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 3f29_1_A DATA FIRST_RESID 5 DATA SEQUENCE NLKPVDAMQC FDCHTQIEDM HTVGKHATVN CVHCHDATEH VETASSRRMG DATA SEQUENCE ERPVTRMDLE ACATCHTAQF NSFVEVRHES HPRLEKATPT SRSPMFDKLI DATA SEQUENCE AGHGFAFEHA EPRSHAFMLV DHFVVDRAYG GRFQFKNWQK VTDGMGAVRG DATA SEQUENCE AWTVLTDADP ESSDQRRFLS QTATAANPVC LNCKTQDHIL DWAYMGDEHE DATA SEQUENCE AAKWSRTSEV VEFARDLNHP LNCFMCHDPH SAGPRVVRDG LINAVVDRGL DATA SEQUENCE GTYPHDPVKS EQQGMTKVTF QRGREDFRAI GLLDTADSNV MCAQCHVEYN DATA SEQUENCE CNPGYQLSDG SRVGMDDRRA NHFFWANVFD YKEAAQEIDF FDFRHATTGA DATA SEQUENCE ALPKLQHPEA ETFWGSVHER NGVACADCHM PKVQLENGKV YTSHSQRTPR DATA SEQUENCE DMMGQACLNC HAEWTEDQAL YAIDYIKNYT HGKIVKSEYW LAKMIDLFPV DATA SEQUENCE AKRAGVSEDV LNQARELHYD AHLYWEWWTA ENSVGFHNPD QARESLMTSI DATA SEQUENCE SKSKEAVSLL NDAIDAQVA 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.471 175.510 -0.065 0.000 1.280 5 N CA 0.000 53.021 53.050 -0.049 0.000 0.885 5 N CB 0.000 38.463 38.487 -0.040 0.000 1.341 6 L N 1.382 122.549 121.223 -0.095 0.000 2.490 6 L HA 0.174 4.514 4.340 -0.000 0.000 0.274 6 L C 0.413 177.218 176.870 -0.109 0.000 1.201 6 L CA 0.093 54.853 54.840 -0.134 0.000 0.869 6 L CB 0.252 42.163 42.059 -0.247 0.000 1.123 6 L HN 0.172 nan 8.230 nan 0.000 0.484 7 K N 4.472 124.816 120.400 -0.094 0.000 2.244 7 K HA 0.471 4.791 4.320 -0.000 0.000 0.260 7 K C -2.311 174.244 176.600 -0.075 0.000 0.951 7 K CA -1.924 54.321 56.287 -0.070 0.000 0.826 7 K CB 1.456 33.926 32.500 -0.050 0.000 1.108 7 K HN 0.285 nan 8.250 nan 0.000 0.433 8 P HA 0.075 nan 4.420 nan 0.000 0.272 8 P C 0.008 177.280 177.300 -0.046 0.000 1.223 8 P CA -0.453 62.617 63.100 -0.049 0.000 0.784 8 P CB 0.684 32.371 31.700 -0.022 0.000 0.923 9 V N -1.707 118.176 119.914 -0.051 0.000 3.096 9 V HA 0.438 4.558 4.120 -0.000 0.000 0.319 9 V C 0.148 176.197 176.094 -0.076 0.000 1.082 9 V CA -0.906 61.359 62.300 -0.059 0.000 1.022 9 V CB 1.238 33.024 31.823 -0.061 0.000 1.103 9 V HN 0.384 nan 8.190 nan 0.000 0.455 10 D N 1.620 121.971 120.400 -0.083 0.000 2.383 10 D HA 0.431 5.071 4.640 -0.000 0.000 0.245 10 D C 1.011 177.202 176.300 -0.181 0.000 1.263 10 D CA 0.539 54.480 54.000 -0.098 0.000 0.936 10 D CB 1.111 41.868 40.800 -0.072 0.000 1.053 10 D HN 0.852 nan 8.370 nan 0.000 0.507 11 A N 5.134 127.802 122.820 -0.254 0.000 1.972 11 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 11 A C 2.058 179.191 177.584 -0.751 0.000 1.169 11 A CA 0.877 52.572 52.037 -0.569 0.000 0.635 11 A CB -0.308 18.334 19.000 -0.598 0.000 0.810 11 A HN 0.596 nan 8.150 nan 0.000 0.446 12 M N -0.566 118.849 119.600 -0.309 0.000 2.159 12 M HA -0.193 4.287 4.480 -0.000 0.000 0.263 12 M C 2.251 178.517 176.300 -0.057 0.000 1.063 12 M CA 1.859 57.120 55.300 -0.065 0.000 1.110 12 M CB -1.500 31.126 32.600 0.042 0.000 1.374 12 M HN 0.713 nan 8.290 nan 0.000 0.411 13 Q N -0.075 119.665 119.800 -0.101 0.000 2.061 13 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 13 Q C 2.263 178.221 176.000 -0.070 0.000 0.984 13 Q CA 2.285 58.046 55.803 -0.070 0.000 0.846 13 Q CB -0.007 28.686 28.738 -0.074 0.000 0.902 13 Q HN 0.577 nan 8.270 nan 0.000 0.421 14 C N 0.258 119.470 119.300 -0.147 0.000 2.413 14 C HA -0.155 4.305 4.460 -0.000 0.000 0.276 14 C C 2.351 177.405 174.990 0.107 0.000 1.236 14 C CA 0.411 59.394 59.018 -0.057 0.000 1.735 14 C CB -1.495 26.105 27.740 -0.234 0.000 2.031 14 C HN 0.530 nan 8.230 nan 0.000 0.474 15 F N 1.386 121.360 119.950 0.040 0.000 2.333 15 F HA -0.080 4.447 4.527 0.000 0.000 0.300 15 F C 2.043 177.849 175.800 0.011 0.000 1.083 15 F CA 0.960 58.983 58.000 0.038 0.000 1.395 15 F CB -1.193 37.821 39.000 0.022 0.000 1.056 15 F HN 0.296 nan 8.300 nan 0.000 0.529 16 D N -1.078 119.417 120.400 0.157 0.000 2.263 16 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 16 D C 1.834 178.133 176.300 -0.001 0.000 0.971 16 D CA 1.071 55.107 54.000 0.059 0.000 0.867 16 D CB -0.172 40.638 40.800 0.018 0.000 0.929 16 D HN 0.289 nan 8.370 nan 0.000 0.492 17 C N -0.983 118.290 119.300 -0.045 0.000 3.336 17 C HA 0.177 4.637 4.460 -0.000 0.000 0.291 17 C C 0.573 175.376 174.990 -0.312 0.000 1.363 17 C CA -0.431 58.465 59.018 -0.204 0.000 1.737 17 C CB -0.170 27.369 27.740 -0.336 0.000 2.274 17 C HN 0.262 nan 8.230 nan 0.000 0.663 18 H N 0.720 119.848 119.070 0.097 0.000 2.386 18 H HA 0.170 4.726 4.556 -0.000 0.000 0.232 18 H C 0.873 176.259 175.328 0.096 0.000 1.416 18 H CA -0.002 56.109 56.048 0.105 0.000 1.285 18 H CB 0.354 30.187 29.762 0.117 0.000 1.625 18 H HN 0.202 nan 8.280 nan 0.000 0.521 19 T N -0.423 114.194 114.554 0.105 0.000 2.867 19 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 19 T C 1.999 176.695 174.700 -0.006 0.000 1.057 19 T CA 1.187 63.299 62.100 0.020 0.000 1.136 19 T CB 0.453 69.318 68.868 -0.004 0.000 0.874 19 T HN 0.459 nan 8.240 nan 0.000 0.466 20 Q N 0.212 120.035 119.800 0.039 0.000 2.050 20 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 20 Q C 2.133 178.155 176.000 0.038 0.000 0.980 20 Q CA 1.276 57.092 55.803 0.022 0.000 0.840 20 Q CB -0.099 28.660 28.738 0.034 0.000 0.898 20 Q HN 0.352 nan 8.270 nan 0.000 0.424 21 I N 1.097 121.706 120.570 0.064 0.000 2.252 21 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 21 I C 2.297 178.386 176.117 -0.047 0.000 1.102 21 I CA 1.469 62.766 61.300 -0.004 0.000 1.385 21 I CB -1.467 36.462 38.000 -0.118 0.000 1.064 21 I HN 0.442 nan 8.210 nan 0.000 0.414 22 E N 1.138 121.192 120.200 -0.244 0.000 2.070 22 E HA -0.275 4.075 4.350 -0.000 0.000 0.197 22 E C 1.587 177.948 176.600 -0.399 0.000 1.004 22 E CA 1.817 57.707 56.400 -0.851 0.000 0.805 22 E CB 0.084 29.234 29.700 -0.918 0.000 0.744 22 E HN 0.390 nan 8.360 nan 0.000 0.451 23 D N -0.354 119.931 120.400 -0.192 0.000 2.218 23 D HA -0.142 4.498 4.640 -0.000 0.000 0.204 23 D C 1.927 178.206 176.300 -0.035 0.000 0.976 23 D CA 1.053 54.992 54.000 -0.101 0.000 0.853 23 D CB -0.062 40.699 40.800 -0.065 0.000 0.939 23 D HN 0.371 nan 8.370 nan 0.000 0.481 24 M N -0.912 118.698 119.600 0.015 0.000 2.216 24 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 24 M C 2.249 178.627 176.300 0.131 0.000 1.080 24 M CA 0.822 56.177 55.300 0.092 0.000 1.153 24 M CB -0.296 32.405 32.600 0.168 0.000 1.356 24 M HN 0.079 nan 8.290 nan 0.000 0.432 25 H N 0.686 119.798 119.070 0.070 0.000 2.357 25 H HA -0.097 4.459 4.556 -0.000 0.000 0.301 25 H C 1.918 177.309 175.328 0.106 0.000 1.082 25 H CA 2.225 58.369 56.048 0.161 0.000 1.342 25 H CB 0.070 30.000 29.762 0.280 0.000 1.389 25 H HN 0.411 nan 8.280 nan 0.000 0.511 26 T N -1.693 112.923 114.554 0.104 0.000 3.007 26 T HA -0.018 4.332 4.350 -0.000 0.000 0.270 26 T C 2.056 176.766 174.700 0.017 0.000 1.107 26 T CA 1.053 63.192 62.100 0.065 0.000 1.118 26 T CB -0.511 68.342 68.868 -0.024 0.000 0.889 26 T HN 0.102 nan 8.240 nan 0.000 0.506 27 V N 0.578 120.493 119.914 0.002 0.000 2.949 27 V HA 0.354 4.474 4.120 -0.000 0.000 0.245 27 V C 2.015 178.106 176.094 -0.005 0.000 1.086 27 V CA 0.686 62.986 62.300 -0.000 0.000 1.097 27 V CB -0.411 31.412 31.823 -0.000 0.000 0.762 27 V HN 0.678 nan 8.190 nan 0.000 0.470 28 G N -0.623 108.169 108.800 -0.013 0.000 2.508 28 G HA2 0.183 4.143 3.960 -0.000 0.000 0.278 28 G HA3 0.183 4.143 3.960 -0.000 0.000 0.278 28 G C 0.494 175.371 174.900 -0.039 0.000 1.389 28 G CA -0.372 44.712 45.100 -0.027 0.000 1.050 28 G HN 0.232 nan 8.290 nan 0.000 0.522 29 K N -0.923 119.441 120.400 -0.060 0.000 2.487 29 K HA 0.054 4.374 4.320 -0.000 0.000 0.192 29 K C 0.861 177.498 176.600 0.061 0.000 1.027 29 K CA 0.264 56.535 56.287 -0.025 0.000 1.054 29 K CB 0.072 32.546 32.500 -0.044 0.000 0.824 29 K HN 0.545 nan 8.250 nan 0.000 0.510 30 H N -0.849 118.162 119.070 -0.098 0.000 2.505 30 H HA 0.204 4.760 4.556 -0.000 0.000 0.286 30 H C 1.535 176.644 175.328 -0.364 0.000 1.072 30 H CA -0.348 55.611 56.048 -0.149 0.000 1.141 30 H CB 0.705 30.415 29.762 -0.086 0.000 1.550 30 H HN 0.178 nan 8.280 nan 0.000 0.547 31 A N 0.727 123.440 122.820 -0.180 0.000 2.024 31 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 31 A C 2.354 179.953 177.584 0.025 0.000 1.164 31 A CA 2.002 53.929 52.037 -0.182 0.000 0.643 31 A CB -0.596 18.392 19.000 -0.020 0.000 0.806 31 A HN 0.476 nan 8.150 nan 0.000 0.451 32 T N -3.538 111.039 114.554 0.038 0.000 3.086 32 T HA 0.340 4.690 4.350 -0.000 0.000 0.250 32 T C 0.185 174.939 174.700 0.091 0.000 1.074 32 T CA 0.161 62.311 62.100 0.083 0.000 0.988 32 T CB -0.218 68.677 68.868 0.046 0.000 0.988 32 T HN -0.021 nan 8.240 nan 0.000 0.530 33 V N 3.573 123.538 119.914 0.084 0.000 2.368 33 V HA 0.269 4.388 4.120 -0.000 0.000 0.266 33 V C 0.557 176.802 176.094 0.252 0.000 1.045 33 V CA -1.223 61.103 62.300 0.043 0.000 0.899 33 V CB 0.486 32.178 31.823 -0.218 0.000 1.006 33 V HN 0.529 nan 8.190 nan 0.000 0.470 34 N N 3.076 121.921 118.700 0.242 0.000 2.508 34 N HA 0.015 4.755 4.740 -0.000 0.000 0.264 34 N C 1.217 176.836 175.510 0.182 0.000 1.216 34 N CA -0.318 52.847 53.050 0.191 0.000 0.943 34 N CB 1.406 39.967 38.487 0.123 0.000 1.113 34 N HN 0.770 nan 8.380 nan 0.000 0.447 35 C N 1.722 121.067 119.300 0.076 0.000 2.403 35 C HA -0.101 4.359 4.460 -0.000 0.000 0.282 35 C C 2.652 177.702 174.990 0.101 0.000 1.297 35 C CA -0.006 59.078 59.018 0.110 0.000 1.785 35 C CB -1.281 26.470 27.740 0.019 0.000 1.963 35 C HN 0.678 nan 8.230 nan 0.000 0.507 36 V N 0.663 120.586 119.914 0.014 0.000 2.720 36 V HA -0.201 3.919 4.120 -0.000 0.000 0.256 36 V C 2.480 178.497 176.094 -0.129 0.000 1.082 36 V CA 1.786 64.049 62.300 -0.063 0.000 1.101 36 V CB -0.867 30.883 31.823 -0.123 0.000 0.693 36 V HN 0.630 nan 8.190 nan 0.000 0.479 37 H N -1.326 117.715 119.070 -0.048 0.000 2.489 37 H HA -0.078 4.478 4.556 -0.000 0.000 0.293 37 H C 1.851 177.106 175.328 -0.122 0.000 1.066 37 H CA 1.874 57.871 56.048 -0.086 0.000 1.305 37 H CB 0.107 29.808 29.762 -0.101 0.000 1.386 37 H HN 0.553 nan 8.280 nan 0.000 0.551 38 C N -0.937 118.322 119.300 -0.069 0.000 4.027 38 C HA 0.218 4.678 4.460 -0.000 0.000 0.351 38 C C 0.279 175.017 174.990 -0.422 0.000 1.634 38 C CA -0.428 58.431 59.018 -0.266 0.000 1.897 38 C CB 0.369 27.874 27.740 -0.391 0.000 2.949 38 C HN 0.407 nan 8.230 nan 0.000 0.684 39 H N 0.951 120.010 119.070 -0.019 0.000 2.679 39 H HA 0.397 4.953 4.556 -0.000 0.000 0.360 39 H C -1.680 173.628 175.328 -0.032 0.000 1.105 39 H CA -0.098 55.931 56.048 -0.031 0.000 1.196 39 H CB 1.845 31.583 29.762 -0.039 0.000 1.636 39 H HN 0.060 nan 8.280 nan 0.000 0.531 40 D N 1.976 122.433 120.400 0.095 0.000 2.460 40 D HA 0.384 5.024 4.640 -0.000 0.000 0.232 40 D C -0.091 176.243 176.300 0.056 0.000 1.079 40 D CA -0.487 53.543 54.000 0.049 0.000 0.864 40 D CB 0.690 41.505 40.800 0.026 0.000 1.048 40 D HN 0.631 nan 8.370 nan 0.000 0.523 41 A N 2.925 125.782 122.820 0.061 0.000 2.571 41 A HA 0.174 4.494 4.320 -0.000 0.000 0.274 41 A C 1.681 179.321 177.584 0.093 0.000 1.196 41 A CA -0.160 51.936 52.037 0.097 0.000 0.957 41 A CB 0.092 19.163 19.000 0.118 0.000 1.150 41 A HN 0.493 nan 8.150 nan 0.000 0.539 42 T N 0.619 115.202 114.554 0.047 0.000 2.635 42 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 42 T C 1.660 176.377 174.700 0.029 0.000 1.040 42 T CA 2.038 64.152 62.100 0.024 0.000 1.156 42 T CB -0.203 68.670 68.868 0.008 0.000 0.863 42 T HN 0.653 nan 8.240 nan 0.000 0.430 43 E N -0.184 120.042 120.200 0.043 0.000 2.150 43 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 43 E C 2.137 178.779 176.600 0.069 0.000 0.985 43 E CA 1.036 57.461 56.400 0.042 0.000 0.814 43 E CB -0.227 29.496 29.700 0.038 0.000 0.752 43 E HN 0.577 nan 8.360 nan 0.000 0.466 44 H N 1.081 120.146 119.070 -0.007 0.000 2.290 44 H HA -0.119 4.437 4.556 -0.000 0.000 0.298 44 H C 1.984 177.307 175.328 -0.008 0.000 1.087 44 H CA 1.824 57.869 56.048 -0.005 0.000 1.291 44 H CB -0.373 29.388 29.762 -0.002 0.000 1.369 44 H HN -0.073 nan 8.280 nan 0.000 0.492 45 V N 0.920 120.762 119.914 -0.119 0.000 2.407 45 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 45 V C 2.182 178.201 176.094 -0.125 0.000 1.055 45 V CA 2.200 64.388 62.300 -0.187 0.000 1.049 45 V CB -0.497 31.269 31.823 -0.095 0.000 0.662 45 V HN 0.525 nan 8.190 nan 0.000 0.455 46 E N 0.141 120.301 120.200 -0.066 0.000 2.204 46 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 46 E C 2.042 178.611 176.600 -0.052 0.000 0.990 46 E CA 1.734 58.105 56.400 -0.048 0.000 0.821 46 E CB -0.049 29.637 29.700 -0.023 0.000 0.750 46 E HN 0.833 nan 8.360 nan 0.000 0.477 47 T N -3.106 111.411 114.554 -0.061 0.000 2.975 47 T HA 0.426 4.776 4.350 -0.000 0.000 0.261 47 T C 0.576 175.238 174.700 -0.063 0.000 0.984 47 T CA -0.063 62.012 62.100 -0.043 0.000 0.911 47 T CB 0.536 69.401 68.868 -0.006 0.000 1.127 47 T HN 0.082 nan 8.240 nan 0.000 0.514 48 A N 2.074 124.813 122.820 -0.135 0.000 2.332 48 A HA 0.745 5.065 4.320 -0.000 0.000 0.258 48 A C 0.596 178.107 177.584 -0.121 0.000 1.087 48 A CA -0.220 51.726 52.037 -0.151 0.000 0.802 48 A CB 0.518 19.299 19.000 -0.366 0.000 1.042 48 A HN 0.743 nan 8.150 nan 0.000 0.489 49 S N -0.599 115.048 115.700 -0.088 0.000 2.715 49 S HA 0.477 4.947 4.470 -0.000 0.000 0.307 49 S C 0.955 175.501 174.600 -0.090 0.000 1.119 49 S CA 0.166 58.316 58.200 -0.082 0.000 0.937 49 S CB 1.110 64.277 63.200 -0.055 0.000 1.150 49 S HN 1.587 nan 8.310 nan 0.000 0.521 50 S N 0.208 115.855 115.700 -0.088 0.000 2.500 50 S HA -0.024 4.446 4.470 -0.000 0.000 0.239 50 S C 1.147 175.705 174.600 -0.070 0.000 0.989 50 S CA 0.524 58.666 58.200 -0.098 0.000 0.951 50 S CB -0.554 62.598 63.200 -0.081 0.000 0.759 50 S HN 0.756 nan 8.310 nan 0.000 0.523 51 R N 0.224 120.695 120.500 -0.049 0.000 2.535 51 R HA 0.362 4.702 4.340 -0.000 0.000 0.323 51 R C 0.220 176.508 176.300 -0.020 0.000 0.979 51 R CA -0.169 55.912 56.100 -0.031 0.000 1.120 51 R CB 0.635 30.919 30.300 -0.027 0.000 1.306 51 R HN 0.296 nan 8.270 nan 0.000 0.540 52 R N 0.920 121.409 120.500 -0.019 0.000 2.512 52 R HA 0.212 4.552 4.340 -0.000 0.000 0.291 52 R C 0.360 176.671 176.300 0.019 0.000 1.097 52 R CA -0.261 55.836 56.100 -0.005 0.000 0.940 52 R CB 1.148 31.440 30.300 -0.013 0.000 1.198 52 R HN 0.018 nan 8.270 nan 0.000 0.429 53 M N 3.100 122.730 119.600 0.051 0.000 2.149 53 M HA -0.050 4.430 4.480 -0.000 0.000 0.261 53 M C 1.021 177.421 176.300 0.166 0.000 1.064 53 M CA 2.667 58.050 55.300 0.138 0.000 1.102 53 M CB -0.268 32.381 32.600 0.081 0.000 1.369 53 M HN 1.004 nan 8.290 nan 0.000 0.408 54 G N 0.448 109.294 108.800 0.077 0.000 2.547 54 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.271 54 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.271 54 G C -0.727 174.228 174.900 0.091 0.000 1.209 54 G CA 0.034 45.172 45.100 0.065 0.000 0.959 54 G HN 0.520 nan 8.290 nan 0.000 0.563 55 E N 1.270 121.529 120.200 0.099 0.000 2.414 55 E HA 0.192 4.542 4.350 -0.000 0.000 0.263 55 E C 1.096 177.750 176.600 0.090 0.000 1.000 55 E CA -0.173 56.276 56.400 0.080 0.000 0.914 55 E CB 0.610 30.350 29.700 0.067 0.000 0.948 55 E HN 0.547 nan 8.360 nan 0.000 0.444 56 R N 4.275 124.784 120.500 0.015 0.000 2.370 56 R HA 0.121 4.461 4.340 -0.000 0.000 0.309 56 R C -1.960 174.296 176.300 -0.074 0.000 1.059 56 R CA -1.220 54.846 56.100 -0.057 0.000 0.981 56 R CB 0.311 30.585 30.300 -0.043 0.000 0.972 56 R HN 0.257 nan 8.270 nan 0.000 0.437 57 P HA 0.044 nan 4.420 nan 0.000 0.274 57 P C -0.726 176.550 177.300 -0.041 0.000 1.231 57 P CA -0.332 62.698 63.100 -0.117 0.000 0.790 57 P CB 0.946 32.489 31.700 -0.262 0.000 0.951 58 V N 2.092 122.018 119.914 0.020 0.000 2.546 58 V HA 0.282 4.402 4.120 -0.000 0.000 0.284 58 V C 0.640 176.788 176.094 0.090 0.000 1.050 58 V CA 0.194 62.521 62.300 0.045 0.000 0.981 58 V CB 1.044 32.890 31.823 0.039 0.000 0.990 58 V HN 0.600 nan 8.190 nan 0.000 0.474 59 T N 5.369 119.970 114.554 0.078 0.000 2.792 59 T HA 0.436 4.786 4.350 -0.000 0.000 0.280 59 T C -0.087 174.592 174.700 -0.035 0.000 0.990 59 T CA -0.642 61.478 62.100 0.033 0.000 0.960 59 T CB 0.893 69.805 68.868 0.073 0.000 0.939 59 T HN 0.543 nan 8.240 nan 0.000 0.439 60 R N 2.830 123.264 120.500 -0.110 0.000 2.347 60 R HA 0.287 4.627 4.340 -0.000 0.000 0.304 60 R C 0.308 176.596 176.300 -0.020 0.000 1.072 60 R CA -0.305 55.765 56.100 -0.051 0.000 0.980 60 R CB 0.492 30.747 30.300 -0.075 0.000 0.986 60 R HN 0.469 nan 8.270 nan 0.000 0.448 61 M N 1.064 120.719 119.600 0.091 0.000 2.337 61 M HA 0.007 4.487 4.480 -0.000 0.000 0.256 61 M C -0.229 176.110 176.300 0.064 0.000 1.075 61 M CA 0.194 55.652 55.300 0.263 0.000 1.024 61 M CB 0.210 33.031 32.600 0.368 0.000 1.429 61 M HN 0.518 nan 8.290 nan 0.000 0.497 62 D N 0.264 120.525 120.400 -0.230 0.000 2.399 62 D HA 0.004 4.644 4.640 -0.000 0.000 0.241 62 D C 0.696 176.816 176.300 -0.299 0.000 1.133 62 D CA -0.099 53.490 54.000 -0.684 0.000 0.890 62 D CB 1.563 42.069 40.800 -0.490 0.000 1.201 62 D HN 0.043 nan 8.370 nan 0.000 0.432 63 L N 1.410 122.480 121.223 -0.254 0.000 2.291 63 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 63 L C 2.371 179.176 176.870 -0.108 0.000 1.120 63 L CA 1.224 56.032 54.840 -0.053 0.000 0.799 63 L CB -0.736 41.413 42.059 0.150 0.000 0.925 63 L HN 0.506 nan 8.230 nan 0.000 0.446 64 E N -0.306 119.754 120.200 -0.233 0.000 2.338 64 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 64 E C 2.277 178.739 176.600 -0.229 0.000 1.007 64 E CA 0.680 56.858 56.400 -0.371 0.000 0.849 64 E CB -0.098 29.406 29.700 -0.327 0.000 0.774 64 E HN 0.526 nan 8.360 nan 0.000 0.506 65 A N 0.479 123.212 122.820 -0.144 0.000 1.978 65 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 65 A C 2.240 179.773 177.584 -0.084 0.000 1.170 65 A CA 1.215 53.200 52.037 -0.087 0.000 0.636 65 A CB -0.513 18.452 19.000 -0.059 0.000 0.810 65 A HN 0.377 nan 8.150 nan 0.000 0.448 66 C N -1.662 117.596 119.300 -0.069 0.000 2.527 66 C HA 0.403 4.863 4.460 -0.000 0.000 0.280 66 C C 3.085 178.035 174.990 -0.068 0.000 1.353 66 C CA -0.010 59.000 59.018 -0.013 0.000 1.749 66 C CB -0.948 26.842 27.740 0.083 0.000 2.088 66 C HN 0.698 nan 8.230 nan 0.000 0.508 67 A N 0.465 123.175 122.820 -0.184 0.000 2.067 67 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 67 A C 2.200 179.642 177.584 -0.237 0.000 1.158 67 A CA 2.191 54.059 52.037 -0.282 0.000 0.661 67 A CB -0.951 17.522 19.000 -0.878 0.000 0.801 67 A HN 0.500 nan 8.150 nan 0.000 0.452 68 T N -1.651 112.770 114.554 -0.222 0.000 2.759 68 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 68 T C 1.520 176.093 174.700 -0.212 0.000 1.042 68 T CA 2.080 64.070 62.100 -0.183 0.000 1.140 68 T CB -0.453 68.342 68.868 -0.122 0.000 0.864 68 T HN 0.544 nan 8.240 nan 0.000 0.455 69 C N 0.112 119.219 119.300 -0.321 0.000 3.070 69 C HA 0.360 4.820 4.460 -0.000 0.000 0.280 69 C C 0.655 175.337 174.990 -0.514 0.000 1.264 69 C CA -0.653 58.090 59.018 -0.458 0.000 1.690 69 C CB -0.602 26.741 27.740 -0.662 0.000 2.049 69 C HN 0.538 nan 8.230 nan 0.000 0.636 70 H N 0.213 119.215 119.070 -0.112 0.000 2.624 70 H HA 0.173 4.729 4.556 -0.000 0.000 0.233 70 H C 1.064 176.338 175.328 -0.089 0.000 1.376 70 H CA -0.122 55.861 56.048 -0.107 0.000 1.137 70 H CB -0.107 29.594 29.762 -0.103 0.000 1.867 70 H HN 0.163 nan 8.280 nan 0.000 0.547 71 T N 0.277 114.818 114.554 -0.022 0.000 2.759 71 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 71 T C 2.291 176.996 174.700 0.008 0.000 1.042 71 T CA 1.492 63.593 62.100 0.002 0.000 1.140 71 T CB 0.164 69.009 68.868 -0.038 0.000 0.864 71 T HN 0.551 nan 8.240 nan 0.000 0.455 72 A N 1.277 124.012 122.820 -0.142 0.000 1.877 72 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 72 A C 2.313 179.755 177.584 -0.236 0.000 1.186 72 A CA 1.644 53.472 52.037 -0.348 0.000 0.620 72 A CB -0.663 17.823 19.000 -0.858 0.000 0.822 72 A HN 0.420 nan 8.150 nan 0.000 0.443 73 Q N -1.444 118.247 119.800 -0.181 0.000 2.079 73 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 73 Q C 1.788 177.760 176.000 -0.046 0.000 0.974 73 Q CA 1.653 57.348 55.803 -0.180 0.000 0.840 73 Q CB -0.522 27.929 28.738 -0.479 0.000 0.898 73 Q HN 0.747 nan 8.270 nan 0.000 0.430 74 F N 1.138 121.036 119.950 -0.086 0.000 2.102 74 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 74 F C 1.587 177.437 175.800 0.083 0.000 1.105 74 F CA 1.309 59.318 58.000 0.015 0.000 1.239 74 F CB -0.136 38.856 39.000 -0.012 0.000 0.991 74 F HN 0.058 nan 8.300 nan 0.000 0.474 75 N N 0.383 119.161 118.700 0.131 0.000 2.166 75 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 75 N C 2.195 177.681 175.510 -0.040 0.000 1.019 75 N CA 1.649 54.714 53.050 0.025 0.000 0.856 75 N CB -0.743 37.799 38.487 0.092 0.000 0.993 75 N HN 0.496 nan 8.380 nan 0.000 0.426 76 S N 0.141 115.870 115.700 0.047 0.000 2.368 76 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 76 S C 2.003 176.630 174.600 0.045 0.000 1.030 76 S CA 0.671 58.930 58.200 0.098 0.000 0.999 76 S CB -0.897 62.462 63.200 0.266 0.000 0.844 76 S HN 0.351 nan 8.310 nan 0.000 0.459 77 F N 2.155 122.057 119.950 -0.079 0.000 2.134 77 F HA 0.029 4.556 4.527 -0.000 0.000 0.299 77 F C 2.284 177.939 175.800 -0.241 0.000 1.097 77 F CA 1.472 59.401 58.000 -0.118 0.000 1.264 77 F CB -0.608 38.302 39.000 -0.149 0.000 1.001 77 F HN 0.176 nan 8.300 nan 0.000 0.479 78 V N 0.777 120.331 119.914 -0.601 0.000 3.461 78 V HA -0.029 4.091 4.120 -0.000 0.000 0.267 78 V C 0.786 176.585 176.094 -0.492 0.000 1.186 78 V CA 0.341 62.226 62.300 -0.693 0.000 1.154 78 V CB -0.940 30.511 31.823 -0.620 0.000 0.802 78 V HN 0.331 nan 8.190 nan 0.000 0.474 79 E N 0.444 120.427 120.200 -0.361 0.000 2.502 79 E HA 0.016 4.366 4.350 -0.000 0.000 0.261 79 E C -0.684 175.721 176.600 -0.324 0.000 0.974 79 E CA -0.033 56.207 56.400 -0.266 0.000 0.936 79 E CB 0.861 30.454 29.700 -0.178 0.000 0.926 79 E HN 0.276 nan 8.360 nan 0.000 0.459 80 V N 5.922 125.647 119.914 -0.315 0.000 2.407 80 V HA 0.193 4.313 4.120 -0.000 0.000 0.278 80 V C 0.457 176.289 176.094 -0.436 0.000 1.037 80 V CA -0.352 61.745 62.300 -0.338 0.000 0.900 80 V CB 1.254 32.916 31.823 -0.268 0.000 0.983 80 V HN 0.620 nan 8.190 nan 0.000 0.459 81 R N 2.951 123.277 120.500 -0.289 0.000 2.325 81 R HA 0.216 4.556 4.340 -0.000 0.000 0.323 81 R C 0.778 176.947 176.300 -0.219 0.000 1.177 81 R CA -0.112 55.843 56.100 -0.243 0.000 1.018 81 R CB -0.047 30.149 30.300 -0.172 0.000 1.070 81 R HN 0.825 nan 8.270 nan 0.000 0.495 82 H N 1.705 120.746 119.070 -0.048 0.000 2.456 82 H HA -0.109 4.447 4.556 -0.000 0.000 0.296 82 H C 0.906 176.176 175.328 -0.095 0.000 1.079 82 H CA 1.402 57.420 56.048 -0.049 0.000 1.322 82 H CB 0.500 30.244 29.762 -0.030 0.000 1.388 82 H HN 0.627 nan 8.280 nan 0.000 0.538 83 E N 0.304 120.479 120.200 -0.043 0.000 2.347 83 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 83 E C 0.295 176.658 176.600 -0.396 0.000 1.008 83 E CA 0.318 56.613 56.400 -0.174 0.000 0.852 83 E CB 0.311 29.932 29.700 -0.131 0.000 0.783 83 E HN 0.120 nan 8.360 nan 0.000 0.505 84 S N 2.114 117.652 115.700 -0.270 0.000 2.494 84 S HA 0.057 4.527 4.470 -0.000 0.000 0.312 84 S C -0.448 174.020 174.600 -0.219 0.000 1.121 84 S CA -0.450 57.585 58.200 -0.275 0.000 1.068 84 S CB -0.186 62.916 63.200 -0.162 0.000 1.141 84 S HN 0.231 nan 8.310 nan 0.000 0.527 85 H N 4.578 123.622 119.070 -0.043 0.000 3.094 85 H HA 0.094 4.650 4.556 -0.000 0.000 0.320 85 H C -2.061 173.232 175.328 -0.060 0.000 1.000 85 H CA -1.107 54.914 56.048 -0.045 0.000 1.413 85 H CB -0.320 29.415 29.762 -0.045 0.000 1.405 85 H HN 0.376 nan 8.280 nan 0.000 0.586 86 P HA 0.189 nan 4.420 nan 0.000 0.286 86 P C 0.102 177.397 177.300 -0.008 0.000 1.261 86 P CA -0.719 62.359 63.100 -0.037 0.000 0.821 86 P CB 1.048 32.679 31.700 -0.114 0.000 1.013 87 R N -0.009 120.482 120.500 -0.016 0.000 3.516 87 R HA -0.136 4.204 4.340 -0.000 0.000 0.271 87 R C -0.631 175.680 176.300 0.018 0.000 1.098 87 R CA 0.259 56.370 56.100 0.018 0.000 0.732 87 R CB -2.017 28.317 30.300 0.057 0.000 1.152 87 R HN 0.421 nan 8.270 nan 0.000 0.455 88 L N 1.799 123.024 121.223 0.002 0.000 2.261 88 L HA 0.337 4.677 4.340 -0.000 0.000 0.289 88 L C 0.085 176.936 176.870 -0.031 0.000 1.059 88 L CA -0.299 54.535 54.840 -0.010 0.000 0.816 88 L CB 1.019 43.079 42.059 0.002 0.000 1.191 88 L HN 0.282 nan 8.230 nan 0.000 0.431 89 E N 3.855 124.047 120.200 -0.014 0.000 2.366 89 E HA -0.001 4.349 4.350 -0.000 0.000 0.266 89 E C 0.677 177.252 176.600 -0.042 0.000 1.015 89 E CA 0.467 56.862 56.400 -0.009 0.000 0.906 89 E CB 0.802 30.526 29.700 0.040 0.000 0.979 89 E HN 0.535 nan 8.360 nan 0.000 0.443 90 K N 3.164 123.494 120.400 -0.117 0.000 2.217 90 K HA 0.015 4.335 4.320 -0.000 0.000 0.202 90 K C 0.706 177.287 176.600 -0.031 0.000 1.051 90 K CA 1.003 57.193 56.287 -0.162 0.000 0.952 90 K CB 0.131 32.377 32.500 -0.424 0.000 0.736 90 K HN 0.505 nan 8.250 nan 0.000 0.453 91 A N 2.241 125.108 122.820 0.078 0.000 2.916 91 A HA 0.056 4.376 4.320 -0.000 0.000 0.254 91 A C 0.068 177.734 177.584 0.138 0.000 1.544 91 A CA -0.073 52.090 52.037 0.210 0.000 1.224 91 A CB -0.816 18.403 19.000 0.366 0.000 1.012 91 A HN 0.261 nan 8.150 nan 0.000 0.636 92 T N -4.645 109.963 114.554 0.091 0.000 2.906 92 T HA 0.581 4.931 4.350 -0.000 0.000 0.295 92 T C -2.534 172.206 174.700 0.067 0.000 1.075 92 T CA -1.791 60.348 62.100 0.065 0.000 1.005 92 T CB 1.885 70.772 68.868 0.032 0.000 1.136 92 T HN -0.069 nan 8.240 nan 0.000 0.498 93 P HA -0.000 nan 4.420 nan 0.000 0.225 93 P C 1.302 178.637 177.300 0.059 0.000 1.148 93 P CA 0.983 64.120 63.100 0.062 0.000 0.779 93 P CB -0.122 31.603 31.700 0.041 0.000 0.780 94 T N -6.136 108.435 114.554 0.029 0.000 3.069 94 T HA 0.229 4.579 4.350 -0.000 0.000 0.252 94 T C 0.957 175.650 174.700 -0.013 0.000 1.053 94 T CA -0.149 61.952 62.100 0.002 0.000 0.964 94 T CB -0.124 68.727 68.868 -0.027 0.000 1.005 94 T HN -0.058 nan 8.240 nan 0.000 0.532 95 S N -0.171 115.536 115.700 0.011 0.000 2.702 95 S HA 0.440 4.910 4.470 -0.000 0.000 0.272 95 S C 1.305 175.930 174.600 0.043 0.000 1.068 95 S CA -0.839 57.357 58.200 -0.006 0.000 0.964 95 S CB 0.928 64.112 63.200 -0.026 0.000 1.307 95 S HN 0.072 nan 8.310 nan 0.000 0.567 96 R N 0.734 121.245 120.500 0.019 0.000 2.115 96 R HA 0.156 4.496 4.340 -0.000 0.000 0.226 96 R C 0.460 176.867 176.300 0.179 0.000 1.100 96 R CA 0.582 56.727 56.100 0.075 0.000 0.980 96 R CB -0.864 29.420 30.300 -0.026 0.000 0.875 96 R HN 0.389 nan 8.270 nan 0.000 0.445 97 S N 0.415 116.202 115.700 0.145 0.000 2.312 97 S HA 0.328 4.798 4.470 -0.000 0.000 0.173 97 S C -2.239 172.521 174.600 0.267 0.000 1.488 97 S CA -1.392 56.968 58.200 0.266 0.000 1.239 97 S CB 1.137 64.504 63.200 0.278 0.000 1.215 97 S HN -0.148 nan 8.310 nan 0.000 0.438 98 P HA -0.021 nan 4.420 nan 0.000 0.219 98 P C 0.756 178.154 177.300 0.164 0.000 1.146 98 P CA 1.270 64.467 63.100 0.162 0.000 0.808 98 P CB 0.094 31.868 31.700 0.122 0.000 0.779 99 M N -3.355 116.354 119.600 0.181 0.000 2.560 99 M HA 0.162 4.642 4.480 -0.000 0.000 0.297 99 M C 0.877 177.299 176.300 0.203 0.000 1.201 99 M CA -0.280 55.093 55.300 0.123 0.000 0.973 99 M CB -0.132 32.471 32.600 0.005 0.000 1.401 99 M HN -0.155 nan 8.290 nan 0.000 0.497 100 F N 2.103 122.157 119.950 0.173 0.000 2.126 100 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 100 F C 1.919 177.842 175.800 0.205 0.000 1.096 100 F CA 1.905 60.068 58.000 0.271 0.000 1.255 100 F CB -0.068 39.113 39.000 0.301 0.000 0.997 100 F HN 0.250 nan 8.300 nan 0.000 0.479 101 D N 0.047 120.537 120.400 0.150 0.000 2.123 101 D HA -0.229 4.411 4.640 -0.000 0.000 0.196 101 D C 2.260 178.540 176.300 -0.033 0.000 0.992 101 D CA 1.411 55.412 54.000 0.002 0.000 0.833 101 D CB -0.239 40.584 40.800 0.038 0.000 0.954 101 D HN 0.335 nan 8.370 nan 0.000 0.455 102 K N 0.232 120.642 120.400 0.016 0.000 2.062 102 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 102 K C 2.080 178.761 176.600 0.135 0.000 1.051 102 K CA 0.563 56.873 56.287 0.039 0.000 0.941 102 K CB 0.049 32.556 32.500 0.012 0.000 0.719 102 K HN -0.043 nan 8.250 nan 0.000 0.440 103 L N 0.642 121.910 121.223 0.076 0.000 2.240 103 L HA -0.021 4.319 4.340 -0.000 0.000 0.211 103 L C 1.885 178.969 176.870 0.357 0.000 1.106 103 L CA 1.017 55.947 54.840 0.149 0.000 0.793 103 L CB -0.128 41.811 42.059 -0.200 0.000 0.927 103 L HN 0.203 nan 8.230 nan 0.000 0.446 104 I N -0.618 119.975 120.570 0.039 0.000 3.956 104 I HA 0.261 4.431 4.170 -0.000 0.000 0.333 104 I C 1.109 177.159 176.117 -0.112 0.000 1.302 104 I CA -0.386 60.853 61.300 -0.101 0.000 1.122 104 I CB -0.414 37.090 38.000 -0.826 0.000 1.013 104 I HN 0.018 nan 8.210 nan 0.000 0.405 105 A N 0.421 123.159 122.820 -0.137 0.000 2.580 105 A HA 0.388 4.708 4.320 -0.000 0.000 0.244 105 A C 1.569 179.035 177.584 -0.197 0.000 1.045 105 A CA 0.887 52.781 52.037 -0.238 0.000 0.761 105 A CB -0.820 18.003 19.000 -0.294 0.000 0.962 105 A HN 0.964 nan 8.150 nan 0.000 0.512 106 G N 0.843 109.590 108.800 -0.088 0.000 2.238 106 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 106 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 106 G C 0.254 175.166 174.900 0.020 0.000 0.996 106 G CA 0.342 45.483 45.100 0.068 0.000 0.632 106 G HN 1.238 nan 8.290 nan 0.000 0.503 107 H N 0.804 119.635 119.070 -0.399 0.000 2.502 107 H HA 0.495 5.051 4.556 -0.000 0.000 0.338 107 H C 1.657 176.920 175.328 -0.108 0.000 1.155 107 H CA 0.374 56.094 56.048 -0.547 0.000 1.237 107 H CB 1.370 30.380 29.762 -1.253 0.000 1.534 107 H HN 0.145 nan 8.280 nan 0.000 0.523 108 G N 2.769 111.381 108.800 -0.312 0.000 2.479 108 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 108 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 108 G C 1.007 176.181 174.900 0.457 0.000 1.115 108 G CA 0.180 45.372 45.100 0.154 0.000 0.757 108 G HN 0.508 nan 8.290 nan 0.000 0.560 109 F N 1.668 121.816 119.950 0.329 0.000 2.451 109 F HA 0.125 4.652 4.527 -0.000 0.000 0.299 109 F C 2.792 178.761 175.800 0.281 0.000 1.101 109 F CA 0.037 58.221 58.000 0.306 0.000 1.436 109 F CB -0.307 38.865 39.000 0.288 0.000 1.074 109 F HN 0.241 nan 8.300 nan 0.000 0.553 110 A N -0.802 122.171 122.820 0.256 0.000 2.070 110 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 110 A C 1.947 179.497 177.584 -0.055 0.000 1.159 110 A CA 1.237 53.284 52.037 0.017 0.000 0.656 110 A CB -1.189 17.685 19.000 -0.209 0.000 0.800 110 A HN 0.328 nan 8.150 nan 0.000 0.453 111 F N -0.892 119.127 119.950 0.115 0.000 2.259 111 F HA 0.176 4.703 4.527 -0.000 0.000 0.298 111 F C 1.030 176.884 175.800 0.091 0.000 1.088 111 F CA 1.407 59.456 58.000 0.081 0.000 1.358 111 F CB 0.307 39.334 39.000 0.045 0.000 1.040 111 F HN 0.347 nan 8.300 nan 0.000 0.505 112 E N -1.333 119.021 120.200 0.257 0.000 2.745 112 E HA 0.121 4.470 4.350 -0.000 0.000 0.306 112 E C -1.867 174.829 176.600 0.160 0.000 1.090 112 E CA -0.524 55.987 56.400 0.186 0.000 0.893 112 E CB 0.560 30.344 29.700 0.139 0.000 1.205 112 E HN 0.020 nan 8.360 nan 0.000 0.438 113 H N 2.484 121.578 119.070 0.040 0.000 3.162 113 H HA 0.631 5.187 4.556 -0.000 0.000 0.309 113 H C -1.619 173.687 175.328 -0.036 0.000 1.156 113 H CA 0.328 56.342 56.048 -0.057 0.000 1.586 113 H CB 0.812 30.619 29.762 0.075 0.000 1.740 113 H HN 0.605 nan 8.280 nan 0.000 0.525 114 A N 3.734 126.524 122.820 -0.050 0.000 2.264 114 A HA 0.457 4.777 4.320 -0.000 0.000 0.304 114 A C 0.113 177.578 177.584 -0.199 0.000 1.100 114 A CA -0.711 51.259 52.037 -0.111 0.000 0.839 114 A CB 0.598 19.585 19.000 -0.023 0.000 1.121 114 A HN 0.801 nan 8.150 nan 0.000 0.496 115 E N 1.289 121.397 120.200 -0.155 0.000 2.404 115 E HA 0.228 4.578 4.350 -0.000 0.000 0.261 115 E C -2.049 174.515 176.600 -0.061 0.000 1.074 115 E CA -1.213 55.114 56.400 -0.123 0.000 0.917 115 E CB 0.059 29.713 29.700 -0.076 0.000 0.965 115 E HN 0.489 nan 8.360 nan 0.000 0.433 116 P HA 0.072 nan 4.420 nan 0.000 0.274 116 P C -0.753 176.527 177.300 -0.033 0.000 1.231 116 P CA 0.005 63.095 63.100 -0.017 0.000 0.790 116 P CB 0.902 32.599 31.700 -0.005 0.000 0.951 117 R N -0.347 120.144 120.500 -0.014 0.000 3.150 117 R HA 0.628 4.968 4.340 -0.000 0.000 0.236 117 R C -0.267 176.036 176.300 0.004 0.000 1.469 117 R CA -0.956 55.134 56.100 -0.017 0.000 1.045 117 R CB -0.224 30.063 30.300 -0.022 0.000 1.481 117 R HN 0.218 nan 8.270 nan 0.000 0.506 118 S N 0.122 115.849 115.700 0.045 0.000 2.563 118 S HA -0.017 4.453 4.470 -0.000 0.000 0.284 118 S C 0.844 175.427 174.600 -0.028 0.000 1.331 118 S CA -0.220 57.942 58.200 -0.064 0.000 1.047 118 S CB 0.124 63.267 63.200 -0.095 0.000 0.859 118 S HN 0.610 nan 8.310 nan 0.000 0.514 119 H N 1.659 120.621 119.070 -0.180 0.000 2.426 119 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 119 H C 2.281 177.459 175.328 -0.249 0.000 1.107 119 H CA 1.011 56.962 56.048 -0.160 0.000 1.298 119 H CB -0.063 29.649 29.762 -0.083 0.000 1.377 119 H HN 0.752 nan 8.280 nan 0.000 0.519 120 A N 0.688 123.245 122.820 -0.439 0.000 2.042 120 A HA -0.203 4.117 4.320 -0.000 0.000 0.222 120 A C 1.439 178.772 177.584 -0.417 0.000 1.167 120 A CA 1.500 53.204 52.037 -0.555 0.000 0.649 120 A CB -0.651 17.820 19.000 -0.880 0.000 0.809 120 A HN 0.353 nan 8.150 nan 0.000 0.457 121 F N -0.148 119.765 119.950 -0.062 0.000 2.765 121 F HA 0.148 4.675 4.527 -0.000 0.000 0.302 121 F C 2.136 177.908 175.800 -0.047 0.000 1.111 121 F CA 0.462 58.447 58.000 -0.025 0.000 1.359 121 F CB -0.610 38.392 39.000 0.004 0.000 1.097 121 F HN 0.337 nan 8.300 nan 0.000 0.577 122 M N -1.382 118.258 119.600 0.067 0.000 2.159 122 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 122 M C 1.917 178.146 176.300 -0.119 0.000 1.063 122 M CA 1.847 57.143 55.300 -0.007 0.000 1.110 122 M CB -0.642 31.931 32.600 -0.046 0.000 1.374 122 M HN 0.244 nan 8.290 nan 0.000 0.411 123 L N 1.650 122.747 121.223 -0.210 0.000 2.068 123 L HA -0.037 4.303 4.340 -0.000 0.000 0.204 123 L C 2.643 179.189 176.870 -0.539 0.000 1.076 123 L CA 1.551 56.112 54.840 -0.464 0.000 0.753 123 L CB -0.621 41.152 42.059 -0.477 0.000 0.910 123 L HN 0.394 nan 8.230 nan 0.000 0.439 124 V N -2.998 116.750 119.914 -0.277 0.000 2.407 124 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 124 V C 2.098 178.083 176.094 -0.183 0.000 1.055 124 V CA 2.042 64.195 62.300 -0.245 0.000 1.049 124 V CB -1.149 30.583 31.823 -0.152 0.000 0.662 124 V HN 0.359 nan 8.190 nan 0.000 0.455 125 D N 0.009 120.390 120.400 -0.031 0.000 2.144 125 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 125 D C 2.028 178.321 176.300 -0.011 0.000 0.978 125 D CA 2.028 56.038 54.000 0.017 0.000 0.833 125 D CB -0.448 40.393 40.800 0.068 0.000 0.961 125 D HN 0.817 nan 8.370 nan 0.000 0.470 126 H N -0.216 118.767 119.070 -0.145 0.000 2.352 126 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 126 H C 1.729 177.107 175.328 0.083 0.000 1.097 126 H CA 1.564 57.543 56.048 -0.115 0.000 1.311 126 H CB -0.343 29.247 29.762 -0.286 0.000 1.377 126 H HN -0.006 nan 8.280 nan 0.000 0.504 127 F N 0.131 119.994 119.950 -0.146 0.000 2.186 127 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 127 F C 2.672 178.447 175.800 -0.042 0.000 1.090 127 F CA 1.340 59.219 58.000 -0.201 0.000 1.307 127 F CB -0.783 37.897 39.000 -0.533 0.000 1.019 127 F HN 0.323 nan 8.300 nan 0.000 0.489 128 V N -2.968 116.969 119.914 0.039 0.000 3.590 128 V HA 0.221 4.341 4.120 -0.000 0.000 0.265 128 V C 0.906 177.019 176.094 0.031 0.000 1.239 128 V CA -0.150 62.142 62.300 -0.015 0.000 1.117 128 V CB -0.606 31.094 31.823 -0.205 0.000 0.818 128 V HN -0.075 nan 8.190 nan 0.000 0.451 129 V N 2.446 122.380 119.914 0.034 0.000 2.788 129 V HA 0.041 4.161 4.120 -0.000 0.000 0.307 129 V C 1.576 177.695 176.094 0.042 0.000 1.069 129 V CA 0.867 63.187 62.300 0.033 0.000 1.173 129 V CB 0.945 32.769 31.823 0.001 0.000 0.925 129 V HN 0.562 nan 8.190 nan 0.000 0.492 130 D N 3.991 124.428 120.400 0.062 0.000 2.263 130 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 130 D C 1.953 178.273 176.300 0.032 0.000 0.971 130 D CA 1.594 55.639 54.000 0.074 0.000 0.867 130 D CB 0.000 40.882 40.800 0.136 0.000 0.929 130 D HN 0.813 nan 8.370 nan 0.000 0.492 131 R N -0.088 120.423 120.500 0.018 0.000 2.310 131 R HA 0.339 4.679 4.340 -0.000 0.000 0.202 131 R C 1.538 177.773 176.300 -0.108 0.000 0.933 131 R CA 0.657 56.741 56.100 -0.026 0.000 1.054 131 R CB 0.223 30.526 30.300 0.006 0.000 0.985 131 R HN 0.016 nan 8.270 nan 0.000 0.489 132 A N 0.467 123.222 122.820 -0.108 0.000 1.938 132 A HA 0.165 4.485 4.320 -0.000 0.000 0.207 132 A C 0.437 177.781 177.584 -0.400 0.000 1.292 132 A CA 0.261 52.147 52.037 -0.251 0.000 0.700 132 A CB 0.100 18.964 19.000 -0.227 0.000 0.947 132 A HN 0.373 nan 8.150 nan 0.000 0.476 133 Y N -0.673 119.590 120.300 -0.060 0.000 2.721 133 Y HA 0.429 4.979 4.550 -0.000 0.000 0.251 133 Y C 1.326 177.174 175.900 -0.087 0.000 1.136 133 Y CA -0.173 57.879 58.100 -0.080 0.000 1.142 133 Y CB 0.604 38.981 38.460 -0.137 0.000 1.212 133 Y HN 0.464 nan 8.280 nan 0.000 0.565 134 G N 0.309 109.125 108.800 0.025 0.000 2.203 134 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.263 134 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.263 134 G C 1.249 176.223 174.900 0.124 0.000 1.012 134 G CA 0.530 45.655 45.100 0.042 0.000 0.749 134 G HN 1.291 nan 8.290 nan 0.000 0.512 135 G N -0.875 107.959 108.800 0.057 0.000 2.148 135 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.254 135 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.254 135 G C 1.150 175.966 174.900 -0.140 0.000 0.981 135 G CA 1.414 46.525 45.100 0.018 0.000 0.670 135 G HN 1.231 nan 8.290 nan 0.000 0.528 136 R N -0.745 119.569 120.500 -0.311 0.000 2.091 136 R HA 0.062 4.402 4.340 -0.000 0.000 0.238 136 R C 0.473 176.341 176.300 -0.720 0.000 1.136 136 R CA 1.261 56.821 56.100 -0.901 0.000 0.959 136 R CB -0.161 29.503 30.300 -1.060 0.000 0.856 136 R HN 0.325 nan 8.270 nan 0.000 0.437 137 F N 1.037 120.835 119.950 -0.252 0.000 2.421 137 F HA 0.433 4.960 4.527 -0.000 0.000 0.337 137 F C 0.013 175.666 175.800 -0.244 0.000 1.105 137 F CA -0.672 57.176 58.000 -0.253 0.000 1.049 137 F CB 1.578 40.393 39.000 -0.307 0.000 1.139 137 F HN -0.031 nan 8.300 nan 0.000 0.479 138 Q N 1.738 121.497 119.800 -0.069 0.000 2.456 138 Q HA 0.389 4.729 4.340 -0.000 0.000 0.284 138 Q C -1.107 174.748 176.000 -0.243 0.000 1.061 138 Q CA -0.964 54.731 55.803 -0.180 0.000 0.799 138 Q CB 2.561 31.209 28.738 -0.149 0.000 1.445 138 Q HN 0.439 nan 8.270 nan 0.000 0.411 139 F N 1.437 121.250 119.950 -0.228 0.000 2.553 139 F HA 0.019 4.546 4.527 -0.000 0.000 0.356 139 F C 1.899 177.586 175.800 -0.187 0.000 1.142 139 F CA 0.567 58.441 58.000 -0.209 0.000 1.322 139 F CB 0.476 39.319 39.000 -0.262 0.000 1.126 139 F HN 0.433 nan 8.300 nan 0.000 0.599 140 K N 0.878 121.329 120.400 0.085 0.000 2.113 140 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 140 K C -0.001 176.609 176.600 0.016 0.000 1.047 140 K CA 1.838 58.148 56.287 0.037 0.000 0.928 140 K CB -0.297 32.237 32.500 0.057 0.000 0.716 140 K HN 0.787 nan 8.250 nan 0.000 0.446 141 N N -3.325 115.385 118.700 0.016 0.000 3.020 141 N HA 0.055 4.795 4.740 -0.000 0.000 0.248 141 N C -0.686 174.798 175.510 -0.043 0.000 1.480 141 N CA -0.856 52.193 53.050 -0.003 0.000 0.874 141 N CB -0.345 38.185 38.487 0.071 0.000 1.433 141 N HN -0.127 nan 8.380 nan 0.000 0.530 142 W N -0.166 121.142 121.300 0.012 0.000 2.611 142 W HA 0.097 4.757 4.660 -0.000 0.000 0.251 142 W C 1.590 178.048 176.519 -0.101 0.000 1.265 142 W CA 0.365 57.684 57.345 -0.043 0.000 1.295 142 W CB -0.119 29.322 29.460 -0.031 0.000 1.129 142 W HN 0.575 nan 8.180 nan 0.000 0.630 143 Q N 0.246 120.106 119.800 0.100 0.000 2.172 143 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 143 Q C 1.971 177.937 176.000 -0.056 0.000 0.964 143 Q CA 0.783 56.601 55.803 0.025 0.000 0.855 143 Q CB -0.260 28.500 28.738 0.037 0.000 0.918 143 Q HN 0.085 nan 8.270 nan 0.000 0.444 144 K N 0.826 121.173 120.400 -0.089 0.000 2.442 144 K HA -0.077 4.243 4.320 -0.000 0.000 0.198 144 K C 2.086 178.452 176.600 -0.391 0.000 1.042 144 K CA 0.951 57.172 56.287 -0.108 0.000 0.958 144 K CB -0.400 32.144 32.500 0.073 0.000 0.766 144 K HN 0.293 nan 8.250 nan 0.000 0.474 145 V N -0.170 119.328 119.914 -0.693 0.000 2.867 145 V HA -0.161 3.959 4.120 -0.000 0.000 0.260 145 V C 2.002 177.809 176.094 -0.477 0.000 1.099 145 V CA 2.142 63.863 62.300 -0.966 0.000 1.122 145 V CB -1.408 29.996 31.823 -0.699 0.000 0.708 145 V HN 0.324 nan 8.190 nan 0.000 0.490 146 T N -3.529 110.923 114.554 -0.170 0.000 3.065 146 T HA 0.067 4.417 4.350 -0.000 0.000 0.252 146 T C 0.825 175.682 174.700 0.262 0.000 1.099 146 T CA 0.623 62.755 62.100 0.053 0.000 1.063 146 T CB -0.304 68.589 68.868 0.043 0.000 0.948 146 T HN 0.465 nan 8.240 nan 0.000 0.506 147 D N 1.609 122.148 120.400 0.230 0.000 2.522 147 D HA 0.394 5.034 4.640 -0.000 0.000 0.218 147 D C 1.469 177.858 176.300 0.148 0.000 1.149 147 D CA -0.262 53.846 54.000 0.180 0.000 0.981 147 D CB 0.307 41.177 40.800 0.116 0.000 1.041 147 D HN 0.297 nan 8.370 nan 0.000 0.518 148 G N 2.540 111.308 108.800 -0.053 0.000 2.404 148 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.215 148 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.215 148 G C 1.336 176.051 174.900 -0.308 0.000 1.174 148 G CA 0.641 45.387 45.100 -0.590 0.000 0.780 148 G HN 0.459 nan 8.290 nan 0.000 0.537 149 M N 1.744 121.260 119.600 -0.140 0.000 2.117 149 M HA 0.106 4.586 4.480 -0.000 0.000 0.262 149 M C 2.451 178.762 176.300 0.019 0.000 1.065 149 M CA 1.946 57.224 55.300 -0.037 0.000 1.114 149 M CB -0.834 31.779 32.600 0.022 0.000 1.361 149 M HN 0.127 nan 8.290 nan 0.000 0.408 150 G N -0.821 107.995 108.800 0.027 0.000 2.421 150 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 150 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 150 G C 1.581 176.508 174.900 0.046 0.000 1.171 150 G CA 1.073 46.206 45.100 0.055 0.000 0.775 150 G HN 0.686 nan 8.290 nan 0.000 0.543 151 A N 0.120 122.957 122.820 0.027 0.000 1.908 151 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 151 A C 2.615 180.193 177.584 -0.011 0.000 1.181 151 A CA 2.002 54.041 52.037 0.004 0.000 0.627 151 A CB -0.713 18.287 19.000 0.001 0.000 0.818 151 A HN 0.283 nan 8.150 nan 0.000 0.445 152 V N -0.153 119.759 119.914 -0.004 0.000 2.358 152 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 152 V C 2.613 178.832 176.094 0.208 0.000 1.047 152 V CA 2.143 64.501 62.300 0.097 0.000 1.035 152 V CB -0.799 31.080 31.823 0.093 0.000 0.658 152 V HN 0.520 nan 8.190 nan 0.000 0.452 153 R N 0.116 120.716 120.500 0.166 0.000 2.105 153 R HA 0.059 4.399 4.340 -0.000 0.000 0.239 153 R C 0.931 177.360 176.300 0.215 0.000 1.135 153 R CA 1.199 57.410 56.100 0.185 0.000 0.967 153 R CB -0.167 30.204 30.300 0.119 0.000 0.861 153 R HN 0.579 nan 8.270 nan 0.000 0.442 154 G N -2.630 106.225 108.800 0.093 0.000 2.318 154 G HA2 0.301 4.261 3.960 -0.000 0.000 0.306 154 G HA3 0.301 4.261 3.960 -0.000 0.000 0.306 154 G C 0.000 174.812 174.900 -0.147 0.000 1.696 154 G CA -0.284 44.787 45.100 -0.048 0.000 0.905 154 G HN 0.070 nan 8.290 nan 0.000 0.700 155 A N 0.685 123.306 122.820 -0.333 0.000 1.917 155 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 155 A C 1.774 178.940 177.584 -0.696 0.000 1.182 155 A CA 2.107 53.796 52.037 -0.579 0.000 0.633 155 A CB -0.582 17.933 19.000 -0.809 0.000 0.819 155 A HN 0.955 nan 8.150 nan 0.000 0.448 156 W N 0.248 121.461 121.300 -0.144 0.000 3.077 156 W HA 0.063 4.723 4.660 -0.000 0.000 0.245 156 W C 2.281 178.745 176.519 -0.091 0.000 1.316 156 W CA 0.875 58.119 57.345 -0.168 0.000 1.537 156 W CB -0.352 28.987 29.460 -0.202 0.000 1.131 156 W HN 0.491 nan 8.180 nan 0.000 0.695 157 T N -2.771 111.811 114.554 0.047 0.000 3.067 157 T HA -0.082 4.268 4.350 -0.000 0.000 0.261 157 T C 1.410 176.138 174.700 0.047 0.000 1.110 157 T CA 1.284 63.418 62.100 0.057 0.000 1.113 157 T CB -0.471 68.430 68.868 0.054 0.000 0.917 157 T HN 0.103 nan 8.240 nan 0.000 0.499 158 V N -2.386 117.535 119.914 0.011 0.000 3.502 158 V HA 0.540 4.660 4.120 -0.000 0.000 0.288 158 V C 0.271 176.379 176.094 0.022 0.000 1.461 158 V CA -0.617 61.725 62.300 0.069 0.000 1.029 158 V CB -0.288 31.640 31.823 0.175 0.000 0.843 158 V HN 0.339 nan 8.190 nan 0.000 0.438 159 L N 1.731 122.889 121.223 -0.109 0.000 2.322 159 L HA 0.801 5.141 4.340 -0.000 0.000 0.269 159 L C 0.272 177.166 176.870 0.041 0.000 1.012 159 L CA -0.152 54.585 54.840 -0.171 0.000 0.815 159 L CB 2.158 43.920 42.059 -0.495 0.000 1.295 159 L HN 0.356 nan 8.230 nan 0.000 0.438 160 T N -3.286 111.295 114.554 0.045 0.000 2.932 160 T HA 0.449 4.799 4.350 -0.000 0.000 0.289 160 T C -1.011 173.784 174.700 0.158 0.000 1.039 160 T CA -0.790 61.362 62.100 0.087 0.000 1.024 160 T CB 2.418 71.293 68.868 0.012 0.000 1.090 160 T HN 0.453 nan 8.240 nan 0.000 0.496 161 D N 0.026 120.476 120.400 0.084 0.000 2.308 161 D HA 0.542 5.182 4.640 -0.000 0.000 0.242 161 D C 0.983 177.176 176.300 -0.177 0.000 1.059 161 D CA -0.709 53.307 54.000 0.027 0.000 0.830 161 D CB 1.763 42.561 40.800 -0.003 0.000 1.161 161 D HN 0.668 nan 8.370 nan 0.000 0.494 162 A N 3.556 126.131 122.820 -0.409 0.000 2.067 162 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 162 A C 0.741 178.156 177.584 -0.281 0.000 1.158 162 A CA 1.000 52.772 52.037 -0.441 0.000 0.661 162 A CB 0.067 18.563 19.000 -0.840 0.000 0.801 162 A HN 0.492 nan 8.150 nan 0.000 0.452 163 D N -2.552 117.687 120.400 -0.268 0.000 2.527 163 D HA 0.304 4.944 4.640 -0.000 0.000 0.242 163 D C -2.534 173.736 176.300 -0.049 0.000 1.285 163 D CA -1.451 52.522 54.000 -0.045 0.000 0.886 163 D CB 0.973 41.878 40.800 0.175 0.000 1.402 163 D HN -0.087 nan 8.370 nan 0.000 0.528 164 P HA -0.057 nan 4.420 nan 0.000 0.228 164 P C 0.722 178.001 177.300 -0.035 0.000 1.151 164 P CA 0.741 63.798 63.100 -0.070 0.000 0.770 164 P CB 0.421 32.073 31.700 -0.081 0.000 0.786 165 E N -0.708 119.488 120.200 -0.008 0.000 2.479 165 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 165 E C 0.701 177.314 176.600 0.022 0.000 1.049 165 E CA 0.390 56.794 56.400 0.006 0.000 0.870 165 E CB -0.043 29.663 29.700 0.010 0.000 0.944 165 E HN 0.323 nan 8.360 nan 0.000 0.492 166 S N -0.316 115.406 115.700 0.037 0.000 2.599 166 S HA 0.491 4.961 4.470 -0.000 0.000 0.294 166 S C 0.445 175.079 174.600 0.056 0.000 1.094 166 S CA -0.432 57.799 58.200 0.052 0.000 0.931 166 S CB 1.970 65.212 63.200 0.070 0.000 1.093 166 S HN -0.051 nan 8.310 nan 0.000 0.488 167 S N -0.844 114.894 115.700 0.065 0.000 2.819 167 S HA 0.203 4.673 4.470 -0.000 0.000 0.249 167 S C -0.209 174.449 174.600 0.097 0.000 1.030 167 S CA -0.560 57.690 58.200 0.082 0.000 1.052 167 S CB -0.524 62.732 63.200 0.092 0.000 1.017 167 S HN 0.858 nan 8.310 nan 0.000 0.576 168 D N 1.360 121.808 120.400 0.079 0.000 2.304 168 D HA 0.118 4.758 4.640 -0.000 0.000 0.247 168 D C -0.429 175.919 176.300 0.080 0.000 1.089 168 D CA -0.315 53.726 54.000 0.067 0.000 0.910 168 D CB 0.626 41.444 40.800 0.029 0.000 1.199 168 D HN 0.043 nan 8.370 nan 0.000 0.426 169 Q N 1.171 121.013 119.800 0.070 0.000 2.293 169 Q HA 0.209 4.549 4.340 -0.000 0.000 0.263 169 Q C 0.155 176.155 176.000 0.000 0.000 1.002 169 Q CA 0.217 56.057 55.803 0.061 0.000 0.910 169 Q CB 1.172 29.932 28.738 0.037 0.000 1.185 169 Q HN 0.637 nan 8.270 nan 0.000 0.401 170 R N 0.880 121.373 120.500 -0.011 0.000 2.752 170 R HA 0.545 4.885 4.340 -0.000 0.000 0.271 170 R C -0.955 175.249 176.300 -0.160 0.000 1.026 170 R CA -0.972 55.044 56.100 -0.139 0.000 0.901 170 R CB 1.363 31.507 30.300 -0.261 0.000 1.243 170 R HN 0.293 nan 8.270 nan 0.000 0.463 171 R N 0.896 121.270 120.500 -0.210 0.000 2.298 171 R HA 0.239 4.579 4.340 -0.000 0.000 0.310 171 R C -0.339 175.802 176.300 -0.265 0.000 1.068 171 R CA -0.140 55.874 56.100 -0.144 0.000 0.957 171 R CB 0.386 30.613 30.300 -0.122 0.000 1.003 171 R HN 0.503 nan 8.270 nan 0.000 0.454 172 F N 1.563 121.472 119.950 -0.069 0.000 2.656 172 F HA 0.198 4.725 4.527 -0.000 0.000 0.291 172 F C 0.622 176.406 175.800 -0.027 0.000 1.122 172 F CA 0.143 58.112 58.000 -0.052 0.000 1.427 172 F CB 0.447 39.405 39.000 -0.070 0.000 1.125 172 F HN 0.170 nan 8.300 nan 0.000 0.583 173 L N -0.607 120.702 121.223 0.144 0.000 2.354 173 L HA 0.313 4.653 4.340 -0.000 0.000 0.269 173 L C 1.455 178.361 176.870 0.059 0.000 1.005 173 L CA -0.541 54.356 54.840 0.096 0.000 0.819 173 L CB 1.955 44.076 42.059 0.103 0.000 1.311 173 L HN -0.055 nan 8.230 nan 0.000 0.423 174 S N 0.613 116.352 115.700 0.064 0.000 2.356 174 S HA -0.129 4.341 4.470 -0.000 0.000 0.223 174 S C 0.871 175.532 174.600 0.102 0.000 1.032 174 S CA 0.803 59.041 58.200 0.063 0.000 1.005 174 S CB -0.089 63.152 63.200 0.068 0.000 0.867 174 S HN 0.660 nan 8.310 nan 0.000 0.449 175 Q N 2.793 122.685 119.800 0.152 0.000 3.035 175 Q HA 0.360 4.700 4.340 -0.000 0.000 0.354 175 Q C -0.194 175.980 176.000 0.291 0.000 1.247 175 Q CA 0.029 56.015 55.803 0.304 0.000 1.068 175 Q CB 0.225 29.124 28.738 0.269 0.000 1.424 175 Q HN 0.807 nan 8.270 nan 0.000 0.486 176 T N -3.060 111.477 114.554 -0.027 0.000 2.887 176 T HA 0.928 5.278 4.350 -0.000 0.000 0.292 176 T C -0.497 173.733 174.700 -0.783 0.000 1.087 176 T CA -0.836 61.126 62.100 -0.229 0.000 1.009 176 T CB 2.314 71.136 68.868 -0.076 0.000 1.203 176 T HN 0.184 nan 8.240 nan 0.000 0.518 177 A N 0.443 122.869 122.820 -0.656 0.000 2.486 177 A HA 0.867 5.187 4.320 -0.000 0.000 0.289 177 A C 0.245 177.652 177.584 -0.295 0.000 1.176 177 A CA -0.590 51.073 52.037 -0.623 0.000 0.757 177 A CB 1.274 19.869 19.000 -0.676 0.000 1.337 177 A HN 1.407 nan 8.150 nan 0.000 0.423 178 T N -2.522 111.893 114.554 -0.231 0.000 3.416 178 T HA 0.522 4.872 4.350 -0.000 0.000 0.245 178 T C 0.587 175.188 174.700 -0.166 0.000 1.081 178 T CA 0.471 62.465 62.100 -0.176 0.000 1.190 178 T CB 0.320 69.117 68.868 -0.118 0.000 1.068 178 T HN 1.171 nan 8.240 nan 0.000 0.580 179 A N 0.980 123.700 122.820 -0.166 0.000 2.123 179 A HA 0.693 5.013 4.320 -0.000 0.000 0.214 179 A C 1.583 179.113 177.584 -0.090 0.000 1.152 179 A CA 0.237 52.218 52.037 -0.093 0.000 0.728 179 A CB -0.537 18.446 19.000 -0.028 0.000 0.814 179 A HN 0.961 nan 8.150 nan 0.000 0.464 180 A N 0.866 123.531 122.820 -0.258 0.000 2.483 180 A HA 0.460 4.780 4.320 -0.000 0.000 0.238 180 A C 0.200 177.742 177.584 -0.070 0.000 1.070 180 A CA 0.381 52.273 52.037 -0.243 0.000 0.770 180 A CB -0.217 18.248 19.000 -0.890 0.000 1.008 180 A HN 0.837 nan 8.150 nan 0.000 0.497 181 N N 0.013 118.770 118.700 0.095 0.000 2.853 181 N HA 0.552 5.292 4.740 -0.000 0.000 0.258 181 N C -2.917 172.739 175.510 0.243 0.000 1.444 181 N CA -1.574 51.573 53.050 0.162 0.000 0.837 181 N CB 0.951 39.524 38.487 0.144 0.000 1.489 181 N HN 0.065 nan 8.380 nan 0.000 0.529 182 P HA -0.088 nan 4.420 nan 0.000 0.219 182 P C 1.036 178.469 177.300 0.222 0.000 1.146 182 P CA 0.658 63.989 63.100 0.387 0.000 0.808 182 P CB 0.228 32.114 31.700 0.310 0.000 0.779 183 V N -0.659 119.392 119.914 0.229 0.000 2.407 183 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 183 V C 2.436 178.531 176.094 0.001 0.000 1.055 183 V CA 1.840 64.231 62.300 0.152 0.000 1.049 183 V CB -1.575 30.394 31.823 0.244 0.000 0.662 183 V HN 0.223 nan 8.190 nan 0.000 0.455 184 C N -0.056 119.261 119.300 0.028 0.000 2.385 184 C HA -0.216 4.244 4.460 -0.000 0.000 0.275 184 C C 2.581 177.376 174.990 -0.326 0.000 1.199 184 C CA 0.704 59.666 59.018 -0.094 0.000 1.782 184 C CB -1.334 26.412 27.740 0.010 0.000 2.068 184 C HN 0.452 nan 8.230 nan 0.000 0.471 185 L N 1.447 122.451 121.223 -0.365 0.000 2.265 185 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 185 L C 2.165 178.790 176.870 -0.409 0.000 1.117 185 L CA 1.563 56.081 54.840 -0.537 0.000 0.782 185 L CB -1.520 40.129 42.059 -0.683 0.000 0.914 185 L HN 0.525 nan 8.230 nan 0.000 0.441 186 N N -0.762 117.741 118.700 -0.329 0.000 2.443 186 N HA -0.143 4.596 4.740 -0.000 0.000 0.184 186 N C 1.312 176.717 175.510 -0.175 0.000 1.037 186 N CA 1.084 54.020 53.050 -0.190 0.000 0.896 186 N CB 0.121 38.483 38.487 -0.208 0.000 0.959 186 N HN 0.367 nan 8.380 nan 0.000 0.442 187 C N 0.541 119.698 119.300 -0.239 0.000 2.688 187 C HA 0.287 4.747 4.460 -0.000 0.000 0.297 187 C C 1.543 176.358 174.990 -0.293 0.000 1.308 187 C CA -0.375 58.492 59.018 -0.253 0.000 1.726 187 C CB -0.322 27.238 27.740 -0.300 0.000 1.982 187 C HN 0.242 nan 8.230 nan 0.000 0.604 188 K N -0.338 119.871 120.400 -0.318 0.000 2.474 188 K HA 0.225 4.545 4.320 -0.000 0.000 0.202 188 K C 0.523 176.953 176.600 -0.283 0.000 1.248 188 K CA 0.611 56.693 56.287 -0.341 0.000 0.946 188 K CB 0.638 32.833 32.500 -0.508 0.000 1.102 188 K HN 0.332 nan 8.250 nan 0.000 0.541 189 T N -0.032 114.383 114.554 -0.231 0.000 2.830 189 T HA 0.253 4.603 4.350 -0.000 0.000 0.322 189 T C -1.379 173.294 174.700 -0.046 0.000 1.501 189 T CA -0.355 61.655 62.100 -0.151 0.000 1.036 189 T CB 1.344 70.124 68.868 -0.148 0.000 1.379 189 T HN -0.158 nan 8.240 nan 0.000 0.493 190 Q N 1.803 121.552 119.800 -0.084 0.000 2.129 190 Q HA 0.192 4.532 4.340 -0.000 0.000 0.274 190 Q C 0.054 176.096 176.000 0.071 0.000 0.854 190 Q CA -0.185 55.541 55.803 -0.130 0.000 1.123 190 Q CB 0.887 29.584 28.738 -0.069 0.000 1.226 190 Q HN 0.641 nan 8.270 nan 0.000 0.454 191 D N 0.478 120.986 120.400 0.179 0.000 2.182 191 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 191 D C 1.419 177.881 176.300 0.270 0.000 0.986 191 D CA 1.245 55.404 54.000 0.266 0.000 0.847 191 D CB 0.106 41.033 40.800 0.212 0.000 0.942 191 D HN 0.498 nan 8.370 nan 0.000 0.467 192 H N -0.467 118.721 119.070 0.196 0.000 2.536 192 H HA 0.147 4.703 4.556 -0.000 0.000 0.276 192 H C 2.002 177.517 175.328 0.312 0.000 1.019 192 H CA -0.203 56.047 56.048 0.337 0.000 1.159 192 H CB -0.784 29.260 29.762 0.470 0.000 1.373 192 H HN 0.185 nan 8.280 nan 0.000 0.584 193 I N 0.900 121.412 120.570 -0.097 0.000 2.335 193 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 193 I C 1.354 177.517 176.117 0.077 0.000 1.129 193 I CA 1.065 62.315 61.300 -0.084 0.000 1.402 193 I CB 0.155 38.119 38.000 -0.060 0.000 1.069 193 I HN 0.219 nan 8.210 nan 0.000 0.424 194 L N -0.102 121.214 121.223 0.155 0.000 2.628 194 L HA 0.113 4.453 4.340 -0.000 0.000 0.229 194 L C 0.438 177.557 176.870 0.415 0.000 1.137 194 L CA 0.069 55.059 54.840 0.251 0.000 0.909 194 L CB -0.134 42.004 42.059 0.132 0.000 1.137 194 L HN 0.156 nan 8.230 nan 0.000 0.470 195 D N -1.054 119.628 120.400 0.471 0.000 2.540 195 D HA 0.056 4.696 4.640 -0.000 0.000 0.229 195 D C -0.552 176.121 176.300 0.621 0.000 1.250 195 D CA 0.132 54.445 54.000 0.521 0.000 0.817 195 D CB 0.942 42.066 40.800 0.541 0.000 1.060 195 D HN 0.165 nan 8.370 nan 0.000 0.508 196 W N 2.094 123.564 121.300 0.284 0.000 2.830 196 W HA 0.591 5.251 4.660 -0.000 0.000 0.335 196 W C -1.381 174.956 176.519 -0.303 0.000 1.043 196 W CA -0.878 56.543 57.345 0.127 0.000 1.239 196 W CB 1.238 30.888 29.460 0.316 0.000 1.378 196 W HN -0.218 nan 8.180 nan 0.000 0.456 197 A N 4.699 127.149 122.820 -0.617 0.000 2.351 197 A HA 0.195 4.515 4.320 -0.000 0.000 0.257 197 A C -1.009 176.259 177.584 -0.527 0.000 1.087 197 A CA -0.352 51.203 52.037 -0.804 0.000 0.798 197 A CB 0.136 18.901 19.000 -0.391 0.000 1.033 197 A HN 0.660 nan 8.150 nan 0.000 0.488 198 Y N 2.213 122.271 120.300 -0.402 0.000 2.944 198 Y HA 0.000 4.550 4.550 -0.000 0.000 0.340 198 Y C 1.082 176.880 175.900 -0.170 0.000 1.275 198 Y CA 1.556 59.551 58.100 -0.175 0.000 1.590 198 Y CB -0.003 38.391 38.460 -0.109 0.000 1.218 198 Y HN 0.722 nan 8.280 nan 0.000 0.576 199 M N 3.089 122.424 119.600 -0.441 0.000 2.949 199 M HA -0.254 4.226 4.480 -0.000 0.000 0.194 199 M C 1.164 177.317 176.300 -0.245 0.000 0.618 199 M CA 1.459 56.555 55.300 -0.339 0.000 0.742 199 M CB -2.491 29.870 32.600 -0.399 0.000 2.662 199 M HN 1.454 nan 8.290 nan 0.000 0.291 200 G N 0.366 108.716 108.800 -0.749 0.000 2.143 200 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.248 200 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.248 200 G C -0.156 174.350 174.900 -0.657 0.000 0.991 200 G CA 0.509 44.781 45.100 -1.380 0.000 0.689 200 G HN 0.534 nan 8.290 nan 0.000 0.522 201 D N 1.193 121.354 120.400 -0.397 0.000 2.419 201 D HA 0.318 4.958 4.640 -0.000 0.000 0.236 201 D C 0.975 177.180 176.300 -0.158 0.000 1.165 201 D CA 0.127 54.011 54.000 -0.193 0.000 0.882 201 D CB 0.517 41.268 40.800 -0.082 0.000 1.201 201 D HN 0.272 nan 8.370 nan 0.000 0.443 202 E N 1.245 121.394 120.200 -0.084 0.000 2.442 202 E HA 0.036 4.386 4.350 -0.000 0.000 0.262 202 E C 0.068 176.699 176.600 0.050 0.000 1.004 202 E CA 0.741 57.122 56.400 -0.033 0.000 0.928 202 E CB 0.433 30.114 29.700 -0.031 0.000 0.937 202 E HN 0.385 nan 8.360 nan 0.000 0.446 203 H N 0.569 119.628 119.070 -0.019 0.000 3.086 203 H HA 0.143 4.699 4.556 -0.000 0.000 0.353 203 H C 0.691 176.039 175.328 0.034 0.000 1.134 203 H CA 0.567 56.642 56.048 0.045 0.000 1.248 203 H CB 1.188 31.041 29.762 0.151 0.000 1.878 203 H HN 0.527 nan 8.280 nan 0.000 0.527 204 E N 2.769 123.023 120.200 0.091 0.000 2.160 204 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 204 E C 1.624 178.300 176.600 0.128 0.000 0.991 204 E CA 1.553 57.999 56.400 0.077 0.000 0.810 204 E CB -0.265 29.428 29.700 -0.012 0.000 0.742 204 E HN 0.617 nan 8.360 nan 0.000 0.466 205 A N -0.442 122.554 122.820 0.293 0.000 2.251 205 A HA 0.631 4.951 4.320 -0.000 0.000 0.209 205 A C 1.645 179.179 177.584 -0.083 0.000 1.187 205 A CA 0.747 52.726 52.037 -0.097 0.000 0.823 205 A CB -0.074 18.602 19.000 -0.541 0.000 0.846 205 A HN 0.884 nan 8.150 nan 0.000 0.486 206 A N 0.071 123.000 122.820 0.180 0.000 2.260 206 A HA 0.486 4.806 4.320 -0.000 0.000 0.308 206 A C 1.006 178.600 177.584 0.017 0.000 1.254 206 A CA -0.321 51.852 52.037 0.227 0.000 0.874 206 A CB 0.444 19.589 19.000 0.241 0.000 1.153 206 A HN 0.357 nan 8.150 nan 0.000 0.527 207 K N 1.890 122.236 120.400 -0.089 0.000 2.097 207 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 207 K C -0.496 175.754 176.600 -0.584 0.000 1.050 207 K CA 0.996 57.013 56.287 -0.449 0.000 0.938 207 K CB 0.061 32.173 32.500 -0.646 0.000 0.718 207 K HN 0.780 nan 8.250 nan 0.000 0.442 208 W N 0.118 121.461 121.300 0.072 0.000 2.761 208 W HA 0.313 4.973 4.660 -0.000 0.000 0.340 208 W C -0.320 176.134 176.519 -0.108 0.000 1.072 208 W CA -0.944 56.359 57.345 -0.069 0.000 1.215 208 W CB 1.789 31.079 29.460 -0.283 0.000 1.420 208 W HN -0.072 nan 8.180 nan 0.000 0.519 209 S N -0.049 115.694 115.700 0.072 0.000 2.688 209 S HA 0.457 4.927 4.470 -0.000 0.000 0.275 209 S C 0.488 175.048 174.600 -0.065 0.000 1.175 209 S CA -1.054 56.972 58.200 -0.289 0.000 0.818 209 S CB 1.612 64.684 63.200 -0.212 0.000 1.157 209 S HN 0.594 nan 8.310 nan 0.000 0.482 210 R N 0.349 120.758 120.500 -0.152 0.000 2.170 210 R HA -0.074 4.266 4.340 -0.000 0.000 0.242 210 R C 1.699 178.060 176.300 0.101 0.000 1.145 210 R CA 1.955 58.112 56.100 0.096 0.000 0.984 210 R CB -0.889 29.437 30.300 0.044 0.000 0.869 210 R HN 0.896 nan 8.270 nan 0.000 0.455 211 T N -2.680 111.905 114.554 0.051 0.000 3.086 211 T HA 0.163 4.513 4.350 -0.000 0.000 0.250 211 T C 0.678 175.439 174.700 0.102 0.000 1.074 211 T CA -0.380 61.760 62.100 0.066 0.000 0.988 211 T CB 0.309 69.197 68.868 0.034 0.000 0.988 211 T HN -0.113 nan 8.240 nan 0.000 0.530 212 S N 2.397 118.181 115.700 0.141 0.000 2.580 212 S HA 0.133 4.603 4.470 -0.000 0.000 0.266 212 S C 0.341 175.074 174.600 0.222 0.000 1.354 212 S CA -0.481 57.851 58.200 0.220 0.000 1.008 212 S CB 0.340 63.748 63.200 0.347 0.000 0.898 212 S HN 0.397 nan 8.310 nan 0.000 0.555 213 E N 1.817 122.171 120.200 0.258 0.000 2.159 213 E HA 0.024 4.374 4.350 -0.000 0.000 0.272 213 E C 1.040 177.807 176.600 0.278 0.000 1.138 213 E CA -0.036 56.505 56.400 0.235 0.000 0.915 213 E CB 0.680 30.510 29.700 0.217 0.000 1.028 213 E HN 0.438 nan 8.360 nan 0.000 0.423 214 V N 4.716 124.800 119.914 0.283 0.000 2.469 214 V HA -0.269 3.851 4.120 -0.000 0.000 0.251 214 V C 1.847 178.188 176.094 0.413 0.000 1.064 214 V CA 1.670 64.199 62.300 0.382 0.000 1.066 214 V CB 0.044 32.089 31.823 0.369 0.000 0.667 214 V HN 0.527 nan 8.190 nan 0.000 0.461 215 V N 0.250 120.378 119.914 0.357 0.000 2.343 215 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 215 V C 2.411 178.605 176.094 0.167 0.000 1.051 215 V CA 2.444 64.926 62.300 0.303 0.000 1.036 215 V CB -0.704 31.247 31.823 0.213 0.000 0.654 215 V HN 0.687 nan 8.190 nan 0.000 0.451 216 E N -0.516 119.791 120.200 0.179 0.000 2.072 216 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 216 E C 2.135 178.742 176.600 0.012 0.000 0.985 216 E CA 1.367 57.877 56.400 0.183 0.000 0.801 216 E CB -0.288 29.637 29.700 0.374 0.000 0.750 216 E HN 0.531 nan 8.360 nan 0.000 0.452 217 F N 2.142 121.793 119.950 -0.498 0.000 2.069 217 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 217 F C 2.304 177.795 175.800 -0.516 0.000 1.113 217 F CA 1.327 58.625 58.000 -1.169 0.000 1.214 217 F CB -0.892 37.618 39.000 -0.816 0.000 0.978 217 F HN -0.036 nan 8.300 nan 0.000 0.474 218 A N 0.560 123.260 122.820 -0.201 0.000 1.917 218 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 218 A C 2.353 179.812 177.584 -0.210 0.000 1.182 218 A CA 2.055 53.993 52.037 -0.165 0.000 0.633 218 A CB -0.851 18.023 19.000 -0.211 0.000 0.819 218 A HN 0.487 nan 8.150 nan 0.000 0.448 219 R N -0.871 119.422 120.500 -0.345 0.000 2.241 219 R HA -0.081 4.259 4.340 -0.000 0.000 0.224 219 R C 0.607 176.724 176.300 -0.305 0.000 1.101 219 R CA 1.197 56.941 56.100 -0.594 0.000 0.995 219 R CB -0.185 29.818 30.300 -0.494 0.000 0.870 219 R HN 0.420 nan 8.270 nan 0.000 0.463 220 D N -0.440 119.901 120.400 -0.099 0.000 2.349 220 D HA 0.137 4.776 4.640 -0.000 0.000 0.214 220 D C -0.362 175.977 176.300 0.064 0.000 1.063 220 D CA 0.369 54.405 54.000 0.061 0.000 0.847 220 D CB 0.439 41.410 40.800 0.284 0.000 0.933 220 D HN 0.036 nan 8.370 nan 0.000 0.513 221 L N -0.093 121.158 121.223 0.048 0.000 2.334 221 L HA 0.449 4.789 4.340 -0.000 0.000 0.276 221 L C 0.546 177.459 176.870 0.071 0.000 1.014 221 L CA -0.475 54.373 54.840 0.013 0.000 0.815 221 L CB 1.917 43.886 42.059 -0.150 0.000 1.268 221 L HN -0.259 nan 8.230 nan 0.000 0.428 222 N N -1.525 117.076 118.700 -0.164 0.000 2.428 222 N HA 0.107 4.847 4.740 -0.000 0.000 0.249 222 N C -0.688 174.543 175.510 -0.465 0.000 1.092 222 N CA -0.337 52.479 53.050 -0.390 0.000 0.833 222 N CB 0.572 38.672 38.487 -0.645 0.000 1.575 222 N HN 0.559 nan 8.380 nan 0.000 0.476 223 H N 0.918 119.966 119.070 -0.037 0.000 2.472 223 H HA 0.410 4.966 4.556 -0.000 0.000 0.338 223 H C -2.471 172.789 175.328 -0.115 0.000 1.133 223 H CA -2.054 53.959 56.048 -0.058 0.000 1.216 223 H CB 1.580 31.327 29.762 -0.025 0.000 1.497 223 H HN 0.041 nan 8.280 nan 0.000 0.500 224 P HA 0.021 nan 4.420 nan 0.000 0.281 224 P C -0.105 177.137 177.300 -0.098 0.000 1.249 224 P CA -0.663 62.400 63.100 -0.062 0.000 0.810 224 P CB 1.238 32.934 31.700 -0.007 0.000 1.008 225 L N 1.165 122.277 121.223 -0.185 0.000 3.995 225 L HA -0.250 4.090 4.340 -0.000 0.000 0.513 225 L C -0.886 175.712 176.870 -0.454 0.000 1.147 225 L CA 0.509 55.171 54.840 -0.297 0.000 0.703 225 L CB -2.470 39.438 42.059 -0.251 0.000 1.306 225 L HN 0.386 nan 8.230 nan 0.000 0.779 226 N N 1.735 120.120 118.700 -0.525 0.000 2.395 226 N HA 0.064 4.804 4.740 -0.000 0.000 0.246 226 N C 1.470 176.529 175.510 -0.753 0.000 1.246 226 N CA 0.473 53.064 53.050 -0.765 0.000 0.879 226 N CB 0.218 37.840 38.487 -1.442 0.000 1.098 226 N HN 0.495 nan 8.380 nan 0.000 0.444 227 C N 0.435 119.405 119.300 -0.550 0.000 2.411 227 C HA -0.146 4.314 4.460 -0.000 0.000 0.279 227 C C 2.031 176.927 174.990 -0.157 0.000 1.288 227 C CA 0.291 59.141 59.018 -0.281 0.000 1.764 227 C CB -1.560 26.131 27.740 -0.082 0.000 1.974 227 C HN 0.879 nan 8.230 nan 0.000 0.498 228 F N -0.413 119.502 119.950 -0.057 0.000 2.802 228 F HA 0.169 4.696 4.527 -0.000 0.000 0.300 228 F C 1.931 177.683 175.800 -0.081 0.000 1.168 228 F CA 0.334 58.309 58.000 -0.042 0.000 1.433 228 F CB -1.401 37.562 39.000 -0.060 0.000 1.115 228 F HN 0.103 nan 8.300 nan 0.000 0.582 229 M N -0.421 119.028 119.600 -0.251 0.000 2.279 229 M HA -0.154 4.326 4.480 -0.000 0.000 0.264 229 M C 1.192 177.413 176.300 -0.132 0.000 1.062 229 M CA 1.280 56.480 55.300 -0.166 0.000 1.099 229 M CB -0.579 31.861 32.600 -0.267 0.000 1.394 229 M HN 0.416 nan 8.290 nan 0.000 0.426 230 C N -1.567 117.596 119.300 -0.228 0.000 3.403 230 C HA 0.212 4.672 4.460 -0.000 0.000 0.317 230 C C 0.359 175.144 174.990 -0.341 0.000 1.346 230 C CA -0.442 58.379 59.018 -0.328 0.000 1.743 230 C CB -0.511 26.915 27.740 -0.523 0.000 2.308 230 C HN 0.328 nan 8.230 nan 0.000 0.675 231 H N 0.992 120.078 119.070 0.026 0.000 2.744 231 H HA 0.268 4.824 4.556 -0.000 0.000 0.339 231 H C -1.397 173.961 175.328 0.051 0.000 1.004 231 H CA -0.525 55.535 56.048 0.021 0.000 1.257 231 H CB 1.041 30.800 29.762 -0.004 0.000 1.552 231 H HN 0.220 nan 8.280 nan 0.000 0.522 232 D N 4.825 125.314 120.400 0.149 0.000 2.417 232 D HA 0.019 4.659 4.640 -0.000 0.000 0.250 232 D C -1.148 175.192 176.300 0.066 0.000 1.166 232 D CA -1.203 52.863 54.000 0.110 0.000 0.881 232 D CB 1.351 42.227 40.800 0.128 0.000 1.164 232 D HN 0.219 nan 8.370 nan 0.000 0.467 233 P HA -0.128 nan 4.420 nan 0.000 0.223 233 P C 0.305 177.633 177.300 0.046 0.000 1.151 233 P CA 1.337 64.413 63.100 -0.040 0.000 0.787 233 P CB 0.196 31.713 31.700 -0.305 0.000 0.788 234 H N -0.098 119.126 119.070 0.257 0.000 2.388 234 H HA 0.032 4.588 4.556 -0.000 0.000 0.304 234 H C 2.304 177.754 175.328 0.203 0.000 1.049 234 H CA 1.600 57.843 56.048 0.325 0.000 1.371 234 H CB -0.162 29.780 29.762 0.300 0.000 1.436 234 H HN 0.170 nan 8.280 nan 0.000 0.544 235 S N 0.044 115.866 115.700 0.204 0.000 2.503 235 S HA 0.283 4.753 4.470 -0.000 0.000 0.217 235 S C 1.754 176.299 174.600 -0.092 0.000 0.999 235 S CA 0.276 58.515 58.200 0.064 0.000 0.914 235 S CB 0.423 63.669 63.200 0.077 0.000 0.782 235 S HN 0.571 nan 8.310 nan 0.000 0.520 236 A N 0.140 122.847 122.820 -0.188 0.000 3.153 236 A HA -0.054 4.266 4.320 -0.000 0.000 0.265 236 A C 0.967 178.470 177.584 -0.135 0.000 1.212 236 A CA 1.029 52.839 52.037 -0.378 0.000 1.018 236 A CB -2.514 15.993 19.000 -0.821 0.000 1.130 236 A HN 1.375 nan 8.150 nan 0.000 0.873 237 G N -0.546 108.240 108.800 -0.024 0.000 2.537 237 G HA2 0.554 4.514 3.960 -0.000 0.000 0.273 237 G HA3 0.554 4.514 3.960 -0.000 0.000 0.273 237 G C -2.094 172.862 174.900 0.094 0.000 1.189 237 G CA -0.793 44.327 45.100 0.033 0.000 0.881 237 G HN 0.362 nan 8.290 nan 0.000 0.535 238 P HA 0.253 nan 4.420 nan 0.000 0.276 238 P C -0.490 176.852 177.300 0.070 0.000 1.230 238 P CA -0.034 63.126 63.100 0.099 0.000 0.776 238 P CB 1.135 32.888 31.700 0.089 0.000 0.888 239 R N 1.021 121.547 120.500 0.043 0.000 2.766 239 R HA 0.727 5.067 4.340 -0.000 0.000 0.270 239 R C -1.285 175.025 176.300 0.017 0.000 1.035 239 R CA -1.062 55.066 56.100 0.047 0.000 0.911 239 R CB 0.965 31.310 30.300 0.075 0.000 1.243 239 R HN 0.237 nan 8.270 nan 0.000 0.460 240 V N -0.903 119.027 119.914 0.027 0.000 2.960 240 V HA 0.665 4.785 4.120 -0.000 0.000 0.315 240 V C 0.446 176.557 176.094 0.029 0.000 1.087 240 V CA -0.116 62.190 62.300 0.010 0.000 0.982 240 V CB 1.811 33.634 31.823 -0.000 0.000 1.039 240 V HN 0.867 nan 8.190 nan 0.000 0.437 241 V N -0.924 119.000 119.914 0.016 0.000 3.604 241 V HA 0.482 4.602 4.120 -0.000 0.000 0.277 241 V C 0.944 177.043 176.094 0.009 0.000 1.399 241 V CA 0.276 62.598 62.300 0.036 0.000 1.034 241 V CB -0.035 31.820 31.823 0.053 0.000 0.824 241 V HN 0.930 nan 8.190 nan 0.000 0.439 242 R N 3.285 123.761 120.500 -0.039 0.000 2.351 242 R HA 0.159 4.499 4.340 -0.000 0.000 0.318 242 R C 1.151 177.350 176.300 -0.167 0.000 1.055 242 R CA 0.619 56.661 56.100 -0.098 0.000 0.968 242 R CB 0.278 30.521 30.300 -0.096 0.000 0.974 242 R HN 0.642 nan 8.270 nan 0.000 0.439 243 D N 3.302 123.617 120.400 -0.142 0.000 2.104 243 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 243 D C 1.500 177.513 176.300 -0.480 0.000 0.994 243 D CA 1.822 55.683 54.000 -0.232 0.000 0.830 243 D CB -0.775 39.840 40.800 -0.309 0.000 0.959 243 D HN 0.619 nan 8.370 nan 0.000 0.452 244 G N 0.138 108.529 108.800 -0.682 0.000 2.450 244 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 244 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 244 G C 1.525 175.619 174.900 -1.345 0.000 1.130 244 G CA 1.022 45.471 45.100 -1.085 0.000 0.760 244 G HN 0.326 nan 8.290 nan 0.000 0.557 245 L N 0.539 121.013 121.223 -1.248 0.000 2.068 245 L HA 0.219 4.559 4.340 -0.000 0.000 0.204 245 L C 2.665 179.256 176.870 -0.465 0.000 1.076 245 L CA 1.165 55.563 54.840 -0.736 0.000 0.753 245 L CB -0.442 41.413 42.059 -0.340 0.000 0.910 245 L HN 0.238 nan 8.230 nan 0.000 0.439 246 I N 0.099 120.503 120.570 -0.277 0.000 2.208 246 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 246 I C 2.468 178.541 176.117 -0.072 0.000 1.097 246 I CA 1.726 62.968 61.300 -0.098 0.000 1.363 246 I CB -0.683 37.365 38.000 0.079 0.000 1.051 246 I HN 0.509 nan 8.210 nan 0.000 0.413 247 N N 1.313 119.952 118.700 -0.101 0.000 2.069 247 N HA -0.228 4.512 4.740 -0.000 0.000 0.191 247 N C 1.976 177.413 175.510 -0.121 0.000 1.031 247 N CA 1.824 54.833 53.050 -0.068 0.000 0.852 247 N CB 0.042 38.415 38.487 -0.190 0.000 1.018 247 N HN 0.368 nan 8.380 nan 0.000 0.423 248 A N 0.864 123.533 122.820 -0.251 0.000 1.858 248 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 248 A C 2.527 179.982 177.584 -0.216 0.000 1.190 248 A CA 1.491 53.387 52.037 -0.236 0.000 0.617 248 A CB -0.838 17.924 19.000 -0.396 0.000 0.827 248 A HN 0.220 nan 8.150 nan 0.000 0.443 249 V N -0.932 118.784 119.914 -0.330 0.000 2.379 249 V HA -0.147 3.973 4.120 -0.000 0.000 0.245 249 V C 2.389 178.461 176.094 -0.037 0.000 1.044 249 V CA 1.971 64.167 62.300 -0.174 0.000 1.036 249 V CB -0.227 31.484 31.823 -0.188 0.000 0.664 249 V HN 0.365 nan 8.190 nan 0.000 0.453 250 V N -0.733 119.154 119.914 -0.044 0.000 2.599 250 V HA -0.007 4.113 4.120 -0.000 0.000 0.237 250 V C 2.107 178.206 176.094 0.008 0.000 1.081 250 V CA 1.158 63.454 62.300 -0.007 0.000 1.107 250 V CB -0.491 31.324 31.823 -0.013 0.000 0.808 250 V HN 0.405 nan 8.190 nan 0.000 0.486 251 D N 0.796 121.207 120.400 0.017 0.000 2.104 251 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 251 D C 2.203 178.525 176.300 0.037 0.000 0.994 251 D CA 1.402 55.424 54.000 0.037 0.000 0.830 251 D CB -0.208 40.638 40.800 0.076 0.000 0.959 251 D HN 0.285 nan 8.370 nan 0.000 0.452 252 R N -0.583 119.939 120.500 0.036 0.000 2.310 252 R HA 0.228 4.568 4.340 -0.000 0.000 0.202 252 R C 1.153 177.491 176.300 0.064 0.000 0.933 252 R CA 0.477 56.611 56.100 0.057 0.000 1.054 252 R CB 0.348 30.692 30.300 0.073 0.000 0.985 252 R HN 0.161 nan 8.270 nan 0.000 0.489 253 G N 1.113 109.944 108.800 0.051 0.000 2.203 253 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.263 253 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.263 253 G C 0.608 175.555 174.900 0.078 0.000 1.012 253 G CA 0.258 45.391 45.100 0.055 0.000 0.749 253 G HN 0.316 nan 8.290 nan 0.000 0.512 254 L N -0.041 121.250 121.223 0.114 0.000 2.313 254 L HA 0.370 4.710 4.340 -0.000 0.000 0.214 254 L C 1.845 178.821 176.870 0.176 0.000 1.119 254 L CA 0.801 55.745 54.840 0.173 0.000 0.809 254 L CB -0.551 41.713 42.059 0.342 0.000 0.933 254 L HN 1.173 nan 8.230 nan 0.000 0.449 255 G N -0.047 108.854 108.800 0.169 0.000 2.758 255 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.686 255 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.686 255 G C 0.609 175.688 174.900 0.298 0.000 1.389 255 G CA -0.129 45.074 45.100 0.172 0.000 0.845 255 G HN 0.205 nan 8.290 nan 0.000 0.572 256 T N -2.740 111.967 114.554 0.255 0.000 2.867 256 T HA 0.036 4.386 4.350 -0.000 0.000 0.268 256 T C 0.880 175.563 174.700 -0.029 0.000 1.057 256 T CA 2.034 64.285 62.100 0.253 0.000 1.136 256 T CB 0.036 69.032 68.868 0.213 0.000 0.874 256 T HN 0.846 nan 8.240 nan 0.000 0.466 257 Y N 1.237 121.567 120.300 0.051 0.000 2.749 257 Y HA 0.416 4.966 4.550 -0.000 0.000 0.343 257 Y C -2.190 173.483 175.900 -0.379 0.000 1.015 257 Y CA -2.871 55.071 58.100 -0.264 0.000 1.270 257 Y CB 1.825 40.211 38.460 -0.124 0.000 1.097 257 Y HN 0.017 nan 8.280 nan 0.000 0.571 258 P HA -0.183 nan 4.420 nan 0.000 0.218 258 P C 0.887 177.872 177.300 -0.525 0.000 1.146 258 P CA 1.758 64.547 63.100 -0.519 0.000 0.813 258 P CB 0.240 31.476 31.700 -0.772 0.000 0.778 259 H N -2.406 116.483 119.070 -0.302 0.000 2.539 259 H HA 0.176 4.732 4.556 -0.000 0.000 0.269 259 H C -0.002 175.280 175.328 -0.076 0.000 0.980 259 H CA 0.481 56.445 56.048 -0.139 0.000 1.152 259 H CB 0.280 29.978 29.762 -0.107 0.000 1.407 259 H HN 0.139 nan 8.280 nan 0.000 0.564 260 D N 0.166 120.567 120.400 0.002 0.000 2.381 260 D HA 0.143 4.783 4.640 -0.000 0.000 0.245 260 D C -2.181 174.126 176.300 0.012 0.000 1.297 260 D CA -1.878 52.126 54.000 0.007 0.000 0.931 260 D CB 1.638 42.425 40.800 -0.021 0.000 1.334 260 D HN -0.062 nan 8.370 nan 0.000 0.535 261 P HA -0.107 nan 4.420 nan 0.000 0.218 261 P C 1.628 178.940 177.300 0.020 0.000 1.148 261 P CA 0.455 63.566 63.100 0.018 0.000 0.822 261 P CB 0.633 32.340 31.700 0.011 0.000 0.784 262 V N 0.298 120.213 119.914 0.002 0.000 2.307 262 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 262 V C 2.522 178.607 176.094 -0.015 0.000 1.045 262 V CA 1.823 64.119 62.300 -0.006 0.000 1.024 262 V CB -0.969 30.844 31.823 -0.016 0.000 0.651 262 V HN 0.110 nan 8.190 nan 0.000 0.449 263 K N -0.060 120.307 120.400 -0.056 0.000 2.097 263 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 263 K C 2.353 178.956 176.600 0.006 0.000 1.049 263 K CA 1.574 57.782 56.287 -0.131 0.000 0.933 263 K CB -0.188 32.086 32.500 -0.377 0.000 0.717 263 K HN 0.401 nan 8.250 nan 0.000 0.442 264 S N 0.898 116.667 115.700 0.116 0.000 2.383 264 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 264 S C 1.692 176.377 174.600 0.140 0.000 1.030 264 S CA 1.212 59.541 58.200 0.215 0.000 1.002 264 S CB -0.168 63.128 63.200 0.160 0.000 0.829 264 S HN 0.380 nan 8.310 nan 0.000 0.467 265 E N 1.241 121.490 120.200 0.081 0.000 2.076 265 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 265 E C 1.918 178.553 176.600 0.058 0.000 0.979 265 E CA 0.848 57.285 56.400 0.061 0.000 0.807 265 E CB -0.103 29.620 29.700 0.038 0.000 0.761 265 E HN 0.580 nan 8.360 nan 0.000 0.454 266 Q N -0.234 119.593 119.800 0.046 0.000 2.230 266 Q HA -0.043 4.296 4.340 -0.000 0.000 0.202 266 Q C 0.532 176.573 176.000 0.068 0.000 0.963 266 Q CA 0.759 56.586 55.803 0.040 0.000 0.866 266 Q CB 0.231 28.976 28.738 0.012 0.000 0.931 266 Q HN 0.189 nan 8.270 nan 0.000 0.452 267 Q N -0.048 119.817 119.800 0.109 0.000 2.831 267 Q HA 0.321 4.661 4.340 -0.000 0.000 0.366 267 Q C -0.534 175.598 176.000 0.220 0.000 0.899 267 Q CA -0.560 55.347 55.803 0.174 0.000 0.987 267 Q CB 1.563 30.437 28.738 0.226 0.000 1.382 267 Q HN 0.166 nan 8.270 nan 0.000 0.403 268 G N 0.619 109.508 108.800 0.150 0.000 2.753 268 G HA2 0.759 4.719 3.960 -0.000 0.000 0.285 268 G HA3 0.759 4.719 3.960 -0.000 0.000 0.285 268 G C -0.985 173.978 174.900 0.105 0.000 1.344 268 G CA -0.508 44.673 45.100 0.134 0.000 1.050 268 G HN 0.301 nan 8.290 nan 0.000 0.532 269 M N 0.062 119.710 119.600 0.079 0.000 2.386 269 M HA 0.497 4.977 4.480 -0.000 0.000 0.293 269 M C -1.363 174.958 176.300 0.035 0.000 1.120 269 M CA -0.449 54.885 55.300 0.056 0.000 0.909 269 M CB 2.278 34.905 32.600 0.044 0.000 1.661 269 M HN 0.405 nan 8.290 nan 0.000 0.452 270 T N 4.031 118.602 114.554 0.027 0.000 2.772 270 T HA 0.299 4.649 4.350 -0.000 0.000 0.288 270 T C -0.646 174.052 174.700 -0.004 0.000 0.994 270 T CA -0.584 61.521 62.100 0.009 0.000 0.951 270 T CB 1.058 69.931 68.868 0.008 0.000 0.933 270 T HN 0.606 nan 8.240 nan 0.000 0.447 271 K N 3.407 123.792 120.400 -0.025 0.000 2.379 271 K HA 0.385 4.705 4.320 -0.000 0.000 0.284 271 K C -0.886 175.667 176.600 -0.078 0.000 1.044 271 K CA -0.306 55.950 56.287 -0.051 0.000 0.974 271 K CB 0.357 32.807 32.500 -0.083 0.000 0.962 271 K HN 0.319 nan 8.250 nan 0.000 0.474 272 V N 4.460 124.328 119.914 -0.077 0.000 2.448 272 V HA 0.242 4.362 4.120 -0.000 0.000 0.295 272 V C -0.113 175.837 176.094 -0.239 0.000 1.025 272 V CA -0.825 61.372 62.300 -0.172 0.000 0.859 272 V CB 1.594 33.326 31.823 -0.153 0.000 0.988 272 V HN 0.982 nan 8.190 nan 0.000 0.431 273 T N 1.711 116.068 114.554 -0.330 0.000 2.895 273 T HA 0.795 5.145 4.350 -0.000 0.000 0.283 273 T C -0.876 173.577 174.700 -0.411 0.000 1.014 273 T CA -0.457 61.499 62.100 -0.241 0.000 1.037 273 T CB 1.263 70.035 68.868 -0.159 0.000 1.006 273 T HN 0.175 nan 8.240 nan 0.000 0.468 274 F N 0.832 120.801 119.950 0.032 0.000 2.520 274 F HA 0.582 5.109 4.527 -0.000 0.000 0.322 274 F C 0.317 176.196 175.800 0.132 0.000 1.103 274 F CA -1.030 57.020 58.000 0.084 0.000 0.926 274 F CB 2.254 41.322 39.000 0.113 0.000 1.154 274 F HN 0.456 nan 8.300 nan 0.000 0.453 275 Q N 2.309 122.264 119.800 0.258 0.000 2.215 275 Q HA 0.627 4.967 4.340 -0.000 0.000 0.256 275 Q C -0.767 175.330 176.000 0.161 0.000 0.972 275 Q CA -0.886 55.036 55.803 0.198 0.000 0.889 275 Q CB 1.468 30.273 28.738 0.111 0.000 1.281 275 Q HN 0.297 nan 8.270 nan 0.000 0.456 276 R N 1.075 121.641 120.500 0.112 0.000 2.409 276 R HA 0.577 4.917 4.340 -0.000 0.000 0.313 276 R C 0.344 176.664 176.300 0.035 0.000 0.953 276 R CA 0.226 56.317 56.100 -0.014 0.000 0.849 276 R CB 0.979 31.133 30.300 -0.243 0.000 1.171 276 R HN 0.871 nan 8.270 nan 0.000 0.458 277 G N 2.215 111.023 108.800 0.014 0.000 2.602 277 G HA2 -0.488 3.472 3.960 -0.000 0.000 0.310 277 G HA3 -0.488 3.472 3.960 -0.000 0.000 0.310 277 G C 0.547 175.465 174.900 0.030 0.000 1.183 277 G CA 0.991 46.100 45.100 0.016 0.000 0.979 277 G HN 0.722 nan 8.290 nan 0.000 0.545 278 R N 0.287 120.805 120.500 0.031 0.000 2.472 278 R HA 0.527 4.867 4.340 -0.000 0.000 0.279 278 R C 0.684 177.014 176.300 0.051 0.000 0.953 278 R CA 1.353 57.472 56.100 0.032 0.000 1.088 278 R CB -0.003 nan 30.300 nan 0.000 1.197 278 R HN 0.631 nan 8.270 nan 0.000 0.536 279 E N 1.663 121.914 120.200 0.085 0.000 2.216 279 E HA 0.235 4.585 4.350 -0.000 0.000 0.279 279 E C -1.126 175.602 176.600 0.214 0.000 0.997 279 E CA -0.982 55.494 56.400 0.127 0.000 0.817 279 E CB 1.323 31.093 29.700 0.117 0.000 1.096 279 E HN 0.296 nan 8.360 nan 0.000 0.393 280 D N 1.591 122.100 120.400 0.182 0.000 2.488 280 D HA -0.044 4.596 4.640 -0.000 0.000 0.238 280 D C 0.256 176.772 176.300 0.359 0.000 1.138 280 D CA 0.371 54.486 54.000 0.192 0.000 0.873 280 D CB 0.488 41.342 40.800 0.089 0.000 1.183 280 D HN 0.373 nan 8.370 nan 0.000 0.458 281 F N 1.915 121.914 119.950 0.082 0.000 2.268 281 F HA 0.211 4.738 4.527 -0.000 0.000 0.262 281 F C 0.337 176.135 175.800 -0.005 0.000 0.910 281 F CA 0.223 58.169 58.000 -0.090 0.000 1.142 281 F CB 0.367 39.259 39.000 -0.180 0.000 1.229 281 F HN 0.321 nan 8.300 nan 0.000 0.781 282 R N 1.031 121.482 120.500 -0.082 0.000 2.912 282 R HA 0.879 5.219 4.340 -0.000 0.000 0.262 282 R C -1.589 174.787 176.300 0.126 0.000 1.057 282 R CA -0.683 55.356 56.100 -0.101 0.000 0.981 282 R CB 1.763 31.963 30.300 -0.167 0.000 1.201 282 R HN 0.187 nan 8.270 nan 0.000 0.484 283 A N 1.171 124.075 122.820 0.140 0.000 2.587 283 A HA 0.722 5.042 4.320 -0.000 0.000 0.293 283 A C -0.862 176.839 177.584 0.196 0.000 1.087 283 A CA -0.993 51.117 52.037 0.120 0.000 0.692 283 A CB 1.459 20.306 19.000 -0.254 0.000 1.291 283 A HN 0.867 nan 8.150 nan 0.000 0.407 284 I N -1.866 118.830 120.570 0.210 0.000 3.145 284 I HA 0.948 5.118 4.170 -0.000 0.000 0.313 284 I C 0.002 176.177 176.117 0.097 0.000 1.122 284 I CA -1.194 60.207 61.300 0.169 0.000 0.987 284 I CB 2.484 40.623 38.000 0.232 0.000 1.236 284 I HN 0.789 nan 8.210 nan 0.000 0.453 285 G N 4.065 112.909 108.800 0.073 0.000 2.660 285 G HA2 0.565 4.525 3.960 -0.000 0.000 0.305 285 G HA3 0.565 4.525 3.960 -0.000 0.000 0.305 285 G C -0.787 174.147 174.900 0.056 0.000 1.329 285 G CA -0.562 44.565 45.100 0.045 0.000 1.000 285 G HN 0.544 nan 8.290 nan 0.000 0.514 286 L N 2.529 123.787 121.223 0.059 0.000 2.367 286 L HA 0.299 4.639 4.340 -0.000 0.000 0.275 286 L C 0.284 177.190 176.870 0.059 0.000 1.129 286 L CA -0.335 54.543 54.840 0.064 0.000 0.839 286 L CB 1.001 43.096 42.059 0.061 0.000 1.133 286 L HN 0.231 nan 8.230 nan 0.000 0.453 287 L N 3.037 124.299 121.223 0.066 0.000 2.334 287 L HA 0.194 4.534 4.340 -0.000 0.000 0.277 287 L C 0.909 177.823 176.870 0.073 0.000 1.075 287 L CA -0.634 54.251 54.840 0.075 0.000 0.804 287 L CB 1.320 43.429 42.059 0.083 0.000 1.174 287 L HN 0.581 nan 8.230 nan 0.000 0.438 288 D N 0.405 120.852 120.400 0.079 0.000 2.178 288 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 288 D C 0.896 177.239 176.300 0.072 0.000 0.980 288 D CA 1.253 55.295 54.000 0.070 0.000 0.842 288 D CB 0.202 41.047 40.800 0.075 0.000 0.948 288 D HN 0.727 nan 8.370 nan 0.000 0.472 289 T N -3.655 110.952 114.554 0.088 0.000 2.887 289 T HA 0.665 5.015 4.350 -0.000 0.000 0.292 289 T C -0.346 174.410 174.700 0.093 0.000 1.087 289 T CA -0.913 61.238 62.100 0.086 0.000 1.009 289 T CB 2.118 71.042 68.868 0.093 0.000 1.203 289 T HN -0.099 nan 8.240 nan 0.000 0.518 290 A N 1.518 124.390 122.820 0.087 0.000 3.048 290 A HA 0.358 4.678 4.320 -0.000 0.000 0.264 290 A C 0.192 177.834 177.584 0.098 0.000 1.796 290 A CA -0.304 51.786 52.037 0.090 0.000 1.445 290 A CB -1.299 17.753 19.000 0.088 0.000 1.074 290 A HN 0.718 nan 8.150 nan 0.000 0.621 291 D N 1.522 121.993 120.400 0.117 0.000 2.411 291 D HA 0.179 4.819 4.640 -0.000 0.000 0.225 291 D C 1.449 177.833 176.300 0.139 0.000 1.156 291 D CA 0.478 54.574 54.000 0.159 0.000 0.874 291 D CB 0.799 41.735 40.800 0.226 0.000 1.034 291 D HN 0.382 nan 8.370 nan 0.000 0.502 292 S N 3.448 119.217 115.700 0.114 0.000 2.419 292 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 292 S C 1.516 176.177 174.600 0.102 0.000 1.016 292 S CA 0.378 58.621 58.200 0.072 0.000 0.974 292 S CB -0.112 63.108 63.200 0.033 0.000 0.786 292 S HN 0.402 nan 8.310 nan 0.000 0.492 293 N N 1.783 120.593 118.700 0.184 0.000 2.094 293 N HA -0.059 4.681 4.740 -0.000 0.000 0.191 293 N C 1.670 177.308 175.510 0.214 0.000 1.023 293 N CA 1.526 54.712 53.050 0.228 0.000 0.857 293 N CB -0.648 38.088 38.487 0.415 0.000 1.013 293 N HN 0.411 nan 8.380 nan 0.000 0.426 294 V N 1.047 121.084 119.914 0.205 0.000 2.599 294 V HA -0.012 4.108 4.120 -0.000 0.000 0.245 294 V C 2.277 178.453 176.094 0.137 0.000 1.046 294 V CA 0.759 63.180 62.300 0.203 0.000 1.065 294 V CB -0.312 31.616 31.823 0.176 0.000 0.703 294 V HN 0.189 nan 8.190 nan 0.000 0.464 295 M N -0.334 119.318 119.600 0.088 0.000 2.065 295 M HA -0.242 4.238 4.480 -0.000 0.000 0.259 295 M C 2.357 178.679 176.300 0.037 0.000 1.069 295 M CA 2.119 57.436 55.300 0.028 0.000 1.110 295 M CB -0.761 31.826 32.600 -0.022 0.000 1.328 295 M HN 0.411 nan 8.290 nan 0.000 0.405 296 C N 0.132 119.463 119.300 0.052 0.000 2.432 296 C HA 0.034 4.494 4.460 -0.000 0.000 0.280 296 C C 2.787 177.860 174.990 0.137 0.000 1.353 296 C CA 0.583 59.641 59.018 0.067 0.000 1.766 296 C CB -1.549 26.180 27.740 -0.019 0.000 1.924 296 C HN 0.618 nan 8.230 nan 0.000 0.509 297 A N 0.203 123.127 122.820 0.172 0.000 2.239 297 A HA -0.124 4.196 4.320 -0.000 0.000 0.209 297 A C 2.057 179.799 177.584 0.263 0.000 1.171 297 A CA 0.732 52.928 52.037 0.264 0.000 0.768 297 A CB -0.530 18.758 19.000 0.481 0.000 0.790 297 A HN 0.758 nan 8.150 nan 0.000 0.478 298 Q N -1.490 118.416 119.800 0.176 0.000 2.226 298 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 298 Q C 1.480 177.579 176.000 0.165 0.000 0.975 298 Q CA 1.641 57.553 55.803 0.182 0.000 0.866 298 Q CB -0.180 28.586 28.738 0.046 0.000 0.915 298 Q HN 0.814 nan 8.270 nan 0.000 0.440 299 C N -2.428 116.883 119.300 0.018 0.000 3.264 299 C HA 0.122 4.582 4.460 -0.000 0.000 0.555 299 C C 0.913 175.712 174.990 -0.319 0.000 1.349 299 C CA -0.500 58.401 59.018 -0.195 0.000 2.522 299 C CB -0.027 27.525 27.740 -0.312 0.000 3.588 299 C HN 0.414 nan 8.230 nan 0.000 0.547 300 H N 2.211 121.199 119.070 -0.137 0.000 2.966 300 H HA 0.395 4.951 4.556 -0.000 0.000 0.217 300 H C -0.087 175.215 175.328 -0.043 0.000 1.906 300 H CA 0.715 56.686 56.048 -0.129 0.000 1.351 300 H CB -0.200 29.491 29.762 -0.118 0.000 1.722 300 H HN 0.428 nan 8.280 nan 0.000 0.562 301 V N -1.066 118.874 119.914 0.044 0.000 3.159 301 V HA 0.399 4.519 4.120 -0.000 0.000 0.308 301 V C -0.203 175.872 176.094 -0.031 0.000 1.190 301 V CA -1.394 60.875 62.300 -0.052 0.000 1.037 301 V CB 2.731 34.437 31.823 -0.195 0.000 1.060 301 V HN 0.198 nan 8.190 nan 0.000 0.437 302 E N 1.917 122.028 120.200 -0.148 0.000 2.313 302 E HA 0.610 4.960 4.350 -0.000 0.000 0.276 302 E C -1.012 175.696 176.600 0.180 0.000 1.031 302 E CA -0.025 56.286 56.400 -0.148 0.000 0.857 302 E CB 1.013 30.465 29.700 -0.414 0.000 1.040 302 E HN 1.031 nan 8.360 nan 0.000 0.408 303 Y N 1.294 121.653 120.300 0.100 0.000 2.638 303 Y HA 0.583 5.133 4.550 -0.000 0.000 0.335 303 Y C -1.324 174.799 175.900 0.370 0.000 1.155 303 Y CA -1.576 56.640 58.100 0.193 0.000 1.046 303 Y CB 0.909 39.331 38.460 -0.063 0.000 1.303 303 Y HN 0.450 nan 8.280 nan 0.000 0.460 304 N N 0.515 119.366 118.700 0.252 0.000 2.421 304 N HA 0.601 5.341 4.740 -0.000 0.000 0.285 304 N C -1.214 174.519 175.510 0.372 0.000 1.027 304 N CA -0.330 52.780 53.050 0.101 0.000 0.918 304 N CB 1.158 39.539 38.487 -0.176 0.000 1.152 304 N HN 0.926 nan 8.380 nan 0.000 0.485 305 C N 2.811 122.344 119.300 0.389 0.000 3.327 305 C HA 0.583 5.043 4.460 -0.000 0.000 0.192 305 C C -1.097 174.081 174.990 0.313 0.000 1.603 305 C CA -1.126 58.164 59.018 0.454 0.000 1.222 305 C CB -1.716 26.426 27.740 0.671 0.000 1.981 305 C HN 0.780 nan 8.230 nan 0.000 0.563 306 N N -1.007 117.826 118.700 0.220 0.000 3.521 306 N HA 0.387 5.127 4.740 -0.000 0.000 0.228 306 N C -3.632 171.985 175.510 0.179 0.000 1.328 306 N CA -0.855 52.309 53.050 0.190 0.000 0.907 306 N CB 0.910 39.522 38.487 0.209 0.000 1.487 306 N HN 0.130 nan 8.380 nan 0.000 0.503 307 P HA 0.393 nan 4.420 nan 0.000 0.274 307 P C -0.032 177.274 177.300 0.010 0.000 1.256 307 P CA 0.442 63.568 63.100 0.044 0.000 0.795 307 P CB 1.117 32.778 31.700 -0.064 0.000 1.038 308 G N -0.610 108.054 108.800 -0.226 0.000 2.694 308 G HA2 0.593 4.553 3.960 -0.000 0.000 0.246 308 G HA3 0.593 4.553 3.960 -0.000 0.000 0.246 308 G C -2.013 172.159 174.900 -1.214 0.000 1.205 308 G CA -0.488 44.175 45.100 -0.727 0.000 0.891 308 G HN 0.434 nan 8.290 nan 0.000 0.515 309 Y N -0.298 119.371 120.300 -1.051 0.000 2.615 309 Y HA 0.548 5.098 4.550 -0.000 0.000 0.341 309 Y C -0.027 175.411 175.900 -0.770 0.000 1.089 309 Y CA -0.935 56.646 58.100 -0.865 0.000 1.049 309 Y CB 1.736 39.534 38.460 -1.104 0.000 1.296 309 Y HN 0.353 nan 8.280 nan 0.000 0.470 310 Q N 1.508 121.236 119.800 -0.120 0.000 2.261 310 Q HA 0.308 4.648 4.340 -0.000 0.000 0.252 310 Q C 0.532 176.693 176.000 0.269 0.000 0.915 310 Q CA -0.336 55.501 55.803 0.056 0.000 0.915 310 Q CB 1.673 30.461 28.738 0.084 0.000 1.204 310 Q HN 0.745 nan 8.270 nan 0.000 0.421 311 L N 1.263 122.678 121.223 0.319 0.000 2.083 311 L HA -0.254 4.086 4.340 -0.000 0.000 0.209 311 L C 2.490 179.446 176.870 0.143 0.000 1.083 311 L CA 1.566 56.577 54.840 0.286 0.000 0.752 311 L CB -0.463 41.693 42.059 0.163 0.000 0.899 311 L HN 0.746 nan 8.230 nan 0.000 0.433 312 S N 0.373 116.142 115.700 0.116 0.000 2.351 312 S HA -0.212 4.258 4.470 -0.000 0.000 0.220 312 S C 1.399 176.042 174.600 0.071 0.000 1.035 312 S CA 1.545 59.789 58.200 0.073 0.000 1.031 312 S CB -0.368 62.871 63.200 0.065 0.000 0.928 312 S HN 0.649 nan 8.310 nan 0.000 0.433 313 D N -1.176 119.279 120.400 0.091 0.000 2.520 313 D HA 0.267 4.907 4.640 -0.000 0.000 0.223 313 D C 1.263 177.623 176.300 0.100 0.000 1.186 313 D CA 0.466 54.513 54.000 0.077 0.000 0.821 313 D CB -0.311 40.524 40.800 0.060 0.000 1.072 313 D HN 0.705 nan 8.370 nan 0.000 0.518 314 G N 1.062 109.960 108.800 0.163 0.000 2.168 314 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.263 314 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.263 314 G C 0.444 175.442 174.900 0.165 0.000 0.977 314 G CA 0.678 45.897 45.100 0.198 0.000 0.659 314 G HN 0.886 nan 8.290 nan 0.000 0.533 315 S N -0.657 115.120 115.700 0.127 0.000 2.585 315 S HA 0.577 5.047 4.470 -0.000 0.000 0.273 315 S C 0.536 175.199 174.600 0.105 0.000 1.339 315 S CA 0.395 58.662 58.200 0.111 0.000 1.028 315 S CB 1.758 64.999 63.200 0.067 0.000 0.906 315 S HN 1.173 nan 8.310 nan 0.000 0.528 316 R N 1.157 121.702 120.500 0.075 0.000 2.537 316 R HA 0.358 4.698 4.340 -0.000 0.000 0.280 316 R C -0.727 175.507 176.300 -0.109 0.000 1.058 316 R CA -0.169 55.878 56.100 -0.089 0.000 1.057 316 R CB -0.446 29.820 30.300 -0.057 0.000 0.973 316 R HN 0.666 nan 8.270 nan 0.000 0.438 317 V N 5.055 124.852 119.914 -0.196 0.000 2.334 317 V HA 0.550 4.670 4.120 -0.000 0.000 0.281 317 V C 1.183 177.248 176.094 -0.048 0.000 1.016 317 V CA -0.133 62.138 62.300 -0.049 0.000 0.832 317 V CB 1.405 33.285 31.823 0.095 0.000 0.999 317 V HN 1.053 nan 8.190 nan 0.000 0.439 318 G N 3.311 112.098 108.800 -0.022 0.000 2.535 318 G HA2 0.427 4.387 3.960 -0.000 0.000 0.303 318 G HA3 0.427 4.387 3.960 -0.000 0.000 0.303 318 G C 0.839 175.751 174.900 0.020 0.000 1.237 318 G CA -0.698 44.394 45.100 -0.014 0.000 0.986 318 G HN 0.435 nan 8.290 nan 0.000 0.494 319 M N 0.852 120.470 119.600 0.030 0.000 2.267 319 M HA -0.071 4.409 4.480 -0.000 0.000 0.263 319 M C 2.174 178.495 176.300 0.035 0.000 1.063 319 M CA 1.160 56.490 55.300 0.051 0.000 1.090 319 M CB -0.946 31.695 32.600 0.068 0.000 1.392 319 M HN 0.772 nan 8.290 nan 0.000 0.422 320 D N -0.702 119.709 120.400 0.019 0.000 2.264 320 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 320 D C 0.523 176.821 176.300 -0.002 0.000 0.966 320 D CA 0.509 54.511 54.000 0.005 0.000 0.864 320 D CB -0.492 40.310 40.800 0.003 0.000 0.933 320 D HN 0.278 nan 8.370 nan 0.000 0.499 321 D N 0.598 121.001 120.400 0.005 0.000 2.350 321 D HA 0.007 4.647 4.640 -0.000 0.000 0.249 321 D C 1.186 177.478 176.300 -0.013 0.000 1.119 321 D CA -0.371 53.628 54.000 -0.001 0.000 0.886 321 D CB 1.574 42.382 40.800 0.013 0.000 1.195 321 D HN -0.175 nan 8.370 nan 0.000 0.437 322 R N 3.422 123.905 120.500 -0.027 0.000 2.139 322 R HA -0.136 4.204 4.340 -0.000 0.000 0.243 322 R C 1.789 178.055 176.300 -0.058 0.000 1.145 322 R CA 1.516 57.593 56.100 -0.039 0.000 0.976 322 R CB -0.109 30.169 30.300 -0.037 0.000 0.866 322 R HN 0.460 nan 8.270 nan 0.000 0.449 323 R N -0.596 119.844 120.500 -0.100 0.000 2.241 323 R HA 0.013 4.353 4.340 -0.000 0.000 0.224 323 R C 1.816 177.977 176.300 -0.231 0.000 1.101 323 R CA 0.945 56.902 56.100 -0.238 0.000 0.995 323 R CB -0.194 29.947 30.300 -0.265 0.000 0.870 323 R HN 0.244 nan 8.270 nan 0.000 0.463 324 A N 0.942 123.717 122.820 -0.075 0.000 2.209 324 A HA -0.059 4.261 4.320 -0.000 0.000 0.212 324 A C 0.586 178.216 177.584 0.076 0.000 1.158 324 A CA 0.522 52.562 52.037 0.004 0.000 0.742 324 A CB -0.047 18.991 19.000 0.063 0.000 0.790 324 A HN 0.141 nan 8.150 nan 0.000 0.472 325 N N -0.114 118.626 118.700 0.067 0.000 2.664 325 N HA 0.325 5.065 4.740 -0.000 0.000 0.257 325 N C -1.717 173.863 175.510 0.116 0.000 1.108 325 N CA -0.385 52.743 53.050 0.131 0.000 0.822 325 N CB 0.361 38.920 38.487 0.120 0.000 1.199 325 N HN 0.332 nan 8.380 nan 0.000 0.529 326 H N 2.476 121.573 119.070 0.045 0.000 2.966 326 H HA 0.429 4.985 4.556 -0.000 0.000 0.347 326 H C -1.492 173.957 175.328 0.202 0.000 1.048 326 H CA -0.476 55.533 56.048 -0.065 0.000 1.295 326 H CB 0.398 29.920 29.762 -0.400 0.000 1.744 326 H HN 0.111 nan 8.280 nan 0.000 0.513 327 F N 6.049 125.673 119.950 -0.544 0.000 2.391 327 F HA 0.213 4.740 4.527 -0.000 0.000 0.359 327 F C 0.474 176.033 175.800 -0.403 0.000 1.122 327 F CA -0.706 57.149 58.000 -0.242 0.000 1.120 327 F CB 0.125 39.069 39.000 -0.094 0.000 1.142 327 F HN 0.637 nan 8.300 nan 0.000 0.483 328 F N 1.472 121.532 119.950 0.184 0.000 2.234 328 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 328 F C 1.386 177.469 175.800 0.471 0.000 1.087 328 F CA 0.940 59.118 58.000 0.297 0.000 1.340 328 F CB -0.181 39.055 39.000 0.394 0.000 1.031 328 F HN 0.572 nan 8.300 nan 0.000 0.500 329 W N 1.051 122.620 121.300 0.448 0.000 5.963 329 W HA -0.218 4.442 4.660 -0.000 0.000 0.400 329 W C -0.648 176.267 176.519 0.659 0.000 1.530 329 W CA 0.058 57.719 57.345 0.527 0.000 1.004 329 W CB -1.063 28.642 29.460 0.409 0.000 2.706 329 W HN 0.039 nan 8.180 nan 0.000 1.495 330 A N 2.079 125.285 122.820 0.644 0.000 2.486 330 A HA 0.528 4.848 4.320 -0.000 0.000 0.300 330 A C -0.093 177.821 177.584 0.550 0.000 1.048 330 A CA -0.164 52.228 52.037 0.593 0.000 0.696 330 A CB 0.902 20.208 19.000 0.511 0.000 1.278 330 A HN 0.351 nan 8.150 nan 0.000 0.405 331 N N 0.856 119.861 118.700 0.509 0.000 2.317 331 N HA 0.130 4.870 4.740 -0.000 0.000 0.245 331 N C 0.938 176.282 175.510 -0.278 0.000 1.294 331 N CA 0.232 53.407 53.050 0.209 0.000 0.924 331 N CB 0.347 38.992 38.487 0.262 0.000 1.186 331 N HN 0.624 nan 8.380 nan 0.000 0.495 332 V N -0.341 118.928 119.914 -1.074 0.000 2.392 332 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 332 V C 1.183 176.928 176.094 -0.582 0.000 1.059 332 V CA 1.729 63.034 62.300 -1.658 0.000 1.051 332 V CB -0.946 29.635 31.823 -2.071 0.000 0.658 332 V HN 0.594 nan 8.190 nan 0.000 0.455 333 F N -0.010 119.912 119.950 -0.047 0.000 2.710 333 F HA 0.147 4.674 4.527 -0.000 0.000 0.298 333 F C 1.885 177.784 175.800 0.165 0.000 1.137 333 F CA 0.693 58.779 58.000 0.144 0.000 1.444 333 F CB -0.228 38.830 39.000 0.097 0.000 1.111 333 F HN 0.268 nan 8.300 nan 0.000 0.580 334 D N -2.278 118.296 120.400 0.289 0.000 2.379 334 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 334 D C 1.788 178.246 176.300 0.264 0.000 1.065 334 D CA 0.176 54.346 54.000 0.283 0.000 0.848 334 D CB -0.169 40.817 40.800 0.310 0.000 0.949 334 D HN 0.228 nan 8.370 nan 0.000 0.509 335 Y N 2.238 122.597 120.300 0.098 0.000 2.145 335 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 335 Y C 2.298 178.280 175.900 0.137 0.000 1.145 335 Y CA 1.818 59.976 58.100 0.096 0.000 1.148 335 Y CB 0.186 38.639 38.460 -0.012 0.000 0.981 335 Y HN -0.208 nan 8.280 nan 0.000 0.507 336 K N 0.335 120.881 120.400 0.243 0.000 2.063 336 K HA -0.290 4.030 4.320 -0.000 0.000 0.208 336 K C 2.210 178.861 176.600 0.086 0.000 1.048 336 K CA 2.046 58.459 56.287 0.210 0.000 0.928 336 K CB -0.319 32.342 32.500 0.268 0.000 0.713 336 K HN 0.507 nan 8.250 nan 0.000 0.442 337 E N -0.399 119.871 120.200 0.116 0.000 2.077 337 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 337 E C 1.780 178.445 176.600 0.109 0.000 0.989 337 E CA 0.964 57.428 56.400 0.107 0.000 0.800 337 E CB -0.110 29.669 29.700 0.131 0.000 0.746 337 E HN 0.459 nan 8.360 nan 0.000 0.452 338 A N 1.037 123.927 122.820 0.116 0.000 1.933 338 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 338 A C 2.335 180.053 177.584 0.224 0.000 1.175 338 A CA 1.788 53.948 52.037 0.204 0.000 0.628 338 A CB -0.645 18.544 19.000 0.315 0.000 0.814 338 A HN 0.396 nan 8.150 nan 0.000 0.444 339 A N -0.903 121.938 122.820 0.036 0.000 1.929 339 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 339 A C 2.091 179.787 177.584 0.187 0.000 1.176 339 A CA 1.479 53.617 52.037 0.169 0.000 0.628 339 A CB -0.483 18.521 19.000 0.007 0.000 0.816 339 A HN 0.630 nan 8.150 nan 0.000 0.444 340 Q N -0.318 119.546 119.800 0.106 0.000 2.084 340 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 340 Q C 1.894 177.952 176.000 0.097 0.000 0.978 340 Q CA 1.637 57.491 55.803 0.086 0.000 0.844 340 Q CB -0.206 28.560 28.738 0.046 0.000 0.898 340 Q HN 0.747 nan 8.270 nan 0.000 0.426 341 E N 0.421 120.684 120.200 0.105 0.000 2.118 341 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 341 E C 1.750 178.391 176.600 0.069 0.000 0.992 341 E CA 1.335 57.791 56.400 0.093 0.000 0.804 341 E CB -0.161 29.608 29.700 0.114 0.000 0.741 341 E HN 0.563 nan 8.360 nan 0.000 0.458 342 I N -2.279 118.332 120.570 0.068 0.000 3.956 342 I HA 0.191 4.361 4.170 -0.000 0.000 0.333 342 I C -0.142 176.041 176.117 0.111 0.000 1.302 342 I CA -0.282 61.024 61.300 0.009 0.000 1.122 342 I CB 0.383 38.251 38.000 -0.220 0.000 1.013 342 I HN -0.194 nan 8.210 nan 0.000 0.405 343 D N 1.845 122.336 120.400 0.152 0.000 2.812 343 D HA -0.288 4.352 4.640 -0.000 0.000 0.237 343 D C -0.975 175.483 176.300 0.263 0.000 1.162 343 D CA 0.899 55.002 54.000 0.171 0.000 0.740 343 D CB -1.093 39.777 40.800 0.116 0.000 1.000 343 D HN 0.562 nan 8.370 nan 0.000 0.416 344 F N 1.890 121.932 119.950 0.152 0.000 2.581 344 F HA 0.649 5.176 4.527 -0.000 0.000 0.311 344 F C -1.227 174.770 175.800 0.329 0.000 1.113 344 F CA -0.951 57.151 58.000 0.168 0.000 0.935 344 F CB 1.133 40.215 39.000 0.136 0.000 1.232 344 F HN -0.024 nan 8.300 nan 0.000 0.445 345 F N 2.160 121.860 119.950 -0.418 0.000 2.650 345 F HA 0.617 5.144 4.527 -0.000 0.000 0.320 345 F C -0.497 175.048 175.800 -0.425 0.000 1.091 345 F CA -0.827 57.071 58.000 -0.171 0.000 0.962 345 F CB 1.273 40.292 39.000 0.030 0.000 1.363 345 F HN 0.366 nan 8.300 nan 0.000 0.482 346 D N 0.178 120.683 120.400 0.176 0.000 2.269 346 D HA 0.155 4.795 4.640 -0.000 0.000 0.220 346 D C -0.575 176.001 176.300 0.460 0.000 0.962 346 D CA 1.765 55.918 54.000 0.255 0.000 0.884 346 D CB 0.247 41.334 40.800 0.477 0.000 1.023 346 D HN 0.419 nan 8.370 nan 0.000 0.484 347 F N -1.460 118.705 119.950 0.358 0.000 2.686 347 F HA 0.545 5.072 4.527 -0.000 0.000 0.311 347 F C -1.569 174.405 175.800 0.290 0.000 1.128 347 F CA -1.517 56.675 58.000 0.321 0.000 0.946 347 F CB 1.124 40.273 39.000 0.249 0.000 1.336 347 F HN -0.481 nan 8.300 nan 0.000 0.457 348 R N 1.575 122.121 120.500 0.077 0.000 2.294 348 R HA 0.211 4.551 4.340 -0.000 0.000 0.319 348 R C -0.471 175.741 176.300 -0.148 0.000 0.984 348 R CA -0.864 55.134 56.100 -0.169 0.000 0.861 348 R CB 0.825 31.061 30.300 -0.107 0.000 1.104 348 R HN 0.751 nan 8.270 nan 0.000 0.451 349 H N 1.979 120.801 119.070 -0.413 0.000 2.964 349 H HA -0.033 4.523 4.556 -0.000 0.000 0.328 349 H C 0.760 176.057 175.328 -0.051 0.000 1.030 349 H CA 0.546 56.487 56.048 -0.178 0.000 1.445 349 H CB 1.228 30.841 29.762 -0.248 0.000 1.449 349 H HN 0.810 nan 8.280 nan 0.000 0.581 350 A N 3.932 126.562 122.820 -0.317 0.000 2.019 350 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 350 A C 2.138 179.689 177.584 -0.054 0.000 1.164 350 A CA 1.875 53.820 52.037 -0.152 0.000 0.644 350 A CB -0.147 18.757 19.000 -0.161 0.000 0.805 350 A HN 0.766 nan 8.150 nan 0.000 0.449 351 T N -1.325 113.267 114.554 0.062 0.000 2.988 351 T HA -0.022 4.328 4.350 -0.000 0.000 0.240 351 T C 2.160 176.890 174.700 0.050 0.000 1.014 351 T CA 1.562 63.745 62.100 0.138 0.000 1.155 351 T CB -0.334 68.657 68.868 0.204 0.000 0.872 351 T HN 0.710 nan 8.240 nan 0.000 0.440 352 T N -0.686 113.850 114.554 -0.031 0.000 3.054 352 T HA 0.324 4.674 4.350 -0.000 0.000 0.259 352 T C 1.964 176.431 174.700 -0.388 0.000 1.092 352 T CA 1.112 62.765 62.100 -0.745 0.000 1.121 352 T CB -0.339 67.712 68.868 -1.362 0.000 0.912 352 T HN 0.555 nan 8.240 nan 0.000 0.489 353 G N 1.481 110.193 108.800 -0.146 0.000 2.184 353 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.264 353 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.264 353 G C 0.337 175.126 174.900 -0.185 0.000 0.975 353 G CA 0.101 45.132 45.100 -0.116 0.000 0.642 353 G HN 1.273 nan 8.290 nan 0.000 0.536 354 A N 0.197 122.864 122.820 -0.256 0.000 2.477 354 A HA 0.745 5.065 4.320 -0.000 0.000 0.246 354 A C 1.023 178.317 177.584 -0.483 0.000 1.078 354 A CA 0.949 52.791 52.037 -0.325 0.000 0.770 354 A CB 0.411 19.201 19.000 -0.351 0.000 1.011 354 A HN 2.098 nan 8.150 nan 0.000 0.494 355 A N 2.628 125.099 122.820 -0.582 0.000 2.492 355 A HA 0.542 4.862 4.320 -0.000 0.000 0.254 355 A C -0.064 177.145 177.584 -0.625 0.000 1.091 355 A CA 0.190 51.631 52.037 -0.993 0.000 0.768 355 A CB -0.321 17.711 19.000 -1.614 0.000 1.028 355 A HN 0.823 nan 8.150 nan 0.000 0.498 356 L N 4.248 125.104 121.223 -0.611 0.000 2.371 356 L HA 0.557 4.896 4.340 -0.000 0.000 0.262 356 L C -2.340 174.339 176.870 -0.318 0.000 1.006 356 L CA -2.270 52.151 54.840 -0.698 0.000 0.818 356 L CB 2.953 44.223 42.059 -1.314 0.000 1.354 356 L HN 0.484 nan 8.230 nan 0.000 0.415 357 P HA 0.243 nan 4.420 nan 0.000 0.284 357 P C -1.563 175.738 177.300 0.003 0.000 1.258 357 P CA -0.705 62.381 63.100 -0.023 0.000 0.824 357 P CB 1.667 33.342 31.700 -0.041 0.000 1.038 358 K N 2.398 122.830 120.400 0.055 0.000 2.307 358 K HA 0.412 4.732 4.320 -0.000 0.000 0.263 358 K C -0.897 175.499 176.600 -0.339 0.000 0.973 358 K CA -0.503 55.680 56.287 -0.173 0.000 0.846 358 K CB 0.157 32.424 32.500 -0.388 0.000 1.100 358 K HN 0.253 nan 8.250 nan 0.000 0.438 359 L N 3.885 124.842 121.223 -0.444 0.000 2.325 359 L HA 0.496 4.836 4.340 -0.000 0.000 0.279 359 L C -0.512 175.954 176.870 -0.674 0.000 1.054 359 L CA -0.470 53.994 54.840 -0.625 0.000 0.804 359 L CB 1.333 42.980 42.059 -0.686 0.000 1.200 359 L HN 0.743 nan 8.230 nan 0.000 0.436 360 Q N 0.506 119.860 119.800 -0.743 0.000 2.323 360 Q HA 0.330 4.670 4.340 -0.000 0.000 0.271 360 Q C -0.746 174.677 176.000 -0.963 0.000 1.048 360 Q CA -0.787 54.518 55.803 -0.831 0.000 0.792 360 Q CB 1.445 29.716 28.738 -0.779 0.000 1.280 360 Q HN 0.656 nan 8.270 nan 0.000 0.441 361 H N -0.416 118.498 119.070 -0.261 0.000 1.866 361 H HA -0.153 4.403 4.556 -0.000 0.000 0.324 361 H C -2.201 172.940 175.328 -0.312 0.000 0.849 361 H CA 0.073 55.984 56.048 -0.227 0.000 1.069 361 H CB -1.165 28.550 29.762 -0.079 0.000 1.560 361 H HN 0.375 nan 8.280 nan 0.000 0.300 362 P HA 0.085 nan 4.420 nan 0.000 0.214 362 P C 0.128 177.255 177.300 -0.289 0.000 1.807 362 P CA -0.243 62.526 63.100 -0.552 0.000 0.921 362 P CB 0.557 31.451 31.700 -1.344 0.000 1.835 363 E N 1.196 121.340 120.200 -0.094 0.000 2.077 363 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 363 E C 2.255 178.781 176.600 -0.122 0.000 0.989 363 E CA 1.883 58.274 56.400 -0.015 0.000 0.800 363 E CB -0.771 28.935 29.700 0.009 0.000 0.746 363 E HN 0.324 nan 8.360 nan 0.000 0.452 364 A N 0.916 123.628 122.820 -0.180 0.000 1.877 364 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 364 A C 1.933 178.982 177.584 -0.892 0.000 1.186 364 A CA 1.805 53.655 52.037 -0.313 0.000 0.620 364 A CB -0.514 18.404 19.000 -0.137 0.000 0.822 364 A HN 0.164 nan 8.150 nan 0.000 0.443 365 E N -0.601 119.014 120.200 -0.976 0.000 2.208 365 E HA -0.050 4.300 4.350 -0.000 0.000 0.193 365 E C 1.922 178.272 176.600 -0.418 0.000 0.988 365 E CA 1.433 57.027 56.400 -1.342 0.000 0.828 365 E CB -0.390 28.970 29.700 -0.566 0.000 0.763 365 E HN 0.570 nan 8.360 nan 0.000 0.478 366 T N 0.449 114.955 114.554 -0.080 0.000 2.812 366 T HA -0.074 4.276 4.350 -0.000 0.000 0.264 366 T C 1.352 176.205 174.700 0.255 0.000 1.042 366 T CA 0.637 62.872 62.100 0.225 0.000 1.140 366 T CB -0.324 68.745 68.868 0.336 0.000 0.870 366 T HN 0.141 nan 8.240 nan 0.000 0.445 367 F N 1.246 121.185 119.950 -0.018 0.000 2.216 367 F HA 0.062 4.589 4.527 -0.000 0.000 0.300 367 F C 0.224 176.148 175.800 0.206 0.000 1.085 367 F CA -0.313 57.724 58.000 0.062 0.000 1.326 367 F CB -0.353 38.611 39.000 -0.061 0.000 1.027 367 F HN 0.129 nan 8.300 nan 0.000 0.497 368 W N 1.499 122.837 121.300 0.063 0.000 2.385 368 W HA 0.323 4.983 4.660 -0.000 0.000 0.336 368 W C 1.533 178.000 176.519 -0.086 0.000 1.351 368 W CA 0.600 57.935 57.345 -0.017 0.000 1.295 368 W CB -0.964 28.528 29.460 0.053 0.000 1.239 368 W HN 0.409 nan 8.180 nan 0.000 0.565 369 G N 1.766 110.624 108.800 0.098 0.000 2.179 369 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 369 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 369 G C 0.542 175.424 174.900 -0.030 0.000 0.977 369 G CA 0.358 45.463 45.100 0.009 0.000 0.641 369 G HN 0.818 nan 8.290 nan 0.000 0.533 370 S N -0.510 115.143 115.700 -0.079 0.000 2.589 370 S HA 0.516 4.986 4.470 -0.000 0.000 0.265 370 S C 1.638 176.172 174.600 -0.109 0.000 1.342 370 S CA 0.084 58.240 58.200 -0.073 0.000 1.005 370 S CB 1.864 65.039 63.200 -0.042 0.000 0.909 370 S HN 0.823 nan 8.310 nan 0.000 0.555 371 V N 1.787 121.643 119.914 -0.097 0.000 2.332 371 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 371 V C 2.377 178.388 176.094 -0.137 0.000 1.055 371 V CA 2.452 64.666 62.300 -0.143 0.000 1.038 371 V CB -1.496 30.204 31.823 -0.204 0.000 0.651 371 V HN 0.961 nan 8.190 nan 0.000 0.450 372 H N -0.663 118.416 119.070 0.015 0.000 2.326 372 H HA -0.122 4.434 4.556 -0.000 0.000 0.301 372 H C 2.482 177.809 175.328 -0.002 0.000 1.081 372 H CA 1.551 57.667 56.048 0.112 0.000 1.334 372 H CB 0.018 29.998 29.762 0.363 0.000 1.385 372 H HN 0.328 nan 8.280 nan 0.000 0.504 373 E N 1.234 121.260 120.200 -0.291 0.000 2.077 373 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 373 E C 1.960 178.493 176.600 -0.111 0.000 0.989 373 E CA 0.843 57.000 56.400 -0.405 0.000 0.800 373 E CB 0.133 29.313 29.700 -0.868 0.000 0.746 373 E HN 0.341 nan 8.360 nan 0.000 0.452 374 R N 0.588 121.024 120.500 -0.107 0.000 2.152 374 R HA -0.019 4.321 4.340 -0.000 0.000 0.232 374 R C 1.457 177.732 176.300 -0.041 0.000 1.117 374 R CA 0.546 56.606 56.100 -0.067 0.000 0.981 374 R CB -0.517 29.745 30.300 -0.063 0.000 0.870 374 R HN 0.236 nan 8.270 nan 0.000 0.451 375 N N -0.024 118.669 118.700 -0.011 0.000 2.314 375 N HA 0.018 4.758 4.740 -0.000 0.000 0.200 375 N C 0.603 176.141 175.510 0.047 0.000 1.135 375 N CA 0.776 53.834 53.050 0.013 0.000 0.835 375 N CB 0.890 39.388 38.487 0.019 0.000 0.989 375 N HN 0.360 nan 8.380 nan 0.000 0.478 376 G N 0.328 109.160 108.800 0.053 0.000 2.143 376 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.249 376 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.249 376 G C 0.123 175.116 174.900 0.155 0.000 0.981 376 G CA 0.152 45.295 45.100 0.073 0.000 0.665 376 G HN 0.169 nan 8.290 nan 0.000 0.528 377 V N 0.292 120.349 119.914 0.238 0.000 2.732 377 V HA 0.743 4.863 4.120 -0.000 0.000 0.297 377 V C 0.808 177.169 176.094 0.445 0.000 1.060 377 V CA 0.309 62.798 62.300 0.315 0.000 1.038 377 V CB 1.441 33.499 31.823 0.391 0.000 1.003 377 V HN 1.338 nan 8.190 nan 0.000 0.481 378 A N 1.922 124.917 122.820 0.291 0.000 2.479 378 A HA 0.490 4.810 4.320 -0.000 0.000 0.296 378 A C 0.926 178.512 177.584 0.003 0.000 1.121 378 A CA -0.190 51.990 52.037 0.239 0.000 0.743 378 A CB 0.971 20.100 19.000 0.214 0.000 1.323 378 A HN 0.864 nan 8.150 nan 0.000 0.415 379 C N 0.177 119.408 119.300 -0.116 0.000 2.375 379 C HA -0.137 4.323 4.460 -0.000 0.000 0.274 379 C C 3.027 178.003 174.990 -0.022 0.000 1.190 379 C CA 1.786 60.717 59.018 -0.144 0.000 1.775 379 C CB -1.699 25.958 27.740 -0.138 0.000 2.067 379 C HN 0.951 nan 8.230 nan 0.000 0.463 380 A N 0.652 123.467 122.820 -0.009 0.000 2.019 380 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 380 A C 1.792 179.364 177.584 -0.020 0.000 1.164 380 A CA 1.958 53.990 52.037 -0.008 0.000 0.644 380 A CB -0.519 18.473 19.000 -0.013 0.000 0.805 380 A HN 0.604 nan 8.150 nan 0.000 0.449 381 D N -0.459 119.933 120.400 -0.013 0.000 2.149 381 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 381 D C 1.763 178.022 176.300 -0.067 0.000 0.990 381 D CA 1.603 55.594 54.000 -0.015 0.000 0.839 381 D CB -0.283 40.533 40.800 0.026 0.000 0.948 381 D HN 0.506 nan 8.370 nan 0.000 0.460 382 C N -0.724 118.489 119.300 -0.146 0.000 2.674 382 C HA 0.122 4.582 4.460 -0.000 0.000 0.276 382 C C 1.997 176.752 174.990 -0.392 0.000 1.300 382 C CA -0.170 58.670 59.018 -0.297 0.000 1.732 382 C CB -0.366 27.112 27.740 -0.436 0.000 2.076 382 C HN 0.404 nan 8.230 nan 0.000 0.548 383 H N 0.011 119.027 119.070 -0.090 0.000 2.885 383 H HA 0.244 4.800 4.556 -0.000 0.000 0.260 383 H C 0.740 176.014 175.328 -0.090 0.000 0.985 383 H CA 0.675 56.661 56.048 -0.103 0.000 1.210 383 H CB 0.281 29.965 29.762 -0.130 0.000 1.466 383 H HN 0.514 nan 8.280 nan 0.000 0.493 384 M N 0.268 119.874 119.600 0.011 0.000 3.432 384 M HA 0.407 4.887 4.480 -0.000 0.000 0.390 384 M C -3.315 172.958 176.300 -0.044 0.000 1.811 384 M CA -1.797 53.487 55.300 -0.025 0.000 0.536 384 M CB 2.384 34.949 32.600 -0.057 0.000 1.681 384 M HN -0.291 nan 8.290 nan 0.000 0.462 385 P HA 0.283 nan 4.420 nan 0.000 0.276 385 P C -0.728 176.530 177.300 -0.070 0.000 1.261 385 P CA -0.111 62.960 63.100 -0.050 0.000 0.800 385 P CB 0.788 32.458 31.700 -0.050 0.000 1.066 386 K N 0.073 120.433 120.400 -0.067 0.000 2.436 386 K HA 0.177 4.497 4.320 -0.000 0.000 0.275 386 K C -0.122 176.384 176.600 -0.156 0.000 0.999 386 K CA -0.348 55.876 56.287 -0.105 0.000 0.980 386 K CB 0.101 32.564 32.500 -0.062 0.000 0.919 386 K HN 0.188 nan 8.250 nan 0.000 0.484 387 V N 2.508 122.248 119.914 -0.290 0.000 2.686 387 V HA 0.111 4.231 4.120 -0.000 0.000 0.295 387 V C 0.607 176.608 176.094 -0.155 0.000 1.055 387 V CA -0.078 62.051 62.300 -0.285 0.000 1.050 387 V CB 1.016 32.507 31.823 -0.553 0.000 0.984 387 V HN 0.843 nan 8.190 nan 0.000 0.482 388 Q N 5.101 124.847 119.800 -0.090 0.000 2.307 388 Q HA 0.752 5.092 4.340 -0.000 0.000 0.262 388 Q C -1.057 174.929 176.000 -0.024 0.000 0.961 388 Q CA -0.464 55.312 55.803 -0.045 0.000 0.882 388 Q CB 1.425 30.146 28.738 -0.027 0.000 1.264 388 Q HN 0.746 nan 8.270 nan 0.000 0.446 389 L N 1.658 122.877 121.223 -0.006 0.000 2.386 389 L HA 0.398 4.738 4.340 -0.000 0.000 0.271 389 L C 1.000 177.879 176.870 0.016 0.000 0.993 389 L CA -0.759 54.090 54.840 0.014 0.000 0.819 389 L CB 2.381 44.462 42.059 0.036 0.000 1.294 389 L HN 0.910 nan 8.230 nan 0.000 0.414 390 E N 1.070 121.281 120.200 0.018 0.000 2.110 390 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 390 E C -0.157 176.455 176.600 0.020 0.000 0.988 390 E CA 1.072 57.482 56.400 0.017 0.000 0.804 390 E CB 0.186 29.896 29.700 0.016 0.000 0.745 390 E HN 0.455 nan 8.360 nan 0.000 0.458 391 N N -0.374 118.342 118.700 0.026 0.000 2.549 391 N HA 0.411 5.151 4.740 -0.000 0.000 0.290 391 N C -0.717 174.816 175.510 0.038 0.000 1.122 391 N CA -0.008 53.059 53.050 0.028 0.000 0.885 391 N CB 2.026 40.527 38.487 0.025 0.000 1.455 391 N HN 0.159 nan 8.380 nan 0.000 0.521 392 G N 0.664 109.490 108.800 0.043 0.000 2.321 392 G HA2 0.062 4.022 3.960 -0.000 0.000 0.298 392 G HA3 0.062 4.022 3.960 -0.000 0.000 0.298 392 G C -1.742 173.199 174.900 0.068 0.000 1.385 392 G CA -0.881 44.255 45.100 0.060 0.000 0.856 392 G HN 0.360 nan 8.290 nan 0.000 0.584 393 K N 0.543 120.996 120.400 0.088 0.000 2.312 393 K HA 0.506 4.826 4.320 -0.000 0.000 0.287 393 K C 0.380 177.073 176.600 0.155 0.000 1.062 393 K CA -0.501 55.846 56.287 0.101 0.000 0.934 393 K CB 1.299 33.855 32.500 0.094 0.000 1.027 393 K HN 0.580 nan 8.250 nan 0.000 0.478 394 V N 6.637 126.617 119.914 0.110 0.000 2.740 394 V HA 0.138 4.258 4.120 -0.000 0.000 0.303 394 V C -0.941 175.260 176.094 0.178 0.000 1.054 394 V CA 0.360 62.711 62.300 0.085 0.000 1.106 394 V CB -0.113 31.726 31.823 0.027 0.000 0.957 394 V HN 0.777 nan 8.190 nan 0.000 0.486 395 Y N 2.204 122.532 120.300 0.046 0.000 2.677 395 Y HA 0.722 5.272 4.550 -0.000 0.000 0.334 395 Y C -0.364 175.583 175.900 0.079 0.000 1.154 395 Y CA -1.207 56.929 58.100 0.060 0.000 1.070 395 Y CB 1.174 39.670 38.460 0.060 0.000 1.294 395 Y HN 0.398 nan 8.280 nan 0.000 0.475 396 T N 1.957 116.622 114.554 0.184 0.000 2.743 396 T HA 0.291 4.641 4.350 -0.000 0.000 0.293 396 T C -0.090 174.753 174.700 0.237 0.000 0.945 396 T CA -0.479 61.685 62.100 0.107 0.000 1.030 396 T CB 0.793 69.752 68.868 0.152 0.000 0.912 396 T HN 0.756 nan 8.240 nan 0.000 0.483 397 S N 2.058 117.768 115.700 0.016 0.000 2.537 397 S HA -0.004 4.466 4.470 -0.000 0.000 0.286 397 S C 0.368 175.099 174.600 0.218 0.000 1.299 397 S CA -0.142 58.142 58.200 0.139 0.000 1.067 397 S CB 0.080 63.283 63.200 0.005 0.000 0.864 397 S HN 0.736 nan 8.310 nan 0.000 0.494 398 H N 2.389 121.559 119.070 0.167 0.000 2.505 398 H HA 0.333 4.889 4.556 -0.000 0.000 0.286 398 H C 0.284 175.708 175.328 0.160 0.000 1.072 398 H CA 0.014 56.172 56.048 0.183 0.000 1.141 398 H CB 0.415 30.313 29.762 0.227 0.000 1.550 398 H HN 0.410 nan 8.280 nan 0.000 0.547 399 S N 1.468 117.254 115.700 0.143 0.000 2.473 399 S HA 0.137 4.607 4.470 -0.000 0.000 0.312 399 S C -0.239 174.352 174.600 -0.015 0.000 1.087 399 S CA -0.711 57.499 58.200 0.017 0.000 1.077 399 S CB -0.083 63.101 63.200 -0.027 0.000 1.065 399 S HN 0.305 nan 8.310 nan 0.000 0.510 400 Q N 4.074 123.855 119.800 -0.032 0.000 2.344 400 Q HA 0.444 4.784 4.340 -0.000 0.000 0.253 400 Q C 0.286 176.172 176.000 -0.189 0.000 1.050 400 Q CA 0.107 55.858 55.803 -0.086 0.000 0.912 400 Q CB 0.495 29.194 28.738 -0.066 0.000 1.258 400 Q HN 0.762 nan 8.270 nan 0.000 0.443 401 R N -0.569 119.883 120.500 -0.079 0.000 2.747 401 R HA 0.571 4.911 4.340 -0.000 0.000 0.272 401 R C -0.777 175.570 176.300 0.078 0.000 1.032 401 R CA -1.011 55.044 56.100 -0.075 0.000 0.896 401 R CB 0.608 30.849 30.300 -0.099 0.000 1.253 401 R HN 0.318 nan 8.270 nan 0.000 0.461 402 T N 1.265 115.830 114.554 0.019 0.000 2.946 402 T HA 0.116 4.466 4.350 -0.000 0.000 0.311 402 T C -1.287 173.382 174.700 -0.052 0.000 1.063 402 T CA -1.310 60.806 62.100 0.027 0.000 1.139 402 T CB 0.599 69.434 68.868 -0.054 0.000 0.994 402 T HN 0.510 nan 8.240 nan 0.000 0.547 403 P HA -0.073 nan 4.420 nan 0.000 0.225 403 P C 1.247 178.471 177.300 -0.126 0.000 1.148 403 P CA 0.829 63.827 63.100 -0.170 0.000 0.779 403 P CB 0.093 31.638 31.700 -0.259 0.000 0.780 404 R N 0.098 120.523 120.500 -0.125 0.000 2.170 404 R HA -0.144 4.196 4.340 -0.000 0.000 0.242 404 R C 1.301 177.555 176.300 -0.077 0.000 1.145 404 R CA 1.517 57.555 56.100 -0.102 0.000 0.984 404 R CB -0.618 29.622 30.300 -0.100 0.000 0.869 404 R HN 0.220 nan 8.270 nan 0.000 0.455 405 D N -0.160 120.196 120.400 -0.073 0.000 2.355 405 D HA -0.031 4.609 4.640 -0.000 0.000 0.218 405 D C 0.950 177.221 176.300 -0.049 0.000 1.004 405 D CA 0.845 54.810 54.000 -0.058 0.000 0.880 405 D CB 0.342 41.106 40.800 -0.060 0.000 0.911 405 D HN 0.307 nan 8.370 nan 0.000 0.528 406 M N -2.119 117.449 119.600 -0.054 0.000 4.981 406 M HA 0.244 4.724 4.480 -0.000 0.000 0.584 406 M C -0.020 176.255 176.300 -0.041 0.000 2.270 406 M CA -0.249 55.025 55.300 -0.044 0.000 0.414 406 M CB 0.735 33.307 32.600 -0.046 0.000 1.445 406 M HN -0.309 nan 8.290 nan 0.000 0.634 407 M N 0.861 120.439 119.600 -0.036 0.000 2.213 407 M HA 0.030 4.510 4.480 -0.000 0.000 0.263 407 M C 2.009 178.315 176.300 0.010 0.000 1.062 407 M CA 2.163 57.450 55.300 -0.023 0.000 1.105 407 M CB -1.215 31.369 32.600 -0.026 0.000 1.385 407 M HN 0.762 nan 8.290 nan 0.000 0.417 408 G N 0.084 108.889 108.800 0.008 0.000 2.446 408 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 408 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 408 G C 1.410 176.322 174.900 0.020 0.000 1.168 408 G CA 0.833 45.946 45.100 0.021 0.000 0.771 408 G HN 0.484 nan 8.290 nan 0.000 0.551 409 Q N -0.041 119.758 119.800 -0.001 0.000 2.302 409 Q HA 0.451 4.791 4.340 -0.000 0.000 0.202 409 Q C 2.481 178.476 176.000 -0.008 0.000 0.936 409 Q CA 0.990 56.788 55.803 -0.009 0.000 0.886 409 Q CB 0.041 28.761 28.738 -0.030 0.000 0.986 409 Q HN 0.436 nan 8.270 nan 0.000 0.487 410 A N -1.356 121.455 122.820 -0.017 0.000 2.095 410 A HA 0.078 4.398 4.320 -0.000 0.000 0.212 410 A C 1.653 179.245 177.584 0.013 0.000 1.162 410 A CA 0.668 52.684 52.037 -0.035 0.000 0.753 410 A CB 0.025 18.969 19.000 -0.094 0.000 0.840 410 A HN 0.428 nan 8.150 nan 0.000 0.468 411 C N -2.415 116.928 119.300 0.071 0.000 3.003 411 C HA 0.312 4.772 4.460 -0.000 0.000 0.499 411 C C 2.148 177.297 174.990 0.265 0.000 1.327 411 C CA 0.192 59.326 59.018 0.194 0.000 2.544 411 C CB -0.765 27.074 27.740 0.165 0.000 3.143 411 C HN 0.510 nan 8.230 nan 0.000 0.510 412 L N 1.869 123.203 121.223 0.185 0.000 2.313 412 L HA -0.007 4.333 4.340 -0.000 0.000 0.214 412 L C 1.866 178.815 176.870 0.132 0.000 1.119 412 L CA 0.932 55.890 54.840 0.197 0.000 0.809 412 L CB -0.638 41.509 42.059 0.146 0.000 0.933 412 L HN 0.435 nan 8.230 nan 0.000 0.449 413 N N -0.210 118.542 118.700 0.087 0.000 2.166 413 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 413 N C 1.835 177.360 175.510 0.024 0.000 1.019 413 N CA 1.313 54.391 53.050 0.047 0.000 0.856 413 N CB -0.339 38.166 38.487 0.029 0.000 0.993 413 N HN 0.320 nan 8.380 nan 0.000 0.426 414 C N -0.489 118.825 119.300 0.023 0.000 2.492 414 C HA 0.062 4.522 4.460 -0.000 0.000 0.279 414 C C 0.900 175.775 174.990 -0.191 0.000 1.335 414 C CA -0.099 58.864 59.018 -0.093 0.000 1.734 414 C CB -0.793 26.869 27.740 -0.130 0.000 2.027 414 C HN 0.437 nan 8.230 nan 0.000 0.496 415 H N 0.621 119.724 119.070 0.055 0.000 2.508 415 H HA 0.318 4.874 4.556 -0.000 0.000 0.224 415 H C 1.198 176.542 175.328 0.027 0.000 1.723 415 H CA 0.314 56.358 56.048 -0.006 0.000 1.251 415 H CB 0.199 30.000 29.762 0.067 0.000 1.627 415 H HN 0.395 nan 8.280 nan 0.000 0.543 416 A N 2.059 124.910 122.820 0.052 0.000 2.070 416 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 416 A C 2.188 179.808 177.584 0.060 0.000 1.159 416 A CA 1.191 53.260 52.037 0.054 0.000 0.656 416 A CB -0.037 18.970 19.000 0.012 0.000 0.800 416 A HN 0.579 nan 8.150 nan 0.000 0.453 417 E N -1.671 118.533 120.200 0.006 0.000 2.478 417 E HA -0.115 4.235 4.350 -0.000 0.000 0.198 417 E C -0.310 176.369 176.600 0.132 0.000 1.046 417 E CA 0.107 56.501 56.400 -0.009 0.000 0.870 417 E CB -0.095 29.519 29.700 -0.143 0.000 0.818 417 E HN 0.616 nan 8.360 nan 0.000 0.527 418 W N 2.107 123.448 121.300 0.067 0.000 2.689 418 W HA 0.336 4.996 4.660 -0.000 0.000 0.340 418 W C 0.312 176.851 176.519 0.033 0.000 1.060 418 W CA -1.272 56.100 57.345 0.046 0.000 1.218 418 W CB 1.363 30.855 29.460 0.053 0.000 1.410 418 W HN -0.158 nan 8.180 nan 0.000 0.528 419 T N -2.081 112.606 114.554 0.221 0.000 2.816 419 T HA 0.136 4.486 4.350 -0.000 0.000 0.282 419 T C 1.016 175.737 174.700 0.036 0.000 0.993 419 T CA -0.274 61.882 62.100 0.093 0.000 0.994 419 T CB 1.541 70.426 68.868 0.028 0.000 1.025 419 T HN 0.569 nan 8.240 nan 0.000 0.529 420 E N 0.257 120.463 120.200 0.011 0.000 2.058 420 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 420 E C 1.357 177.902 176.600 -0.091 0.000 0.997 420 E CA 1.744 58.127 56.400 -0.028 0.000 0.801 420 E CB -0.200 29.488 29.700 -0.019 0.000 0.746 420 E HN 0.692 nan 8.360 nan 0.000 0.450 421 D N 0.108 120.455 120.400 -0.088 0.000 2.144 421 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 421 D C 2.002 178.194 176.300 -0.181 0.000 0.984 421 D CA 1.047 54.983 54.000 -0.108 0.000 0.834 421 D CB -0.162 40.580 40.800 -0.095 0.000 0.955 421 D HN 0.351 nan 8.370 nan 0.000 0.465 422 Q N 0.017 119.655 119.800 -0.270 0.000 2.079 422 Q HA -0.019 4.321 4.340 -0.000 0.000 0.200 422 Q C 2.214 177.686 176.000 -0.879 0.000 0.974 422 Q CA 1.253 56.755 55.803 -0.502 0.000 0.840 422 Q CB -0.066 28.360 28.738 -0.519 0.000 0.898 422 Q HN 0.216 nan 8.270 nan 0.000 0.430 423 A N 0.973 123.301 122.820 -0.821 0.000 1.877 423 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 423 A C 2.074 179.387 177.584 -0.450 0.000 1.186 423 A CA 1.124 52.663 52.037 -0.829 0.000 0.620 423 A CB -0.720 18.128 19.000 -0.252 0.000 0.822 423 A HN 0.283 nan 8.150 nan 0.000 0.443 424 L N -2.300 118.768 121.223 -0.258 0.000 2.046 424 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 424 L C 2.592 179.413 176.870 -0.082 0.000 1.077 424 L CA 1.798 56.550 54.840 -0.148 0.000 0.747 424 L CB -0.656 41.347 42.059 -0.092 0.000 0.896 424 L HN 0.564 nan 8.230 nan 0.000 0.432 425 Y N 0.632 120.797 120.300 -0.226 0.000 2.181 425 Y HA -0.282 4.268 4.550 -0.000 0.000 0.288 425 Y C 2.490 178.339 175.900 -0.086 0.000 1.146 425 Y CA 1.286 59.304 58.100 -0.137 0.000 1.164 425 Y CB -0.221 38.145 38.460 -0.156 0.000 0.982 425 Y HN 0.117 nan 8.280 nan 0.000 0.515 426 A N 0.098 122.853 122.820 -0.108 0.000 1.898 426 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 426 A C 2.270 179.911 177.584 0.094 0.000 1.181 426 A CA 1.842 53.842 52.037 -0.062 0.000 0.620 426 A CB -1.051 17.829 19.000 -0.199 0.000 0.819 426 A HN 0.546 nan 8.150 nan 0.000 0.442 427 I N -0.053 120.545 120.570 0.046 0.000 2.142 427 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 427 I C 1.890 178.067 176.117 0.101 0.000 1.078 427 I CA 1.623 62.981 61.300 0.097 0.000 1.343 427 I CB -0.470 37.415 38.000 -0.191 0.000 1.046 427 I HN 0.246 nan 8.210 nan 0.000 0.405 428 D N -0.092 120.310 120.400 0.003 0.000 2.144 428 D HA -0.220 4.420 4.640 -0.000 0.000 0.199 428 D C 1.927 178.227 176.300 -0.001 0.000 0.984 428 D CA 1.216 55.204 54.000 -0.019 0.000 0.834 428 D CB -0.361 40.398 40.800 -0.069 0.000 0.955 428 D HN 0.327 nan 8.370 nan 0.000 0.465 429 Y N 1.512 121.718 120.300 -0.156 0.000 2.081 429 Y HA -0.239 4.311 4.550 -0.000 0.000 0.280 429 Y C 2.269 178.178 175.900 0.015 0.000 1.163 429 Y CA 1.449 59.468 58.100 -0.134 0.000 1.135 429 Y CB -0.422 37.928 38.460 -0.183 0.000 0.970 429 Y HN -0.087 nan 8.280 nan 0.000 0.498 430 I N -0.023 120.750 120.570 0.339 0.000 2.179 430 I HA -0.337 3.833 4.170 -0.000 0.000 0.242 430 I C 2.347 178.601 176.117 0.229 0.000 1.088 430 I CA 1.735 63.217 61.300 0.302 0.000 1.357 430 I CB -0.412 37.764 38.000 0.294 0.000 1.051 430 I HN 0.156 nan 8.210 nan 0.000 0.409 431 K N 0.472 120.979 120.400 0.180 0.000 2.057 431 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 431 K C 1.921 178.581 176.600 0.101 0.000 1.050 431 K CA 1.316 57.679 56.287 0.126 0.000 0.935 431 K CB -0.274 32.268 32.500 0.070 0.000 0.715 431 K HN 0.276 nan 8.250 nan 0.000 0.439 432 N N 0.624 119.358 118.700 0.057 0.000 2.084 432 N HA -0.192 4.548 4.740 -0.000 0.000 0.190 432 N C 1.696 177.241 175.510 0.058 0.000 1.030 432 N CA 1.178 54.248 53.050 0.033 0.000 0.849 432 N CB -0.516 37.937 38.487 -0.057 0.000 1.012 432 N HN 0.226 nan 8.380 nan 0.000 0.423 433 Y N 1.931 122.185 120.300 -0.077 0.000 2.145 433 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 433 Y C 2.277 178.170 175.900 -0.012 0.000 1.145 433 Y CA 1.734 59.788 58.100 -0.075 0.000 1.148 433 Y CB -0.711 37.696 38.460 -0.089 0.000 0.981 433 Y HN -0.004 nan 8.280 nan 0.000 0.507 434 T N -0.940 113.610 114.554 -0.007 0.000 2.708 434 T HA -0.251 4.099 4.350 -0.000 0.000 0.266 434 T C 1.566 176.234 174.700 -0.053 0.000 1.037 434 T CA 1.915 63.962 62.100 -0.089 0.000 1.146 434 T CB -0.660 68.227 68.868 0.030 0.000 0.865 434 T HN 0.568 nan 8.240 nan 0.000 0.435 435 H N 0.974 120.018 119.070 -0.043 0.000 2.387 435 H HA 0.023 4.579 4.556 -0.000 0.000 0.299 435 H C 2.343 177.652 175.328 -0.031 0.000 1.090 435 H CA 1.709 57.754 56.048 -0.005 0.000 1.332 435 H CB -0.796 28.970 29.762 0.008 0.000 1.386 435 H HN 0.323 nan 8.280 nan 0.000 0.516 436 G N 0.686 109.405 108.800 -0.134 0.000 2.440 436 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 436 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 436 G C 1.592 176.364 174.900 -0.213 0.000 1.154 436 G CA 0.883 45.868 45.100 -0.193 0.000 0.767 436 G HN 0.280 nan 8.290 nan 0.000 0.552 437 K N 0.298 120.537 120.400 -0.267 0.000 2.155 437 K HA 0.159 4.479 4.320 -0.000 0.000 0.203 437 K C 2.403 178.982 176.600 -0.034 0.000 1.052 437 K CA 0.281 56.455 56.287 -0.189 0.000 0.948 437 K CB -0.435 31.883 32.500 -0.303 0.000 0.728 437 K HN 0.417 nan 8.250 nan 0.000 0.448 438 I N 0.594 121.155 120.570 -0.016 0.000 2.163 438 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 438 I C 2.188 178.372 176.117 0.112 0.000 1.085 438 I CA 1.032 62.426 61.300 0.157 0.000 1.347 438 I CB -0.357 37.745 38.000 0.170 0.000 1.044 438 I HN -0.167 nan 8.210 nan 0.000 0.408 439 V N 0.850 120.706 119.914 -0.097 0.000 2.343 439 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 439 V C 2.408 178.511 176.094 0.015 0.000 1.051 439 V CA 1.874 64.123 62.300 -0.085 0.000 1.036 439 V CB -0.684 31.013 31.823 -0.209 0.000 0.654 439 V HN 0.389 nan 8.190 nan 0.000 0.451 440 K N -0.143 120.276 120.400 0.032 0.000 2.097 440 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 440 K C 2.428 179.200 176.600 0.288 0.000 1.050 440 K CA 1.580 57.959 56.287 0.153 0.000 0.938 440 K CB -0.281 32.299 32.500 0.134 0.000 0.718 440 K HN 0.374 nan 8.250 nan 0.000 0.442 441 S N 1.272 117.093 115.700 0.200 0.000 2.368 441 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 441 S C 1.709 176.312 174.600 0.004 0.000 1.030 441 S CA 1.277 59.592 58.200 0.192 0.000 0.999 441 S CB -0.136 63.231 63.200 0.278 0.000 0.844 441 S HN 0.337 nan 8.310 nan 0.000 0.459 442 E N -0.232 119.893 120.200 -0.124 0.000 2.106 442 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 442 E C 1.844 178.343 176.600 -0.168 0.000 0.984 442 E CA 1.062 57.272 56.400 -0.317 0.000 0.806 442 E CB -0.249 29.328 29.700 -0.206 0.000 0.750 442 E HN 0.645 nan 8.360 nan 0.000 0.458 443 Y N 0.094 120.300 120.300 -0.157 0.000 2.128 443 Y HA -0.280 4.270 4.550 -0.000 0.000 0.284 443 Y C 1.702 177.414 175.900 -0.312 0.000 1.154 443 Y CA 1.793 59.745 58.100 -0.247 0.000 1.149 443 Y CB -0.470 37.808 38.460 -0.304 0.000 0.976 443 Y HN 0.058 nan 8.280 nan 0.000 0.505 444 W N 0.029 121.260 121.300 -0.116 0.000 2.388 444 W HA -0.116 4.544 4.660 -0.000 0.000 0.294 444 W C 2.348 178.733 176.519 -0.224 0.000 1.212 444 W CA 1.156 58.402 57.345 -0.166 0.000 1.271 444 W CB -0.505 28.958 29.460 0.004 0.000 1.126 444 W HN 0.064 nan 8.180 nan 0.000 0.535 445 L N -0.099 121.104 121.223 -0.034 0.000 2.012 445 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 445 L C 2.640 179.362 176.870 -0.246 0.000 1.073 445 L CA 1.539 56.277 54.840 -0.170 0.000 0.748 445 L CB -1.033 40.847 42.059 -0.299 0.000 0.891 445 L HN 0.012 nan 8.230 nan 0.000 0.431 446 A N -0.427 122.220 122.820 -0.288 0.000 1.933 446 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 446 A C 2.353 179.766 177.584 -0.285 0.000 1.175 446 A CA 1.899 53.774 52.037 -0.270 0.000 0.628 446 A CB -0.425 18.415 19.000 -0.268 0.000 0.814 446 A HN 0.332 nan 8.150 nan 0.000 0.444 447 K N -0.818 119.334 120.400 -0.413 0.000 2.026 447 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 447 K C 2.169 178.670 176.600 -0.165 0.000 1.048 447 K CA 1.718 57.778 56.287 -0.379 0.000 0.929 447 K CB -0.265 31.872 32.500 -0.604 0.000 0.713 447 K HN 0.532 nan 8.250 nan 0.000 0.439 448 M N 0.793 120.334 119.600 -0.097 0.000 2.065 448 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 448 M C 1.974 178.294 176.300 0.034 0.000 1.069 448 M CA 1.739 57.027 55.300 -0.020 0.000 1.110 448 M CB -0.213 32.376 32.600 -0.018 0.000 1.328 448 M HN 0.208 nan 8.290 nan 0.000 0.405 449 I N 0.701 121.215 120.570 -0.094 0.000 2.194 449 I HA -0.353 3.817 4.170 -0.000 0.000 0.246 449 I C 1.689 177.837 176.117 0.052 0.000 1.093 449 I CA 1.490 62.737 61.300 -0.089 0.000 1.355 449 I CB -0.667 37.206 38.000 -0.212 0.000 1.046 449 I HN 0.326 nan 8.210 nan 0.000 0.413 450 D N 0.473 120.866 120.400 -0.012 0.000 2.264 450 D HA -0.085 4.555 4.640 -0.000 0.000 0.208 450 D C 2.220 178.532 176.300 0.020 0.000 0.966 450 D CA 0.982 54.979 54.000 -0.005 0.000 0.864 450 D CB -0.070 40.692 40.800 -0.062 0.000 0.933 450 D HN 0.340 nan 8.370 nan 0.000 0.499 451 L N -0.692 120.544 121.223 0.022 0.000 2.313 451 L HA -0.040 4.300 4.340 -0.000 0.000 0.214 451 L C 1.989 178.844 176.870 -0.025 0.000 1.119 451 L CA 0.167 54.993 54.840 -0.025 0.000 0.809 451 L CB -0.174 41.836 42.059 -0.081 0.000 0.933 451 L HN -0.064 nan 8.230 nan 0.000 0.449 452 F N 0.794 120.713 119.950 -0.051 0.000 2.075 452 F HA -0.131 4.396 4.527 -0.000 0.000 0.297 452 F C -0.136 175.655 175.800 -0.015 0.000 1.113 452 F CA 1.815 59.796 58.000 -0.031 0.000 1.218 452 F CB -1.675 37.309 39.000 -0.026 0.000 0.984 452 F HN 0.097 nan 8.300 nan 0.000 0.472 453 P HA -0.122 nan 4.420 nan 0.000 0.217 453 P C 1.915 179.239 177.300 0.040 0.000 1.150 453 P CA 1.328 64.483 63.100 0.091 0.000 0.832 453 P CB -0.039 31.703 31.700 0.070 0.000 0.787 454 V N 0.497 120.422 119.914 0.018 0.000 2.255 454 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 454 V C 2.517 178.595 176.094 -0.027 0.000 1.051 454 V CA 2.390 64.684 62.300 -0.009 0.000 1.018 454 V CB -1.834 29.976 31.823 -0.022 0.000 0.641 454 V HN 0.108 nan 8.190 nan 0.000 0.445 455 A N -0.008 122.778 122.820 -0.057 0.000 1.877 455 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 455 A C 2.473 180.027 177.584 -0.050 0.000 1.186 455 A CA 2.375 54.359 52.037 -0.089 0.000 0.620 455 A CB -0.596 18.288 19.000 -0.194 0.000 0.822 455 A HN 0.431 nan 8.150 nan 0.000 0.443 456 K N -0.550 119.840 120.400 -0.016 0.000 2.032 456 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 456 K C 2.232 178.837 176.600 0.007 0.000 1.048 456 K CA 1.833 58.129 56.287 0.014 0.000 0.927 456 K CB -0.584 31.950 32.500 0.058 0.000 0.712 456 K HN 0.681 nan 8.250 nan 0.000 0.441 457 R N -0.138 120.367 120.500 0.008 0.000 2.189 457 R HA 0.114 4.454 4.340 -0.000 0.000 0.218 457 R C 2.280 178.578 176.300 -0.004 0.000 1.074 457 R CA 0.988 57.091 56.100 0.005 0.000 0.991 457 R CB -0.216 30.089 30.300 0.007 0.000 0.883 457 R HN 0.352 nan 8.270 nan 0.000 0.457 458 A N 0.003 122.816 122.820 -0.012 0.000 2.238 458 A HA 0.216 4.536 4.320 -0.000 0.000 0.208 458 A C 1.358 178.932 177.584 -0.017 0.000 1.177 458 A CA 0.700 52.727 52.037 -0.016 0.000 0.804 458 A CB -0.084 18.901 19.000 -0.025 0.000 0.823 458 A HN 0.401 nan 8.150 nan 0.000 0.482 459 G N -1.067 107.724 108.800 -0.014 0.000 2.137 459 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.237 459 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.237 459 G C 0.198 175.086 174.900 -0.020 0.000 1.002 459 G CA 0.061 45.154 45.100 -0.013 0.000 0.702 459 G HN 0.750 nan 8.290 nan 0.000 0.515 460 V N 1.628 121.523 119.914 -0.031 0.000 2.788 460 V HA 0.359 4.479 4.120 -0.000 0.000 0.307 460 V C 1.556 177.630 176.094 -0.033 0.000 1.069 460 V CA 0.575 62.849 62.300 -0.044 0.000 1.173 460 V CB 1.148 32.925 31.823 -0.076 0.000 0.925 460 V HN 1.148 nan 8.190 nan 0.000 0.492 461 S N 4.005 119.687 115.700 -0.030 0.000 2.585 461 S HA 0.160 4.630 4.470 -0.000 0.000 0.273 461 S C 0.932 175.524 174.600 -0.014 0.000 1.339 461 S CA -0.498 57.691 58.200 -0.018 0.000 1.028 461 S CB 0.991 64.181 63.200 -0.016 0.000 0.906 461 S HN 0.697 nan 8.310 nan 0.000 0.528 462 E N 1.335 121.534 120.200 -0.001 0.000 2.160 462 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 462 E C 1.276 177.881 176.600 0.007 0.000 0.991 462 E CA 1.280 57.685 56.400 0.010 0.000 0.810 462 E CB -0.414 29.293 29.700 0.012 0.000 0.742 462 E HN 0.730 nan 8.360 nan 0.000 0.466 463 D N 0.041 120.441 120.400 -0.001 0.000 2.104 463 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 463 D C 2.083 178.379 176.300 -0.006 0.000 0.994 463 D CA 0.781 54.779 54.000 -0.002 0.000 0.830 463 D CB -0.166 40.630 40.800 -0.005 0.000 0.959 463 D HN 0.019 nan 8.370 nan 0.000 0.452 464 V N 0.783 120.685 119.914 -0.020 0.000 2.358 464 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 464 V C 2.590 178.654 176.094 -0.049 0.000 1.047 464 V CA 1.000 63.276 62.300 -0.040 0.000 1.035 464 V CB -0.400 31.387 31.823 -0.060 0.000 0.658 464 V HN 0.208 nan 8.190 nan 0.000 0.452 465 L N 0.049 121.249 121.223 -0.039 0.000 2.046 465 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 465 L C 2.221 179.161 176.870 0.117 0.000 1.077 465 L CA 2.075 56.915 54.840 -0.000 0.000 0.747 465 L CB -0.836 41.259 42.059 0.059 0.000 0.896 465 L HN 0.432 nan 8.230 nan 0.000 0.432 466 N N -0.696 118.046 118.700 0.070 0.000 2.188 466 N HA -0.228 4.512 4.740 -0.000 0.000 0.184 466 N C 1.893 177.438 175.510 0.058 0.000 1.018 466 N CA 0.712 53.799 53.050 0.062 0.000 0.858 466 N CB -0.049 38.452 38.487 0.024 0.000 0.989 466 N HN 0.344 nan 8.380 nan 0.000 0.426 467 Q N 0.714 120.537 119.800 0.039 0.000 2.061 467 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 467 Q C 2.046 178.087 176.000 0.069 0.000 0.984 467 Q CA 1.649 57.473 55.803 0.036 0.000 0.846 467 Q CB -0.087 28.658 28.738 0.011 0.000 0.902 467 Q HN 0.432 nan 8.270 nan 0.000 0.421 468 A N 0.708 123.575 122.820 0.079 0.000 1.930 468 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 468 A C 1.995 179.773 177.584 0.324 0.000 1.175 468 A CA 1.336 53.462 52.037 0.148 0.000 0.627 468 A CB -0.413 18.573 19.000 -0.024 0.000 0.815 468 A HN 0.344 nan 8.150 nan 0.000 0.443 469 R N -0.380 120.317 120.500 0.328 0.000 2.096 469 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 469 R C 1.953 178.334 176.300 0.134 0.000 1.127 469 R CA 1.321 57.550 56.100 0.215 0.000 0.968 469 R CB -0.199 30.163 30.300 0.102 0.000 0.861 469 R HN 0.500 nan 8.270 nan 0.000 0.440 470 E N 0.774 121.036 120.200 0.103 0.000 2.106 470 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 470 E C 2.109 178.800 176.600 0.152 0.000 0.984 470 E CA 0.917 57.364 56.400 0.079 0.000 0.806 470 E CB -0.066 29.656 29.700 0.037 0.000 0.750 470 E HN 0.365 nan 8.360 nan 0.000 0.458 471 L N -0.070 121.252 121.223 0.165 0.000 2.093 471 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 471 L C 2.624 179.648 176.870 0.256 0.000 1.085 471 L CA 1.120 56.073 54.840 0.188 0.000 0.755 471 L CB -0.529 41.615 42.059 0.142 0.000 0.904 471 L HN 0.259 nan 8.230 nan 0.000 0.435 472 H N -1.187 117.957 119.070 0.123 0.000 2.319 472 H HA -0.299 4.257 4.556 -0.000 0.000 0.299 472 H C 2.336 177.722 175.328 0.096 0.000 1.092 472 H CA 1.883 57.971 56.048 0.067 0.000 1.302 472 H CB 0.034 29.758 29.762 -0.063 0.000 1.373 472 H HN 0.274 nan 8.280 nan 0.000 0.497 473 Y N 1.790 122.118 120.300 0.047 0.000 2.081 473 Y HA -0.299 4.251 4.550 -0.000 0.000 0.280 473 Y C 2.049 178.002 175.900 0.087 0.000 1.163 473 Y CA 2.197 60.276 58.100 -0.036 0.000 1.135 473 Y CB -0.397 38.017 38.460 -0.076 0.000 0.970 473 Y HN 0.339 nan 8.280 nan 0.000 0.498 474 D N -0.230 120.410 120.400 0.401 0.000 2.117 474 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 474 D C 2.318 178.835 176.300 0.362 0.000 0.982 474 D CA 1.436 55.660 54.000 0.372 0.000 0.828 474 D CB -0.728 40.340 40.800 0.448 0.000 0.967 474 D HN 0.461 nan 8.370 nan 0.000 0.464 475 A N 0.341 123.372 122.820 0.351 0.000 1.908 475 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 475 A C 2.048 179.856 177.584 0.374 0.000 1.181 475 A CA 2.073 54.317 52.037 0.344 0.000 0.627 475 A CB -0.944 18.209 19.000 0.256 0.000 0.818 475 A HN 0.381 nan 8.150 nan 0.000 0.445 476 H N -0.839 118.390 119.070 0.266 0.000 2.293 476 H HA -0.092 4.464 4.556 -0.000 0.000 0.300 476 H C 1.871 177.302 175.328 0.171 0.000 1.082 476 H CA 1.801 58.030 56.048 0.301 0.000 1.308 476 H CB -0.236 29.576 29.762 0.084 0.000 1.375 476 H HN 0.308 nan 8.280 nan 0.000 0.495 477 L N -0.027 121.210 121.223 0.024 0.000 2.013 477 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 477 L C 1.534 178.268 176.870 -0.228 0.000 1.073 477 L CA 1.787 56.479 54.840 -0.247 0.000 0.753 477 L CB -1.011 40.744 42.059 -0.506 0.000 0.890 477 L HN 0.369 nan 8.230 nan 0.000 0.432 478 Y N -2.494 117.896 120.300 0.150 0.000 2.561 478 Y HA -0.106 4.444 4.550 -0.000 0.000 0.291 478 Y C 1.902 178.019 175.900 0.361 0.000 1.141 478 Y CA 0.860 59.081 58.100 0.201 0.000 1.303 478 Y CB -0.717 37.873 38.460 0.216 0.000 1.015 478 Y HN 0.513 nan 8.280 nan 0.000 0.547 479 W N 0.785 122.223 121.300 0.231 0.000 2.601 479 W HA 0.073 4.733 4.660 -0.000 0.000 0.292 479 W C 2.046 178.642 176.519 0.127 0.000 1.153 479 W CA 0.943 58.415 57.345 0.212 0.000 1.448 479 W CB -0.515 29.006 29.460 0.102 0.000 1.113 479 W HN -0.092 nan 8.180 nan 0.000 0.548 480 E N 0.032 119.794 120.200 -0.731 0.000 2.204 480 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 480 E C 1.966 178.103 176.600 -0.771 0.000 0.989 480 E CA 1.208 56.820 56.400 -1.313 0.000 0.824 480 E CB -0.814 28.208 29.700 -1.131 0.000 0.756 480 E HN 0.445 nan 8.360 nan 0.000 0.477 481 W N 0.169 120.993 121.300 -0.794 0.000 2.308 481 W HA -0.248 4.412 4.660 0.000 0.000 0.301 481 W C 0.878 176.778 176.519 -1.031 0.000 1.220 481 W CA 1.390 58.144 57.345 -0.986 0.000 1.240 481 W CB -0.511 28.217 29.460 -1.220 0.000 1.142 481 W HN 0.244 nan 8.180 nan 0.000 0.521 482 W N -0.139 121.095 121.300 -0.109 0.000 2.640 482 W HA -0.075 4.585 4.660 -0.000 0.000 0.268 482 W C 2.769 179.192 176.519 -0.160 0.000 1.263 482 W CA 1.852 59.157 57.345 -0.066 0.000 1.344 482 W CB -0.892 28.584 29.460 0.026 0.000 1.093 482 W HN -0.216 nan 8.180 nan 0.000 0.603 483 T N -2.344 112.074 114.554 -0.226 0.000 2.942 483 T HA 0.110 4.460 4.350 -0.000 0.000 0.265 483 T C 1.919 176.487 174.700 -0.220 0.000 1.062 483 T CA 1.074 63.053 62.100 -0.202 0.000 1.139 483 T CB -0.557 68.136 68.868 -0.292 0.000 0.883 483 T HN 0.037 nan 8.240 nan 0.000 0.468 484 A N 1.352 123.963 122.820 -0.349 0.000 1.898 484 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 484 A C 1.486 178.927 177.584 -0.238 0.000 1.181 484 A CA 0.594 52.443 52.037 -0.313 0.000 0.620 484 A CB -0.336 18.343 19.000 -0.536 0.000 0.819 484 A HN 0.490 nan 8.150 nan 0.000 0.442 485 E N 0.449 120.472 120.200 -0.296 0.000 2.354 485 E HA 0.087 4.437 4.350 -0.000 0.000 0.269 485 E C -0.229 176.372 176.600 0.001 0.000 1.036 485 E CA -0.259 56.042 56.400 -0.165 0.000 0.876 485 E CB 0.372 29.945 29.700 -0.212 0.000 1.009 485 E HN 0.399 nan 8.360 nan 0.000 0.416 486 N N 1.127 119.854 118.700 0.046 0.000 2.353 486 N HA -0.066 4.674 4.740 -0.000 0.000 0.185 486 N C 1.156 176.658 175.510 -0.012 0.000 1.098 486 N CA 0.360 53.426 53.050 0.026 0.000 0.872 486 N CB 0.364 38.875 38.487 0.040 0.000 0.970 486 N HN 0.358 nan 8.380 nan 0.000 0.467 487 S N -0.227 115.444 115.700 -0.049 0.000 2.575 487 S HA 0.040 4.510 4.470 -0.000 0.000 0.215 487 S C 0.921 175.542 174.600 0.034 0.000 0.966 487 S CA -0.196 57.905 58.200 -0.166 0.000 0.911 487 S CB -0.099 62.694 63.200 -0.678 0.000 0.780 487 S HN -0.019 nan 8.310 nan 0.000 0.514 488 V N 1.149 121.130 119.914 0.111 0.000 5.616 488 V HA -0.187 3.933 4.120 -0.000 0.000 0.301 488 V C 1.594 177.801 176.094 0.188 0.000 0.564 488 V CA 0.687 63.083 62.300 0.161 0.000 0.653 488 V CB -2.857 29.029 31.823 0.104 0.000 0.372 488 V HN 1.190 nan 8.190 nan 0.000 1.029 489 G N -0.510 108.440 108.800 0.250 0.000 2.241 489 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.244 489 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.244 489 G C 0.416 175.441 174.900 0.208 0.000 0.998 489 G CA 0.595 45.804 45.100 0.182 0.000 0.621 489 G HN 1.217 nan 8.290 nan 0.000 0.519 490 F N 1.453 121.454 119.950 0.085 0.000 2.161 490 F HA -0.010 4.517 4.527 -0.000 0.000 0.300 490 F C 2.399 178.348 175.800 0.247 0.000 1.089 490 F CA 2.567 60.632 58.000 0.109 0.000 1.282 490 F CB -0.188 38.829 39.000 0.029 0.000 1.010 490 F HN 0.464 nan 8.300 nan 0.000 0.485 491 H N -1.759 117.536 119.070 0.376 0.000 2.491 491 H HA -0.047 4.509 4.556 -0.000 0.000 0.290 491 H C 0.259 175.774 175.328 0.312 0.000 1.050 491 H CA 0.846 57.136 56.048 0.403 0.000 1.309 491 H CB 0.064 30.085 29.762 0.432 0.000 1.392 491 H HN 0.045 nan 8.280 nan 0.000 0.554 492 N N -1.066 117.837 118.700 0.338 0.000 2.946 492 N HA 0.017 4.757 4.740 -0.000 0.000 0.213 492 N C -2.382 173.189 175.510 0.103 0.000 1.440 492 N CA -1.119 52.065 53.050 0.222 0.000 0.745 492 N CB 0.719 39.397 38.487 0.318 0.000 1.471 492 N HN -0.041 nan 8.380 nan 0.000 0.569 493 P HA -0.048 nan 4.420 nan 0.000 0.217 493 P C 0.579 177.867 177.300 -0.020 0.000 1.150 493 P CA 1.074 64.173 63.100 -0.003 0.000 0.832 493 P CB 0.639 32.342 31.700 0.004 0.000 0.787 494 D N -0.320 120.080 120.400 0.000 0.000 2.144 494 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 494 D C 2.177 178.491 176.300 0.024 0.000 0.978 494 D CA 0.948 54.955 54.000 0.011 0.000 0.833 494 D CB -0.463 40.345 40.800 0.013 0.000 0.961 494 D HN 0.312 nan 8.370 nan 0.000 0.470 495 Q N 0.382 120.212 119.800 0.049 0.000 2.083 495 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 495 Q C 2.086 178.000 176.000 -0.143 0.000 0.969 495 Q CA 1.248 57.126 55.803 0.126 0.000 0.838 495 Q CB 0.010 28.899 28.738 0.252 0.000 0.900 495 Q HN 0.164 nan 8.270 nan 0.000 0.436 496 A N 1.387 123.841 122.820 -0.609 0.000 1.883 496 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 496 A C 2.116 179.291 177.584 -0.681 0.000 1.186 496 A CA 1.718 52.876 52.037 -1.465 0.000 0.624 496 A CB -0.718 17.548 19.000 -1.223 0.000 0.822 496 A HN 0.422 nan 8.150 nan 0.000 0.444 497 R N -0.437 119.901 120.500 -0.270 0.000 2.073 497 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 497 R C 2.270 178.554 176.300 -0.028 0.000 1.134 497 R CA 1.880 57.944 56.100 -0.061 0.000 0.952 497 R CB -0.331 30.038 30.300 0.116 0.000 0.850 497 R HN 0.726 nan 8.270 nan 0.000 0.433 498 E N -0.392 119.824 120.200 0.027 0.000 2.077 498 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 498 E C 1.866 178.569 176.600 0.173 0.000 0.989 498 E CA 1.465 57.927 56.400 0.104 0.000 0.800 498 E CB -0.087 29.711 29.700 0.163 0.000 0.746 498 E HN 0.270 nan 8.360 nan 0.000 0.452 499 S N -0.050 115.774 115.700 0.206 0.000 2.356 499 S HA -0.113 4.357 4.470 -0.000 0.000 0.223 499 S C 2.010 176.715 174.600 0.175 0.000 1.032 499 S CA 1.022 59.352 58.200 0.218 0.000 1.005 499 S CB -0.236 63.170 63.200 0.343 0.000 0.867 499 S HN 0.301 nan 8.310 nan 0.000 0.449 500 L N 0.783 122.023 121.223 0.028 0.000 2.093 500 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 500 L C 2.745 179.658 176.870 0.071 0.000 1.085 500 L CA 1.194 56.081 54.840 0.079 0.000 0.755 500 L CB -0.444 41.586 42.059 -0.048 0.000 0.904 500 L HN 0.383 nan 8.230 nan 0.000 0.435 501 M N -1.000 118.613 119.600 0.021 0.000 2.159 501 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 501 M C 2.261 178.561 176.300 0.001 0.000 1.063 501 M CA 1.765 57.067 55.300 0.004 0.000 1.110 501 M CB -0.653 31.945 32.600 -0.003 0.000 1.374 501 M HN 0.252 nan 8.290 nan 0.000 0.411 502 T N -0.221 114.338 114.554 0.007 0.000 2.746 502 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 502 T C 1.950 176.692 174.700 0.071 0.000 1.039 502 T CA 1.798 63.878 62.100 -0.033 0.000 1.142 502 T CB -0.288 68.451 68.868 -0.215 0.000 0.866 502 T HN 0.408 nan 8.240 nan 0.000 0.444 503 S N 0.849 116.665 115.700 0.192 0.000 2.353 503 S HA -0.099 4.371 4.470 -0.000 0.000 0.222 503 S C 2.054 176.747 174.600 0.154 0.000 1.035 503 S CA 1.165 59.533 58.200 0.280 0.000 1.025 503 S CB -0.557 62.868 63.200 0.375 0.000 0.902 503 S HN 0.470 nan 8.310 nan 0.000 0.440 504 I N 1.071 121.690 120.570 0.082 0.000 2.226 504 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 504 I C 2.637 178.654 176.117 -0.167 0.000 1.100 504 I CA 1.236 62.508 61.300 -0.047 0.000 1.374 504 I CB -0.455 37.491 38.000 -0.089 0.000 1.057 504 I HN 0.288 nan 8.210 nan 0.000 0.413 505 S N 0.554 116.192 115.700 -0.103 0.000 2.370 505 S HA -0.161 4.309 4.470 -0.000 0.000 0.226 505 S C 2.003 176.564 174.600 -0.065 0.000 1.033 505 S CA 1.159 59.291 58.200 -0.113 0.000 1.011 505 S CB -0.143 63.014 63.200 -0.071 0.000 0.852 505 S HN 0.319 nan 8.310 nan 0.000 0.457 506 K N 1.437 121.848 120.400 0.019 0.000 2.026 506 K HA 0.067 4.387 4.320 -0.000 0.000 0.208 506 K C 2.435 179.068 176.600 0.054 0.000 1.048 506 K CA 1.072 57.402 56.287 0.072 0.000 0.929 506 K CB -0.827 31.776 32.500 0.172 0.000 0.713 506 K HN 0.241 nan 8.250 nan 0.000 0.439 507 S N 1.412 117.145 115.700 0.055 0.000 2.368 507 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 507 S C 1.899 176.520 174.600 0.035 0.000 1.030 507 S CA 1.304 59.548 58.200 0.074 0.000 0.999 507 S CB -0.083 63.208 63.200 0.152 0.000 0.844 507 S HN 0.310 nan 8.310 nan 0.000 0.459 508 K N 0.897 121.209 120.400 -0.147 0.000 2.057 508 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 508 K C 2.298 178.837 176.600 -0.103 0.000 1.049 508 K CA 1.325 57.446 56.287 -0.276 0.000 0.931 508 K CB -0.146 32.021 32.500 -0.555 0.000 0.714 508 K HN 0.439 nan 8.250 nan 0.000 0.440 509 E N 0.569 120.727 120.200 -0.070 0.000 2.077 509 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 509 E C 1.898 178.494 176.600 -0.005 0.000 0.989 509 E CA 1.110 57.492 56.400 -0.031 0.000 0.800 509 E CB -0.023 29.669 29.700 -0.013 0.000 0.746 509 E HN 0.324 nan 8.360 nan 0.000 0.452 510 A N 0.375 123.205 122.820 0.016 0.000 1.930 510 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 510 A C 2.375 179.958 177.584 -0.003 0.000 1.175 510 A CA 1.150 53.198 52.037 0.018 0.000 0.627 510 A CB -0.510 18.526 19.000 0.060 0.000 0.815 510 A HN 0.225 nan 8.150 nan 0.000 0.443 511 V N -0.569 119.368 119.914 0.037 0.000 2.295 511 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 511 V C 2.832 178.941 176.094 0.025 0.000 1.049 511 V CA 2.354 64.688 62.300 0.057 0.000 1.024 511 V CB -0.685 31.256 31.823 0.197 0.000 0.648 511 V HN 0.652 nan 8.190 nan 0.000 0.447 512 S N -0.416 115.298 115.700 0.023 0.000 2.359 512 S HA -0.211 4.259 4.470 -0.000 0.000 0.224 512 S C 1.963 176.552 174.600 -0.018 0.000 1.035 512 S CA 2.088 60.291 58.200 0.006 0.000 1.018 512 S CB -0.392 62.805 63.200 -0.005 0.000 0.876 512 S HN 0.424 nan 8.310 nan 0.000 0.448 513 L N 1.430 122.636 121.223 -0.029 0.000 2.012 513 L HA -0.017 4.323 4.340 -0.000 0.000 0.210 513 L C 2.166 178.992 176.870 -0.074 0.000 1.073 513 L CA 1.838 56.651 54.840 -0.046 0.000 0.748 513 L CB -0.579 41.453 42.059 -0.045 0.000 0.891 513 L HN 0.392 nan 8.230 nan 0.000 0.431 514 L N -0.699 120.461 121.223 -0.105 0.000 2.072 514 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 514 L C 2.391 179.200 176.870 -0.102 0.000 1.079 514 L CA 0.975 55.722 54.840 -0.154 0.000 0.752 514 L CB -0.779 41.133 42.059 -0.245 0.000 0.906 514 L HN 0.346 nan 8.230 nan 0.000 0.436 515 N N 0.221 118.883 118.700 -0.064 0.000 2.104 515 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 515 N C 1.445 176.934 175.510 -0.035 0.000 1.024 515 N CA 1.540 54.567 53.050 -0.039 0.000 0.853 515 N CB -0.291 38.190 38.487 -0.011 0.000 1.008 515 N HN 0.286 nan 8.380 nan 0.000 0.424 516 D N 0.489 120.870 120.400 -0.033 0.000 2.117 516 D HA -0.028 4.612 4.640 -0.000 0.000 0.198 516 D C 1.806 178.085 176.300 -0.035 0.000 0.982 516 D CA 1.081 55.064 54.000 -0.028 0.000 0.828 516 D CB -0.332 40.454 40.800 -0.024 0.000 0.967 516 D HN 0.242 nan 8.370 nan 0.000 0.464 517 A N 0.387 123.177 122.820 -0.050 0.000 1.930 517 A HA -0.104 4.215 4.320 -0.000 0.000 0.217 517 A C 2.320 179.874 177.584 -0.051 0.000 1.175 517 A CA 0.814 52.819 52.037 -0.054 0.000 0.627 517 A CB -0.633 18.323 19.000 -0.074 0.000 0.815 517 A HN 0.186 nan 8.150 nan 0.000 0.443 518 I N -0.003 120.533 120.570 -0.057 0.000 2.142 518 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 518 I C 1.889 177.987 176.117 -0.033 0.000 1.078 518 I CA 1.520 62.792 61.300 -0.047 0.000 1.343 518 I CB -0.526 37.443 38.000 -0.051 0.000 1.046 518 I HN 0.208 nan 8.210 nan 0.000 0.405 519 D N 1.180 121.563 120.400 -0.028 0.000 2.149 519 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 519 D C 2.231 178.520 176.300 -0.019 0.000 0.990 519 D CA 1.669 55.657 54.000 -0.020 0.000 0.839 519 D CB -0.255 40.535 40.800 -0.016 0.000 0.948 519 D HN 0.389 nan 8.370 nan 0.000 0.460 520 A N 0.713 123.521 122.820 -0.021 0.000 1.930 520 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 520 A C 2.122 179.695 177.584 -0.018 0.000 1.175 520 A CA 1.160 53.185 52.037 -0.019 0.000 0.627 520 A CB -0.325 18.663 19.000 -0.020 0.000 0.815 520 A HN 0.066 nan 8.150 nan 0.000 0.443 521 Q N -0.274 119.514 119.800 -0.021 0.000 2.079 521 Q HA -0.095 4.245 4.340 -0.000 0.000 0.200 521 Q C 2.341 178.332 176.000 -0.015 0.000 0.974 521 Q CA 1.534 57.325 55.803 -0.019 0.000 0.840 521 Q CB -0.731 27.993 28.738 -0.023 0.000 0.898 521 Q HN 0.478 nan 8.270 nan 0.000 0.430 522 V N 0.316 120.220 119.914 -0.016 0.000 2.343 522 V HA -0.120 4.000 4.120 -0.000 0.000 0.247 522 V C 1.090 177.177 176.094 -0.010 0.000 1.051 522 V CA 1.476 63.768 62.300 -0.013 0.000 1.036 522 V CB -0.397 31.419 31.823 -0.013 0.000 0.654 522 V HN 0.423 nan 8.190 nan 0.000 0.451 523 A N 0.000 122.814 122.820 -0.011 0.000 2.254 523 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 523 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 523 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 523 A HN 0.000 nan 8.150 nan 0.000 0.486