 0.471 133 I N -2.554 117.980 120.570 -0.060 0.000 3.833 133 I HA 0.278 4.448 4.170 -0.000 0.000 0.328 133 I C 0.996 177.103 176.117 -0.018 0.000 1.554 133 I CA -0.354 60.924 61.300 -0.038 0.000 1.116 133 I CB 0.287 38.297 38.000 0.015 0.000 1.182 133 I HN 0.450 nan 8.210 nan 0.000 0.459 134 T N -1.528 113.012 114.554 -0.023 0.000 2.833 134 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 134 T C 1.594 176.290 174.700 -0.007 0.000 1.054 134 T CA 1.425 63.522 62.100 -0.005 0.000 1.135 134 T CB -0.551 68.312 68.868 -0.008 0.000 0.869 134 T HN 0.530 nan 8.240 nan 0.000 0.466 135 G N 0.526 109.306 108.800 -0.034 0.000 3.502 135 G HA2 0.333 4.293 3.960 -0.000 0.000 0.267 135 G HA3 0.333 4.293 3.960 -0.000 0.000 0.267 135 G C 0.717 175.575 174.900 -0.070 0.000 1.090 135 G CA -0.763 44.315 45.100 -0.037 0.000 0.795 135 G HN 0.465 nan 8.290 nan 0.000 0.535 136 R N 0.455 120.905 120.500 -0.083 0.000 2.776 136 R HA 0.182 4.521 4.340 -0.000 0.000 0.391 136 R C -1.638 174.698 176.300 0.059 0.000 1.116 136 R CA -1.157 54.864 56.100 -0.131 0.000 1.056 136 R CB 1.176 31.222 30.300 -0.424 0.000 1.369 136 R HN 0.105 nan 8.270 nan 0.000 0.590 137 P HA -0.105 nan 4.420 nan 0.000 0.221 137 P C 0.089 177.455 177.300 0.110 0.000 1.150 137 P CA 1.141 64.305 63.100 0.106 0.000 0.800 137 P CB 0.308 32.058 31.700 0.082 0.000 0.787 138 N N -1.411 117.359 118.700 0.116 0.000 2.270 138 N HA 0.020 4.760 4.740 -0.000 0.000 0.198 138 N C 0.548 176.076 175.510 0.030 0.000 1.117 138 N CA 0.090 53.169 53.050 0.049 0.000 0.845 138 N CB -0.254 38.225 38.487 -0.013 0.000 0.980 138 N HN 0.406 nan 8.380 nan 0.000 0.486 139 H N 1.391 120.442 119.070 -0.031 0.000 2.551 139 H HA 0.163 4.719 4.556 -0.000 0.000 0.358 139 H C -2.027 173.288 175.328 -0.022 0.000 1.151 139 H CA -1.325 54.700 56.048 -0.037 0.000 1.374 139 H CB 0.998 30.744 29.762 -0.027 0.000 1.473 139 H HN 0.003 nan 8.280 nan 0.000 0.574 140 P HA -0.059 nan 4.420 nan 0.000 0.271 140 P C 0.170 177.505 177.300 0.058 0.000 1.216 140 P CA -0.005 63.107 63.100 0.019 0.000 0.771 140 P CB 0.956 32.670 31.700 0.024 0.000 0.864 141 V N 4.997 124.907 119.914 -0.007 0.000 2.673 141 V HA 0.081 4.201 4.120 -0.000 0.000 0.303 141 V C 0.551 176.665 176.094 0.034 0.000 1.046 141 V CA 0.494 62.791 62.300 -0.005 0.000 1.126 141 V CB 0.604 32.295 31.823 -0.219 0.000 0.934 141 V HN 0.471 nan 8.190 nan 0.000 0.487 142 V N 4.047 124.021 119.914 0.100 0.000 3.145 142 V HA 0.671 4.791 4.120 -0.000 0.000 0.311 142 V C 0.462 176.665 176.094 0.183 0.000 1.238 142 V CA -0.644 61.718 62.300 0.103 0.000 1.066 142 V CB 1.513 33.361 31.823 0.042 0.000 1.144 142 V HN 0.944 nan 8.190 nan 0.000 0.465 143 H N -1.262 117.953 119.070 0.241 0.000 2.820 143 H HA -0.124 4.432 4.556 -0.000 0.000 0.295 143 H C -0.044 175.437 175.328 0.255 0.000 1.187 143 H CA 0.993 57.195 56.048 0.256 0.000 1.144 143 H CB -1.583 28.348 29.762 0.281 0.000 1.354 143 H HN 1.058 nan 8.280 nan 0.000 0.395 144 V N -0.765 119.329 119.914 0.301 0.000 2.398 144 V HA 0.649 4.769 4.120 -0.000 0.000 0.286 144 V C 0.949 177.253 176.094 0.349 0.000 1.026 144 V CA -0.289 62.154 62.300 0.238 0.000 0.868 144 V CB 2.132 33.991 31.823 0.061 0.000 0.982 144 V HN 0.383 nan 8.190 nan 0.000 0.443 145 S N 3.522 119.342 115.700 0.200 0.000 2.641 145 S HA 0.227 4.697 4.470 -0.000 0.000 0.261 145 S C 0.521 174.776 174.600 -0.576 0.000 1.257 145 S CA 0.059 58.286 58.200 0.045 0.000 0.983 145 S CB 0.661 63.878 63.200 0.028 0.000 0.990 145 S HN 1.037 nan 8.310 nan 0.000 0.572 146 W N 1.500 121.880 121.300 -1.534 0.000 2.363 146 W HA -0.103 4.557 4.660 -0.000 0.000 0.296 146 W C 1.829 177.903 176.519 -0.741 0.000 1.212 146 W CA 1.745 58.123 57.345 -1.612 0.000 1.260 146 W CB -0.473 28.041 29.460 -1.577 0.000 1.131 146 W HN 0.708 nan 8.180 nan 0.000 0.530 147 N N 0.548 119.123 118.700 -0.209 0.000 2.120 147 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 147 N C 1.134 176.532 175.510 -0.186 0.000 1.024 147 N CA 1.946 54.923 53.050 -0.122 0.000 0.852 147 N CB -0.845 37.680 38.487 0.063 0.000 1.003 147 N HN 0.255 nan 8.380 nan 0.000 0.424 148 D N 1.080 121.407 120.400 -0.121 0.000 2.117 148 D HA -0.029 4.611 4.640 -0.000 0.000 0.198 148 D C 1.882 177.969 176.300 -0.356 0.000 0.982 148 D CA 0.946 54.937 54.000 -0.015 0.000 0.828 148 D CB -0.289 40.642 40.800 0.217 0.000 0.967 148 D HN 0.198 nan 8.370 nan 0.000 0.464 149 A N 0.901 123.278 122.820 -0.737 0.000 1.902 149 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 149 A C 2.389 179.439 177.584 -0.890 0.000 1.181 149 A CA 2.689 53.890 52.037 -1.395 0.000 0.623 149 A CB -1.002 17.111 19.000 -1.479 0.000 0.818 149 A HN 0.399 nan 8.150 nan 0.000 0.443 150 T N -2.411 111.638 114.554 -0.841 0.000 2.857 150 T HA 0.175 4.525 4.350 -0.000 0.000 0.266 150 T C 1.962 176.411 174.700 -0.418 0.000 1.048 150 T CA 1.427 63.116 62.100 -0.686 0.000 1.139 150 T CB -0.517 67.754 68.868 -0.996 0.000 0.874 150 T HN 0.525 nan 8.240 nan 0.000 0.455 151 A N 0.622 123.217 122.820 -0.375 0.000 1.898 151 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 151 A C 2.153 179.435 177.584 -0.503 0.000 1.181 151 A CA 1.491 53.372 52.037 -0.259 0.000 0.620 151 A CB -1.275 17.653 19.000 -0.120 0.000 0.819 151 A HN 0.630 nan 8.150 nan 0.000 0.442 152 Y N 0.743 120.465 120.300 -0.964 0.000 2.097 152 Y HA -0.168 4.382 4.550 -0.000 0.000 0.282 152 Y C 2.643 178.296 175.900 -0.412 0.000 1.152 152 Y CA 1.658 58.986 58.100 -1.286 0.000 1.136 152 Y CB -0.553 37.515 38.460 -0.653 0.000 0.975 152 Y HN 0.314 nan 8.280 nan 0.000 0.498 153 A N 0.813 123.558 122.820 -0.124 0.000 1.883 153 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 153 A C 2.295 179.783 177.584 -0.160 0.000 1.186 153 A CA 2.052 54.061 52.037 -0.046 0.000 0.624 153 A CB -0.791 18.225 19.000 0.025 0.000 0.822 153 A HN 0.578 nan 8.150 nan 0.000 0.444 154 R N -2.111 118.297 120.500 -0.152 0.000 2.096 154 R HA -0.248 4.091 4.340 -0.000 0.000 0.240 154 R C 2.062 178.318 176.300 -0.073 0.000 1.139 154 R CA 1.905 57.948 56.100 -0.094 0.000 0.952 154 R CB -0.514 29.753 30.300 -0.056 0.000 0.854 154 R HN 0.818 nan 8.270 nan 0.000 0.436 155 W N 1.145 122.290 121.300 -0.258 0.000 2.358 155 W HA -0.147 4.513 4.660 -0.000 0.000 0.303 155 W C 1.930 178.292 176.519 -0.261 0.000 1.208 155 W CA 1.570 58.799 57.345 -0.194 0.000 1.274 155 W CB -0.218 29.203 29.460 -0.065 0.000 1.138 155 W HN 0.072 nan 8.180 nan 0.000 0.515 156 A N 0.306 122.808 122.820 -0.530 0.000 2.235 156 A HA 0.308 4.627 4.320 -0.000 0.000 0.208 156 A C 1.708 179.028 177.584 -0.439 0.000 1.172 156 A CA 1.093 52.709 52.037 -0.703 0.000 0.786 156 A CB -1.329 17.343 19.000 -0.546 0.000 0.804 156 A HN 1.016 nan 8.150 nan 0.000 0.479 157 G N -0.724 107.884 108.800 -0.320 0.000 2.225 157 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.264 157 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.264 157 G C 0.063 174.888 174.900 -0.126 0.000 1.060 157 G CA 0.873 45.852 45.100 -0.203 0.000 0.833 157 G HN 0.650 nan 8.290 nan 0.000 0.498 158 K N -1.302 119.042 120.400 -0.094 0.000 2.137 158 K HA 0.847 5.167 4.320 -0.000 0.000 0.251 158 K C 0.427 177.031 176.600 0.006 0.000 1.048 158 K CA -0.918 55.359 56.287 -0.017 0.000 0.873 158 K CB 1.396 33.915 32.500 0.031 0.000 1.442 158 K HN 0.492 nan 8.250 nan 0.000 0.467 159 R N -0.501 120.034 120.500 0.058 0.000 2.766 159 R HA 0.498 4.837 4.340 -0.000 0.000 0.270 159 R C -1.255 175.107 176.300 0.103 0.000 1.035 159 R CA -0.982 55.147 56.100 0.047 0.000 0.911 159 R CB 0.391 30.723 30.300 0.053 0.000 1.243 159 R HN 0.294 nan 8.270 nan 0.000 0.460 160 L N 1.637 122.902 121.223 0.070 0.000 2.418 160 L HA 0.495 4.835 4.340 -0.000 0.000 0.265 160 L C -1.847 175.130 176.870 0.179 0.000 1.143 160 L CA -2.210 52.718 54.840 0.147 0.000 0.809 160 L CB 0.955 43.063 42.059 0.081 0.000 1.124 160 L HN 0.499 nan 8.230 nan 0.000 0.456 161 P HA 0.084 nan 4.420 nan 0.000 0.274 161 P C -0.478 176.931 177.300 0.180 0.000 1.231 161 P CA -0.388 62.840 63.100 0.213 0.000 0.790 161 P CB 0.676 32.579 31.700 0.339 0.000 0.951 162 T N -1.900 112.691 114.554 0.061 0.000 2.748 162 T HA 0.029 4.379 4.350 -0.000 0.000 0.304 162 T C 1.275 176.076 174.700 0.169 0.000 1.041 162 T CA -0.246 61.888 62.100 0.057 0.000 1.033 162 T CB 0.571 69.363 68.868 -0.126 0.000 0.995 162 T HN 0.544 nan 8.240 nan 0.000 0.536 163 E N 0.653 120.973 120.200 0.200 0.000 2.051 163 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 163 E C 2.357 179.166 176.600 0.347 0.000 0.991 163 E CA 1.152 57.726 56.400 0.290 0.000 0.799 163 E CB -0.617 29.258 29.700 0.292 0.000 0.748 163 E HN 0.808 nan 8.360 nan 0.000 0.449 164 A N 1.032 124.013 122.820 0.268 0.000 1.908 164 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 164 A C 1.956 179.656 177.584 0.193 0.000 1.181 164 A CA 1.821 54.042 52.037 0.306 0.000 0.627 164 A CB -0.599 18.537 19.000 0.228 0.000 0.818 164 A HN 0.358 nan 8.150 nan 0.000 0.445 165 E N -1.767 118.419 120.200 -0.024 0.000 2.085 165 E HA -0.248 4.101 4.350 -0.000 0.000 0.194 165 E C 1.746 178.438 176.600 0.154 0.000 0.994 165 E CA 1.327 57.577 56.400 -0.250 0.000 0.801 165 E CB -0.240 29.073 29.700 -0.646 0.000 0.743 165 E HN 0.837 nan 8.360 nan 0.000 0.453 166 W N 1.880 123.243 121.300 0.105 0.000 2.333 166 W HA -0.219 4.441 4.660 -0.000 0.000 0.316 166 W C 2.283 178.906 176.519 0.174 0.000 1.215 166 W CA 1.954 59.406 57.345 0.179 0.000 1.278 166 W CB 0.023 29.601 29.460 0.195 0.000 1.154 166 W HN 0.041 nan 8.180 nan 0.000 0.486 167 E N -1.164 119.380 120.200 0.573 0.000 2.047 167 E HA -0.334 4.015 4.350 -0.000 0.000 0.191 167 E C 2.157 178.814 176.600 0.094 0.000 0.987 167 E CA 1.586 58.255 56.400 0.449 0.000 0.799 167 E CB -0.780 29.258 29.700 0.563 0.000 0.752 167 E HN 0.429 nan 8.360 nan 0.000 0.449 168 Y N 0.974 121.073 120.300 -0.335 0.000 2.081 168 Y HA -0.306 4.244 4.550 -0.000 0.000 0.280 168 Y C 2.056 177.856 175.900 -0.166 0.000 1.163 168 Y CA 2.174 59.842 58.100 -0.721 0.000 1.135 168 Y CB -0.726 37.125 38.460 -1.015 0.000 0.970 168 Y HN 0.123 nan 8.280 nan 0.000 0.498 169 A N 0.736 123.508 122.820 -0.079 0.000 1.883 169 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 169 A C 2.448 179.928 177.584 -0.174 0.000 1.186 169 A CA 2.322 54.299 52.037 -0.099 0.000 0.624 169 A CB -1.642 17.357 19.000 -0.003 0.000 0.822 169 A HN 0.703 nan 8.150 nan 0.000 0.444 170 A N -0.481 122.130 122.820 -0.349 0.000 1.930 170 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 170 A C 2.177 179.624 177.584 -0.229 0.000 1.175 170 A CA 1.356 53.159 52.037 -0.390 0.000 0.627 170 A CB -0.451 18.167 19.000 -0.637 0.000 0.815 170 A HN 0.543 nan 8.150 nan 0.000 0.443 171 R N -1.255 119.126 120.500 -0.198 0.000 2.241 171 R HA 0.001 4.340 4.340 -0.000 0.000 0.224 171 R C 1.423 177.531 176.300 -0.321 0.000 1.101 171 R CA 0.595 56.585 56.100 -0.184 0.000 0.995 171 R CB -0.407 29.837 30.300 -0.094 0.000 0.870 171 R HN 0.726 nan 8.270 nan 0.000 0.463 172 G N -0.313 108.168 108.800 -0.532 0.000 2.203 172 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.263 172 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.263 172 G C 0.744 175.047 174.900 -0.995 0.000 1.012 172 G CA 0.582 45.169 45.100 -0.855 0.000 0.749 172 G HN 0.627 nan 8.290 nan 0.000 0.512 173 G N -2.047 106.216 108.800 -0.895 0.000 2.175 173 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 173 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 173 G C 0.379 175.158 174.900 -0.202 0.000 0.982 173 G CA 0.496 45.331 45.100 -0.442 0.000 0.641 173 G HN 1.325 nan 8.290 nan 0.000 0.527 174 L N 0.801 121.909 121.223 -0.191 0.000 2.343 174 L HA 0.760 5.100 4.340 -0.000 0.000 0.275 174 L C 0.780 177.628 176.870 -0.038 0.000 1.056 174 L CA -0.462 54.323 54.840 -0.091 0.000 0.804 174 L CB 1.741 43.749 42.059 -0.085 0.000 1.203 174 L HN 0.275 nan 8.230 nan 0.000 0.440 175 A N 1.140 123.956 122.820 -0.006 0.000 2.292 175 A HA 0.579 4.898 4.320 -0.000 0.000 0.319 175 A C 0.864 178.453 177.584 0.007 0.000 1.206 175 A CA 0.175 52.225 52.037 0.022 0.000 0.835 175 A CB 0.820 19.833 19.000 0.022 0.000 1.164 175 A HN 1.040 nan 8.150 nan 0.000 0.505 176 G N 1.815 110.623 108.800 0.013 0.000 2.258 176 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.274 176 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.274 176 G C 0.343 175.263 174.900 0.033 0.000 1.021 176 G CA 0.395 45.481 45.100 -0.023 0.000 0.798 176 G HN 0.744 nan 8.290 nan 0.000 0.507 177 R N -0.732 119.802 120.500 0.056 0.000 2.577 177 R HA 0.431 4.771 4.340 -0.000 0.000 0.269 177 R C 1.591 177.938 176.300 0.078 0.000 1.084 177 R CA -0.526 55.617 56.100 0.073 0.000 1.163 177 R CB 0.260 30.536 30.300 -0.041 0.000 1.100 177 R HN 0.376 nan 8.270 nan 0.000 0.547 178 R N 0.053 120.477 120.500 -0.127 0.000 2.073 178 R HA -0.026 4.313 4.340 -0.000 0.000 0.229 178 R C -0.083 175.730 176.300 -0.812 0.000 1.120 178 R CA 1.415 57.165 56.100 -0.584 0.000 0.967 178 R CB 0.246 29.860 30.300 -1.143 0.000 0.862 178 R HN 0.452 nan 8.270 nan 0.000 0.436 179 Y N -2.382 117.664 120.300 -0.425 0.000 2.659 179 Y HA 0.465 5.015 4.550 -0.000 0.000 0.333 179 Y C 0.998 176.477 175.900 -0.701 0.000 1.064 179 Y CA -0.600 57.055 58.100 -0.742 0.000 1.141 179 Y CB 0.951 38.498 38.460 -1.521 0.000 1.316 179 Y HN -0.111 nan 8.280 nan 0.000 0.509 180 A N 0.316 122.820 122.820 -0.525 0.000 1.986 180 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 180 A C 1.350 178.868 177.584 -0.110 0.000 1.171 180 A CA 2.257 54.168 52.037 -0.211 0.000 0.640 180 A CB -1.087 17.926 19.000 0.021 0.000 0.811 180 A HN 0.979 nan 8.150 nan 0.000 0.451 181 W N -2.911 118.405 121.300 0.026 0.000 3.103 181 W HA 0.525 5.185 4.660 -0.000 0.000 0.325 181 W C 0.607 177.130 176.519 0.008 0.000 1.170 181 W CA 0.037 57.369 57.345 -0.020 0.000 1.712 181 W CB -0.275 29.158 29.460 -0.045 0.000 1.068 181 W HN 0.581 nan 8.180 nan 0.000 0.592 182 G N 0.558 109.243 108.800 -0.192 0.000 2.302 182 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.264 182 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.264 182 G C -0.564 174.283 174.900 -0.088 0.000 1.335 182 G CA 0.067 45.139 45.100 -0.046 0.000 0.982 182 G HN -0.095 nan 8.290 nan 0.000 0.473 183 D N 0.623 121.040 120.400 0.027 0.000 2.355 183 D HA 0.169 4.809 4.640 -0.000 0.000 0.206 183 D C 0.629 177.012 176.300 0.138 0.000 1.010 183 D CA 0.683 54.677 54.000 -0.010 0.000 0.875 183 D CB 0.547 41.338 40.800 -0.015 0.000 0.966 183 D HN 0.497 nan 8.370 nan 0.000 0.512 184 E N 0.783 121.115 120.200 0.219 0.000 2.227 184 E HA 0.124 4.474 4.350 -0.000 0.000 0.282 184 E C 0.692 177.471 176.600 0.298 0.000 1.015 184 E CA -0.453 56.074 56.400 0.212 0.000 0.823 184 E CB 2.358 32.120 29.700 0.103 0.000 1.081 184 E HN -0.118 nan 8.360 nan 0.000 0.396 185 L N 3.264 124.544 121.223 0.095 0.000 2.017 185 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 185 L C 1.120 177.827 176.870 -0.271 0.000 1.073 185 L CA 1.941 56.656 54.840 -0.208 0.000 0.745 185 L CB -0.041 41.868 42.059 -0.250 0.000 0.894 185 L HN 0.648 nan 8.230 nan 0.000 0.432 186 T N -1.710 112.611 114.554 -0.388 0.000 3.250 186 T HA 0.519 4.869 4.350 -0.000 0.000 0.391 186 T C -2.623 171.889 174.700 -0.314 0.000 1.502 186 T CA -1.877 59.887 62.100 -0.559 0.000 1.320 186 T CB 0.505 68.813 68.868 -0.933 0.000 1.102 186 T HN -0.009 nan 8.240 nan 0.000 0.610 187 P HA 0.376 nan 4.420 nan 0.000 0.276 187 P C 1.207 178.421 177.300 -0.143 0.000 1.235 187 P CA 0.602 63.632 63.100 -0.116 0.000 0.772 187 P CB 0.487 32.158 31.700 -0.048 0.000 0.871 188 G N 2.624 111.362 108.800 -0.103 0.000 2.187 188 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.261 188 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.261 188 G C 0.924 175.755 174.900 -0.115 0.000 1.000 188 G CA 0.690 45.734 45.100 -0.092 0.000 0.718 188 G HN 1.084 nan 8.290 nan 0.000 0.519 189 G N -1.730 106.970 108.800 -0.167 0.000 2.176 189 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.253 189 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.253 189 G C 0.383 175.137 174.900 -0.243 0.000 0.979 189 G CA 0.924 45.908 45.100 -0.193 0.000 0.641 189 G HN 1.026 nan 8.290 nan 0.000 0.530 190 R N -0.749 119.605 120.500 -0.243 0.000 2.297 190 R HA 0.449 4.789 4.340 -0.000 0.000 0.308 190 R C -0.290 175.821 176.300 -0.315 0.000 1.029 190 R CA -0.738 55.248 56.100 -0.190 0.000 0.929 190 R CB 0.700 30.927 30.300 -0.121 0.000 1.046 190 R HN 0.245 nan 8.270 nan 0.000 0.461 191 W N 2.608 123.823 121.300 -0.142 0.000 2.216 191 W HA 0.154 4.814 4.660 -0.000 0.000 0.326 191 W C 1.181 177.484 176.519 -0.360 0.000 1.319 191 W CA -0.079 57.127 57.345 -0.231 0.000 1.213 191 W CB 0.656 30.045 29.460 -0.118 0.000 1.171 191 W HN 0.408 nan 8.180 nan 0.000 0.557 192 R N 2.495 122.706 120.500 -0.481 0.000 2.476 192 R HA 0.229 4.569 4.340 -0.000 0.000 0.276 192 R C -0.346 175.291 176.300 -1.105 0.000 0.941 192 R CA -0.027 55.568 56.100 -0.840 0.000 1.088 192 R CB -0.045 29.423 30.300 -1.386 0.000 1.216 192 R HN 0.502 nan 8.270 nan 0.000 0.533 193 C N -1.559 117.088 119.300 -1.089 0.000 3.285 193 C HA 0.450 4.910 4.460 -0.000 0.000 0.325 193 C C -1.065 173.555 174.990 -0.617 0.000 1.304 193 C CA -1.510 56.977 59.018 -0.887 0.000 1.319 193 C CB 1.453 29.062 27.740 -0.219 0.000 1.640 193 C HN 0.166 nan 8.230 nan 0.000 0.477 194 N N 1.318 119.883 118.700 -0.224 0.000 2.521 194 N HA 0.613 5.353 4.740 -0.000 0.000 0.236 194 N C -0.196 175.298 175.510 -0.027 0.000 1.067 194 N CA -0.359 52.702 53.050 0.019 0.000 0.939 194 N CB -0.118 38.483 38.487 0.190 0.000 1.201 194 N HN 0.823 nan 8.380 nan 0.000 0.511 195 I N -1.519 118.962 120.570 -0.148 0.000 3.971 195 I HA 0.694 4.864 4.170 -0.000 0.000 0.253 195 I C -0.726 175.375 176.117 -0.026 0.000 1.103 195 I CA -1.098 60.145 61.300 -0.095 0.000 1.343 195 I CB 1.031 38.884 38.000 -0.245 0.000 1.364 195 I HN 0.166 nan 8.210 nan 0.000 0.444 196 W N 1.957 123.173 121.300 -0.141 0.000 2.529 196 W HA 0.581 5.241 4.660 -0.000 0.000 0.321 196 W C -1.694 174.834 176.519 0.016 0.000 1.047 196 W CA -0.304 57.014 57.345 -0.044 0.000 1.216 196 W CB 1.912 31.413 29.460 0.070 0.000 1.357 196 W HN 0.560 nan 8.180 nan 0.000 0.489 197 Q N 2.797 122.481 119.800 -0.193 0.000 2.377 197 Q HA 0.763 5.102 4.340 -0.000 0.000 0.271 197 Q C 0.222 176.155 176.000 -0.111 0.000 1.077 197 Q CA 0.074 55.887 55.803 0.017 0.000 0.820 197 Q CB 2.171 30.821 28.738 -0.147 0.000 1.347 197 Q HN 0.835 nan 8.270 nan 0.000 0.444 198 G N 0.753 109.640 108.800 0.145 0.000 2.549 198 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.404 198 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.404 198 G C -1.201 173.795 174.900 0.160 0.000 1.292 198 G CA -0.947 44.223 45.100 0.116 0.000 0.935 198 G HN 0.574 nan 8.290 nan 0.000 0.512 199 R N 0.101 120.715 120.500 0.191 0.000 2.308 199 R HA 0.430 4.770 4.340 -0.000 0.000 0.325 199 R C 0.180 176.586 176.300 0.176 0.000 1.161 199 R CA -0.561 55.619 56.100 0.132 0.000 1.022 199 R CB -0.401 29.982 30.300 0.138 0.000 1.091 199 R HN 0.493 nan 8.270 nan 0.000 0.497 200 F N 6.771 126.557 119.950 -0.273 0.000 2.518 200 F HA 0.182 4.708 4.527 -0.000 0.000 0.359 200 F C -1.446 173.990 175.800 -0.608 0.000 1.118 200 F CA -1.588 55.967 58.000 -0.742 0.000 1.287 200 F CB 1.028 39.300 39.000 -1.213 0.000 1.132 200 F HN 0.475 nan 8.300 nan 0.000 0.587 201 P HA 0.142 nan 4.420 nan 0.000 0.262 201 P C -0.053 176.911 177.300 -0.561 0.000 1.651 201 P CA 0.419 62.444 63.100 -1.793 0.000 1.119 201 P CB 0.067 30.543 31.700 -2.040 0.000 1.552 202 H N -1.107 117.979 119.070 0.028 0.000 2.545 202 H HA 0.253 4.809 4.556 -0.000 0.000 0.283 202 H C 0.344 175.814 175.328 0.237 0.000 0.997 202 H CA 0.495 56.637 56.048 0.155 0.000 1.269 202 H CB 0.915 30.714 29.762 0.061 0.000 1.451 202 H HN -0.070 nan 8.280 nan 0.000 0.508 203 V N 2.808 122.966 119.914 0.406 0.000 2.443 203 V HA 0.197 4.317 4.120 -0.000 0.000 0.293 203 V C -0.221 175.899 176.094 0.043 0.000 1.021 203 V CA -0.998 61.423 62.300 0.202 0.000 0.848 203 V CB 2.087 33.982 31.823 0.120 0.000 0.998 203 V HN 0.238 nan 8.190 nan 0.000 0.424 204 N N 2.735 121.220 118.700 -0.358 0.000 2.444 204 N HA 0.214 4.954 4.740 -0.000 0.000 0.262 204 N C 1.067 176.297 175.510 -0.467 0.000 0.974 204 N CA 0.112 52.629 53.050 -0.888 0.000 0.933 204 N CB 2.188 39.858 38.487 -1.361 0.000 1.137 204 N HN 0.777 nan 8.380 nan 0.000 0.498 205 T N 0.846 115.169 114.554 -0.386 0.000 3.067 205 T HA 0.111 4.461 4.350 -0.000 0.000 0.261 205 T C 0.957 175.510 174.700 -0.245 0.000 1.110 205 T CA 0.531 62.493 62.100 -0.230 0.000 1.113 205 T CB -0.250 68.535 68.868 -0.138 0.000 0.917 205 T HN 0.721 nan 8.240 nan 0.000 0.499 206 A N 1.191 123.806 122.820 -0.340 0.000 2.745 206 A HA -0.240 4.080 4.320 -0.000 0.000 0.296 206 A C 1.133 178.548 177.584 -0.281 0.000 1.500 206 A CA 1.179 53.029 52.037 -0.312 0.000 0.766 206 A CB -2.536 16.314 19.000 -0.250 0.000 1.030 206 A HN 0.712 nan 8.150 nan 0.000 0.489 207 E N -0.183 119.824 120.200 -0.321 0.000 2.153 207 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 207 E C 1.412 177.813 176.600 -0.332 0.000 0.988 207 E CA 1.356 57.610 56.400 -0.243 0.000 0.811 207 E CB -0.145 29.470 29.700 -0.143 0.000 0.746 207 E HN 1.008 nan 8.360 nan 0.000 0.466 208 D N -1.334 118.683 120.400 -0.638 0.000 2.349 208 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 208 D C 1.203 177.460 176.300 -0.072 0.000 1.029 208 D CA 0.776 54.545 54.000 -0.385 0.000 0.879 208 D CB 0.342 40.801 40.800 -0.568 0.000 0.906 208 D HN 0.214 nan 8.370 nan 0.000 0.528 209 G N -0.597 108.068 108.800 -0.225 0.000 2.194 209 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 209 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 209 G C -0.155 174.323 174.900 -0.704 0.000 0.987 209 G CA -0.057 44.800 45.100 -0.404 0.000 0.635 209 G HN 0.549 nan 8.290 nan 0.000 0.520 210 H N -0.612 118.379 119.070 -0.132 0.000 2.877 210 H HA 0.459 5.015 4.556 -0.000 0.000 0.347 210 H C 1.036 176.268 175.328 -0.159 0.000 1.042 210 H CA -0.437 55.536 56.048 -0.125 0.000 1.276 210 H CB 1.704 31.414 29.762 -0.087 0.000 1.681 210 H HN 0.058 nan 8.280 nan 0.000 0.521 211 L N 0.755 121.937 121.223 -0.069 0.000 2.049 211 L HA -0.035 4.305 4.340 -0.000 0.000 0.203 211 L C 1.627 178.430 176.870 -0.111 0.000 1.074 211 L CA 1.020 55.782 54.840 -0.129 0.000 0.749 211 L CB -0.022 41.959 42.059 -0.130 0.000 0.907 211 L HN 0.346 nan 8.230 nan 0.000 0.439 212 S N -1.242 114.328 115.700 -0.216 0.000 2.397 212 S HA 0.194 4.664 4.470 -0.000 0.000 0.261 212 S C 0.317 174.472 174.600 -0.741 0.000 1.151 212 S CA -0.116 57.684 58.200 -0.667 0.000 1.022 212 S CB 0.454 63.423 63.200 -0.384 0.000 1.187 212 S HN 0.372 nan 8.310 nan 0.000 0.473 213 T N 0.477 114.639 114.554 -0.653 0.000 2.900 213 T HA 0.631 4.981 4.350 -0.000 0.000 0.307 213 T C -0.112 174.486 174.700 -0.169 0.000 1.065 213 T CA -0.337 61.617 62.100 -0.243 0.000 1.105 213 T CB 0.565 69.447 68.868 0.023 0.000 0.979 213 T HN 0.752 nan 8.240 nan 0.000 0.544 214 A N 2.662 125.229 122.820 -0.423 0.000 2.354 214 A HA 0.799 5.119 4.320 -0.000 0.000 0.321 214 A C -2.741 174.276 177.584 -0.946 0.000 1.125 214 A CA -2.531 49.001 52.037 -0.843 0.000 0.799 214 A CB 0.532 18.834 19.000 -1.164 0.000 1.293 214 A HN 0.668 nan 8.150 nan 0.000 0.452 215 P HA 0.037 nan 4.420 nan 0.000 0.266 215 P C 1.298 178.364 177.300 -0.389 0.000 1.186 215 P CA 0.314 63.045 63.100 -0.614 0.000 0.767 215 P CB 0.387 31.870 31.700 -0.361 0.000 0.820 216 V N 1.063 120.807 119.914 -0.283 0.000 2.720 216 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 216 V C 1.054 177.010 176.094 -0.231 0.000 1.082 216 V CA 1.495 63.681 62.300 -0.191 0.000 1.101 216 V CB -1.087 30.649 31.823 -0.145 0.000 0.693 216 V HN 0.421 nan 8.190 nan 0.000 0.479 217 K N 1.146 121.299 120.400 -0.411 0.000 2.570 217 K HA 0.343 4.663 4.320 -0.000 0.000 0.210 217 K C 0.376 176.772 176.600 -0.341 0.000 1.048 217 K CA -0.151 55.683 56.287 -0.756 0.000 1.167 217 K CB 0.413 32.194 32.500 -1.199 0.000 0.892 217 K HN 0.492 nan 8.250 nan 0.000 0.480 218 S N 0.697 116.319 115.700 -0.130 0.000 2.593 218 S HA 0.199 4.668 4.470 -0.000 0.000 0.269 218 S C -0.162 174.545 174.600 0.180 0.000 1.334 218 S CA -0.380 57.740 58.200 -0.133 0.000 1.015 218 S CB 0.180 63.156 63.200 -0.373 0.000 0.912 218 S HN 0.284 nan 8.310 nan 0.000 0.541 219 Y N -0.518 119.874 120.300 0.154 0.000 2.909 219 Y HA -0.300 4.250 4.550 -0.000 0.000 0.465 219 Y C 0.818 176.842 175.900 0.206 0.000 1.206 219 Y CA 0.467 58.642 58.100 0.125 0.000 2.474 219 Y CB -0.626 37.857 38.460 0.039 0.000 1.242 219 Y HN 0.563 nan 8.280 nan 0.000 0.634 220 R N 1.902 122.535 120.500 0.222 0.000 2.711 220 R HA 0.503 4.842 4.340 -0.000 0.000 0.284 220 R C -2.556 173.543 176.300 -0.335 0.000 0.968 220 R CA -1.777 54.281 56.100 -0.069 0.000 0.924 220 R CB 1.545 31.789 30.300 -0.094 0.000 1.162 220 R HN 0.255 nan 8.270 nan 0.000 0.465 221 P HA 0.040 nan 4.420 nan 0.000 0.276 221 P C -1.016 176.041 177.300 -0.406 0.000 1.244 221 P CA -0.503 62.057 63.100 -0.900 0.000 0.801 221 P CB 0.542 31.408 31.700 -1.391 0.000 1.006 222 N N -0.067 118.469 118.700 -0.273 0.000 2.322 222 N HA 0.031 4.771 4.740 -0.000 0.000 0.270 222 N C 1.536 176.922 175.510 -0.206 0.000 1.286 222 N CA 0.145 53.096 53.050 -0.165 0.000 0.948 222 N CB -1.158 37.255 38.487 -0.124 0.000 1.164 222 N HN 0.462 nan 8.380 nan 0.000 0.551 223 G N -1.951 106.719 108.800 -0.218 0.000 2.498 223 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 223 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 223 G C 0.807 175.574 174.900 -0.222 0.000 1.119 223 G CA 0.609 45.566 45.100 -0.238 0.000 0.766 223 G HN 0.812 nan 8.290 nan 0.000 0.552 224 H N -0.948 117.999 119.070 -0.204 0.000 2.551 224 H HA 0.315 4.871 4.556 -0.000 0.000 0.271 224 H C 1.933 177.148 175.328 -0.188 0.000 0.984 224 H CA -0.168 55.752 56.048 -0.213 0.000 1.164 224 H CB 0.587 30.184 29.762 -0.275 0.000 1.437 224 H HN 0.373 nan 8.280 nan 0.000 0.550 225 G N 1.078 109.808 108.800 -0.118 0.000 2.147 225 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 225 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 225 G C -0.350 174.421 174.900 -0.215 0.000 1.005 225 G CA -0.201 44.784 45.100 -0.191 0.000 0.713 225 G HN 0.102 nan 8.290 nan 0.000 0.515 226 L N -0.291 120.813 121.223 -0.198 0.000 2.289 226 L HA 0.741 5.081 4.340 -0.000 0.000 0.285 226 L C 0.135 176.916 176.870 -0.148 0.000 1.049 226 L CA -0.854 53.929 54.840 -0.095 0.000 0.804 226 L CB 0.709 42.721 42.059 -0.077 0.000 1.195 226 L HN 0.199 nan 8.230 nan 0.000 0.428 227 W N 3.345 124.650 121.300 0.008 0.000 2.469 227 W HA 0.424 5.084 4.660 -0.000 0.000 0.320 227 W C 0.535 177.085 176.519 0.051 0.000 1.086 227 W CA -0.654 56.711 57.345 0.034 0.000 1.211 227 W CB 0.452 29.926 29.460 0.024 0.000 1.298 227 W HN 0.514 nan 8.180 nan 0.000 0.525 228 N N 0.783 119.657 118.700 0.290 0.000 2.738 228 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 228 N C 1.109 176.748 175.510 0.215 0.000 1.047 228 N CA 1.435 54.626 53.050 0.236 0.000 0.707 228 N CB -1.345 37.280 38.487 0.230 0.000 0.937 228 N HN 0.716 nan 8.380 nan 0.000 0.545 229 T N -3.343 111.317 114.554 0.176 0.000 2.904 229 T HA 0.146 4.495 4.350 -0.000 0.000 0.267 229 T C 0.951 175.870 174.700 0.365 0.000 1.059 229 T CA 0.946 63.158 62.100 0.186 0.000 1.137 229 T CB 0.181 68.940 68.868 -0.181 0.000 0.879 229 T HN 0.478 nan 8.240 nan 0.000 0.467 230 A N 1.037 124.034 122.820 0.295 0.000 2.289 230 A HA 0.688 5.008 4.320 -0.000 0.000 0.298 230 A C 1.137 178.837 177.584 0.194 0.000 1.208 230 A CA -0.068 52.151 52.037 0.302 0.000 0.845 230 A CB -0.498 18.747 19.000 0.409 0.000 1.125 230 A HN 1.385 nan 8.150 nan 0.000 0.517 231 G N 2.669 111.532 108.800 0.105 0.000 2.645 231 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.246 231 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.246 231 G C 0.540 175.472 174.900 0.053 0.000 1.322 231 G CA 0.843 45.956 45.100 0.023 0.000 0.898 231 G HN 2.141 nan 8.290 nan 0.000 0.573 232 N N -2.967 115.786 118.700 0.089 0.000 3.921 232 N HA -0.261 4.479 4.740 -0.000 0.000 0.220 232 N C 0.518 176.151 175.510 0.204 0.000 0.235 232 N CA 4.368 57.507 53.050 0.149 0.000 2.805 232 N CB -1.259 37.292 38.487 0.107 0.000 1.351 232 N HN 2.445 nan 8.380 nan 0.000 0.341 233 V N -3.943 116.051 119.914 0.133 0.000 2.925 233 V HA 0.728 4.848 4.120 -0.000 0.000 0.311 233 V C -0.112 176.023 176.094 0.069 0.000 1.104 233 V CA -1.034 61.352 62.300 0.142 0.000 0.954 233 V CB 1.273 33.215 31.823 0.198 0.000 1.022 233 V HN 0.418 nan 8.190 nan 0.000 0.427 234 W N 0.988 122.309 121.300 0.035 0.000 2.187 234 W HA 0.415 5.074 4.660 -0.000 0.000 0.348 234 W C 0.582 177.062 176.519 -0.066 0.000 1.282 234 W CA 0.536 57.839 57.345 -0.070 0.000 1.271 234 W CB 0.317 29.654 29.460 -0.204 0.000 1.170 234 W HN 0.657 nan 8.180 nan 0.000 0.583 235 E N 1.367 121.681 120.200 0.190 0.000 2.244 235 E HA 0.123 4.473 4.350 -0.000 0.000 0.260 235 E C -1.379 175.290 176.600 0.115 0.000 0.884 235 E CA -0.885 55.635 56.400 0.198 0.000 0.777 235 E CB 0.850 30.768 29.700 0.364 0.000 1.197 235 E HN 0.304 nan 8.360 nan 0.000 0.416 236 W N 2.593 124.040 121.300 0.246 0.000 2.264 236 W HA 0.086 4.746 4.660 -0.000 0.000 0.331 236 W C 0.142 176.780 176.519 0.199 0.000 1.364 236 W CA -0.341 57.127 57.345 0.205 0.000 1.253 236 W CB 0.459 30.027 29.460 0.180 0.000 1.215 236 W HN 0.371 nan 8.180 nan 0.000 0.561 237 C N 1.419 120.999 119.300 0.467 0.000 2.505 237 C HA 0.246 4.705 4.460 -0.000 0.000 0.358 237 C C 1.862 177.129 174.990 0.462 0.000 1.226 237 C CA -0.266 58.972 59.018 0.368 0.000 1.900 237 C CB 1.594 29.477 27.740 0.238 0.000 2.306 237 C HN 0.799 nan 8.230 nan 0.000 0.512 238 S N -0.002 115.904 115.700 0.343 0.000 2.428 238 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 238 S C 0.011 174.721 174.600 0.183 0.000 1.014 238 S CA 0.713 59.133 58.200 0.367 0.000 0.957 238 S CB -0.680 62.659 63.200 0.231 0.000 0.784 238 S HN 0.839 nan 8.310 nan 0.000 0.499 239 D N 1.442 121.915 120.400 0.121 0.000 2.443 239 D HA 0.221 4.861 4.640 -0.000 0.000 0.239 239 D C -0.545 175.721 176.300 -0.057 0.000 1.136 239 D CA 0.037 54.051 54.000 0.022 0.000 0.879 239 D CB 0.147 40.986 40.800 0.065 0.000 1.195 239 D HN 0.463 nan 8.370 nan 0.000 0.443 240 W N 1.697 122.953 121.300 -0.073 0.000 2.223 240 W HA 0.143 4.803 4.660 -0.000 0.000 0.334 240 W C 0.521 177.009 176.519 -0.053 0.000 1.334 240 W CA -0.868 56.417 57.345 -0.100 0.000 1.246 240 W CB 0.309 29.688 29.460 -0.136 0.000 1.184 240 W HN 0.282 nan 8.180 nan 0.000 0.563 241 F N 3.872 123.934 119.950 0.187 0.000 2.399 241 F HA 0.395 4.922 4.527 -0.000 0.000 0.342 241 F C 0.277 176.094 175.800 0.028 0.000 1.106 241 F CA 0.226 58.266 58.000 0.067 0.000 1.196 241 F CB 0.838 39.857 39.000 0.033 0.000 1.163 241 F HN 0.097 nan 8.300 nan 0.000 0.547 242 S N 6.463 121.620 115.700 -0.906 0.000 2.543 242 S HA 0.432 4.901 4.470 -0.000 0.000 0.271 242 S C -2.252 171.737 174.600 -1.019 0.000 1.148 242 S CA -1.226 56.535 58.200 -0.732 0.000 0.914 242 S CB 1.893 64.938 63.200 -0.258 0.000 1.096 242 S HN 0.502 nan 8.310 nan 0.000 0.471 243 P HA 0.096 nan 4.420 nan 0.000 0.241 243 P C 0.876 178.035 177.300 -0.235 0.000 1.191 243 P CA 0.632 63.494 63.100 -0.397 0.000 0.771 243 P CB -0.234 31.414 31.700 -0.088 0.000 0.929 244 T N -6.486 107.963 114.554 -0.174 0.000 3.085 244 T HA 0.067 4.417 4.350 -0.000 0.000 0.264 244 T C 1.431 176.105 174.700 -0.043 0.000 1.019 244 T CA -0.333 61.711 62.100 -0.093 0.000 0.910 244 T CB -0.846 67.985 68.868 -0.060 0.000 1.059 244 T HN -0.152 nan 8.240 nan 0.000 0.542 245 Y N 1.320 121.520 120.300 -0.167 0.000 2.242 245 Y HA -0.035 4.514 4.550 -0.000 0.000 0.291 245 Y C 1.777 177.680 175.900 0.004 0.000 1.137 245 Y CA 0.744 58.805 58.100 -0.066 0.000 1.181 245 Y CB -0.414 38.019 38.460 -0.045 0.000 0.989 245 Y HN 0.187 nan 8.280 nan 0.000 0.527 246 Y N -0.189 119.916 120.300 -0.326 0.000 2.165 246 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 246 Y C 2.694 178.206 175.900 -0.647 0.000 1.155 246 Y CA 0.857 58.566 58.100 -0.651 0.000 1.164 246 Y CB -1.444 36.791 38.460 -0.374 0.000 0.978 246 Y HN 0.234 nan 8.280 nan 0.000 0.513 247 A N 0.180 122.884 122.820 -0.193 0.000 2.067 247 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 247 A C 1.755 179.217 177.584 -0.202 0.000 1.158 247 A CA 1.589 53.523 52.037 -0.171 0.000 0.661 247 A CB -0.566 18.378 19.000 -0.094 0.000 0.801 247 A HN 0.633 nan 8.150 nan 0.000 0.452 248 E N -0.867 119.172 120.200 -0.269 0.000 2.603 248 E HA 0.237 4.587 4.350 -0.000 0.000 0.211 248 E C 0.174 176.552 176.600 -0.370 0.000 0.995 248 E CA -0.025 56.234 56.400 -0.236 0.000 0.990 248 E CB -0.111 29.518 29.700 -0.118 0.000 1.036 248 E HN 0.199 nan 8.360 nan 0.000 0.475 249 S N 3.041 118.380 115.700 -0.602 0.000 2.549 249 S HA 0.180 4.649 4.470 -0.000 0.000 0.283 249 S C -1.750 172.699 174.600 -0.252 0.000 1.320 249 S CA -1.213 56.583 58.200 -0.673 0.000 1.058 249 S CB 0.455 63.231 63.200 -0.708 0.000 0.882 249 S HN 0.181 nan 8.310 nan 0.000 0.498 250 P HA 0.180 nan 4.420 nan 0.000 0.272 250 P C 0.658 177.952 177.300 -0.010 0.000 1.240 250 P CA -0.340 62.746 63.100 -0.022 0.000 0.791 250 P CB 0.274 32.003 31.700 0.048 0.000 0.978 251 T N -0.439 114.112 114.554 -0.004 0.000 2.812 251 T HA 0.019 4.369 4.350 -0.000 0.000 0.264 251 T C 0.866 175.570 174.700 0.007 0.000 1.042 251 T CA 0.893 62.988 62.100 -0.008 0.000 1.140 251 T CB -0.126 68.733 68.868 -0.014 0.000 0.870 251 T HN 0.189 nan 8.240 nan 0.000 0.445 252 V N 2.778 122.708 119.914 0.026 0.000 2.394 252 V HA 0.235 4.355 4.120 -0.000 0.000 0.282 252 V C -0.335 175.795 176.094 0.060 0.000 1.031 252 V CA -0.896 61.424 62.300 0.033 0.000 0.881 252 V CB 1.261 33.103 31.823 0.032 0.000 0.982 252 V HN 0.406 nan 8.190 nan 0.000 0.451 253 D N 3.941 124.361 120.400 0.034 0.000 2.829 253 D HA -0.123 4.517 4.640 -0.000 0.000 0.219 253 D C -2.097 174.241 176.300 0.063 0.000 1.239 253 D CA 0.392 54.396 54.000 0.007 0.000 0.685 253 D CB -0.449 40.378 40.800 0.045 0.000 0.950 253 D HN 0.438 nan 8.370 nan 0.000 0.398 254 P HA 0.014 nan 4.420 nan 0.000 0.268 254 P C 0.466 177.836 177.300 0.118 0.000 1.205 254 P CA 0.261 63.496 63.100 0.224 0.000 0.771 254 P CB 0.657 32.532 31.700 0.291 0.000 0.858 255 H N 0.786 119.971 119.070 0.192 0.000 2.893 255 H HA 0.248 4.804 4.556 -0.000 0.000 0.270 255 H C 1.132 176.449 175.328 -0.017 0.000 1.095 255 H CA 0.623 56.727 56.048 0.092 0.000 1.186 255 H CB 0.890 30.697 29.762 0.075 0.000 1.562 255 H HN 0.758 nan 8.280 nan 0.000 0.536 256 G N 2.321 111.049 108.800 -0.120 0.000 2.661 256 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.685 256 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.685 256 G C -2.775 171.835 174.900 -0.483 0.000 1.298 256 G CA -0.946 43.707 45.100 -0.746 0.000 0.855 256 G HN 0.009 nan 8.290 nan 0.000 0.560 257 P HA 0.301 nan 4.420 nan 0.000 0.272 257 P C 1.324 178.673 177.300 0.082 0.000 1.240 257 P CA 0.638 63.695 63.100 -0.071 0.000 0.791 257 P CB 0.476 32.135 31.700 -0.070 0.000 0.978 258 G N 0.618 109.464 108.800 0.077 0.000 2.408 258 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.217 258 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.217 258 G C 0.542 175.518 174.900 0.126 0.000 1.150 258 G CA 1.143 46.314 45.100 0.119 0.000 0.776 258 G HN 0.754 nan 8.290 nan 0.000 0.542 259 T N -3.599 110.867 114.554 -0.148 0.000 2.910 259 T HA 0.739 5.089 4.350 -0.000 0.000 0.287 259 T C -0.182 173.890 174.700 -1.046 0.000 1.050 259 T CA -0.072 61.668 62.100 -0.600 0.000 1.011 259 T CB 2.501 71.143 68.868 -0.377 0.000 1.195 259 T HN 1.096 nan 8.240 nan 0.000 0.540 260 G N -1.377 106.475 108.800 -1.580 0.000 2.322 260 G HA2 0.602 4.562 3.960 -0.000 0.000 0.295 260 G HA3 0.602 4.562 3.960 -0.000 0.000 0.295 260 G C -0.093 174.050 174.900 -1.261 0.000 1.369 260 G CA -0.121 44.248 45.100 -1.220 0.000 0.821 260 G HN 1.120 nan 8.290 nan 0.000 0.536 261 A N -1.234 121.266 122.820 -0.535 0.000 2.070 261 A HA 0.843 5.163 4.320 -0.000 0.000 0.202 261 A C 1.149 178.761 177.584 0.046 0.000 1.277 261 A CA 1.798 53.676 52.037 -0.265 0.000 0.872 261 A CB 0.029 18.939 19.000 -0.151 0.000 0.933 261 A HN 2.255 nan 8.150 nan 0.000 0.475 262 A N 0.375 123.308 122.820 0.188 0.000 2.365 262 A HA 0.717 5.037 4.320 -0.000 0.000 0.318 262 A C -0.465 177.341 177.584 0.370 0.000 1.091 262 A CA -0.753 51.429 52.037 0.241 0.000 0.763 262 A CB 0.966 20.007 19.000 0.068 0.000 1.248 262 A HN 0.183 nan 8.150 nan 0.000 0.442 263 R N 0.809 121.394 120.500 0.142 0.000 2.500 263 R HA 0.446 4.786 4.340 -0.000 0.000 0.277 263 R C -0.341 176.073 176.300 0.191 0.000 1.026 263 R CA -0.639 55.447 56.100 -0.024 0.000 1.058 263 R CB 1.234 31.189 30.300 -0.575 0.000 1.078 263 R HN 0.486 nan 8.270 nan 0.000 0.509 264 V N 3.995 124.027 119.914 0.197 0.000 2.637 264 V HA 0.135 4.255 4.120 -0.000 0.000 0.296 264 V C 0.633 176.784 176.094 0.096 0.000 1.046 264 V CA 0.133 62.536 62.300 0.172 0.000 1.066 264 V CB 0.548 32.500 31.823 0.214 0.000 0.968 264 V HN 0.425 nan 8.190 nan 0.000 0.483 265 L N 6.158 127.316 121.223 -0.108 0.000 2.354 265 L HA 0.751 5.091 4.340 -0.000 0.000 0.269 265 L C -0.161 176.655 176.870 -0.089 0.000 1.005 265 L CA -0.795 53.919 54.840 -0.210 0.000 0.819 265 L CB 1.934 43.660 42.059 -0.555 0.000 1.311 265 L HN 0.514 nan 8.230 nan 0.000 0.423 266 R N 1.003 121.406 120.500 -0.162 0.000 2.771 266 R HA 0.661 5.001 4.340 -0.000 0.000 0.274 266 R C 0.267 176.357 176.300 -0.349 0.000 0.987 266 R CA -0.142 55.695 56.100 -0.438 0.000 0.908 266 R CB 1.888 31.322 30.300 -1.444 0.000 1.213 266 R HN 0.863 nan 8.270 nan 0.000 0.468 267 G N -0.133 108.494 108.800 -0.290 0.000 2.352 267 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.204 267 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.204 267 G C 0.452 175.135 174.900 -0.363 0.000 1.004 267 G CA 0.069 45.120 45.100 -0.082 0.000 0.648 267 G HN 1.283 nan 8.290 nan 0.000 0.491 268 G N -0.893 107.154 108.800 -1.256 0.000 2.855 268 G HA2 0.409 4.369 3.960 -0.000 0.000 0.352 268 G HA3 0.409 4.369 3.960 -0.000 0.000 0.352 268 G C 0.162 174.498 174.900 -0.941 0.000 1.415 268 G CA 1.053 45.330 45.100 -1.372 0.000 0.871 268 G HN 2.506 nan 8.290 nan 0.000 0.543 269 S N -1.974 113.374 115.700 -0.586 0.000 2.819 269 S HA 0.672 5.141 4.470 -0.000 0.000 0.299 269 S C 0.773 175.329 174.600 -0.075 0.000 1.192 269 S CA 0.352 58.393 58.200 -0.266 0.000 0.847 269 S CB 0.740 63.788 63.200 -0.254 0.000 1.224 269 S HN 2.187 nan 8.310 nan 0.000 0.537 270 Y N -0.071 120.245 120.300 0.026 0.000 2.651 270 Y HA 0.369 4.919 4.550 -0.000 0.000 0.296 270 Y C 1.176 177.161 175.900 0.142 0.000 1.150 270 Y CA 0.584 58.715 58.100 0.052 0.000 1.348 270 Y CB -0.688 37.801 38.460 0.049 0.000 0.983 270 Y HN 0.420 nan 8.280 nan 0.000 0.555 271 L N -0.801 120.314 121.223 -0.180 0.000 2.616 271 L HA 0.192 4.532 4.340 -0.000 0.000 0.229 271 L C 0.520 177.409 176.870 0.032 0.000 1.110 271 L CA -0.415 54.398 54.840 -0.046 0.000 0.884 271 L CB 0.029 41.924 42.059 -0.274 0.000 1.115 271 L HN 0.144 nan 8.230 nan 0.000 0.481 272 c N 1.337 119.954 118.600 0.029 0.000 2.651 272 c HA 0.141 4.711 4.570 -0.000 0.000 0.410 272 c C 0.379 174.534 174.090 0.109 0.000 1.372 272 c CA 0.048 56.358 56.329 -0.032 0.000 1.707 272 c CB -1.236 41.334 42.510 0.101 0.000 2.501 272 c HN 0.306 nan 8.230 nan 0.000 0.598 273 H N 4.078 123.045 119.070 -0.173 0.000 2.759 273 H HA 0.161 4.717 4.556 -0.000 0.000 0.354 273 H C 0.434 175.753 175.328 -0.015 0.000 1.074 273 H CA -0.355 55.706 56.048 0.022 0.000 1.226 273 H CB 1.679 31.452 29.762 0.019 0.000 1.648 273 H HN 0.803 nan 8.280 nan 0.000 0.529 274 D N 2.592 122.784 120.400 -0.347 0.000 2.354 274 D HA -0.194 4.446 4.640 -0.000 0.000 0.216 274 D C 1.412 177.651 176.300 -0.103 0.000 0.970 274 D CA 1.147 55.046 54.000 -0.167 0.000 0.905 274 D CB -0.133 40.620 40.800 -0.079 0.000 0.903 274 D HN 0.425 nan 8.370 nan 0.000 0.508 275 S N -0.380 115.323 115.700 0.006 0.000 2.423 275 S HA -0.182 4.287 4.470 -0.000 0.000 0.231 275 S C 1.731 176.448 174.600 0.194 0.000 1.014 275 S CA 1.000 59.321 58.200 0.201 0.000 0.965 275 S CB -0.757 62.695 63.200 0.419 0.000 0.785 275 S HN 0.644 nan 8.310 nan 0.000 0.495 276 Y N -1.207 119.070 120.300 -0.039 0.000 2.515 276 Y HA 0.604 5.154 4.550 -0.000 0.000 0.267 276 Y C 0.148 176.032 175.900 -0.027 0.000 1.058 276 Y CA -1.022 57.047 58.100 -0.051 0.000 1.231 276 Y CB 0.113 38.467 38.460 -0.177 0.000 1.350 276 Y HN 0.458 nan 8.280 nan 0.000 0.554 277 c N 3.114 121.312 118.600 -0.670 0.000 2.880 277 c HA 0.634 5.204 4.570 -0.000 0.000 0.320 277 c C -1.176 172.710 174.090 -0.340 0.000 1.176 277 c CA -0.095 55.864 56.329 -0.617 0.000 1.390 277 c CB 1.297 43.165 42.510 -1.070 0.000 1.846 277 c HN 0.646 nan 8.230 nan 0.000 0.478 278 N N 2.553 121.049 118.700 -0.340 0.000 2.547 278 N HA 0.190 4.930 4.740 -0.000 0.000 0.285 278 N C 0.246 175.351 175.510 -0.674 0.000 1.600 278 N CA -0.469 52.210 53.050 -0.619 0.000 0.872 278 N CB -0.132 38.107 38.487 -0.413 0.000 1.412 278 N HN 0.660 nan 8.380 nan 0.000 0.489 279 R N 0.404 120.654 120.500 -0.416 0.000 2.319 279 R HA 0.069 4.409 4.340 -0.000 0.000 0.204 279 R C 0.150 176.317 176.300 -0.221 0.000 0.954 279 R CA 0.183 56.162 56.100 -0.202 0.000 1.066 279 R CB -0.467 29.870 30.300 0.062 0.000 0.991 279 R HN 0.556 nan 8.270 nan 0.000 0.486 280 Y N -0.525 119.751 120.300 -0.039 0.000 2.523 280 Y HA 0.260 4.810 4.550 -0.000 0.000 0.279 280 Y C 0.576 176.586 175.900 0.183 0.000 1.139 280 Y CA -0.829 57.294 58.100 0.039 0.000 1.296 280 Y CB -0.363 38.136 38.460 0.065 0.000 1.045 280 Y HN -0.256 nan 8.280 nan 0.000 0.538 281 R N 1.424 121.914 120.500 -0.017 0.000 2.638 281 R HA 0.033 4.372 4.340 -0.000 0.000 0.268 281 R C 1.527 177.860 176.300 0.054 0.000 1.006 281 R CA 0.542 56.614 56.100 -0.048 0.000 1.088 281 R CB 0.905 31.066 30.300 -0.232 0.000 0.950 281 R HN 0.349 nan 8.270 nan 0.000 0.419 282 V N 0.206 120.137 119.914 0.029 0.000 2.490 282 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 282 V C 1.719 177.957 176.094 0.239 0.000 1.061 282 V CA 1.926 64.326 62.300 0.166 0.000 1.064 282 V CB -0.735 31.138 31.823 0.083 0.000 0.670 282 V HN 0.848 nan 8.190 nan 0.000 0.461 283 A N 0.379 123.291 122.820 0.154 0.000 2.218 283 A HA 0.652 4.972 4.320 -0.000 0.000 0.209 283 A C 1.515 179.218 177.584 0.199 0.000 1.168 283 A CA 0.532 52.695 52.037 0.210 0.000 0.804 283 A CB -0.629 18.479 19.000 0.180 0.000 0.834 283 A HN 0.935 nan 8.150 nan 0.000 0.482 284 A N 1.353 124.253 122.820 0.132 0.000 2.520 284 A HA 0.472 4.792 4.320 -0.000 0.000 0.245 284 A C 0.628 178.306 177.584 0.157 0.000 1.072 284 A CA -0.158 51.945 52.037 0.110 0.000 0.761 284 A CB -0.095 18.926 19.000 0.035 0.000 1.004 284 A HN 0.691 nan 8.150 nan 0.000 0.499 285 R N 1.323 121.920 120.500 0.162 0.000 2.807 285 R HA 0.862 5.202 4.340 -0.000 0.000 0.276 285 R C -0.626 175.714 176.300 0.067 0.000 0.979 285 R CA -0.433 55.765 56.100 0.164 0.000 0.928 285 R CB 1.784 32.227 30.300 0.238 0.000 1.191 285 R HN 0.603 nan 8.270 nan 0.000 0.471 286 S N 0.064 115.717 115.700 -0.078 0.000 2.688 286 S HA 0.701 5.171 4.470 -0.000 0.000 0.275 286 S C -1.685 172.597 174.600 -0.529 0.000 1.175 286 S CA -0.159 57.798 58.200 -0.405 0.000 0.818 286 S CB 1.730 64.608 63.200 -0.537 0.000 1.157 286 S HN 0.980 nan 8.310 nan 0.000 0.482 287 S N 1.604 116.904 115.700 -0.666 0.000 2.588 287 S HA 0.789 5.259 4.470 -0.000 0.000 0.269 287 S C -1.644 172.712 174.600 -0.406 0.000 1.157 287 S CA -0.759 57.151 58.200 -0.483 0.000 0.824 287 S CB 1.747 64.622 63.200 -0.541 0.000 1.126 287 S HN 0.714 nan 8.310 nan 0.000 0.464 288 N N 0.328 118.925 118.700 -0.172 0.000 2.598 288 N HA 0.508 5.248 4.740 -0.000 0.000 0.263 288 N C -1.267 174.329 175.510 0.145 0.000 1.254 288 N CA -0.107 52.899 53.050 -0.073 0.000 0.863 288 N CB 2.274 40.664 38.487 -0.162 0.000 1.586 288 N HN 1.008 nan 8.380 nan 0.000 0.491 289 T N 0.024 114.624 114.554 0.076 0.000 2.928 289 T HA 0.196 4.546 4.350 -0.000 0.000 0.305 289 T C -1.573 173.181 174.700 0.090 0.000 1.035 289 T CA -0.731 61.410 62.100 0.068 0.000 1.145 289 T CB 0.873 69.743 68.868 0.003 0.000 0.963 289 T HN 0.353 nan 8.240 nan 0.000 0.545 290 P HA -0.067 nan 4.420 nan 0.000 0.222 290 P C 0.735 177.958 177.300 -0.127 0.000 1.147 290 P CA 0.976 63.931 63.100 -0.242 0.000 0.790 290 P CB 0.003 31.483 31.700 -0.367 0.000 0.780 291 D N -1.685 118.696 120.400 -0.032 0.000 2.325 291 D HA 0.054 4.694 4.640 -0.000 0.000 0.225 291 D C 0.394 176.699 176.300 0.007 0.000 1.096 291 D CA -0.247 53.747 54.000 -0.009 0.000 0.844 291 D CB -0.429 40.364 40.800 -0.013 0.000 0.925 291 D HN -0.093 nan 8.370 nan 0.000 0.513 292 S N -0.308 115.438 115.700 0.076 0.000 2.610 292 S HA 0.589 5.059 4.470 -0.000 0.000 0.273 292 S C -0.286 174.449 174.600 0.226 0.000 1.274 292 S CA -0.477 57.776 58.200 0.089 0.000 1.023 292 S CB 0.620 63.869 63.200 0.081 0.000 0.962 292 S HN 0.435 nan 8.310 nan 0.000 0.523 293 S N 1.384 117.170 115.700 0.143 0.000 2.550 293 S HA 0.829 5.299 4.470 -0.000 0.000 0.270 293 S C -0.976 173.719 174.600 0.157 0.000 1.145 293 S CA -0.680 57.657 58.200 0.229 0.000 0.852 293 S CB 1.551 64.933 63.200 0.302 0.000 1.119 293 S HN 1.063 nan 8.310 nan 0.000 0.465 294 S N 0.001 115.786 115.700 0.142 0.000 2.587 294 S HA 0.690 5.160 4.470 -0.000 0.000 0.269 294 S C 0.735 175.233 174.600 -0.171 0.000 1.154 294 S CA -0.457 57.744 58.200 0.003 0.000 0.824 294 S CB 0.682 63.659 63.200 -0.372 0.000 1.118 294 S HN 1.602 nan 8.310 nan 0.000 0.462 295 G N 0.847 109.611 108.800 -0.059 0.000 2.625 295 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.214 295 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.214 295 G C 0.760 175.838 174.900 0.297 0.000 1.132 295 G CA 0.749 45.806 45.100 -0.072 0.000 0.782 295 G HN 0.956 nan 8.290 nan 0.000 0.538 296 N N -0.727 118.190 118.700 0.363 0.000 2.235 296 N HA 0.193 4.933 4.740 -0.000 0.000 0.231 296 N C -0.329 175.373 175.510 0.320 0.000 1.177 296 N CA -0.435 52.839 53.050 0.374 0.000 0.874 296 N CB 0.453 39.084 38.487 0.240 0.000 1.097 296 N HN 0.191 nan 8.380 nan 0.000 0.518 297 L N 0.123 121.474 121.223 0.213 0.000 2.376 297 L HA 0.873 5.213 4.340 -0.000 0.000 0.275 297 L C -0.023 176.960 176.870 0.188 0.000 0.987 297 L CA -0.417 54.520 54.840 0.162 0.000 0.828 297 L CB 1.535 43.586 42.059 -0.014 0.000 1.249 297 L HN 0.155 nan 8.230 nan 0.000 0.409 298 G N 3.152 112.088 108.800 0.226 0.000 3.214 298 G HA2 0.740 4.700 3.960 -0.000 0.000 0.188 298 G HA3 0.740 4.700 3.960 -0.000 0.000 0.188 298 G C -1.291 173.935 174.900 0.543 0.000 1.126 298 G CA 0.052 45.362 45.100 0.350 0.000 0.796 298 G HN 0.858 nan 8.290 nan 0.000 0.631 299 F N -1.219 118.839 119.950 0.180 0.000 2.769 299 F HA 0.759 5.285 4.527 -0.000 0.000 0.313 299 F C -0.974 174.937 175.800 0.184 0.000 1.146 299 F CA -1.526 56.611 58.000 0.229 0.000 0.934 299 F CB 0.990 40.156 39.000 0.277 0.000 1.283 299 F HN 0.786 nan 8.300 nan 0.000 0.443 300 R N 1.291 121.949 120.500 0.264 0.000 2.807 300 R HA 0.913 5.253 4.340 -0.000 0.000 0.276 300 R C -1.553 174.939 176.300 0.320 0.000 0.979 300 R CA -0.647 55.538 56.100 0.142 0.000 0.928 300 R CB 1.513 31.926 30.300 0.188 0.000 1.191 300 R HN 0.859 nan 8.270 nan 0.000 0.471 301 C N 0.769 120.222 119.300 0.254 0.000 2.328 301 C HA 0.958 5.418 4.460 -0.000 0.000 0.378 301 C C 0.421 175.561 174.990 0.250 0.000 1.249 301 C CA 0.107 59.302 59.018 0.296 0.000 2.204 301 C CB 1.225 29.146 27.740 0.301 0.000 2.218 301 C HN 0.983 nan 8.230 nan 0.000 0.564 302 A N 1.282 124.243 122.820 0.235 0.000 2.533 302 A HA 0.913 5.233 4.320 -0.000 0.000 0.293 302 A C -1.332 176.381 177.584 0.216 0.000 1.228 302 A CA -0.342 51.850 52.037 0.258 0.000 0.689 302 A CB 1.340 20.524 19.000 0.306 0.000 1.303 302 A HN 0.797 nan 8.150 nan 0.000 0.444 303 N N -0.405 118.457 118.700 0.270 0.000 2.935 303 N HA 0.308 5.048 4.740 -0.000 0.000 0.248 303 N C -2.190 173.500 175.510 0.301 0.000 1.276 303 N CA -0.443 52.743 53.050 0.227 0.000 0.906 303 N CB 1.724 40.307 38.487 0.159 0.000 1.564 303 N HN 0.629 nan 8.380 nan 0.000 0.500 304 D N 0.691 121.226 120.400 0.224 0.000 2.382 304 D HA 0.482 5.122 4.640 -0.000 0.000 0.240 304 D C -0.071 176.391 176.300 0.271 0.000 1.146 304 D CA 0.392 54.518 54.000 0.211 0.000 0.897 304 D CB 0.704 41.587 40.800 0.139 0.000 1.197 304 D HN 0.536 nan 8.370 nan 0.000 0.432 305 A N 1.494 124.417 122.820 0.172 0.000 2.423 305 A HA 0.433 4.753 4.320 -0.000 0.000 0.304 305 A C -0.615 177.010 177.584 0.069 0.000 1.104 305 A CA -0.839 51.259 52.037 0.102 0.000 0.757 305 A CB 1.211 20.071 19.000 -0.233 0.000 1.313 305 A HN 0.448 nan 8.150 nan 0.000 0.423 306 D N 0.867 121.309 120.400 0.069 0.000 2.302 306 D HA 0.409 5.049 4.640 -0.000 0.000 0.248 306 D C 0.507 176.817 176.300 0.017 0.000 1.094 306 D CA -0.002 54.025 54.000 0.044 0.000 0.897 306 D CB 0.917 41.746 40.800 0.048 0.000 1.200 306 D HN 0.403 nan 8.370 nan 0.000 0.429 307 L N 0.000 121.233 121.223 0.017 0.000 2.949 307 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 307 L CA 0.000 54.845 54.840 0.008 0.000 0.813 307 L CB 0.000 42.065 42.059 0.011 0.000 0.961 307 L HN 0.000 nan 8.230 nan 0.000 0.502