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 3dhy_1_A DATA FIRST_RESID 10 DATA SEQUENCE SLTPDVRNGI DFKIADLSLA DFGRKELRIA EHEMPGLMSL RREYAEVQPL DATA SEQUENCE KGARISGSLH MTVQTAVLIE TLTALGAEVR WASCNIFSTQ DHAAAAVVVG DATA SEQUENCE PHGTPDEPKG VPVFAWKGET LEEYWWAAEQ MLTWPDPDKP ANMILDDGGD DATA SEQUENCE ATMLVLRGMQ YEKAGVVPPA EEDDPAEWKV FLNLLRTRFE TDKDKWTKIA DATA SEQUENCE ESVKGVTEET TTGVLRLYQF AAAGDLAFPA INVNDSVTKS KFDNKYGTRH DATA SEQUENCE SLIDGINRGT DALIGGKKVL ICGYGDVGKG CAEAMKGQGA RVSVTEIDPI DATA SEQUENCE NALQAMMEGF DVVTVEEAIG DADIVVTATG NKDIIMLEHI KAMKDHAILG DATA SEQUENCE NIGHFDNEID MAGLERSGAT RVNVKPQVDL WTFGDTGRSI IVLSEGRLLN DATA SEQUENCE LGNATGHPSF VMSNSFANQT IAQIELWTKN DEYDNEVYRL PKHLDEKVAR DATA SEQUENCE IHVEALGGHL TKLTKEQAEY LGVDVEGPYK PDHYRY 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.502 174.600 -0.164 0.000 1.055 10 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 10 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 11 L N 1.835 122.906 121.223 -0.253 0.000 2.643 11 L HA 0.768 5.104 4.340 -0.007 0.000 0.256 11 L C -1.180 175.547 176.870 -0.238 0.000 0.931 11 L CA 0.231 54.814 54.840 -0.429 0.000 0.895 11 L CB 1.786 43.332 42.059 -0.854 0.000 1.430 11 L HN 0.236 nan 8.230 nan 0.000 0.419 12 T N 1.614 116.135 114.554 -0.054 0.000 2.912 12 T HA 0.823 5.169 4.350 -0.007 0.000 0.299 12 T C -2.899 171.958 174.700 0.261 0.000 1.052 12 T CA -1.867 60.380 62.100 0.244 0.000 0.996 12 T CB 1.669 70.613 68.868 0.127 0.000 1.070 12 T HN 0.433 nan 8.240 nan 0.000 0.465 13 P HA 0.236 nan 4.420 nan 0.000 0.267 13 P C -0.427 176.853 177.300 -0.034 0.000 1.200 13 P CA -0.210 63.055 63.100 0.275 0.000 0.772 13 P CB 0.371 32.257 31.700 0.310 0.000 0.855 14 D N 0.619 120.840 120.400 -0.299 0.000 2.341 14 D HA 0.223 4.859 4.640 -0.007 0.000 0.245 14 D C -0.412 175.524 176.300 -0.607 0.000 1.106 14 D CA 0.260 53.931 54.000 -0.548 0.000 0.905 14 D CB 1.012 41.231 40.800 -0.968 0.000 1.202 14 D HN -0.016 nan 8.370 nan 0.000 0.426 15 V N 3.162 122.887 119.914 -0.315 0.000 2.577 15 V HA 0.467 4.583 4.120 -0.007 0.000 0.303 15 V C -0.057 176.050 176.094 0.022 0.000 1.042 15 V CA -0.703 61.527 62.300 -0.117 0.000 0.872 15 V CB 1.997 33.799 31.823 -0.036 0.000 0.998 15 V HN 0.424 nan 8.190 nan 0.000 0.423 16 R N 3.200 123.809 120.500 0.181 0.000 2.584 16 R HA 0.386 4.722 4.340 -0.007 0.000 0.276 16 R C -0.104 176.283 176.300 0.145 0.000 1.046 16 R CA -0.978 55.234 56.100 0.186 0.000 0.906 16 R CB 1.434 31.900 30.300 0.277 0.000 1.215 16 R HN 0.729 nan 8.270 nan 0.000 0.449 17 N N 1.048 119.799 118.700 0.085 0.000 2.701 17 N HA -0.241 4.495 4.740 -0.007 0.000 0.250 17 N C 0.589 176.133 175.510 0.056 0.000 1.046 17 N CA 1.838 54.922 53.050 0.057 0.000 0.733 17 N CB -0.838 37.674 38.487 0.042 0.000 0.973 17 N HN 1.075 nan 8.380 nan 0.000 0.541 18 G N -1.855 106.983 108.800 0.063 0.000 2.179 18 G HA2 -0.279 3.677 3.960 -0.007 0.000 0.260 18 G HA3 -0.279 3.677 3.960 -0.007 0.000 0.260 18 G C 0.138 175.080 174.900 0.069 0.000 0.977 18 G CA 0.335 45.468 45.100 0.057 0.000 0.641 18 G HN 0.561 nan 8.290 nan 0.000 0.533 19 I N 2.395 123.028 120.570 0.105 0.000 2.339 19 I HA 0.367 4.533 4.170 -0.007 0.000 0.290 19 I C -0.352 175.905 176.117 0.233 0.000 0.994 19 I CA -1.054 60.332 61.300 0.143 0.000 1.191 19 I CB 1.296 39.369 38.000 0.122 0.000 1.343 19 I HN 0.201 nan 8.210 nan 0.000 0.458 20 D N 7.225 127.713 120.400 0.147 0.000 2.210 20 D HA 0.608 5.244 4.640 -0.007 0.000 0.249 20 D C -0.591 175.734 176.300 0.042 0.000 1.062 20 D CA -0.181 53.869 54.000 0.084 0.000 0.891 20 D CB 1.848 42.719 40.800 0.118 0.000 1.186 20 D HN 0.443 nan 8.370 nan 0.000 0.432 21 F N -1.786 118.028 119.950 -0.226 0.000 2.926 21 F HA 0.707 5.229 4.527 -0.007 0.000 0.321 21 F C -1.642 174.015 175.800 -0.238 0.000 1.168 21 F CA -1.302 56.313 58.000 -0.643 0.000 0.890 21 F CB 1.478 40.243 39.000 -0.391 0.000 1.357 21 F HN 0.280 nan 8.300 nan 0.000 0.468 22 K N 2.207 122.636 120.400 0.048 0.000 2.670 22 K HA 0.617 4.933 4.320 -0.007 0.000 0.274 22 K C -1.662 175.218 176.600 0.466 0.000 1.068 22 K CA -0.255 56.226 56.287 0.323 0.000 0.967 22 K CB 1.107 33.978 32.500 0.618 0.000 1.297 22 K HN 0.900 nan 8.250 nan 0.000 0.477 23 I N -0.500 120.269 120.570 0.333 0.000 3.457 23 I HA 0.775 4.941 4.170 -0.007 0.000 0.307 23 I C 0.477 176.677 176.117 0.138 0.000 1.138 23 I CA -1.055 60.446 61.300 0.335 0.000 0.974 23 I CB 1.845 39.991 38.000 0.244 0.000 1.324 23 I HN 0.425 nan 8.210 nan 0.000 0.485 24 A N 0.474 123.403 122.820 0.181 0.000 1.840 24 A HA 0.015 4.330 4.320 -0.007 0.000 0.214 24 A C 0.538 178.157 177.584 0.059 0.000 1.198 24 A CA 1.883 53.972 52.037 0.086 0.000 0.608 24 A CB -0.368 18.736 19.000 0.174 0.000 0.839 24 A HN 0.859 nan 8.150 nan 0.000 0.443 25 D N -1.832 118.623 120.400 0.091 0.000 2.452 25 D HA 0.265 4.901 4.640 -0.007 0.000 0.226 25 D C 0.025 176.365 176.300 0.067 0.000 1.366 25 D CA -0.539 53.505 54.000 0.074 0.000 0.986 25 D CB 0.997 41.841 40.800 0.073 0.000 1.420 25 D HN -0.059 nan 8.370 nan 0.000 0.583 26 L N 3.159 124.414 121.223 0.053 0.000 2.265 26 L HA -0.063 4.272 4.340 -0.007 0.000 0.215 26 L C 2.074 178.952 176.870 0.013 0.000 1.117 26 L CA 1.853 56.695 54.840 0.004 0.000 0.782 26 L CB -0.641 41.415 42.059 -0.004 0.000 0.914 26 L HN 0.515 nan 8.230 nan 0.000 0.441 27 S N -1.996 113.727 115.700 0.038 0.000 2.660 27 S HA -0.014 4.451 4.470 -0.007 0.000 0.228 27 S C 1.413 176.056 174.600 0.073 0.000 0.966 27 S CA 0.231 58.458 58.200 0.044 0.000 0.940 27 S CB -0.573 62.651 63.200 0.040 0.000 0.773 27 S HN 0.471 nan 8.310 nan 0.000 0.535 28 L N 0.375 121.655 121.223 0.094 0.000 2.653 28 L HA 0.403 4.739 4.340 -0.007 0.000 0.231 28 L C 2.396 179.357 176.870 0.152 0.000 1.153 28 L CA 0.348 55.291 54.840 0.171 0.000 0.933 28 L CB -0.284 41.906 42.059 0.219 0.000 1.175 28 L HN 0.438 nan 8.230 nan 0.000 0.473 29 A N -0.044 122.818 122.820 0.070 0.000 1.929 29 A HA -0.156 4.160 4.320 -0.007 0.000 0.216 29 A C 1.787 179.392 177.584 0.036 0.000 1.176 29 A CA 1.413 53.459 52.037 0.015 0.000 0.628 29 A CB -0.177 18.804 19.000 -0.031 0.000 0.816 29 A HN 0.286 nan 8.150 nan 0.000 0.444 30 D N -0.888 119.558 120.400 0.075 0.000 2.144 30 D HA -0.122 4.514 4.640 -0.007 0.000 0.199 30 D C 1.527 177.927 176.300 0.167 0.000 0.984 30 D CA 1.126 55.179 54.000 0.089 0.000 0.834 30 D CB -0.374 40.476 40.800 0.082 0.000 0.955 30 D HN 0.436 nan 8.370 nan 0.000 0.465 31 F N 1.505 121.483 119.950 0.046 0.000 2.113 31 F HA 0.040 4.563 4.527 -0.007 0.000 0.297 31 F C 2.254 178.139 175.800 0.142 0.000 1.103 31 F CA 1.715 59.760 58.000 0.074 0.000 1.248 31 F CB -0.830 38.205 39.000 0.060 0.000 0.999 31 F HN -0.032 nan 8.300 nan 0.000 0.475 32 G N 0.005 108.760 108.800 -0.075 0.000 2.442 32 G HA2 -0.329 3.627 3.960 -0.007 0.000 0.219 32 G HA3 -0.329 3.627 3.960 -0.007 0.000 0.219 32 G C 1.775 176.575 174.900 -0.167 0.000 1.141 32 G CA 0.922 45.883 45.100 -0.232 0.000 0.763 32 G HN 0.322 nan 8.290 nan 0.000 0.554 33 R N 0.872 121.324 120.500 -0.081 0.000 2.092 33 R HA 0.076 4.412 4.340 -0.007 0.000 0.231 33 R C 2.426 178.708 176.300 -0.030 0.000 1.119 33 R CA 1.385 57.445 56.100 -0.067 0.000 0.970 33 R CB -0.431 29.836 30.300 -0.055 0.000 0.864 33 R HN 0.345 nan 8.270 nan 0.000 0.440 34 K N 0.363 120.774 120.400 0.018 0.000 1.991 34 K HA -0.167 4.149 4.320 -0.007 0.000 0.212 34 K C 1.957 178.577 176.600 0.033 0.000 1.049 34 K CA 1.976 58.297 56.287 0.056 0.000 0.932 34 K CB -0.216 32.369 32.500 0.140 0.000 0.717 34 K HN 0.307 nan 8.250 nan 0.000 0.441 35 E N 0.713 120.909 120.200 -0.008 0.000 2.118 35 E HA -0.206 4.140 4.350 -0.007 0.000 0.195 35 E C 2.121 178.705 176.600 -0.027 0.000 0.992 35 E CA 0.942 57.331 56.400 -0.018 0.000 0.804 35 E CB -0.132 29.523 29.700 -0.075 0.000 0.741 35 E HN 0.133 nan 8.360 nan 0.000 0.458 36 L N 0.860 122.043 121.223 -0.067 0.000 2.046 36 L HA -0.183 4.153 4.340 -0.007 0.000 0.208 36 L C 2.417 179.277 176.870 -0.016 0.000 1.077 36 L CA 1.642 56.443 54.840 -0.065 0.000 0.747 36 L CB -0.307 41.689 42.059 -0.105 0.000 0.896 36 L HN -0.009 nan 8.230 nan 0.000 0.432 37 R N -0.706 119.799 120.500 0.008 0.000 2.075 37 R HA -0.091 4.245 4.340 -0.007 0.000 0.232 37 R C 2.277 178.673 176.300 0.161 0.000 1.126 37 R CA 1.354 57.490 56.100 0.060 0.000 0.963 37 R CB -0.478 29.862 30.300 0.066 0.000 0.858 37 R HN 0.318 nan 8.270 nan 0.000 0.435 38 I N 0.857 121.501 120.570 0.124 0.000 2.163 38 I HA -0.282 3.884 4.170 -0.007 0.000 0.243 38 I C 2.641 178.842 176.117 0.141 0.000 1.085 38 I CA 1.390 62.770 61.300 0.134 0.000 1.347 38 I CB -0.563 37.484 38.000 0.077 0.000 1.044 38 I HN 0.206 nan 8.210 nan 0.000 0.408 39 A N 0.611 123.481 122.820 0.085 0.000 1.933 39 A HA -0.234 4.081 4.320 -0.007 0.000 0.218 39 A C 2.168 179.794 177.584 0.069 0.000 1.175 39 A CA 1.742 53.821 52.037 0.070 0.000 0.628 39 A CB -0.631 18.387 19.000 0.031 0.000 0.814 39 A HN 0.470 nan 8.150 nan 0.000 0.444 40 E N -0.928 119.295 120.200 0.039 0.000 2.097 40 E HA -0.263 4.083 4.350 -0.007 0.000 0.196 40 E C 1.765 178.333 176.600 -0.054 0.000 1.000 40 E CA 1.689 58.070 56.400 -0.033 0.000 0.804 40 E CB -0.351 29.286 29.700 -0.105 0.000 0.740 40 E HN 0.841 nan 8.360 nan 0.000 0.454 41 H N 0.011 119.104 119.070 0.038 0.000 2.518 41 H HA -0.010 4.542 4.556 -0.007 0.000 0.289 41 H C 1.445 176.830 175.328 0.095 0.000 1.051 41 H CA 0.871 56.950 56.048 0.053 0.000 1.280 41 H CB 0.276 30.064 29.762 0.043 0.000 1.380 41 H HN 0.063 nan 8.280 nan 0.000 0.566 42 E N -0.214 120.111 120.200 0.209 0.000 2.481 42 E HA 0.111 4.457 4.350 -0.007 0.000 0.198 42 E C -0.074 176.656 176.600 0.216 0.000 1.027 42 E CA 0.214 56.774 56.400 0.265 0.000 0.900 42 E CB 0.534 30.365 29.700 0.218 0.000 0.993 42 E HN 0.521 nan 8.360 nan 0.000 0.482 43 M N 1.552 121.206 119.600 0.090 0.000 3.003 43 M HA 0.192 4.668 4.480 -0.007 0.000 0.221 43 M C -1.993 174.291 176.300 -0.027 0.000 1.126 43 M CA -1.409 53.897 55.300 0.010 0.000 0.778 43 M CB 1.275 33.890 32.600 0.025 0.000 1.380 43 M HN -0.224 nan 8.290 nan 0.000 0.508 44 P HA -0.046 nan 4.420 nan 0.000 0.226 44 P C 1.396 178.571 177.300 -0.208 0.000 1.153 44 P CA 1.143 64.166 63.100 -0.127 0.000 0.777 44 P CB 0.131 31.756 31.700 -0.125 0.000 0.794 45 G N 0.869 109.523 108.800 -0.242 0.000 2.421 45 G HA2 -0.204 3.751 3.960 -0.007 0.000 0.216 45 G HA3 -0.204 3.751 3.960 -0.007 0.000 0.216 45 G C 1.614 176.496 174.900 -0.029 0.000 1.171 45 G CA 0.480 45.487 45.100 -0.155 0.000 0.775 45 G HN 0.241 nan 8.290 nan 0.000 0.543 46 L N -0.148 121.079 121.223 0.006 0.000 2.131 46 L HA 0.064 4.399 4.340 -0.007 0.000 0.206 46 L C 2.915 179.785 176.870 -0.000 0.000 1.087 46 L CA 0.380 55.235 54.840 0.026 0.000 0.767 46 L CB -0.202 41.883 42.059 0.043 0.000 0.917 46 L HN 0.136 nan 8.230 nan 0.000 0.441 47 M N -1.051 118.531 119.600 -0.028 0.000 2.319 47 M HA -0.101 4.375 4.480 -0.007 0.000 0.265 47 M C 2.522 178.803 176.300 -0.032 0.000 1.068 47 M CA 1.155 56.432 55.300 -0.039 0.000 1.118 47 M CB -1.165 31.394 32.600 -0.067 0.000 1.395 47 M HN 0.161 nan 8.290 nan 0.000 0.435 48 S N 0.601 116.278 115.700 -0.040 0.000 2.368 48 S HA -0.025 4.441 4.470 -0.007 0.000 0.224 48 S C 1.957 176.560 174.600 0.006 0.000 1.029 48 S CA 0.823 59.002 58.200 -0.035 0.000 0.988 48 S CB -0.036 63.125 63.200 -0.065 0.000 0.838 48 S HN 0.462 nan 8.310 nan 0.000 0.462 49 L N 0.921 122.175 121.223 0.050 0.000 2.093 49 L HA -0.005 4.331 4.340 -0.007 0.000 0.208 49 L C 2.889 179.854 176.870 0.158 0.000 1.085 49 L CA 1.064 55.996 54.840 0.153 0.000 0.755 49 L CB -0.514 41.649 42.059 0.174 0.000 0.904 49 L HN 0.251 nan 8.230 nan 0.000 0.435 50 R N 0.109 120.657 120.500 0.079 0.000 2.103 50 R HA -0.192 4.144 4.340 -0.007 0.000 0.242 50 R C 2.443 178.773 176.300 0.050 0.000 1.142 50 R CA 1.568 57.704 56.100 0.060 0.000 0.960 50 R CB -0.407 29.904 30.300 0.019 0.000 0.858 50 R HN 0.402 nan 8.270 nan 0.000 0.439 51 R N 0.324 120.834 120.500 0.017 0.000 2.075 51 R HA -0.119 4.216 4.340 -0.007 0.000 0.232 51 R C 2.291 178.569 176.300 -0.036 0.000 1.126 51 R CA 1.221 57.316 56.100 -0.009 0.000 0.963 51 R CB -0.228 30.057 30.300 -0.025 0.000 0.858 51 R HN 0.367 nan 8.270 nan 0.000 0.435 52 E N -0.096 120.058 120.200 -0.076 0.000 2.077 52 E HA -0.177 4.168 4.350 -0.007 0.000 0.193 52 E C 0.578 176.988 176.600 -0.316 0.000 0.989 52 E CA 1.183 57.437 56.400 -0.244 0.000 0.800 52 E CB 0.178 29.654 29.700 -0.374 0.000 0.746 52 E HN 0.345 nan 8.360 nan 0.000 0.452 53 Y N -1.256 119.052 120.300 0.014 0.000 2.531 53 Y HA 0.379 4.924 4.550 -0.007 0.000 0.249 53 Y C 1.447 177.358 175.900 0.019 0.000 1.168 53 Y CA 0.142 58.255 58.100 0.022 0.000 1.226 53 Y CB 0.466 38.944 38.460 0.029 0.000 1.177 53 Y HN 0.105 nan 8.280 nan 0.000 0.527 54 A N 0.188 123.080 122.820 0.120 0.000 1.877 54 A HA -0.203 4.113 4.320 -0.007 0.000 0.216 54 A C 2.125 179.750 177.584 0.067 0.000 1.186 54 A CA 1.907 53.992 52.037 0.079 0.000 0.620 54 A CB -0.364 18.662 19.000 0.044 0.000 0.822 54 A HN 0.449 nan 8.150 nan 0.000 0.443 55 E N -0.436 119.793 120.200 0.050 0.000 2.110 55 E HA -0.117 4.229 4.350 -0.007 0.000 0.193 55 E C 1.875 178.510 176.600 0.058 0.000 0.988 55 E CA 1.393 57.817 56.400 0.040 0.000 0.804 55 E CB -0.028 29.683 29.700 0.020 0.000 0.745 55 E HN 0.394 nan 8.360 nan 0.000 0.458 56 V N 0.270 120.238 119.914 0.090 0.000 2.535 56 V HA -0.121 3.995 4.120 -0.007 0.000 0.246 56 V C 0.373 176.538 176.094 0.118 0.000 1.045 56 V CA 0.584 62.953 62.300 0.114 0.000 1.058 56 V CB -0.143 31.784 31.823 0.174 0.000 0.689 56 V HN 0.323 nan 8.190 nan 0.000 0.461 57 Q N -1.334 118.543 119.800 0.129 0.000 2.451 57 Q HA -0.174 4.162 4.340 -0.007 0.000 0.334 57 Q C -1.812 174.251 176.000 0.104 0.000 1.462 57 Q CA 0.885 56.748 55.803 0.100 0.000 0.876 57 Q CB -1.486 27.298 28.738 0.076 0.000 1.125 57 Q HN 0.491 nan 8.270 nan 0.000 0.358 58 P HA -0.028 nan 4.420 nan 0.000 0.236 58 P C 1.071 178.479 177.300 0.180 0.000 1.177 58 P CA 0.655 63.811 63.100 0.092 0.000 0.773 58 P CB 0.267 31.934 31.700 -0.055 0.000 0.878 59 L N -1.188 120.091 121.223 0.092 0.000 2.818 59 L HA 0.226 4.561 4.340 -0.007 0.000 0.243 59 L C 0.993 177.831 176.870 -0.055 0.000 1.185 59 L CA -0.445 54.381 54.840 -0.024 0.000 0.988 59 L CB -0.190 41.775 42.059 -0.157 0.000 1.292 59 L HN -0.133 nan 8.230 nan 0.000 0.519 60 K N 0.633 121.112 120.400 0.132 0.000 2.524 60 K HA 0.143 4.459 4.320 -0.007 0.000 0.279 60 K C 1.298 178.048 176.600 0.250 0.000 0.993 60 K CA 1.180 57.548 56.287 0.134 0.000 1.030 60 K CB 0.352 32.937 32.500 0.142 0.000 0.891 60 K HN 0.240 nan 8.250 nan 0.000 0.488 61 G N 1.777 110.645 108.800 0.113 0.000 2.225 61 G HA2 -0.312 3.644 3.960 -0.007 0.000 0.254 61 G HA3 -0.312 3.644 3.960 -0.007 0.000 0.254 61 G C 0.094 174.901 174.900 -0.154 0.000 0.988 61 G CA 0.133 45.348 45.100 0.191 0.000 0.625 61 G HN 0.913 nan 8.290 nan 0.000 0.527 62 A N 0.301 122.708 122.820 -0.687 0.000 2.401 62 A HA 0.735 5.051 4.320 -0.007 0.000 0.259 62 A C 0.631 177.832 177.584 -0.639 0.000 1.103 62 A CA 0.165 51.457 52.037 -1.242 0.000 0.789 62 A CB 0.296 18.520 19.000 -1.293 0.000 1.035 62 A HN 0.481 nan 8.150 nan 0.000 0.491 63 R N 2.438 122.534 120.500 -0.673 0.000 2.407 63 R HA 0.382 4.718 4.340 -0.007 0.000 0.298 63 R C -1.450 174.574 176.300 -0.459 0.000 1.166 63 R CA -0.127 55.530 56.100 -0.739 0.000 1.006 63 R CB 1.219 30.669 30.300 -1.417 0.000 1.145 63 R HN 0.709 nan 8.270 nan 0.000 0.538 64 I N 1.629 122.195 120.570 -0.007 0.000 2.312 64 I HA 0.163 4.329 4.170 -0.007 0.000 0.290 64 I C 0.209 176.461 176.117 0.225 0.000 1.008 64 I CA -0.220 61.101 61.300 0.036 0.000 1.226 64 I CB 1.849 39.853 38.000 0.007 0.000 1.371 64 I HN 0.352 nan 8.210 nan 0.000 0.468 65 S N 4.587 120.357 115.700 0.117 0.000 2.416 65 S HA 0.471 4.936 4.470 -0.007 0.000 0.287 65 S C 0.329 174.728 174.600 -0.335 0.000 1.139 65 S CA -0.557 57.648 58.200 0.009 0.000 1.058 65 S CB 0.787 64.041 63.200 0.090 0.000 0.967 65 S HN 0.778 nan 8.310 nan 0.000 0.495 66 G N 1.531 109.877 108.800 -0.755 0.000 2.372 66 G HA2 0.510 4.466 3.960 -0.007 0.000 0.323 66 G HA3 0.510 4.466 3.960 -0.007 0.000 0.323 66 G C -0.700 173.376 174.900 -1.375 0.000 1.152 66 G CA -0.502 43.645 45.100 -1.588 0.000 0.906 66 G HN 0.561 nan 8.290 nan 0.000 0.460 67 S N 2.426 117.638 115.700 -0.813 0.000 2.539 67 S HA 0.623 5.088 4.470 -0.007 0.000 0.235 67 S C -0.895 173.550 174.600 -0.259 0.000 1.326 67 S CA -0.648 57.283 58.200 -0.449 0.000 1.183 67 S CB -0.183 62.865 63.200 -0.253 0.000 1.073 67 S HN 0.634 nan 8.310 nan 0.000 0.480 68 L N 4.943 126.099 121.223 -0.111 0.000 2.641 68 L HA 0.443 4.778 4.340 -0.007 0.000 0.261 68 L C -0.632 176.340 176.870 0.171 0.000 0.926 68 L CA -0.753 54.109 54.840 0.036 0.000 0.917 68 L CB 1.371 43.586 42.059 0.260 0.000 1.361 68 L HN 0.685 nan 8.230 nan 0.000 0.417 69 H N 3.921 123.104 119.070 0.187 0.000 3.190 69 H HA -0.132 4.420 4.556 -0.007 0.000 0.308 69 H C 0.073 175.496 175.328 0.158 0.000 0.972 69 H CA 0.475 56.610 56.048 0.144 0.000 1.349 69 H CB 0.482 30.300 29.762 0.093 0.000 1.267 69 H HN 0.419 nan 8.280 nan 0.000 0.584 70 M N 4.022 123.761 119.600 0.231 0.000 3.028 70 M HA 0.121 4.597 4.480 -0.007 0.000 0.296 70 M C -0.429 175.899 176.300 0.046 0.000 1.314 70 M CA -0.523 54.847 55.300 0.117 0.000 1.383 70 M CB -0.694 31.984 32.600 0.129 0.000 1.128 70 M HN 0.642 nan 8.290 nan 0.000 0.544 71 T N -1.199 113.372 114.554 0.029 0.000 2.940 71 T HA 0.566 4.912 4.350 -0.007 0.000 0.288 71 T C 1.114 175.770 174.700 -0.075 0.000 1.045 71 T CA -0.913 61.190 62.100 0.006 0.000 1.018 71 T CB 1.038 69.952 68.868 0.076 0.000 1.151 71 T HN 0.109 nan 8.240 nan 0.000 0.529 72 V N 1.561 121.411 119.914 -0.106 0.000 2.250 72 V HA -0.277 3.839 4.120 -0.007 0.000 0.250 72 V C 2.907 178.973 176.094 -0.047 0.000 1.060 72 V CA 2.366 64.591 62.300 -0.124 0.000 1.030 72 V CB -1.254 30.514 31.823 -0.093 0.000 0.643 72 V HN 0.877 nan 8.190 nan 0.000 0.445 73 Q N -0.078 119.749 119.800 0.046 0.000 2.096 73 Q HA -0.223 4.113 4.340 -0.007 0.000 0.208 73 Q C 2.289 178.428 176.000 0.232 0.000 0.993 73 Q CA 2.715 58.626 55.803 0.179 0.000 0.862 73 Q CB -1.134 27.736 28.738 0.220 0.000 0.915 73 Q HN 0.659 nan 8.270 nan 0.000 0.416 74 T N 0.357 114.971 114.554 0.100 0.000 2.821 74 T HA -0.078 4.268 4.350 -0.007 0.000 0.267 74 T C 1.837 176.282 174.700 -0.425 0.000 1.046 74 T CA 1.057 63.006 62.100 -0.252 0.000 1.139 74 T CB -0.494 68.250 68.868 -0.207 0.000 0.871 74 T HN 0.449 nan 8.240 nan 0.000 0.454 75 A N 1.088 123.723 122.820 -0.308 0.000 1.958 75 A HA -0.135 4.181 4.320 -0.007 0.000 0.221 75 A C 2.504 179.925 177.584 -0.273 0.000 1.178 75 A CA 1.785 53.630 52.037 -0.319 0.000 0.642 75 A CB -1.032 17.820 19.000 -0.247 0.000 0.816 75 A HN 0.404 nan 8.150 nan 0.000 0.453 76 V N -0.634 119.171 119.914 -0.181 0.000 2.591 76 V HA -0.145 3.971 4.120 -0.007 0.000 0.249 76 V C 2.374 178.373 176.094 -0.158 0.000 1.053 76 V CA 1.513 63.738 62.300 -0.125 0.000 1.068 76 V CB -0.728 31.073 31.823 -0.036 0.000 0.689 76 V HN 0.575 nan 8.190 nan 0.000 0.462 77 L N 0.528 121.600 121.223 -0.250 0.000 1.976 77 L HA -0.144 4.191 4.340 -0.007 0.000 0.209 77 L C 2.237 178.885 176.870 -0.370 0.000 1.071 77 L CA 2.005 56.630 54.840 -0.359 0.000 0.746 77 L CB -0.588 40.993 42.059 -0.798 0.000 0.890 77 L HN 0.196 nan 8.230 nan 0.000 0.432 78 I N -0.285 119.948 120.570 -0.563 0.000 2.145 78 I HA -0.355 3.811 4.170 -0.007 0.000 0.244 78 I C 2.287 178.236 176.117 -0.280 0.000 1.075 78 I CA 1.946 62.916 61.300 -0.549 0.000 1.332 78 I CB -0.401 37.165 38.000 -0.723 0.000 1.033 78 I HN 0.419 nan 8.210 nan 0.000 0.410 79 E N -0.472 119.587 120.200 -0.235 0.000 2.435 79 E HA -0.078 4.268 4.350 -0.007 0.000 0.195 79 E C 1.984 178.524 176.600 -0.101 0.000 1.029 79 E CA 0.775 57.086 56.400 -0.148 0.000 0.865 79 E CB 0.113 29.729 29.700 -0.141 0.000 0.833 79 E HN 0.477 nan 8.360 nan 0.000 0.510 80 T N 1.412 115.903 114.554 -0.106 0.000 2.770 80 T HA -0.054 4.291 4.350 -0.007 0.000 0.263 80 T C 1.935 176.603 174.700 -0.054 0.000 1.039 80 T CA 0.634 62.696 62.100 -0.062 0.000 1.142 80 T CB -0.087 68.751 68.868 -0.049 0.000 0.868 80 T HN 0.104 nan 8.240 nan 0.000 0.435 81 L N 1.422 122.599 121.223 -0.077 0.000 2.079 81 L HA -0.134 4.202 4.340 -0.007 0.000 0.210 81 L C 3.018 179.862 176.870 -0.044 0.000 1.081 81 L CA 1.720 56.527 54.840 -0.055 0.000 0.752 81 L CB -1.219 40.819 42.059 -0.036 0.000 0.896 81 L HN 0.471 nan 8.230 nan 0.000 0.433 82 T N -3.170 111.357 114.554 -0.045 0.000 2.985 82 T HA 0.033 4.379 4.350 -0.007 0.000 0.266 82 T C 1.899 176.592 174.700 -0.012 0.000 1.076 82 T CA 0.655 62.741 62.100 -0.024 0.000 1.135 82 T CB -0.137 68.717 68.868 -0.024 0.000 0.890 82 T HN 0.272 nan 8.240 nan 0.000 0.480 83 A N 1.524 124.336 122.820 -0.013 0.000 2.070 83 A HA 0.285 4.601 4.320 -0.007 0.000 0.220 83 A C 2.116 179.712 177.584 0.020 0.000 1.159 83 A CA 0.813 52.853 52.037 0.006 0.000 0.656 83 A CB -0.719 18.284 19.000 0.005 0.000 0.800 83 A HN 0.613 nan 8.150 nan 0.000 0.453 84 L N -1.667 119.562 121.223 0.010 0.000 2.653 84 L HA 0.307 4.643 4.340 -0.007 0.000 0.231 84 L C 1.521 178.397 176.870 0.010 0.000 1.153 84 L CA 0.463 55.315 54.840 0.019 0.000 0.933 84 L CB -0.152 41.904 42.059 -0.004 0.000 1.175 84 L HN 0.519 nan 8.230 nan 0.000 0.473 85 G N -0.044 108.759 108.800 0.005 0.000 2.195 85 G HA2 -0.232 3.724 3.960 -0.007 0.000 0.224 85 G HA3 -0.232 3.724 3.960 -0.007 0.000 0.224 85 G C 0.438 175.321 174.900 -0.028 0.000 0.990 85 G CA -0.094 45.009 45.100 0.005 0.000 0.639 85 G HN 0.471 nan 8.290 nan 0.000 0.514 86 A N -0.008 122.776 122.820 -0.060 0.000 2.346 86 A HA 0.683 4.999 4.320 -0.007 0.000 0.252 86 A C 0.261 177.837 177.584 -0.012 0.000 1.089 86 A CA 0.398 52.376 52.037 -0.098 0.000 0.797 86 A CB 0.361 19.293 19.000 -0.114 0.000 1.047 86 A HN 0.500 nan 8.150 nan 0.000 0.494 87 E N -0.764 119.452 120.200 0.026 0.000 2.195 87 E HA 0.508 4.854 4.350 -0.007 0.000 0.271 87 E C -0.653 176.164 176.600 0.360 0.000 0.923 87 E CA -0.703 55.819 56.400 0.203 0.000 0.790 87 E CB 2.086 31.980 29.700 0.323 0.000 1.155 87 E HN 0.682 nan 8.360 nan 0.000 0.402 88 V N 0.239 120.343 119.914 0.317 0.000 2.962 88 V HA 0.704 4.820 4.120 -0.007 0.000 0.313 88 V C -1.066 175.096 176.094 0.113 0.000 1.099 88 V CA -0.858 61.641 62.300 0.333 0.000 0.971 88 V CB 2.017 34.045 31.823 0.342 0.000 1.028 88 V HN 0.633 nan 8.190 nan 0.000 0.430 89 R N 3.274 123.817 120.500 0.072 0.000 2.686 89 R HA 0.567 4.903 4.340 -0.007 0.000 0.283 89 R C -1.718 174.673 176.300 0.151 0.000 0.978 89 R CA -0.490 55.573 56.100 -0.062 0.000 0.897 89 R CB 2.332 32.350 30.300 -0.470 0.000 1.192 89 R HN 0.862 nan 8.270 nan 0.000 0.457 90 W N 1.308 122.609 121.300 0.001 0.000 2.915 90 W HA 0.700 5.356 4.660 -0.007 0.000 0.337 90 W C -1.427 175.142 176.519 0.083 0.000 1.102 90 W CA -0.395 56.958 57.345 0.013 0.000 1.224 90 W CB 2.349 31.787 29.460 -0.036 0.000 1.416 90 W HN 0.676 nan 8.180 nan 0.000 0.503 91 A N 2.164 124.990 122.820 0.010 0.000 2.556 91 A HA 0.582 4.898 4.320 -0.007 0.000 0.294 91 A C -0.887 176.736 177.584 0.065 0.000 1.091 91 A CA -0.472 51.617 52.037 0.086 0.000 0.704 91 A CB 1.827 20.796 19.000 -0.053 0.000 1.300 91 A HN 0.378 nan 8.150 nan 0.000 0.406 92 S N -1.009 114.751 115.700 0.100 0.000 2.603 92 S HA 0.269 4.735 4.470 -0.007 0.000 0.268 92 S C 1.139 175.792 174.600 0.088 0.000 1.317 92 S CA 0.029 58.293 58.200 0.106 0.000 1.012 92 S CB 0.282 63.550 63.200 0.113 0.000 0.926 92 S HN 1.614 nan 8.310 nan 0.000 0.539 93 C N 2.738 122.037 119.300 -0.002 0.000 2.906 93 C HA 0.498 4.954 4.460 -0.007 0.000 0.274 93 C C 0.566 175.509 174.990 -0.078 0.000 1.257 93 C CA -0.883 58.143 59.018 0.013 0.000 1.695 93 C CB -1.723 25.894 27.740 -0.205 0.000 1.958 93 C HN 0.738 nan 8.230 nan 0.000 0.619 94 N N 1.067 119.721 118.700 -0.076 0.000 2.229 94 N HA 0.403 5.139 4.740 -0.007 0.000 0.298 94 N C 0.630 175.977 175.510 -0.271 0.000 1.114 94 N CA -0.393 52.539 53.050 -0.197 0.000 0.776 94 N CB 1.767 40.318 38.487 0.107 0.000 1.501 94 N HN 0.406 nan 8.380 nan 0.000 0.474 95 I N -0.936 119.316 120.570 -0.530 0.000 2.830 95 I HA 0.061 4.227 4.170 -0.007 0.000 0.263 95 I C 0.256 176.111 176.117 -0.437 0.000 1.230 95 I CA 0.964 61.920 61.300 -0.573 0.000 1.480 95 I CB -0.185 37.311 38.000 -0.841 0.000 1.095 95 I HN 0.223 nan 8.210 nan 0.000 0.455 96 F N 1.071 120.998 119.950 -0.038 0.000 2.706 96 F HA 0.205 4.728 4.527 -0.007 0.000 0.308 96 F C 2.406 178.220 175.800 0.023 0.000 1.095 96 F CA 0.053 58.054 58.000 0.002 0.000 1.244 96 F CB -0.225 38.775 39.000 0.001 0.000 1.063 96 F HN 0.118 nan 8.300 nan 0.000 0.582 97 S N -1.913 113.892 115.700 0.174 0.000 2.524 97 S HA 0.050 4.516 4.470 -0.007 0.000 0.216 97 S C 0.925 175.609 174.600 0.141 0.000 0.987 97 S CA -0.011 58.268 58.200 0.131 0.000 0.909 97 S CB -0.841 62.418 63.200 0.098 0.000 0.781 97 S HN 0.060 nan 8.310 nan 0.000 0.521 98 T N 3.370 118.012 114.554 0.146 0.000 2.902 98 T HA 0.132 4.478 4.350 -0.007 0.000 0.301 98 T C -0.291 174.495 174.700 0.144 0.000 1.012 98 T CA 0.382 62.565 62.100 0.139 0.000 1.151 98 T CB 0.477 69.423 68.868 0.130 0.000 0.946 98 T HN 0.432 nan 8.240 nan 0.000 0.542 99 Q N 2.627 122.494 119.800 0.112 0.000 2.360 99 Q HA 0.162 4.498 4.340 -0.007 0.000 0.254 99 Q C 0.533 176.603 176.000 0.117 0.000 0.975 99 Q CA -0.628 55.258 55.803 0.138 0.000 0.912 99 Q CB 1.080 29.872 28.738 0.089 0.000 1.212 99 Q HN 0.519 nan 8.270 nan 0.000 0.452 100 D N 1.165 121.697 120.400 0.221 0.000 2.149 100 D HA -0.206 4.430 4.640 -0.007 0.000 0.198 100 D C 1.624 178.016 176.300 0.153 0.000 0.990 100 D CA 1.384 55.506 54.000 0.202 0.000 0.839 100 D CB 0.143 41.083 40.800 0.232 0.000 0.948 100 D HN 0.680 nan 8.370 nan 0.000 0.460 101 H N -0.344 118.746 119.070 0.033 0.000 2.529 101 H HA 0.295 4.846 4.556 -0.007 0.000 0.277 101 H C 1.625 176.880 175.328 -0.121 0.000 0.999 101 H CA 1.082 57.111 56.048 -0.032 0.000 1.256 101 H CB -0.174 29.533 29.762 -0.092 0.000 1.402 101 H HN 0.059 nan 8.280 nan 0.000 0.566 102 A N 1.727 124.193 122.820 -0.590 0.000 1.878 102 A HA 0.279 4.595 4.320 -0.007 0.000 0.213 102 A C 2.761 180.193 177.584 -0.252 0.000 1.192 102 A CA 1.328 53.068 52.037 -0.496 0.000 0.619 102 A CB -0.971 17.755 19.000 -0.457 0.000 0.837 102 A HN 0.499 nan 8.150 nan 0.000 0.446 103 A N 0.235 122.969 122.820 -0.144 0.000 1.927 103 A HA 0.024 4.340 4.320 -0.007 0.000 0.220 103 A C 2.461 179.981 177.584 -0.107 0.000 1.185 103 A CA 2.498 54.487 52.037 -0.079 0.000 0.639 103 A CB -1.032 17.989 19.000 0.034 0.000 0.820 103 A HN 1.034 nan 8.150 nan 0.000 0.451 104 A N -0.264 122.504 122.820 -0.087 0.000 1.841 104 A HA 0.197 4.513 4.320 -0.007 0.000 0.214 104 A C 2.552 180.052 177.584 -0.140 0.000 1.195 104 A CA 2.172 54.151 52.037 -0.097 0.000 0.611 104 A CB -1.281 17.703 19.000 -0.026 0.000 0.835 104 A HN 1.243 nan 8.150 nan 0.000 0.443 105 A N -0.661 122.076 122.820 -0.139 0.000 2.032 105 A HA -0.023 4.293 4.320 -0.007 0.000 0.221 105 A C 2.180 179.663 177.584 -0.169 0.000 1.165 105 A CA 1.954 53.903 52.037 -0.147 0.000 0.645 105 A CB -0.835 18.071 19.000 -0.157 0.000 0.807 105 A HN 0.400 nan 8.150 nan 0.000 0.453 106 V N -0.792 119.008 119.914 -0.190 0.000 2.283 106 V HA -0.190 3.926 4.120 -0.007 0.000 0.243 106 V C 2.517 178.491 176.094 -0.200 0.000 1.039 106 V CA 1.774 63.953 62.300 -0.201 0.000 1.016 106 V CB -0.842 30.846 31.823 -0.226 0.000 0.650 106 V HN 0.351 nan 8.190 nan 0.000 0.449 107 V N -0.031 119.741 119.914 -0.237 0.000 2.453 107 V HA -0.220 3.895 4.120 -0.007 0.000 0.252 107 V C 2.242 178.172 176.094 -0.273 0.000 1.068 107 V CA 1.979 64.086 62.300 -0.321 0.000 1.070 107 V CB -0.407 31.083 31.823 -0.556 0.000 0.664 107 V HN 0.437 nan 8.190 nan 0.000 0.461 108 V N -1.062 118.721 119.914 -0.218 0.000 3.174 108 V HA 0.428 4.544 4.120 -0.007 0.000 0.254 108 V C 1.184 177.210 176.094 -0.113 0.000 1.120 108 V CA 0.785 62.989 62.300 -0.160 0.000 1.114 108 V CB -0.496 31.245 31.823 -0.136 0.000 0.756 108 V HN 0.759 nan 8.190 nan 0.000 0.467 109 G N 0.970 109.695 108.800 -0.125 0.000 2.860 109 G HA2 -0.163 3.792 3.960 -0.007 0.000 0.553 109 G HA3 -0.163 3.792 3.960 -0.007 0.000 0.553 109 G C -1.757 173.059 174.900 -0.140 0.000 1.439 109 G CA -0.165 44.871 45.100 -0.108 0.000 0.879 109 G HN 0.255 nan 8.290 nan 0.000 0.545 110 P HA 0.052 nan 4.420 nan 0.000 0.226 110 P C 0.920 177.876 177.300 -0.573 0.000 1.153 110 P CA 1.548 64.400 63.100 -0.414 0.000 0.777 110 P CB 0.042 31.411 31.700 -0.551 0.000 0.794 111 H N -3.069 115.981 119.070 -0.033 0.000 3.360 111 H HA 0.334 4.886 4.556 -0.007 0.000 0.262 111 H C 1.267 176.580 175.328 -0.024 0.000 1.149 111 H CA 0.213 56.247 56.048 -0.024 0.000 1.181 111 H CB 0.391 30.141 29.762 -0.019 0.000 1.564 111 H HN 0.048 nan 8.280 nan 0.000 0.565 112 G N 0.527 109.352 108.800 0.041 0.000 2.509 112 G HA2 0.416 4.371 3.960 -0.007 0.000 0.269 112 G HA3 0.416 4.371 3.960 -0.007 0.000 0.269 112 G C -0.506 174.391 174.900 -0.006 0.000 1.416 112 G CA -0.035 45.072 45.100 0.013 0.000 1.052 112 G HN 0.134 nan 8.290 nan 0.000 0.542 113 T N 0.099 114.643 114.554 -0.016 0.000 2.932 113 T HA 0.398 4.744 4.350 -0.007 0.000 0.318 113 T C -2.099 172.586 174.700 -0.024 0.000 1.265 113 T CA -0.631 61.462 62.100 -0.013 0.000 1.036 113 T CB 2.441 71.310 68.868 0.002 0.000 1.209 113 T HN 0.136 nan 8.240 nan 0.000 0.484 114 P HA -0.176 nan 4.420 nan 0.000 0.218 114 P C 0.905 178.207 177.300 0.004 0.000 1.150 114 P CA 1.366 64.454 63.100 -0.020 0.000 0.841 114 P CB 0.227 31.927 31.700 -0.000 0.000 0.784 115 D N -1.411 118.996 120.400 0.012 0.000 2.183 115 D HA -0.053 4.582 4.640 -0.007 0.000 0.205 115 D C 0.870 177.186 176.300 0.026 0.000 0.962 115 D CA 0.855 54.870 54.000 0.025 0.000 0.849 115 D CB 0.120 40.933 40.800 0.022 0.000 0.978 115 D HN 0.266 nan 8.370 nan 0.000 0.488 116 E N 1.354 121.562 120.200 0.013 0.000 2.916 116 E HA 0.231 4.576 4.350 -0.007 0.000 0.217 116 E C -2.681 173.916 176.600 -0.006 0.000 1.100 116 E CA -2.153 54.255 56.400 0.012 0.000 0.891 116 E CB 1.454 31.162 29.700 0.015 0.000 1.311 116 E HN -0.070 nan 8.360 nan 0.000 0.421 117 P HA 0.076 nan 4.420 nan 0.000 0.271 117 P C -0.465 176.809 177.300 -0.044 0.000 1.218 117 P CA 0.015 63.072 63.100 -0.071 0.000 0.780 117 P CB 0.660 32.269 31.700 -0.153 0.000 0.901 118 K N 1.230 121.601 120.400 -0.048 0.000 2.826 118 K HA 0.339 4.654 4.320 -0.007 0.000 0.206 118 K C 0.589 177.170 176.600 -0.031 0.000 1.116 118 K CA -0.265 56.011 56.287 -0.018 0.000 1.045 118 K CB 1.035 33.547 32.500 0.019 0.000 0.758 118 K HN 0.571 nan 8.250 nan 0.000 0.465 119 G N 0.494 109.252 108.800 -0.071 0.000 3.175 119 G HA2 0.517 4.473 3.960 -0.007 0.000 0.153 119 G HA3 0.517 4.473 3.960 -0.007 0.000 0.153 119 G C -0.612 174.241 174.900 -0.078 0.000 1.216 119 G CA -0.278 44.771 45.100 -0.085 0.000 0.943 119 G HN 0.035 nan 8.290 nan 0.000 0.611 120 V N -1.939 117.914 119.914 -0.101 0.000 2.815 120 V HA 0.752 4.868 4.120 -0.007 0.000 0.314 120 V C -2.818 173.215 176.094 -0.102 0.000 1.064 120 V CA -2.551 59.704 62.300 -0.075 0.000 0.952 120 V CB 1.898 33.693 31.823 -0.047 0.000 1.020 120 V HN 0.435 nan 8.190 nan 0.000 0.439 121 P HA 0.328 nan 4.420 nan 0.000 0.267 121 P C -0.842 176.359 177.300 -0.165 0.000 1.205 121 P CA 0.161 63.176 63.100 -0.143 0.000 0.765 121 P CB 0.858 32.505 31.700 -0.090 0.000 0.828 122 V N 4.612 124.340 119.914 -0.311 0.000 2.638 122 V HA 0.403 4.519 4.120 -0.007 0.000 0.306 122 V C -0.623 175.261 176.094 -0.350 0.000 1.052 122 V CA -0.313 61.890 62.300 -0.160 0.000 0.885 122 V CB 1.600 33.391 31.823 -0.053 0.000 0.999 122 V HN 0.296 nan 8.190 nan 0.000 0.424 123 F N 3.418 123.496 119.950 0.212 0.000 2.453 123 F HA 0.815 5.338 4.527 -0.007 0.000 0.358 123 F C 0.373 176.312 175.800 0.232 0.000 1.129 123 F CA -0.347 57.827 58.000 0.290 0.000 1.200 123 F CB 1.487 40.570 39.000 0.139 0.000 1.431 123 F HN 0.576 nan 8.300 nan 0.000 0.503 124 A N 2.637 125.720 122.820 0.438 0.000 2.512 124 A HA 0.727 5.043 4.320 -0.007 0.000 0.294 124 A C -1.952 175.902 177.584 0.450 0.000 1.054 124 A CA -0.741 51.437 52.037 0.235 0.000 0.756 124 A CB 0.575 19.688 19.000 0.188 0.000 1.293 124 A HN 0.688 nan 8.150 nan 0.000 0.395 125 W N 1.528 122.932 121.300 0.172 0.000 3.217 125 W HA 0.725 5.381 4.660 -0.007 0.000 0.323 125 W C -0.533 176.078 176.519 0.153 0.000 1.216 125 W CA -0.977 56.457 57.345 0.149 0.000 1.194 125 W CB 1.175 30.719 29.460 0.139 0.000 1.397 125 W HN 0.744 nan 8.180 nan 0.000 0.537 126 K N 2.075 122.657 120.400 0.304 0.000 2.412 126 K HA 0.428 4.744 4.320 -0.007 0.000 0.281 126 K C 0.837 177.614 176.600 0.295 0.000 1.027 126 K CA 0.948 57.380 56.287 0.241 0.000 0.989 126 K CB 0.222 32.864 32.500 0.237 0.000 0.935 126 K HN 1.393 nan 8.250 nan 0.000 0.475 127 G N 3.166 112.136 108.800 0.284 0.000 2.370 127 G HA2 -0.215 3.741 3.960 -0.007 0.000 0.268 127 G HA3 -0.215 3.741 3.960 -0.007 0.000 0.268 127 G C -0.603 174.428 174.900 0.219 0.000 1.122 127 G CA -0.131 45.186 45.100 0.361 0.000 0.963 127 G HN 0.712 nan 8.290 nan 0.000 0.500 128 E N 0.785 120.940 120.200 -0.074 0.000 2.366 128 E HA 0.460 4.806 4.350 -0.007 0.000 0.266 128 E C 1.368 177.947 176.600 -0.036 0.000 1.051 128 E CA 0.255 56.564 56.400 -0.152 0.000 0.884 128 E CB 0.722 30.152 29.700 -0.449 0.000 1.006 128 E HN 0.498 nan 8.360 nan 0.000 0.417 129 T N -0.528 114.080 114.554 0.090 0.000 2.828 129 T HA 0.125 4.471 4.350 -0.007 0.000 0.290 129 T C 1.386 176.115 174.700 0.048 0.000 1.019 129 T CA -0.637 61.507 62.100 0.073 0.000 1.031 129 T CB 0.486 69.429 68.868 0.125 0.000 1.001 129 T HN 0.391 nan 8.240 nan 0.000 0.531 130 L N 0.111 121.372 121.223 0.062 0.000 2.191 130 L HA -0.086 4.250 4.340 -0.007 0.000 0.212 130 L C 2.678 179.698 176.870 0.250 0.000 1.103 130 L CA 1.350 56.265 54.840 0.125 0.000 0.769 130 L CB -0.673 41.480 42.059 0.157 0.000 0.908 130 L HN 0.698 nan 8.230 nan 0.000 0.438 131 E N 0.226 120.554 120.200 0.214 0.000 2.107 131 E HA -0.168 4.177 4.350 -0.007 0.000 0.191 131 E C 1.989 178.748 176.600 0.266 0.000 0.982 131 E CA 0.856 57.399 56.400 0.238 0.000 0.809 131 E CB -0.018 29.778 29.700 0.159 0.000 0.756 131 E HN 0.434 nan 8.360 nan 0.000 0.459 132 E N -0.896 119.438 120.200 0.222 0.000 2.299 132 E HA -0.113 4.233 4.350 -0.007 0.000 0.193 132 E C 1.361 178.063 176.600 0.171 0.000 0.998 132 E CA 0.268 56.822 56.400 0.258 0.000 0.851 132 E CB -0.010 29.882 29.700 0.319 0.000 0.795 132 E HN 0.295 nan 8.360 nan 0.000 0.492 133 Y N -0.528 119.738 120.300 -0.056 0.000 2.184 133 Y HA -0.166 4.380 4.550 -0.007 0.000 0.290 133 Y C 1.389 177.190 175.900 -0.165 0.000 1.129 133 Y CA 1.436 59.390 58.100 -0.243 0.000 1.144 133 Y CB -0.341 37.861 38.460 -0.430 0.000 0.995 133 Y HN 0.035 nan 8.280 nan 0.000 0.513 134 W N -1.298 120.003 121.300 0.001 0.000 2.519 134 W HA -0.105 4.550 4.660 -0.007 0.000 0.266 134 W C 1.994 178.512 176.519 -0.001 0.000 1.253 134 W CA 0.509 57.819 57.345 -0.060 0.000 1.274 134 W CB -0.589 28.936 29.460 0.108 0.000 1.114 134 W HN 0.311 nan 8.180 nan 0.000 0.596 135 W N 0.814 122.187 121.300 0.121 0.000 2.418 135 W HA -0.079 4.577 4.660 -0.007 0.000 0.292 135 W C 2.251 178.745 176.519 -0.041 0.000 1.213 135 W CA 2.400 59.783 57.345 0.064 0.000 1.283 135 W CB -0.417 29.107 29.460 0.107 0.000 1.119 135 W HN -0.164 nan 8.180 nan 0.000 0.542 136 A N 0.575 123.461 122.820 0.109 0.000 1.929 136 A HA 0.052 4.368 4.320 -0.007 0.000 0.216 136 A C 2.072 179.456 177.584 -0.333 0.000 1.176 136 A CA 1.896 53.864 52.037 -0.115 0.000 0.628 136 A CB -1.422 17.618 19.000 0.067 0.000 0.816 136 A HN 0.341 nan 8.150 nan 0.000 0.444 137 A N 0.120 122.749 122.820 -0.318 0.000 1.865 137 A HA -0.249 4.067 4.320 -0.007 0.000 0.217 137 A C 2.040 179.528 177.584 -0.161 0.000 1.191 137 A CA 2.019 53.902 52.037 -0.257 0.000 0.623 137 A CB -0.678 18.204 19.000 -0.197 0.000 0.826 137 A HN 0.679 nan 8.150 nan 0.000 0.444 138 E N -0.831 119.300 120.200 -0.115 0.000 2.058 138 E HA -0.263 4.083 4.350 -0.007 0.000 0.194 138 E C 2.168 178.595 176.600 -0.288 0.000 0.997 138 E CA 1.399 57.774 56.400 -0.042 0.000 0.801 138 E CB -0.158 29.556 29.700 0.023 0.000 0.746 138 E HN 0.583 nan 8.360 nan 0.000 0.450 139 Q N 0.411 119.806 119.800 -0.675 0.000 2.045 139 Q HA -0.241 4.094 4.340 -0.007 0.000 0.206 139 Q C 2.221 177.759 176.000 -0.770 0.000 0.991 139 Q CA 1.730 56.938 55.803 -0.991 0.000 0.851 139 Q CB -0.749 26.841 28.738 -1.914 0.000 0.911 139 Q HN 0.463 nan 8.270 nan 0.000 0.418 140 M N 0.422 119.643 119.600 -0.632 0.000 2.106 140 M HA -0.172 4.304 4.480 -0.007 0.000 0.259 140 M C 1.878 178.057 176.300 -0.203 0.000 1.068 140 M CA 1.615 56.741 55.300 -0.289 0.000 1.100 140 M CB -0.490 32.010 32.600 -0.168 0.000 1.351 140 M HN 0.214 nan 8.290 nan 0.000 0.404 141 L N -0.195 120.964 121.223 -0.106 0.000 2.395 141 L HA -0.035 4.301 4.340 -0.007 0.000 0.218 141 L C 0.476 177.421 176.870 0.125 0.000 1.130 141 L CA 0.412 55.299 54.840 0.079 0.000 0.826 141 L CB -0.275 41.896 42.059 0.187 0.000 0.941 141 L HN 0.171 nan 8.230 nan 0.000 0.451 142 T N 0.044 114.564 114.554 -0.057 0.000 3.016 142 T HA 0.152 4.498 4.350 -0.007 0.000 0.335 142 T C -0.553 174.106 174.700 -0.067 0.000 1.176 142 T CA -0.500 61.561 62.100 -0.065 0.000 0.987 142 T CB -0.151 68.605 68.868 -0.186 0.000 1.073 142 T HN 0.038 nan 8.240 nan 0.000 0.547 143 W N 3.541 124.790 121.300 -0.086 0.000 2.137 143 W HA 0.242 4.898 4.660 -0.007 0.000 0.344 143 W C -1.274 175.218 176.519 -0.045 0.000 1.286 143 W CA -1.612 55.704 57.345 -0.049 0.000 1.240 143 W CB -0.015 29.419 29.460 -0.042 0.000 1.141 143 W HN 0.463 nan 8.180 nan 0.000 0.579 144 P HA -0.151 nan 4.420 nan 0.000 0.218 144 P C 0.024 177.376 177.300 0.086 0.000 1.149 144 P CA 1.427 64.576 63.100 0.082 0.000 0.817 144 P CB 0.239 31.984 31.700 0.075 0.000 0.785 145 D N -0.791 119.686 120.400 0.128 0.000 2.443 145 D HA 0.127 4.763 4.640 -0.007 0.000 0.221 145 D C -1.778 174.554 176.300 0.054 0.000 1.097 145 D CA -2.257 51.790 54.000 0.078 0.000 0.865 145 D CB 1.181 42.031 40.800 0.082 0.000 1.034 145 D HN -0.072 nan 8.370 nan 0.000 0.511 146 P HA -0.103 nan 4.420 nan 0.000 0.222 146 P C 0.628 177.923 177.300 -0.008 0.000 1.142 146 P CA 0.783 63.881 63.100 -0.002 0.000 0.788 146 P CB 0.474 32.164 31.700 -0.017 0.000 0.767 147 D N -0.604 119.796 120.400 -0.001 0.000 2.194 147 D HA -0.024 4.612 4.640 -0.007 0.000 0.204 147 D C 0.543 176.831 176.300 -0.020 0.000 0.964 147 D CA 1.079 55.073 54.000 -0.009 0.000 0.846 147 D CB 0.006 40.804 40.800 -0.003 0.000 0.962 147 D HN 0.275 nan 8.370 nan 0.000 0.490 148 K N 1.684 122.073 120.400 -0.019 0.000 2.499 148 K HA 0.270 4.586 4.320 -0.007 0.000 0.215 148 K C -2.453 174.083 176.600 -0.107 0.000 1.041 148 K CA -1.433 54.814 56.287 -0.067 0.000 1.031 148 K CB 2.297 34.759 32.500 -0.064 0.000 1.479 148 K HN 0.051 nan 8.250 nan 0.000 0.518 149 P HA 0.084 nan 4.420 nan 0.000 0.297 149 P C -0.422 176.606 177.300 -0.454 0.000 1.303 149 P CA -0.619 62.397 63.100 -0.140 0.000 0.753 149 P CB 0.480 32.145 31.700 -0.058 0.000 1.281 150 A N 1.188 123.761 122.820 -0.412 0.000 2.548 150 A HA 0.022 4.338 4.320 -0.007 0.000 0.247 150 A C 0.911 178.290 177.584 -0.343 0.000 1.067 150 A CA 0.112 51.853 52.037 -0.492 0.000 0.757 150 A CB -1.125 17.840 19.000 -0.058 0.000 0.996 150 A HN 0.668 nan 8.150 nan 0.000 0.504 151 N N 1.448 119.910 118.700 -0.397 0.000 2.205 151 N HA 0.196 4.932 4.740 -0.007 0.000 0.201 151 N C -0.359 175.041 175.510 -0.184 0.000 1.128 151 N CA 0.109 53.028 53.050 -0.219 0.000 0.867 151 N CB 0.433 38.844 38.487 -0.126 0.000 0.996 151 N HN 0.439 nan 8.380 nan 0.000 0.503 152 M N 0.586 120.030 119.600 -0.259 0.000 2.465 152 M HA 0.439 4.915 4.480 -0.007 0.000 0.284 152 M C -1.501 174.665 176.300 -0.225 0.000 1.212 152 M CA -0.466 54.697 55.300 -0.229 0.000 0.910 152 M CB 2.519 34.973 32.600 -0.244 0.000 1.725 152 M HN -0.107 nan 8.290 nan 0.000 0.477 153 I N 2.385 122.813 120.570 -0.236 0.000 2.474 153 I HA 0.546 4.711 4.170 -0.007 0.000 0.294 153 I C -0.979 175.041 176.117 -0.162 0.000 1.005 153 I CA -0.852 60.324 61.300 -0.207 0.000 1.113 153 I CB 2.498 40.358 38.000 -0.234 0.000 1.289 153 I HN 0.529 nan 8.210 nan 0.000 0.436 154 L N 5.601 126.707 121.223 -0.195 0.000 2.345 154 L HA 0.485 4.821 4.340 -0.007 0.000 0.274 154 L C -1.343 175.408 176.870 -0.198 0.000 0.999 154 L CA -0.209 54.540 54.840 -0.153 0.000 0.849 154 L CB 1.052 43.044 42.059 -0.111 0.000 1.220 154 L HN 0.522 nan 8.230 nan 0.000 0.422 155 D N 2.212 122.554 120.400 -0.097 0.000 2.350 155 D HA 0.375 5.010 4.640 -0.007 0.000 0.238 155 D C -1.496 174.788 176.300 -0.027 0.000 0.989 155 D CA -0.150 53.803 54.000 -0.078 0.000 0.921 155 D CB 2.355 43.145 40.800 -0.017 0.000 1.297 155 D HN 0.325 nan 8.370 nan 0.000 0.490 156 D N 0.491 120.868 120.400 -0.038 0.000 2.358 156 D HA 0.447 5.083 4.640 -0.007 0.000 0.253 156 D C 0.607 176.887 176.300 -0.035 0.000 1.288 156 D CA -0.025 53.954 54.000 -0.035 0.000 0.950 156 D CB 0.448 41.190 40.800 -0.098 0.000 1.197 156 D HN 0.597 nan 8.370 nan 0.000 0.550 157 G N 2.094 110.900 108.800 0.011 0.000 2.176 157 G HA2 -0.100 3.856 3.960 -0.007 0.000 0.232 157 G HA3 -0.100 3.856 3.960 -0.007 0.000 0.232 157 G C 1.007 176.020 174.900 0.189 0.000 0.986 157 G CA 0.335 45.463 45.100 0.047 0.000 0.643 157 G HN 1.507 nan 8.290 nan 0.000 0.522 158 G N -0.625 108.268 108.800 0.154 0.000 2.160 158 G HA2 -0.220 3.736 3.960 -0.007 0.000 0.244 158 G HA3 -0.220 3.736 3.960 -0.007 0.000 0.244 158 G C 0.613 175.667 174.900 0.256 0.000 1.022 158 G CA 1.080 46.300 45.100 0.199 0.000 0.741 158 G HN 0.603 nan 8.290 nan 0.000 0.508 159 D N 0.106 120.666 120.400 0.268 0.000 2.137 159 D HA 0.194 4.830 4.640 -0.007 0.000 0.202 159 D C 2.685 179.194 176.300 0.349 0.000 0.970 159 D CA 1.537 55.769 54.000 0.386 0.000 0.837 159 D CB -0.455 40.568 40.800 0.372 0.000 0.981 159 D HN 0.619 nan 8.370 nan 0.000 0.475 160 A N 0.199 123.130 122.820 0.184 0.000 1.877 160 A HA -0.162 4.154 4.320 -0.007 0.000 0.216 160 A C 2.326 179.982 177.584 0.119 0.000 1.186 160 A CA 2.145 54.250 52.037 0.113 0.000 0.620 160 A CB -1.006 17.992 19.000 -0.003 0.000 0.822 160 A HN 0.211 nan 8.150 nan 0.000 0.443 161 T N -0.282 114.358 114.554 0.144 0.000 2.759 161 T HA -0.181 4.165 4.350 -0.007 0.000 0.269 161 T C 1.917 176.695 174.700 0.130 0.000 1.042 161 T CA 1.655 63.862 62.100 0.180 0.000 1.140 161 T CB -0.281 68.725 68.868 0.230 0.000 0.864 161 T HN 0.482 nan 8.240 nan 0.000 0.455 162 M N 0.282 120.006 119.600 0.207 0.000 2.175 162 M HA -0.025 4.451 4.480 -0.007 0.000 0.264 162 M C 2.143 178.532 176.300 0.148 0.000 1.063 162 M CA 1.318 56.756 55.300 0.229 0.000 1.119 162 M CB -0.209 32.526 32.600 0.224 0.000 1.377 162 M HN 0.213 nan 8.290 nan 0.000 0.415 163 L N 0.068 121.357 121.223 0.109 0.000 2.017 163 L HA -0.157 4.179 4.340 -0.007 0.000 0.208 163 L C 2.137 178.713 176.870 -0.491 0.000 1.073 163 L CA 1.529 56.257 54.840 -0.186 0.000 0.745 163 L CB -0.623 41.275 42.059 -0.268 0.000 0.894 163 L HN 0.118 nan 8.230 nan 0.000 0.432 164 V N -0.451 119.335 119.914 -0.214 0.000 2.295 164 V HA -0.312 3.804 4.120 -0.007 0.000 0.246 164 V C 2.429 178.470 176.094 -0.088 0.000 1.049 164 V CA 2.148 64.421 62.300 -0.044 0.000 1.024 164 V CB -0.543 31.385 31.823 0.175 0.000 0.648 164 V HN 0.411 nan 8.190 nan 0.000 0.447 165 L N -1.019 120.094 121.223 -0.183 0.000 2.068 165 L HA -0.037 4.298 4.340 -0.007 0.000 0.204 165 L C 2.872 179.563 176.870 -0.298 0.000 1.076 165 L CA 1.096 55.728 54.840 -0.346 0.000 0.753 165 L CB -0.660 40.908 42.059 -0.818 0.000 0.910 165 L HN 0.191 nan 8.230 nan 0.000 0.439 166 R N 0.616 120.985 120.500 -0.218 0.000 2.081 166 R HA -0.073 4.263 4.340 -0.007 0.000 0.235 166 R C 2.270 178.268 176.300 -0.503 0.000 1.131 166 R CA 1.343 57.244 56.100 -0.333 0.000 0.960 166 R CB -1.356 28.969 30.300 0.041 0.000 0.856 166 R HN 0.401 nan 8.270 nan 0.000 0.436 167 G N 1.674 110.220 108.800 -0.422 0.000 2.586 167 G HA2 -0.381 3.575 3.960 -0.007 0.000 0.218 167 G HA3 -0.381 3.575 3.960 -0.007 0.000 0.218 167 G C 1.552 176.423 174.900 -0.047 0.000 1.216 167 G CA 1.332 46.171 45.100 -0.434 0.000 0.786 167 G HN 0.325 nan 8.290 nan 0.000 0.583 168 M N 0.093 119.688 119.600 -0.009 0.000 2.110 168 M HA -0.222 4.254 4.480 -0.007 0.000 0.257 168 M C 2.688 178.943 176.300 -0.076 0.000 1.071 168 M CA 2.743 58.058 55.300 0.025 0.000 1.096 168 M CB -0.400 32.197 32.600 -0.005 0.000 1.300 168 M HN 0.430 nan 8.290 nan 0.000 0.411 169 Q N -0.933 118.734 119.800 -0.221 0.000 2.217 169 Q HA -0.247 4.089 4.340 -0.007 0.000 0.209 169 Q C 1.424 177.286 176.000 -0.231 0.000 0.988 169 Q CA 2.177 57.816 55.803 -0.273 0.000 0.878 169 Q CB -0.261 28.231 28.738 -0.409 0.000 0.909 169 Q HN 0.753 nan 8.270 nan 0.000 0.424 170 Y N 0.264 120.504 120.300 -0.099 0.000 2.490 170 Y HA 0.082 4.628 4.550 -0.007 0.000 0.285 170 Y C 1.810 177.525 175.900 -0.309 0.000 1.117 170 Y CA 0.586 58.563 58.100 -0.205 0.000 1.262 170 Y CB 0.037 38.338 38.460 -0.264 0.000 1.043 170 Y HN 0.200 nan 8.280 nan 0.000 0.553 171 E N 0.502 120.685 120.200 -0.028 0.000 2.107 171 E HA -0.141 4.205 4.350 -0.007 0.000 0.191 171 E C 1.660 178.299 176.600 0.066 0.000 0.982 171 E CA 0.955 57.383 56.400 0.046 0.000 0.809 171 E CB -0.083 29.740 29.700 0.204 0.000 0.756 171 E HN 0.454 nan 8.360 nan 0.000 0.459 172 K N 0.258 120.676 120.400 0.031 0.000 2.296 172 K HA 0.064 4.379 4.320 -0.007 0.000 0.200 172 K C 1.808 178.424 176.600 0.027 0.000 1.048 172 K CA 0.724 57.031 56.287 0.034 0.000 0.966 172 K CB 0.275 32.783 32.500 0.013 0.000 0.754 172 K HN -0.003 nan 8.250 nan 0.000 0.466 173 A N 0.375 123.202 122.820 0.012 0.000 2.195 173 A HA 0.233 4.548 4.320 -0.007 0.000 0.210 173 A C 1.491 179.077 177.584 0.003 0.000 1.165 173 A CA 0.734 52.782 52.037 0.018 0.000 0.806 173 A CB -0.105 18.920 19.000 0.041 0.000 0.847 173 A HN 0.345 nan 8.150 nan 0.000 0.482 174 G N -1.763 107.013 108.800 -0.039 0.000 2.162 174 G HA2 -0.094 3.862 3.960 -0.007 0.000 0.260 174 G HA3 -0.094 3.862 3.960 -0.007 0.000 0.260 174 G C 0.146 174.958 174.900 -0.148 0.000 0.976 174 G CA 0.502 45.610 45.100 0.014 0.000 0.655 174 G HN 1.568 nan 8.290 nan 0.000 0.533 175 V N 0.054 119.788 119.914 -0.301 0.000 2.752 175 V HA 0.576 4.691 4.120 -0.007 0.000 0.302 175 V C -0.204 175.675 176.094 -0.358 0.000 1.133 175 V CA -0.616 61.517 62.300 -0.279 0.000 0.919 175 V CB 2.182 33.953 31.823 -0.087 0.000 1.026 175 V HN 0.543 nan 8.190 nan 0.000 0.429 176 V N 9.785 129.432 119.914 -0.444 0.000 2.427 176 V HA 0.368 4.484 4.120 -0.007 0.000 0.268 176 V C -1.791 174.031 176.094 -0.452 0.000 1.046 176 V CA -1.076 60.868 62.300 -0.593 0.000 0.970 176 V CB 1.345 32.875 31.823 -0.489 0.000 1.001 176 V HN 0.831 nan 8.190 nan 0.000 0.476 177 P HA 0.268 nan 4.420 nan 0.000 0.275 177 P C -2.577 174.607 177.300 -0.193 0.000 1.227 177 P CA -1.607 61.338 63.100 -0.259 0.000 0.781 177 P CB 0.152 31.743 31.700 -0.183 0.000 0.906 178 P HA 0.094 nan 4.420 nan 0.000 0.267 178 P C -0.241 177.043 177.300 -0.027 0.000 1.205 178 P CA 0.020 63.080 63.100 -0.066 0.000 0.765 178 P CB 0.321 32.001 31.700 -0.033 0.000 0.828 179 A N 3.806 126.612 122.820 -0.025 0.000 2.477 179 A HA 0.104 4.420 4.320 -0.007 0.000 0.246 179 A C 0.805 178.429 177.584 0.067 0.000 1.078 179 A CA -0.247 51.820 52.037 0.049 0.000 0.770 179 A CB -0.141 18.876 19.000 0.028 0.000 1.011 179 A HN 0.531 nan 8.150 nan 0.000 0.494 180 E N 0.527 120.790 120.200 0.105 0.000 2.435 180 E HA -0.039 4.307 4.350 -0.007 0.000 0.256 180 E C 0.912 177.548 176.600 0.060 0.000 1.245 180 E CA 0.009 56.451 56.400 0.070 0.000 0.989 180 E CB 0.443 30.182 29.700 0.064 0.000 0.983 180 E HN 0.854 nan 8.360 nan 0.000 0.480 181 E N 0.215 120.440 120.200 0.041 0.000 2.158 181 E HA -0.140 4.205 4.350 -0.007 0.000 0.191 181 E C -0.293 176.330 176.600 0.039 0.000 0.982 181 E CA 0.717 57.139 56.400 0.036 0.000 0.823 181 E CB 0.299 30.014 29.700 0.025 0.000 0.766 181 E HN 0.266 nan 8.360 nan 0.000 0.468 182 D N 1.082 121.503 120.400 0.035 0.000 2.643 182 D HA 0.144 4.780 4.640 -0.007 0.000 0.244 182 D C -0.833 175.484 176.300 0.029 0.000 1.257 182 D CA -0.019 53.997 54.000 0.027 0.000 0.831 182 D CB 0.210 41.016 40.800 0.011 0.000 1.043 182 D HN -0.003 nan 8.370 nan 0.000 0.488 183 D N 1.644 122.082 120.400 0.063 0.000 2.168 183 D HA 0.216 4.852 4.640 -0.007 0.000 0.246 183 D C -2.128 174.237 176.300 0.108 0.000 1.050 183 D CA -1.650 52.401 54.000 0.085 0.000 0.857 183 D CB 1.880 42.799 40.800 0.198 0.000 1.169 183 D HN -0.102 nan 8.370 nan 0.000 0.453 184 P HA -0.078 nan 4.420 nan 0.000 0.261 184 P C 0.288 177.684 177.300 0.161 0.000 1.158 184 P CA 0.041 63.197 63.100 0.094 0.000 0.758 184 P CB 0.520 32.255 31.700 0.057 0.000 0.763 185 A N 3.405 126.301 122.820 0.127 0.000 2.024 185 A HA -0.237 4.079 4.320 -0.007 0.000 0.220 185 A C 2.189 179.882 177.584 0.181 0.000 1.164 185 A CA 1.905 54.024 52.037 0.136 0.000 0.643 185 A CB -0.933 18.132 19.000 0.109 0.000 0.806 185 A HN 0.681 nan 8.150 nan 0.000 0.451 186 E N -1.223 119.103 120.200 0.208 0.000 2.106 186 E HA -0.193 4.152 4.350 -0.007 0.000 0.192 186 E C 1.866 178.678 176.600 0.353 0.000 0.984 186 E CA 0.857 57.438 56.400 0.303 0.000 0.806 186 E CB -0.278 29.593 29.700 0.285 0.000 0.750 186 E HN 0.827 nan 8.360 nan 0.000 0.458 187 W N 1.531 122.881 121.300 0.083 0.000 2.358 187 W HA -0.190 4.466 4.660 -0.007 0.000 0.303 187 W C 1.745 178.318 176.519 0.091 0.000 1.208 187 W CA 1.291 58.674 57.345 0.062 0.000 1.274 187 W CB 0.056 29.520 29.460 0.007 0.000 1.138 187 W HN 0.038 nan 8.180 nan 0.000 0.515 188 K N -0.243 120.242 120.400 0.141 0.000 2.097 188 K HA -0.178 4.137 4.320 -0.007 0.000 0.206 188 K C 1.713 178.299 176.600 -0.023 0.000 1.049 188 K CA 1.575 57.876 56.287 0.022 0.000 0.933 188 K CB -0.515 32.029 32.500 0.073 0.000 0.717 188 K HN 0.021 nan 8.250 nan 0.000 0.442 189 V N 0.681 120.636 119.914 0.068 0.000 2.548 189 V HA -0.188 3.928 4.120 -0.007 0.000 0.249 189 V C 1.804 177.882 176.094 -0.027 0.000 1.055 189 V CA 1.302 63.663 62.300 0.102 0.000 1.065 189 V CB -0.394 31.595 31.823 0.276 0.000 0.681 189 V HN 0.223 nan 8.190 nan 0.000 0.462 190 F N 0.557 120.278 119.950 -0.382 0.000 2.084 190 F HA -0.144 4.379 4.527 -0.007 0.000 0.296 190 F C 2.014 177.398 175.800 -0.693 0.000 1.111 190 F CA 1.709 59.197 58.000 -0.854 0.000 1.224 190 F CB -0.270 38.121 39.000 -1.016 0.000 0.991 190 F HN 0.022 nan 8.300 nan 0.000 0.471 191 L N 0.288 121.105 121.223 -0.676 0.000 1.994 191 L HA -0.287 4.049 4.340 -0.007 0.000 0.208 191 L C 2.250 178.861 176.870 -0.432 0.000 1.071 191 L CA 1.476 55.924 54.840 -0.653 0.000 0.745 191 L CB -1.069 40.646 42.059 -0.573 0.000 0.892 191 L HN 0.153 nan 8.230 nan 0.000 0.431 192 N N 0.275 118.808 118.700 -0.278 0.000 2.247 192 N HA -0.227 4.509 4.740 -0.007 0.000 0.189 192 N C 1.791 177.222 175.510 -0.133 0.000 1.009 192 N CA 1.334 54.292 53.050 -0.154 0.000 0.872 192 N CB -0.295 38.149 38.487 -0.071 0.000 0.980 192 N HN 0.345 nan 8.380 nan 0.000 0.436 193 L N 0.236 121.334 121.223 -0.209 0.000 2.095 193 L HA 0.056 4.392 4.340 -0.007 0.000 0.204 193 L C 1.830 178.629 176.870 -0.118 0.000 1.080 193 L CA 0.832 55.592 54.840 -0.133 0.000 0.759 193 L CB -0.081 41.879 42.059 -0.165 0.000 0.914 193 L HN 0.019 nan 8.230 nan 0.000 0.439 194 L N -0.467 120.588 121.223 -0.281 0.000 2.478 194 L HA -0.046 4.290 4.340 -0.007 0.000 0.223 194 L C 2.577 179.437 176.870 -0.017 0.000 1.140 194 L CA 0.569 55.321 54.840 -0.146 0.000 0.842 194 L CB -0.396 41.424 42.059 -0.399 0.000 0.953 194 L HN 0.290 nan 8.230 nan 0.000 0.452 195 R N -0.657 119.799 120.500 -0.073 0.000 2.156 195 R HA -0.024 4.312 4.340 -0.007 0.000 0.207 195 R C 2.105 178.441 176.300 0.061 0.000 1.040 195 R CA 0.938 57.035 56.100 -0.005 0.000 1.013 195 R CB 0.132 30.382 30.300 -0.085 0.000 0.931 195 R HN 0.129 nan 8.270 nan 0.000 0.465 196 T N 0.589 115.160 114.554 0.028 0.000 2.821 196 T HA -0.107 4.239 4.350 -0.007 0.000 0.267 196 T C 1.650 176.378 174.700 0.047 0.000 1.046 196 T CA 1.296 63.417 62.100 0.035 0.000 1.139 196 T CB -0.107 68.780 68.868 0.031 0.000 0.871 196 T HN 0.126 nan 8.240 nan 0.000 0.454 197 R N 0.715 121.262 120.500 0.078 0.000 2.075 197 R HA 0.136 4.471 4.340 -0.007 0.000 0.226 197 R C 1.840 178.186 176.300 0.078 0.000 1.114 197 R CA 1.009 57.150 56.100 0.068 0.000 0.972 197 R CB -1.072 29.296 30.300 0.113 0.000 0.869 197 R HN 0.378 nan 8.270 nan 0.000 0.437 198 F N 1.773 121.730 119.950 0.012 0.000 2.408 198 F HA -0.057 4.466 4.527 -0.007 0.000 0.300 198 F C 1.403 177.196 175.800 -0.012 0.000 1.090 198 F CA 1.435 59.439 58.000 0.008 0.000 1.427 198 F CB 0.051 39.069 39.000 0.030 0.000 1.070 198 F HN 0.173 nan 8.300 nan 0.000 0.549 199 E N -0.555 119.605 120.200 -0.066 0.000 2.031 199 E HA -0.214 4.132 4.350 -0.007 0.000 0.193 199 E C 1.992 178.480 176.600 -0.187 0.000 0.994 199 E CA 2.054 58.369 56.400 -0.141 0.000 0.800 199 E CB -0.425 29.248 29.700 -0.045 0.000 0.752 199 E HN 0.469 nan 8.360 nan 0.000 0.447 200 T N -2.081 112.396 114.554 -0.127 0.000 3.086 200 T HA 0.067 4.413 4.350 -0.007 0.000 0.250 200 T C 0.021 174.638 174.700 -0.137 0.000 1.074 200 T CA -0.113 61.917 62.100 -0.116 0.000 0.988 200 T CB 0.448 69.272 68.868 -0.073 0.000 0.988 200 T HN -0.122 nan 8.240 nan 0.000 0.530 201 D N 0.109 120.406 120.400 -0.171 0.000 2.738 201 D HA 0.269 4.905 4.640 -0.007 0.000 0.218 201 D C 0.157 176.353 176.300 -0.173 0.000 1.345 201 D CA -0.509 53.392 54.000 -0.166 0.000 0.943 201 D CB 1.739 42.438 40.800 -0.169 0.000 1.514 201 D HN -0.206 nan 8.370 nan 0.000 0.585 202 K N 1.578 121.874 120.400 -0.173 0.000 2.393 202 K HA 0.101 4.417 4.320 -0.007 0.000 0.193 202 K C 0.261 176.909 176.600 0.081 0.000 1.026 202 K CA 0.398 56.602 56.287 -0.139 0.000 1.064 202 K CB 0.736 33.113 32.500 -0.205 0.000 0.833 202 K HN 0.468 nan 8.250 nan 0.000 0.521 203 D N -0.765 119.642 120.400 0.011 0.000 2.692 203 D HA 0.034 4.670 4.640 -0.007 0.000 0.290 203 D C 0.998 177.270 176.300 -0.047 0.000 1.455 203 D CA -0.325 53.693 54.000 0.029 0.000 0.796 203 D CB 0.244 41.057 40.800 0.022 0.000 1.131 203 D HN -0.168 nan 8.370 nan 0.000 0.467 204 K N 0.248 120.550 120.400 -0.164 0.000 1.987 204 K HA -0.179 4.137 4.320 -0.007 0.000 0.216 204 K C 0.945 177.355 176.600 -0.317 0.000 1.051 204 K CA 1.940 57.990 56.287 -0.395 0.000 0.942 204 K CB -0.153 31.870 32.500 -0.795 0.000 0.722 204 K HN 0.281 nan 8.250 nan 0.000 0.444 205 W N 0.620 121.933 121.300 0.021 0.000 2.418 205 W HA -0.070 4.586 4.660 -0.007 0.000 0.292 205 W C 2.361 178.889 176.519 0.016 0.000 1.213 205 W CA 0.961 58.312 57.345 0.010 0.000 1.283 205 W CB -0.557 28.898 29.460 -0.008 0.000 1.119 205 W HN 0.145 nan 8.180 nan 0.000 0.542 206 T N 0.481 115.157 114.554 0.204 0.000 2.759 206 T HA -0.197 4.148 4.350 -0.007 0.000 0.269 206 T C 1.715 176.466 174.700 0.085 0.000 1.042 206 T CA 1.198 63.370 62.100 0.120 0.000 1.140 206 T CB -0.232 68.688 68.868 0.087 0.000 0.864 206 T HN -0.043 nan 8.240 nan 0.000 0.455 207 K N 0.808 121.238 120.400 0.051 0.000 2.097 207 K HA 0.162 4.478 4.320 -0.007 0.000 0.205 207 K C 2.234 178.856 176.600 0.036 0.000 1.050 207 K CA 0.772 57.072 56.287 0.022 0.000 0.938 207 K CB -0.509 31.979 32.500 -0.021 0.000 0.718 207 K HN 0.400 nan 8.250 nan 0.000 0.442 208 I N 0.860 121.468 120.570 0.064 0.000 2.202 208 I HA -0.235 3.931 4.170 -0.007 0.000 0.242 208 I C 2.328 178.516 176.117 0.118 0.000 1.091 208 I CA 1.127 62.478 61.300 0.086 0.000 1.368 208 I CB -0.302 37.792 38.000 0.157 0.000 1.058 208 I HN 0.018 nan 8.210 nan 0.000 0.410 209 A N 0.111 123.046 122.820 0.191 0.000 1.972 209 A HA -0.266 4.050 4.320 -0.007 0.000 0.219 209 A C 2.295 180.017 177.584 0.230 0.000 1.169 209 A CA 1.899 54.110 52.037 0.289 0.000 0.635 209 A CB -0.647 18.491 19.000 0.231 0.000 0.810 209 A HN 0.549 nan 8.150 nan 0.000 0.446 210 E N -0.551 119.725 120.200 0.128 0.000 2.106 210 E HA -0.160 4.186 4.350 -0.007 0.000 0.192 210 E C 2.053 178.698 176.600 0.075 0.000 0.984 210 E CA 1.368 57.822 56.400 0.090 0.000 0.806 210 E CB -0.164 29.569 29.700 0.054 0.000 0.750 210 E HN 0.527 nan 8.360 nan 0.000 0.458 211 S N -0.411 115.317 115.700 0.047 0.000 2.458 211 S HA 0.042 4.508 4.470 -0.007 0.000 0.223 211 S C 0.572 175.158 174.600 -0.024 0.000 1.019 211 S CA -0.026 58.175 58.200 0.002 0.000 0.937 211 S CB 0.248 63.427 63.200 -0.034 0.000 0.788 211 S HN 0.107 nan 8.310 nan 0.000 0.511 212 V N 3.147 123.029 119.914 -0.053 0.000 2.450 212 V HA 0.106 4.222 4.120 -0.007 0.000 0.281 212 V C 0.976 177.006 176.094 -0.107 0.000 1.019 212 V CA 0.559 62.736 62.300 -0.205 0.000 1.062 212 V CB 0.854 32.349 31.823 -0.547 0.000 0.979 212 V HN 0.383 nan 8.190 nan 0.000 0.477 213 K N 3.072 123.440 120.400 -0.053 0.000 2.356 213 K HA 0.335 4.650 4.320 -0.007 0.000 0.195 213 K C 0.738 177.361 176.600 0.038 0.000 1.037 213 K CA 0.584 56.904 56.287 0.054 0.000 1.014 213 K CB 0.648 33.236 32.500 0.147 0.000 0.815 213 K HN 0.882 nan 8.250 nan 0.000 0.507 214 G N -0.016 108.730 108.800 -0.090 0.000 2.556 214 G HA2 0.313 4.269 3.960 -0.007 0.000 0.294 214 G HA3 0.313 4.269 3.960 -0.007 0.000 0.294 214 G C -2.179 172.606 174.900 -0.192 0.000 1.516 214 G CA -0.620 44.438 45.100 -0.070 0.000 0.824 214 G HN -0.081 nan 8.290 nan 0.000 0.535 215 V N 0.666 120.539 119.914 -0.068 0.000 2.628 215 V HA 0.897 5.013 4.120 -0.007 0.000 0.306 215 V C 0.031 176.128 176.094 0.005 0.000 1.045 215 V CA 0.061 62.330 62.300 -0.052 0.000 0.905 215 V CB 2.092 33.944 31.823 0.049 0.000 0.997 215 V HN 1.397 nan 8.190 nan 0.000 0.436 216 T N 2.498 117.045 114.554 -0.012 0.000 2.786 216 T HA 0.664 5.010 4.350 -0.007 0.000 0.283 216 T C -0.671 174.045 174.700 0.027 0.000 0.992 216 T CA -0.565 61.543 62.100 0.014 0.000 0.954 216 T CB 1.484 70.357 68.868 0.009 0.000 0.934 216 T HN 0.748 nan 8.240 nan 0.000 0.440 217 E N 1.560 121.785 120.200 0.041 0.000 2.166 217 E HA 0.339 4.685 4.350 -0.007 0.000 0.275 217 E C 0.631 177.256 176.600 0.043 0.000 0.941 217 E CA -0.717 55.706 56.400 0.038 0.000 0.784 217 E CB 1.830 31.549 29.700 0.032 0.000 1.115 217 E HN 0.810 nan 8.360 nan 0.000 0.399 218 E N 2.499 122.731 120.200 0.054 0.000 2.276 218 E HA 0.091 4.437 4.350 -0.007 0.000 0.193 218 E C -0.154 176.480 176.600 0.057 0.000 0.983 218 E CA 0.465 56.915 56.400 0.083 0.000 0.861 218 E CB 0.450 30.229 29.700 0.132 0.000 0.817 218 E HN 0.364 nan 8.360 nan 0.000 0.485 219 T N -1.188 113.383 114.554 0.028 0.000 2.906 219 T HA 0.262 4.607 4.350 -0.007 0.000 0.295 219 T C 0.618 175.305 174.700 -0.022 0.000 1.061 219 T CA -0.089 62.016 62.100 0.010 0.000 1.000 219 T CB 1.587 70.460 68.868 0.009 0.000 1.103 219 T HN 0.064 nan 8.240 nan 0.000 0.486 220 T N 1.850 116.385 114.554 -0.032 0.000 2.699 220 T HA -0.127 4.218 4.350 -0.007 0.000 0.268 220 T C 1.993 176.650 174.700 -0.071 0.000 1.036 220 T CA 2.041 64.108 62.100 -0.056 0.000 1.147 220 T CB -0.483 68.355 68.868 -0.050 0.000 0.862 220 T HN 0.662 nan 8.240 nan 0.000 0.446 221 T N 1.230 115.748 114.554 -0.060 0.000 2.777 221 T HA 0.018 4.364 4.350 -0.007 0.000 0.266 221 T C 2.365 177.075 174.700 0.017 0.000 1.040 221 T CA 1.228 63.310 62.100 -0.029 0.000 1.141 221 T CB -0.947 67.918 68.868 -0.005 0.000 0.868 221 T HN 0.554 nan 8.240 nan 0.000 0.444 222 G N 1.116 109.927 108.800 0.018 0.000 2.469 222 G HA2 -0.213 3.743 3.960 -0.007 0.000 0.219 222 G HA3 -0.213 3.743 3.960 -0.007 0.000 0.219 222 G C 1.664 176.551 174.900 -0.021 0.000 1.150 222 G CA 1.125 46.248 45.100 0.039 0.000 0.763 222 G HN 0.455 nan 8.290 nan 0.000 0.561 223 V N 0.546 120.394 119.914 -0.110 0.000 2.453 223 V HA -0.076 4.040 4.120 -0.007 0.000 0.247 223 V C 2.646 178.477 176.094 -0.438 0.000 1.048 223 V CA 1.413 63.535 62.300 -0.296 0.000 1.049 223 V CB -0.327 31.281 31.823 -0.357 0.000 0.672 223 V HN 0.352 nan 8.190 nan 0.000 0.457 224 L N 0.391 121.477 121.223 -0.228 0.000 2.012 224 L HA -0.199 4.137 4.340 -0.007 0.000 0.210 224 L C 2.627 179.462 176.870 -0.058 0.000 1.073 224 L CA 2.032 56.814 54.840 -0.096 0.000 0.748 224 L CB -0.508 41.528 42.059 -0.039 0.000 0.891 224 L HN 0.189 nan 8.230 nan 0.000 0.431 225 R N -0.897 119.567 120.500 -0.059 0.000 2.075 225 R HA -0.095 4.241 4.340 -0.007 0.000 0.232 225 R C 2.308 178.586 176.300 -0.036 0.000 1.126 225 R CA 1.559 57.606 56.100 -0.088 0.000 0.963 225 R CB -0.552 29.743 30.300 -0.009 0.000 0.858 225 R HN 0.380 nan 8.270 nan 0.000 0.435 226 L N -0.214 121.031 121.223 0.038 0.000 2.081 226 L HA -0.239 4.097 4.340 -0.007 0.000 0.212 226 L C 2.152 179.114 176.870 0.153 0.000 1.080 226 L CA 1.285 56.193 54.840 0.113 0.000 0.754 226 L CB -0.461 41.603 42.059 0.008 0.000 0.893 226 L HN 0.231 nan 8.230 nan 0.000 0.433 227 Y N 0.232 120.546 120.300 0.023 0.000 2.314 227 Y HA -0.185 4.361 4.550 -0.005 0.000 0.293 227 Y C 2.666 178.549 175.900 -0.028 0.000 1.129 227 Y CA 0.732 58.829 58.100 -0.005 0.000 1.201 227 Y CB -0.552 37.896 38.460 -0.020 0.000 0.999 227 Y HN 0.312 nan 8.280 nan 0.000 0.541 228 Q N -1.747 118.099 119.800 0.078 0.000 2.163 228 Q HA -0.082 4.254 4.340 -0.007 0.000 0.198 228 Q C 1.924 177.879 176.000 -0.075 0.000 0.954 228 Q CA 0.867 56.632 55.803 -0.063 0.000 0.851 228 Q CB -0.267 28.356 28.738 -0.192 0.000 0.928 228 Q HN 0.296 nan 8.270 nan 0.000 0.459 229 F N 1.031 120.989 119.950 0.013 0.000 2.126 229 F HA -0.196 4.327 4.527 -0.007 0.000 0.299 229 F C 2.371 178.158 175.800 -0.023 0.000 1.096 229 F CA 1.168 59.155 58.000 -0.022 0.000 1.255 229 F CB -0.870 38.103 39.000 -0.045 0.000 0.997 229 F HN 0.068 nan 8.300 nan 0.000 0.479 230 A N -0.055 122.877 122.820 0.187 0.000 1.877 230 A HA -0.062 4.254 4.320 -0.007 0.000 0.216 230 A C 2.415 180.031 177.584 0.054 0.000 1.186 230 A CA 1.863 53.961 52.037 0.101 0.000 0.620 230 A CB -1.375 17.687 19.000 0.105 0.000 0.822 230 A HN 0.292 nan 8.150 nan 0.000 0.443 231 A N -0.466 122.378 122.820 0.041 0.000 2.070 231 A HA 0.219 4.535 4.320 -0.007 0.000 0.220 231 A C 2.246 179.838 177.584 0.013 0.000 1.159 231 A CA 1.754 53.796 52.037 0.008 0.000 0.656 231 A CB -0.703 18.290 19.000 -0.013 0.000 0.800 231 A HN 1.075 nan 8.150 nan 0.000 0.453 232 A N -1.389 121.453 122.820 0.037 0.000 2.206 232 A HA 0.392 4.708 4.320 -0.007 0.000 0.211 232 A C 1.812 179.418 177.584 0.036 0.000 1.158 232 A CA 1.121 53.182 52.037 0.041 0.000 0.761 232 A CB -1.028 18.019 19.000 0.079 0.000 0.801 232 A HN 1.829 nan 8.150 nan 0.000 0.473 233 G N -0.267 108.553 108.800 0.032 0.000 2.305 233 G HA2 -0.253 3.703 3.960 -0.007 0.000 0.287 233 G HA3 -0.253 3.703 3.960 -0.007 0.000 0.287 233 G C 0.038 174.939 174.900 0.002 0.000 1.036 233 G CA 0.653 45.761 45.100 0.014 0.000 0.887 233 G HN 0.441 nan 8.290 nan 0.000 0.505 234 D N -1.121 119.291 120.400 0.019 0.000 2.469 234 D HA 0.174 4.810 4.640 -0.007 0.000 0.215 234 D C 0.877 177.078 176.300 -0.166 0.000 1.154 234 D CA -0.393 53.585 54.000 -0.037 0.000 0.832 234 D CB 0.426 41.259 40.800 0.055 0.000 1.008 234 D HN 0.386 nan 8.370 nan 0.000 0.506 235 L N 1.172 122.325 121.223 -0.117 0.000 2.385 235 L HA 0.383 4.719 4.340 -0.007 0.000 0.281 235 L C 1.091 177.771 176.870 -0.317 0.000 1.106 235 L CA -0.080 54.615 54.840 -0.242 0.000 0.856 235 L CB 0.748 42.765 42.059 -0.071 0.000 1.186 235 L HN -0.047 nan 8.230 nan 0.000 0.453 236 A N 5.477 127.923 122.820 -0.623 0.000 2.081 236 A HA 0.249 4.565 4.320 -0.007 0.000 0.214 236 A C 0.158 177.567 177.584 -0.291 0.000 1.158 236 A CA 0.502 52.255 52.037 -0.474 0.000 0.724 236 A CB -0.374 18.317 19.000 -0.515 0.000 0.826 236 A HN 0.647 nan 8.150 nan 0.000 0.463 237 F N -3.538 116.419 119.950 0.011 0.000 2.599 237 F HA 0.686 5.209 4.527 -0.007 0.000 0.311 237 F C -3.243 172.598 175.800 0.068 0.000 1.076 237 F CA -4.072 53.949 58.000 0.035 0.000 0.937 237 F CB 0.086 39.096 39.000 0.017 0.000 1.282 237 F HN -0.307 nan 8.300 nan 0.000 0.460 238 P HA 0.245 nan 4.420 nan 0.000 0.264 238 P C -0.964 176.493 177.300 0.262 0.000 1.179 238 P CA 0.322 63.592 63.100 0.282 0.000 0.763 238 P CB 0.496 32.294 31.700 0.165 0.000 0.806 239 A N 3.828 126.813 122.820 0.276 0.000 2.359 239 A HA 0.595 4.911 4.320 -0.007 0.000 0.303 239 A C -0.621 177.085 177.584 0.202 0.000 1.066 239 A CA -0.656 51.506 52.037 0.208 0.000 0.730 239 A CB 0.741 19.861 19.000 0.199 0.000 1.211 239 A HN 0.422 nan 8.150 nan 0.000 0.439 240 I N 2.620 123.252 120.570 0.103 0.000 2.315 240 I HA 0.154 4.320 4.170 -0.007 0.000 0.291 240 I C 0.141 176.312 176.117 0.090 0.000 1.006 240 I CA -0.692 60.674 61.300 0.109 0.000 1.265 240 I CB 1.401 39.421 38.000 0.033 0.000 1.387 240 I HN 0.695 nan 8.210 nan 0.000 0.475 241 N N 6.745 125.506 118.700 0.102 0.000 2.466 241 N HA 0.047 4.782 4.740 -0.007 0.000 0.263 241 N C 0.621 176.169 175.510 0.063 0.000 1.178 241 N CA 0.108 53.191 53.050 0.055 0.000 0.983 241 N CB 0.910 39.428 38.487 0.051 0.000 1.331 241 N HN 0.421 nan 8.380 nan 0.000 0.500 242 V N 3.289 123.236 119.914 0.055 0.000 2.548 242 V HA -0.164 3.952 4.120 -0.007 0.000 0.249 242 V C 2.148 178.277 176.094 0.057 0.000 1.055 242 V CA 1.233 63.571 62.300 0.064 0.000 1.065 242 V CB -0.848 31.020 31.823 0.076 0.000 0.681 242 V HN 0.633 nan 8.190 nan 0.000 0.462 243 N N 0.857 119.580 118.700 0.040 0.000 2.094 243 N HA -0.204 4.532 4.740 -0.007 0.000 0.191 243 N C 1.234 176.765 175.510 0.034 0.000 1.023 243 N CA 1.735 54.804 53.050 0.031 0.000 0.857 243 N CB -0.134 38.356 38.487 0.004 0.000 1.013 243 N HN 0.388 nan 8.380 nan 0.000 0.426 244 D N -0.320 120.104 120.400 0.041 0.000 2.319 244 D HA 0.099 4.735 4.640 -0.007 0.000 0.230 244 D C -0.277 176.063 176.300 0.067 0.000 1.094 244 D CA 0.138 54.169 54.000 0.052 0.000 0.856 244 D CB -0.037 40.803 40.800 0.068 0.000 0.915 244 D HN 0.143 nan 8.370 nan 0.000 0.517 245 S N -0.205 115.534 115.700 0.065 0.000 2.568 245 S HA 0.027 4.493 4.470 -0.007 0.000 0.282 245 S C 1.928 176.563 174.600 0.058 0.000 1.338 245 S CA -0.601 57.638 58.200 0.065 0.000 1.045 245 S CB 2.036 65.273 63.200 0.061 0.000 0.873 245 S HN -0.060 nan 8.310 nan 0.000 0.516 246 V N 2.535 122.475 119.914 0.044 0.000 2.343 246 V HA -0.180 3.936 4.120 -0.007 0.000 0.247 246 V C 2.573 178.731 176.094 0.107 0.000 1.051 246 V CA 2.254 64.555 62.300 0.001 0.000 1.036 246 V CB -1.334 30.374 31.823 -0.193 0.000 0.654 246 V HN 1.091 nan 8.190 nan 0.000 0.451 247 T N -1.805 112.848 114.554 0.166 0.000 3.085 247 T HA -0.077 4.269 4.350 -0.007 0.000 0.263 247 T C 1.582 176.417 174.700 0.225 0.000 1.127 247 T CA 1.151 63.434 62.100 0.304 0.000 1.103 247 T CB 0.089 68.985 68.868 0.047 0.000 0.921 247 T HN 0.444 nan 8.240 nan 0.000 0.510 248 K N 2.670 123.146 120.400 0.126 0.000 2.054 248 K HA 0.059 4.375 4.320 -0.007 0.000 0.207 248 K C 2.608 179.252 176.600 0.074 0.000 1.031 248 K CA 1.506 57.844 56.287 0.085 0.000 0.952 248 K CB -0.829 31.706 32.500 0.058 0.000 0.775 248 K HN 0.271 nan 8.250 nan 0.000 0.447 249 S N 0.717 116.437 115.700 0.034 0.000 2.372 249 S HA -0.195 4.271 4.470 -0.007 0.000 0.227 249 S C 1.559 176.094 174.600 -0.108 0.000 1.044 249 S CA 1.495 59.681 58.200 -0.024 0.000 1.050 249 S CB -0.507 62.680 63.200 -0.021 0.000 0.901 249 S HN 0.398 nan 8.310 nan 0.000 0.447 250 K N -0.400 119.904 120.400 -0.160 0.000 2.417 250 K HA 0.275 4.590 4.320 -0.007 0.000 0.196 250 K C 0.111 176.296 176.600 -0.692 0.000 1.023 250 K CA 0.149 56.166 56.287 -0.450 0.000 1.122 250 K CB 0.073 32.258 32.500 -0.525 0.000 0.850 250 K HN 0.496 nan 8.250 nan 0.000 0.521 251 F N -0.815 119.111 119.950 -0.040 0.000 2.754 251 F HA 0.028 4.550 4.527 -0.007 0.000 0.316 251 F C 1.840 177.641 175.800 0.001 0.000 0.959 251 F CA -0.185 57.872 58.000 0.094 0.000 1.148 251 F CB 0.255 39.306 39.000 0.085 0.000 0.951 251 F HN -0.078 nan 8.300 nan 0.000 0.625 252 D N 0.634 121.104 120.400 0.117 0.000 2.146 252 D HA -0.097 4.538 4.640 -0.007 0.000 0.209 252 D C 1.505 177.786 176.300 -0.031 0.000 0.973 252 D CA 1.515 55.535 54.000 0.034 0.000 0.860 252 D CB -0.179 40.665 40.800 0.074 0.000 1.015 252 D HN -0.007 nan 8.370 nan 0.000 0.465 253 N N 0.592 119.284 118.700 -0.013 0.000 2.104 253 N HA -0.147 4.589 4.740 -0.007 0.000 0.190 253 N C 1.653 177.091 175.510 -0.120 0.000 1.024 253 N CA 1.230 54.263 53.050 -0.030 0.000 0.853 253 N CB -0.167 38.289 38.487 -0.051 0.000 1.008 253 N HN 0.369 nan 8.380 nan 0.000 0.424 254 K N -0.803 119.465 120.400 -0.219 0.000 2.108 254 K HA 0.019 4.335 4.320 -0.007 0.000 0.204 254 K C 1.323 177.798 176.600 -0.209 0.000 1.036 254 K CA 0.526 56.633 56.287 -0.300 0.000 0.965 254 K CB -0.168 32.015 32.500 -0.528 0.000 0.804 254 K HN 0.014 nan 8.250 nan 0.000 0.454 255 Y N 0.643 120.873 120.300 -0.116 0.000 2.457 255 Y HA 0.155 4.701 4.550 -0.007 0.000 0.292 255 Y C 2.268 178.092 175.900 -0.128 0.000 1.125 255 Y CA 0.857 58.917 58.100 -0.067 0.000 1.254 255 Y CB -0.634 37.840 38.460 0.024 0.000 1.012 255 Y HN 0.285 nan 8.280 nan 0.000 0.555 256 G N -0.686 108.005 108.800 -0.181 0.000 2.404 256 G HA2 -0.205 3.751 3.960 -0.007 0.000 0.215 256 G HA3 -0.205 3.751 3.960 -0.007 0.000 0.215 256 G C 1.683 176.232 174.900 -0.585 0.000 1.174 256 G CA 1.537 46.233 45.100 -0.675 0.000 0.780 256 G HN 0.327 nan 8.290 nan 0.000 0.537 257 T N 0.150 114.485 114.554 -0.365 0.000 2.915 257 T HA -0.040 4.306 4.350 -0.007 0.000 0.269 257 T C 2.234 176.943 174.700 0.015 0.000 1.071 257 T CA 0.985 63.061 62.100 -0.041 0.000 1.132 257 T CB -0.037 68.836 68.868 0.009 0.000 0.878 257 T HN 0.318 nan 8.240 nan 0.000 0.479 258 R N 0.172 120.682 120.500 0.018 0.000 2.120 258 R HA -0.154 4.182 4.340 -0.007 0.000 0.234 258 R C 2.411 178.757 176.300 0.076 0.000 1.123 258 R CA 1.236 57.371 56.100 0.058 0.000 0.975 258 R CB -0.225 30.143 30.300 0.113 0.000 0.866 258 R HN 0.488 nan 8.270 nan 0.000 0.446 259 H N -0.374 118.699 119.070 0.006 0.000 2.329 259 H HA 0.008 4.560 4.556 -0.007 0.000 0.306 259 H C 1.833 177.186 175.328 0.042 0.000 1.062 259 H CA 1.885 57.947 56.048 0.024 0.000 1.364 259 H CB 0.051 29.825 29.762 0.021 0.000 1.409 259 H HN 0.338 nan 8.280 nan 0.000 0.519 260 S N 0.415 116.301 115.700 0.308 0.000 2.501 260 S HA -0.035 4.431 4.470 -0.007 0.000 0.220 260 S C 2.184 176.867 174.600 0.138 0.000 0.997 260 S CA 0.404 58.773 58.200 0.282 0.000 0.919 260 S CB -0.289 63.121 63.200 0.350 0.000 0.778 260 S HN 0.275 nan 8.310 nan 0.000 0.523 261 L N 1.991 123.272 121.223 0.096 0.000 2.017 261 L HA -0.004 4.331 4.340 -0.007 0.000 0.208 261 L C 2.187 179.072 176.870 0.026 0.000 1.073 261 L CA 1.667 56.537 54.840 0.051 0.000 0.745 261 L CB -0.638 41.440 42.059 0.032 0.000 0.894 261 L HN 0.234 nan 8.230 nan 0.000 0.432 262 I N -0.146 120.424 120.570 0.001 0.000 2.151 262 I HA -0.318 3.848 4.170 -0.007 0.000 0.243 262 I C 2.352 178.460 176.117 -0.016 0.000 1.080 262 I CA 1.811 63.097 61.300 -0.024 0.000 1.339 262 I CB -1.451 36.509 38.000 -0.067 0.000 1.039 262 I HN 0.397 nan 8.210 nan 0.000 0.409 263 D N 0.926 121.320 120.400 -0.010 0.000 2.123 263 D HA -0.135 4.501 4.640 -0.007 0.000 0.196 263 D C 2.235 178.555 176.300 0.033 0.000 0.992 263 D CA 1.634 55.647 54.000 0.021 0.000 0.833 263 D CB -0.300 40.550 40.800 0.082 0.000 0.954 263 D HN 0.325 nan 8.370 nan 0.000 0.455 264 G N 0.615 109.438 108.800 0.039 0.000 2.459 264 G HA2 -0.226 3.730 3.960 -0.007 0.000 0.217 264 G HA3 -0.226 3.730 3.960 -0.007 0.000 0.217 264 G C 1.919 176.830 174.900 0.019 0.000 1.183 264 G CA 0.882 45.999 45.100 0.029 0.000 0.776 264 G HN 0.385 nan 8.290 nan 0.000 0.552 265 I N 0.907 121.487 120.570 0.017 0.000 2.315 265 I HA -0.130 4.036 4.170 -0.007 0.000 0.248 265 I C 2.318 178.443 176.117 0.013 0.000 1.117 265 I CA 0.764 62.072 61.300 0.014 0.000 1.404 265 I CB -0.206 37.802 38.000 0.013 0.000 1.071 265 I HN 0.058 nan 8.210 nan 0.000 0.419 266 N N 0.872 119.577 118.700 0.009 0.000 2.300 266 N HA -0.066 4.670 4.740 -0.007 0.000 0.179 266 N C 1.912 177.428 175.510 0.011 0.000 1.016 266 N CA 0.962 54.016 53.050 0.008 0.000 0.876 266 N CB -0.129 38.359 38.487 0.001 0.000 0.979 266 N HN 0.325 nan 8.380 nan 0.000 0.432 267 R N -0.211 120.298 120.500 0.014 0.000 2.100 267 R HA 0.113 4.449 4.340 -0.007 0.000 0.220 267 R C 2.225 178.530 176.300 0.008 0.000 1.091 267 R CA 1.025 57.134 56.100 0.014 0.000 0.986 267 R CB -0.373 29.939 30.300 0.021 0.000 0.888 267 R HN 0.168 nan 8.270 nan 0.000 0.444 268 G N 0.372 109.177 108.800 0.007 0.000 2.404 268 G HA2 -0.198 3.758 3.960 -0.007 0.000 0.215 268 G HA3 -0.198 3.758 3.960 -0.007 0.000 0.215 268 G C 0.738 175.642 174.900 0.008 0.000 1.174 268 G CA 1.263 46.364 45.100 0.003 0.000 0.780 268 G HN 0.441 nan 8.290 nan 0.000 0.537 269 T N -3.027 111.535 114.554 0.015 0.000 2.910 269 T HA 0.550 4.896 4.350 -0.007 0.000 0.287 269 T C -1.078 173.633 174.700 0.019 0.000 1.050 269 T CA -0.714 61.399 62.100 0.022 0.000 1.011 269 T CB 2.354 71.240 68.868 0.030 0.000 1.195 269 T HN -0.164 nan 8.240 nan 0.000 0.540 270 D N 0.920 121.333 120.400 0.022 0.000 3.035 270 D HA 0.493 5.128 4.640 -0.007 0.000 0.290 270 D C -0.095 176.218 176.300 0.020 0.000 1.360 270 D CA -0.261 53.749 54.000 0.018 0.000 0.862 270 D CB 0.123 40.932 40.800 0.014 0.000 1.078 270 D HN 0.817 nan 8.370 nan 0.000 0.487 271 A N 0.847 123.681 122.820 0.024 0.000 2.289 271 A HA 0.416 4.732 4.320 -0.007 0.000 0.298 271 A C 0.126 177.721 177.584 0.019 0.000 1.208 271 A CA -0.615 51.437 52.037 0.026 0.000 0.845 271 A CB 0.473 19.493 19.000 0.034 0.000 1.125 271 A HN 0.333 nan 8.150 nan 0.000 0.517 272 L N 3.131 124.364 121.223 0.017 0.000 2.485 272 L HA 0.170 4.506 4.340 -0.007 0.000 0.275 272 L C 0.744 177.623 176.870 0.016 0.000 1.207 272 L CA 0.640 55.489 54.840 0.014 0.000 0.855 272 L CB 0.111 42.178 42.059 0.012 0.000 1.114 272 L HN 0.754 nan 8.230 nan 0.000 0.485 273 I N 2.813 123.392 120.570 0.014 0.000 2.729 273 I HA 0.157 4.322 4.170 -0.007 0.000 0.256 273 I C 1.372 177.501 176.117 0.019 0.000 1.115 273 I CA 0.466 61.776 61.300 0.016 0.000 1.446 273 I CB -0.431 37.576 38.000 0.012 0.000 1.176 273 I HN 0.833 nan 8.210 nan 0.000 0.446 274 G N 0.187 108.998 108.800 0.018 0.000 2.353 274 G HA2 0.307 4.263 3.960 -0.007 0.000 0.239 274 G HA3 0.307 4.263 3.960 -0.007 0.000 0.239 274 G C 1.031 175.943 174.900 0.020 0.000 1.295 274 G CA 0.458 45.570 45.100 0.021 0.000 0.884 274 G HN 0.647 nan 8.290 nan 0.000 0.537 275 G N 1.356 110.169 108.800 0.022 0.000 2.268 275 G HA2 -0.251 3.705 3.960 -0.007 0.000 0.240 275 G HA3 -0.251 3.705 3.960 -0.007 0.000 0.240 275 G C 0.708 175.620 174.900 0.020 0.000 1.010 275 G CA 0.635 45.747 45.100 0.019 0.000 0.618 275 G HN 0.779 nan 8.290 nan 0.000 0.516 276 K N 0.649 121.062 120.400 0.022 0.000 2.107 276 K HA 0.451 4.767 4.320 -0.007 0.000 0.251 276 K C 0.094 176.708 176.600 0.022 0.000 1.012 276 K CA -0.580 55.719 56.287 0.021 0.000 0.920 276 K CB 1.108 33.620 32.500 0.021 0.000 1.033 276 K HN 0.260 nan 8.250 nan 0.000 0.478 277 K N 1.712 122.123 120.400 0.019 0.000 2.264 277 K HA 0.222 4.538 4.320 -0.007 0.000 0.277 277 K C -0.985 175.621 176.600 0.010 0.000 1.067 277 K CA -0.385 55.912 56.287 0.017 0.000 0.900 277 K CB 0.596 33.104 32.500 0.014 0.000 1.124 277 K HN 0.228 nan 8.250 nan 0.000 0.469 278 V N 5.287 125.205 119.914 0.006 0.000 2.581 278 V HA 0.429 4.544 4.120 -0.007 0.000 0.303 278 V C -0.697 175.381 176.094 -0.027 0.000 1.041 278 V CA -1.100 61.195 62.300 -0.008 0.000 0.907 278 V CB 1.483 33.300 31.823 -0.010 0.000 0.994 278 V HN 0.611 nan 8.190 nan 0.000 0.442 279 L N 5.747 126.950 121.223 -0.033 0.000 2.349 279 L HA 0.633 4.969 4.340 -0.007 0.000 0.278 279 L C -0.864 175.975 176.870 -0.052 0.000 0.996 279 L CA -0.066 54.746 54.840 -0.047 0.000 0.825 279 L CB 1.362 43.396 42.059 -0.042 0.000 1.243 279 L HN 0.438 nan 8.230 nan 0.000 0.412 280 I N 4.445 124.972 120.570 -0.070 0.000 2.339 280 I HA 0.300 4.465 4.170 -0.007 0.000 0.290 280 I C -0.413 175.681 176.117 -0.038 0.000 0.994 280 I CA -0.375 60.891 61.300 -0.056 0.000 1.191 280 I CB 1.223 39.175 38.000 -0.080 0.000 1.343 280 I HN 0.564 nan 8.210 nan 0.000 0.458 281 C N 4.592 123.878 119.300 -0.023 0.000 2.369 281 C HA 0.781 5.237 4.460 -0.007 0.000 0.358 281 C C 0.879 175.873 174.990 0.007 0.000 1.274 281 C CA -0.281 58.728 59.018 -0.015 0.000 1.935 281 C CB 0.041 27.770 27.740 -0.018 0.000 2.431 281 C HN 1.085 nan 8.230 nan 0.000 0.545 282 G N 1.984 110.799 108.800 0.025 0.000 2.879 282 G HA2 -0.098 3.858 3.960 -0.007 0.000 0.686 282 G HA3 -0.098 3.858 3.960 -0.007 0.000 0.686 282 G C -1.182 173.783 174.900 0.108 0.000 1.115 282 G CA -0.554 44.573 45.100 0.045 0.000 0.770 282 G HN 0.996 nan 8.290 nan 0.000 0.601 283 Y N 2.551 122.823 120.300 -0.047 0.000 2.555 283 Y HA 0.531 5.076 4.550 -0.008 0.000 0.317 283 Y C 1.054 176.929 175.900 -0.042 0.000 0.928 283 Y CA 0.336 58.406 58.100 -0.051 0.000 1.116 283 Y CB 0.122 38.560 38.460 -0.036 0.000 1.169 283 Y HN 0.984 nan 8.280 nan 0.000 0.627 284 G N 0.001 108.722 108.800 -0.132 0.000 2.606 284 G HA2 0.077 4.033 3.960 -0.007 0.000 0.262 284 G HA3 0.077 4.033 3.960 -0.007 0.000 0.262 284 G C 0.471 175.217 174.900 -0.257 0.000 1.394 284 G CA -0.079 44.927 45.100 -0.156 0.000 1.044 284 G HN 0.228 nan 8.290 nan 0.000 0.553 285 D N -0.933 119.345 120.400 -0.203 0.000 2.133 285 D HA -0.161 4.475 4.640 -0.007 0.000 0.192 285 D C 2.648 178.819 176.300 -0.214 0.000 1.001 285 D CA 1.254 55.117 54.000 -0.229 0.000 0.844 285 D CB -0.355 40.339 40.800 -0.176 0.000 0.944 285 D HN 0.048 nan 8.370 nan 0.000 0.447 286 V N 0.867 120.695 119.914 -0.143 0.000 2.323 286 V HA -0.100 4.015 4.120 -0.007 0.000 0.244 286 V C 2.583 178.606 176.094 -0.118 0.000 1.041 286 V CA 1.912 64.153 62.300 -0.099 0.000 1.025 286 V CB -0.902 30.897 31.823 -0.040 0.000 0.656 286 V HN 0.248 nan 8.190 nan 0.000 0.451 287 G N -0.263 108.458 108.800 -0.133 0.000 2.450 287 G HA2 -0.259 3.697 3.960 -0.007 0.000 0.220 287 G HA3 -0.259 3.697 3.960 -0.007 0.000 0.220 287 G C 1.672 176.432 174.900 -0.235 0.000 1.130 287 G CA 0.900 45.926 45.100 -0.123 0.000 0.760 287 G HN 0.473 nan 8.290 nan 0.000 0.557 288 K N 0.007 120.123 120.400 -0.473 0.000 2.062 288 K HA 0.016 4.332 4.320 -0.007 0.000 0.205 288 K C 2.796 179.254 176.600 -0.237 0.000 1.051 288 K CA 0.791 56.725 56.287 -0.589 0.000 0.941 288 K CB -0.353 31.741 32.500 -0.676 0.000 0.719 288 K HN 0.253 nan 8.250 nan 0.000 0.440 289 G N 1.166 109.845 108.800 -0.202 0.000 2.418 289 G HA2 -0.267 3.688 3.960 -0.007 0.000 0.217 289 G HA3 -0.267 3.688 3.960 -0.007 0.000 0.217 289 G C 1.640 176.508 174.900 -0.053 0.000 1.158 289 G CA 1.010 46.047 45.100 -0.105 0.000 0.771 289 G HN 0.305 nan 8.290 nan 0.000 0.545 290 C N 0.980 120.241 119.300 -0.065 0.000 2.398 290 C HA 0.064 4.519 4.460 -0.007 0.000 0.276 290 C C 3.557 178.514 174.990 -0.056 0.000 1.222 290 C CA 1.043 60.035 59.018 -0.044 0.000 1.746 290 C CB -1.074 26.639 27.740 -0.046 0.000 2.039 290 C HN 0.576 nan 8.230 nan 0.000 0.470 291 A N -0.120 122.644 122.820 -0.095 0.000 1.902 291 A HA -0.212 4.103 4.320 -0.007 0.000 0.217 291 A C 2.150 179.725 177.584 -0.015 0.000 1.181 291 A CA 1.797 53.714 52.037 -0.200 0.000 0.623 291 A CB -0.661 18.089 19.000 -0.417 0.000 0.818 291 A HN 0.701 nan 8.150 nan 0.000 0.443 292 E N -0.315 119.936 120.200 0.086 0.000 2.038 292 E HA -0.174 4.172 4.350 -0.007 0.000 0.195 292 E C 2.360 179.025 176.600 0.108 0.000 1.000 292 E CA 1.022 57.517 56.400 0.158 0.000 0.803 292 E CB -0.285 29.496 29.700 0.134 0.000 0.750 292 E HN 0.535 nan 8.360 nan 0.000 0.448 293 A N 1.367 124.225 122.820 0.062 0.000 1.896 293 A HA -0.280 4.036 4.320 -0.007 0.000 0.220 293 A C 2.176 179.783 177.584 0.038 0.000 1.206 293 A CA 2.439 54.499 52.037 0.040 0.000 0.647 293 A CB -0.584 18.427 19.000 0.018 0.000 0.828 293 A HN 0.259 nan 8.150 nan 0.000 0.455 294 M N -1.056 118.562 119.600 0.030 0.000 2.123 294 M HA -0.089 4.386 4.480 -0.007 0.000 0.263 294 M C 2.165 178.507 176.300 0.070 0.000 1.069 294 M CA 1.857 57.176 55.300 0.031 0.000 1.133 294 M CB -1.157 31.444 32.600 0.003 0.000 1.356 294 M HN 0.561 nan 8.290 nan 0.000 0.415 295 K N 0.495 120.971 120.400 0.127 0.000 2.000 295 K HA -0.183 4.133 4.320 -0.007 0.000 0.218 295 K C 1.959 178.624 176.600 0.109 0.000 1.053 295 K CA 2.024 58.420 56.287 0.182 0.000 0.946 295 K CB -0.593 32.097 32.500 0.317 0.000 0.723 295 K HN 0.417 nan 8.250 nan 0.000 0.446 296 G N 0.281 109.137 108.800 0.094 0.000 2.501 296 G HA2 -0.226 3.730 3.960 -0.007 0.000 0.220 296 G HA3 -0.226 3.730 3.960 -0.007 0.000 0.220 296 G C 1.245 176.169 174.900 0.041 0.000 1.114 296 G CA 0.353 45.490 45.100 0.061 0.000 0.757 296 G HN 0.377 nan 8.290 nan 0.000 0.559 297 Q N -0.444 119.380 119.800 0.040 0.000 2.360 297 Q HA 0.161 4.497 4.340 -0.007 0.000 0.202 297 Q C 1.635 177.652 176.000 0.030 0.000 0.915 297 Q CA 0.608 56.426 55.803 0.026 0.000 0.943 297 Q CB 0.543 29.292 28.738 0.017 0.000 1.064 297 Q HN 0.543 nan 8.270 nan 0.000 0.511 298 G N 0.655 109.480 108.800 0.042 0.000 2.130 298 G HA2 -0.236 3.720 3.960 -0.007 0.000 0.216 298 G HA3 -0.236 3.720 3.960 -0.007 0.000 0.216 298 G C 0.252 175.178 174.900 0.043 0.000 0.999 298 G CA 0.147 45.271 45.100 0.039 0.000 0.686 298 G HN 0.518 nan 8.290 nan 0.000 0.515 299 A N -0.282 122.570 122.820 0.054 0.000 2.287 299 A HA 0.798 5.114 4.320 -0.007 0.000 0.273 299 A C 0.728 178.354 177.584 0.070 0.000 1.091 299 A CA -0.221 51.847 52.037 0.051 0.000 0.817 299 A CB 0.439 19.465 19.000 0.043 0.000 1.069 299 A HN 0.492 nan 8.150 nan 0.000 0.492 300 R N 0.602 121.137 120.500 0.058 0.000 2.233 300 R HA 0.447 4.783 4.340 -0.007 0.000 0.334 300 R C -1.356 174.986 176.300 0.071 0.000 1.037 300 R CA -0.287 55.854 56.100 0.069 0.000 0.920 300 R CB 0.995 31.322 30.300 0.045 0.000 1.137 300 R HN 0.417 nan 8.270 nan 0.000 0.492 301 V N 1.891 121.882 119.914 0.128 0.000 2.483 301 V HA 0.426 4.542 4.120 -0.007 0.000 0.295 301 V C 0.071 176.223 176.094 0.095 0.000 1.035 301 V CA -0.600 61.741 62.300 0.067 0.000 0.896 301 V CB 1.869 33.665 31.823 -0.045 0.000 0.986 301 V HN 0.678 nan 8.190 nan 0.000 0.447 302 S N 2.522 118.215 115.700 -0.012 0.000 2.568 302 S HA 0.839 5.304 4.470 -0.007 0.000 0.293 302 S C -0.647 173.897 174.600 -0.094 0.000 1.089 302 S CA -0.642 57.551 58.200 -0.012 0.000 0.945 302 S CB 2.215 65.411 63.200 -0.007 0.000 1.077 302 S HN 0.464 nan 8.310 nan 0.000 0.485 303 V N 1.540 121.395 119.914 -0.098 0.000 2.960 303 V HA 0.739 4.855 4.120 -0.007 0.000 0.315 303 V C 0.177 176.228 176.094 -0.072 0.000 1.087 303 V CA -0.866 61.363 62.300 -0.117 0.000 0.982 303 V CB 2.204 33.901 31.823 -0.209 0.000 1.039 303 V HN 1.030 nan 8.190 nan 0.000 0.437 304 T N 0.058 114.583 114.554 -0.049 0.000 2.895 304 T HA 0.760 5.106 4.350 -0.007 0.000 0.283 304 T C -0.787 173.906 174.700 -0.011 0.000 1.014 304 T CA -0.529 61.550 62.100 -0.035 0.000 1.037 304 T CB 1.912 70.757 68.868 -0.039 0.000 1.006 304 T HN 0.641 nan 8.240 nan 0.000 0.468 305 E N 1.604 121.799 120.200 -0.009 0.000 2.343 305 E HA 0.280 4.626 4.350 -0.007 0.000 0.278 305 E C 0.710 177.312 176.600 0.004 0.000 0.910 305 E CA -0.580 55.826 56.400 0.010 0.000 0.757 305 E CB 2.077 31.791 29.700 0.024 0.000 1.218 305 E HN 0.832 nan 8.360 nan 0.000 0.435 306 I N -1.733 118.842 120.570 0.008 0.000 2.876 306 I HA 0.194 4.360 4.170 -0.007 0.000 0.264 306 I C 0.732 176.853 176.117 0.007 0.000 1.204 306 I CA 0.498 61.801 61.300 0.005 0.000 1.485 306 I CB 0.295 38.296 38.000 0.003 0.000 1.103 306 I HN 0.085 nan 8.210 nan 0.000 0.446 307 D N 2.476 122.885 120.400 0.015 0.000 2.280 307 D HA 0.240 4.875 4.640 -0.007 0.000 0.236 307 D C -1.688 174.622 176.300 0.018 0.000 1.082 307 D CA -2.469 51.541 54.000 0.016 0.000 0.834 307 D CB 2.092 42.906 40.800 0.023 0.000 1.100 307 D HN -0.019 nan 8.370 nan 0.000 0.486 308 P HA -0.031 nan 4.420 nan 0.000 0.223 308 P C 1.728 179.037 177.300 0.015 0.000 1.151 308 P CA 0.481 63.586 63.100 0.008 0.000 0.787 308 P CB 0.717 32.419 31.700 0.002 0.000 0.788 309 I N 0.457 121.040 120.570 0.020 0.000 2.163 309 I HA -0.200 3.965 4.170 -0.007 0.000 0.240 309 I C 2.456 178.606 176.117 0.054 0.000 1.081 309 I CA 1.211 62.527 61.300 0.027 0.000 1.353 309 I CB -0.828 37.185 38.000 0.021 0.000 1.054 309 I HN -0.078 nan 8.210 nan 0.000 0.407 310 N N 1.089 119.832 118.700 0.073 0.000 2.137 310 N HA -0.202 4.533 4.740 -0.007 0.000 0.190 310 N C 1.919 177.515 175.510 0.144 0.000 1.017 310 N CA 1.662 54.803 53.050 0.151 0.000 0.859 310 N CB -0.197 38.380 38.487 0.150 0.000 1.002 310 N HN 0.377 nan 8.380 nan 0.000 0.428 311 A N 1.201 124.052 122.820 0.051 0.000 1.930 311 A HA -0.079 4.237 4.320 -0.007 0.000 0.217 311 A C 2.197 179.762 177.584 -0.031 0.000 1.175 311 A CA 0.796 52.824 52.037 -0.016 0.000 0.627 311 A CB -0.453 18.540 19.000 -0.012 0.000 0.815 311 A HN 0.187 nan 8.150 nan 0.000 0.443 312 L N -0.100 121.124 121.223 0.001 0.000 2.072 312 L HA -0.132 4.204 4.340 -0.007 0.000 0.205 312 L C 2.468 179.340 176.870 0.003 0.000 1.079 312 L CA 2.013 56.851 54.840 -0.005 0.000 0.752 312 L CB -0.800 41.261 42.059 0.003 0.000 0.906 312 L HN 0.491 nan 8.230 nan 0.000 0.436 313 Q N -0.388 119.443 119.800 0.052 0.000 2.096 313 Q HA -0.285 4.051 4.340 -0.007 0.000 0.208 313 Q C 2.235 178.271 176.000 0.059 0.000 0.993 313 Q CA 1.973 57.843 55.803 0.113 0.000 0.862 313 Q CB -0.568 28.319 28.738 0.249 0.000 0.915 313 Q HN 0.681 nan 8.270 nan 0.000 0.416 314 A N 1.073 123.793 122.820 -0.166 0.000 1.892 314 A HA -0.238 4.078 4.320 -0.007 0.000 0.218 314 A C 2.110 179.616 177.584 -0.130 0.000 1.188 314 A CA 1.934 53.679 52.037 -0.487 0.000 0.631 314 A CB -0.608 17.948 19.000 -0.740 0.000 0.822 314 A HN 0.328 nan 8.150 nan 0.000 0.447 315 M N -1.277 118.262 119.600 -0.101 0.000 2.132 315 M HA -0.092 4.383 4.480 -0.007 0.000 0.263 315 M C 2.042 178.281 176.300 -0.102 0.000 1.065 315 M CA 1.165 56.416 55.300 -0.082 0.000 1.122 315 M CB -0.449 32.117 32.600 -0.057 0.000 1.365 315 M HN 0.290 nan 8.290 nan 0.000 0.411 316 M N 0.133 119.691 119.600 -0.070 0.000 2.539 316 M HA -0.116 4.359 4.480 -0.007 0.000 0.261 316 M C 1.002 177.242 176.300 -0.101 0.000 1.069 316 M CA 1.271 56.532 55.300 -0.065 0.000 1.081 316 M CB -0.910 31.678 32.600 -0.021 0.000 1.412 316 M HN 0.247 nan 8.290 nan 0.000 0.482 317 E N -0.613 119.490 120.200 -0.160 0.000 2.498 317 E HA 0.285 4.631 4.350 -0.007 0.000 0.203 317 E C 1.076 177.211 176.600 -0.774 0.000 1.013 317 E CA 0.424 56.644 56.400 -0.299 0.000 0.927 317 E CB 0.605 30.259 29.700 -0.076 0.000 1.012 317 E HN 0.580 nan 8.360 nan 0.000 0.482 318 G N 1.445 109.869 108.800 -0.627 0.000 2.141 318 G HA2 -0.195 3.761 3.960 -0.007 0.000 0.164 318 G HA3 -0.195 3.761 3.960 -0.007 0.000 0.164 318 G C -0.372 174.216 174.900 -0.521 0.000 1.009 318 G CA -0.580 44.190 45.100 -0.549 0.000 0.677 318 G HN 0.076 nan 8.290 nan 0.000 0.508 319 F N 1.441 121.342 119.950 -0.082 0.000 2.467 319 F HA 0.518 5.041 4.527 -0.008 0.000 0.336 319 F C 0.293 176.032 175.800 -0.102 0.000 1.123 319 F CA -1.961 55.982 58.000 -0.096 0.000 0.964 319 F CB 1.240 40.150 39.000 -0.150 0.000 1.136 319 F HN -0.135 nan 8.300 nan 0.000 0.447 320 D N 1.895 122.355 120.400 0.100 0.000 2.525 320 D HA 0.096 4.731 4.640 -0.007 0.000 0.235 320 D C -0.322 175.985 176.300 0.011 0.000 1.137 320 D CA 0.459 54.479 54.000 0.033 0.000 0.868 320 D CB 1.079 41.893 40.800 0.023 0.000 1.180 320 D HN 0.129 nan 8.370 nan 0.000 0.465 321 V N 3.786 123.689 119.914 -0.018 0.000 2.350 321 V HA 0.377 4.493 4.120 -0.007 0.000 0.276 321 V C 0.516 176.592 176.094 -0.030 0.000 1.028 321 V CA -0.355 61.921 62.300 -0.039 0.000 0.860 321 V CB 1.144 32.938 31.823 -0.049 0.000 0.990 321 V HN 0.413 nan 8.190 nan 0.000 0.453 322 V N 2.341 122.235 119.914 -0.034 0.000 3.105 322 V HA 0.848 4.964 4.120 -0.007 0.000 0.311 322 V C -0.072 175.999 176.094 -0.038 0.000 1.287 322 V CA -0.617 61.664 62.300 -0.031 0.000 1.066 322 V CB 2.031 33.837 31.823 -0.028 0.000 1.105 322 V HN 0.722 nan 8.190 nan 0.000 0.462 323 T N -2.339 112.191 114.554 -0.040 0.000 2.944 323 T HA 0.592 4.938 4.350 -0.007 0.000 0.284 323 T C 0.942 175.593 174.700 -0.081 0.000 1.010 323 T CA 0.013 62.082 62.100 -0.052 0.000 1.025 323 T CB 1.564 70.409 68.868 -0.039 0.000 1.079 323 T HN 0.671 nan 8.240 nan 0.000 0.516 324 V N 1.436 121.271 119.914 -0.131 0.000 2.233 324 V HA -0.176 3.940 4.120 -0.007 0.000 0.247 324 V C 2.717 178.700 176.094 -0.186 0.000 1.050 324 V CA 2.234 64.404 62.300 -0.216 0.000 1.010 324 V CB -1.088 30.485 31.823 -0.416 0.000 0.637 324 V HN 0.957 nan 8.190 nan 0.000 0.444 325 E N 0.347 120.460 120.200 -0.145 0.000 2.219 325 E HA -0.258 4.088 4.350 -0.007 0.000 0.198 325 E C 2.099 178.686 176.600 -0.022 0.000 0.998 325 E CA 1.629 58.010 56.400 -0.033 0.000 0.818 325 E CB -0.223 29.500 29.700 0.038 0.000 0.741 325 E HN 0.914 nan 8.360 nan 0.000 0.477 326 E N -0.608 119.572 120.200 -0.033 0.000 2.340 326 E HA 0.127 4.473 4.350 -0.007 0.000 0.194 326 E C 1.661 178.247 176.600 -0.025 0.000 0.996 326 E CA 0.724 57.110 56.400 -0.022 0.000 0.869 326 E CB 0.199 29.888 29.700 -0.018 0.000 0.835 326 E HN 0.187 nan 8.360 nan 0.000 0.493 327 A N 0.842 123.639 122.820 -0.038 0.000 2.197 327 A HA 0.223 4.538 4.320 -0.007 0.000 0.210 327 A C 1.969 179.533 177.584 -0.034 0.000 1.180 327 A CA -0.212 51.806 52.037 -0.033 0.000 0.846 327 A CB -0.223 18.755 19.000 -0.036 0.000 0.884 327 A HN 0.240 nan 8.150 nan 0.000 0.487 328 I N 0.457 120.999 120.570 -0.047 0.000 2.264 328 I HA -0.167 3.999 4.170 -0.007 0.000 0.248 328 I C 2.263 178.370 176.117 -0.018 0.000 1.111 328 I CA 1.751 63.026 61.300 -0.041 0.000 1.382 328 I CB -0.143 37.824 38.000 -0.056 0.000 1.060 328 I HN 0.267 nan 8.210 nan 0.000 0.418 329 G N -0.015 108.777 108.800 -0.013 0.000 2.470 329 G HA2 -0.235 3.721 3.960 -0.007 0.000 0.220 329 G HA3 -0.235 3.721 3.960 -0.007 0.000 0.220 329 G C 0.735 175.634 174.900 -0.001 0.000 1.121 329 G CA 1.156 46.252 45.100 -0.007 0.000 0.766 329 G HN 0.627 nan 8.290 nan 0.000 0.553 330 D N -0.888 119.512 120.400 -0.001 0.000 2.599 330 D HA 0.447 5.083 4.640 -0.007 0.000 0.249 330 D C 0.696 177.000 176.300 0.007 0.000 1.313 330 D CA -0.233 53.771 54.000 0.005 0.000 0.815 330 D CB -0.165 40.638 40.800 0.005 0.000 1.077 330 D HN 0.224 nan 8.370 nan 0.000 0.492 331 A N 0.545 123.367 122.820 0.003 0.000 2.363 331 A HA 0.338 4.654 4.320 -0.007 0.000 0.270 331 A C 0.749 178.343 177.584 0.015 0.000 1.121 331 A CA -0.418 51.621 52.037 0.004 0.000 0.800 331 A CB 0.664 19.660 19.000 -0.006 0.000 1.052 331 A HN 0.014 nan 8.150 nan 0.000 0.493 332 D N 1.082 121.494 120.400 0.019 0.000 2.213 332 D HA 0.099 4.735 4.640 -0.007 0.000 0.205 332 D C 0.181 176.498 176.300 0.029 0.000 0.961 332 D CA 1.420 55.438 54.000 0.030 0.000 0.853 332 D CB 0.226 41.044 40.800 0.029 0.000 0.967 332 D HN 0.547 nan 8.370 nan 0.000 0.496 333 I N 0.920 121.501 120.570 0.018 0.000 2.534 333 I HA 0.208 4.373 4.170 -0.007 0.000 0.288 333 I C -1.061 175.058 176.117 0.004 0.000 1.077 333 I CA -0.765 60.544 61.300 0.016 0.000 1.051 333 I CB 3.168 41.176 38.000 0.014 0.000 1.234 333 I HN -0.404 nan 8.210 nan 0.000 0.425 334 V N 6.850 126.767 119.914 0.005 0.000 2.444 334 V HA 0.509 4.625 4.120 -0.007 0.000 0.294 334 V C -0.368 175.725 176.094 -0.002 0.000 1.022 334 V CA -0.624 61.673 62.300 -0.005 0.000 0.850 334 V CB 2.212 34.030 31.823 -0.008 0.000 0.992 334 V HN 0.419 nan 8.190 nan 0.000 0.426 335 V N 3.773 123.682 119.914 -0.009 0.000 2.588 335 V HA 0.571 4.687 4.120 -0.007 0.000 0.304 335 V C 0.116 176.209 176.094 -0.002 0.000 1.042 335 V CA -0.575 61.724 62.300 -0.002 0.000 0.877 335 V CB 2.509 34.330 31.823 -0.003 0.000 0.996 335 V HN 0.965 nan 8.190 nan 0.000 0.425 336 T N 1.176 115.737 114.554 0.010 0.000 2.795 336 T HA 0.762 5.108 4.350 -0.007 0.000 0.282 336 T C 0.088 174.804 174.700 0.027 0.000 0.980 336 T CA -0.124 61.987 62.100 0.018 0.000 1.012 336 T CB 1.752 70.640 68.868 0.034 0.000 0.936 336 T HN 1.066 nan 8.240 nan 0.000 0.457 337 A N 2.357 125.189 122.820 0.020 0.000 2.843 337 A HA 0.469 4.785 4.320 -0.007 0.000 0.248 337 A C 1.330 178.916 177.584 0.003 0.000 0.904 337 A CA -0.025 52.020 52.037 0.013 0.000 1.091 337 A CB -0.249 18.747 19.000 -0.007 0.000 1.208 337 A HN 0.972 nan 8.150 nan 0.000 0.476 338 T N -4.441 110.122 114.554 0.016 0.000 3.039 338 T HA 0.360 4.706 4.350 -0.007 0.000 0.250 338 T C 1.662 176.326 174.700 -0.061 0.000 1.052 338 T CA 1.178 63.274 62.100 -0.007 0.000 1.125 338 T CB -0.119 68.756 68.868 0.011 0.000 0.908 338 T HN 1.816 nan 8.240 nan 0.000 0.473 339 G N 1.792 110.541 108.800 -0.086 0.000 2.168 339 G HA2 -0.267 3.689 3.960 -0.007 0.000 0.257 339 G HA3 -0.267 3.689 3.960 -0.007 0.000 0.257 339 G C -0.006 174.566 174.900 -0.547 0.000 0.997 339 G CA 0.372 45.236 45.100 -0.394 0.000 0.708 339 G HN 0.815 nan 8.290 nan 0.000 0.520 340 N N 0.164 118.769 118.700 -0.160 0.000 2.402 340 N HA 0.591 5.327 4.740 -0.007 0.000 0.294 340 N C 0.262 175.884 175.510 0.186 0.000 1.203 340 N CA -0.476 52.560 53.050 -0.024 0.000 0.838 340 N CB 1.194 39.677 38.487 -0.006 0.000 1.306 340 N HN 0.553 nan 8.380 nan 0.000 0.510 341 K N 0.027 120.524 120.400 0.162 0.000 2.090 341 K HA 0.433 4.749 4.320 -0.007 0.000 0.249 341 K C -0.923 175.730 176.600 0.088 0.000 0.995 341 K CA -0.420 55.963 56.287 0.159 0.000 0.914 341 K CB 0.571 33.137 32.500 0.111 0.000 1.057 341 K HN 0.372 nan 8.250 nan 0.000 0.462 342 D N 0.572 121.014 120.400 0.070 0.000 2.718 342 D HA -0.137 4.499 4.640 -0.007 0.000 0.242 342 D C 0.314 176.661 176.300 0.078 0.000 1.123 342 D CA 0.515 54.548 54.000 0.056 0.000 0.690 342 D CB -0.873 39.947 40.800 0.034 0.000 1.059 342 D HN 0.533 nan 8.370 nan 0.000 0.429 343 I N -0.676 119.943 120.570 0.082 0.000 2.628 343 I HA 0.004 4.170 4.170 -0.007 0.000 0.255 343 I C 1.270 177.450 176.117 0.104 0.000 1.119 343 I CA 0.735 62.076 61.300 0.070 0.000 1.448 343 I CB 0.049 38.074 38.000 0.042 0.000 1.133 343 I HN 0.125 nan 8.210 nan 0.000 0.438 344 I N 3.227 123.874 120.570 0.128 0.000 2.405 344 I HA 0.276 4.442 4.170 -0.007 0.000 0.280 344 I C -0.048 176.188 176.117 0.198 0.000 1.027 344 I CA -0.220 61.214 61.300 0.224 0.000 1.161 344 I CB 1.158 39.213 38.000 0.092 0.000 1.300 344 I HN -0.015 nan 8.210 nan 0.000 0.463 345 M N 4.450 124.184 119.600 0.224 0.000 2.371 345 M HA 0.230 4.705 4.480 -0.007 0.000 0.301 345 M C 1.256 177.479 176.300 -0.128 0.000 1.173 345 M CA -0.800 54.449 55.300 -0.084 0.000 1.020 345 M CB 1.084 33.536 32.600 -0.246 0.000 1.490 345 M HN 0.405 nan 8.290 nan 0.000 0.485 346 L N 2.131 123.285 121.223 -0.116 0.000 2.051 346 L HA -0.249 4.087 4.340 -0.007 0.000 0.214 346 L C 2.304 179.085 176.870 -0.148 0.000 1.076 346 L CA 2.210 56.995 54.840 -0.091 0.000 0.758 346 L CB -0.799 41.228 42.059 -0.054 0.000 0.890 346 L HN 0.840 nan 8.230 nan 0.000 0.433 347 E N -1.595 118.473 120.200 -0.220 0.000 2.070 347 E HA -0.332 4.014 4.350 -0.007 0.000 0.197 347 E C 1.979 178.465 176.600 -0.190 0.000 1.004 347 E CA 2.147 58.406 56.400 -0.235 0.000 0.805 347 E CB -0.948 28.579 29.700 -0.288 0.000 0.744 347 E HN 0.732 nan 8.360 nan 0.000 0.451 348 H N 1.054 120.078 119.070 -0.077 0.000 2.299 348 H HA -0.014 4.537 4.556 -0.007 0.000 0.302 348 H C 2.413 177.679 175.328 -0.104 0.000 1.078 348 H CA 1.402 57.405 56.048 -0.075 0.000 1.323 348 H CB -0.167 29.565 29.762 -0.050 0.000 1.381 348 H HN 0.084 nan 8.280 nan 0.000 0.498 349 I N 1.230 121.805 120.570 0.009 0.000 2.185 349 I HA -0.330 3.835 4.170 -0.007 0.000 0.246 349 I C 1.931 177.878 176.117 -0.283 0.000 1.088 349 I CA 1.573 62.831 61.300 -0.068 0.000 1.347 349 I CB -0.294 37.701 38.000 -0.008 0.000 1.041 349 I HN 0.230 nan 8.210 nan 0.000 0.415 350 K N 0.627 120.773 120.400 -0.423 0.000 2.360 350 K HA -0.053 4.263 4.320 -0.007 0.000 0.201 350 K C 1.888 178.284 176.600 -0.340 0.000 1.046 350 K CA 1.142 57.039 56.287 -0.650 0.000 0.945 350 K CB -0.120 32.094 32.500 -0.477 0.000 0.750 350 K HN 0.382 nan 8.250 nan 0.000 0.464 351 A N 0.400 123.112 122.820 -0.179 0.000 2.220 351 A HA 0.169 4.485 4.320 -0.007 0.000 0.211 351 A C 0.769 178.318 177.584 -0.057 0.000 1.176 351 A CA -0.149 51.834 52.037 -0.090 0.000 0.834 351 A CB -0.039 18.942 19.000 -0.031 0.000 0.868 351 A HN 0.108 nan 8.150 nan 0.000 0.488 352 M N 1.285 120.851 119.600 -0.057 0.000 2.250 352 M HA 0.126 4.602 4.480 -0.007 0.000 0.325 352 M C 0.514 176.816 176.300 0.004 0.000 1.084 352 M CA 0.050 55.341 55.300 -0.015 0.000 1.161 352 M CB 0.552 33.154 32.600 0.004 0.000 1.481 352 M HN 0.389 nan 8.290 nan 0.000 0.449 353 K N 0.889 121.304 120.400 0.025 0.000 2.319 353 K HA 0.107 4.423 4.320 -0.007 0.000 0.265 353 K C -0.450 176.198 176.600 0.080 0.000 1.000 353 K CA -0.752 55.562 56.287 0.044 0.000 0.943 353 K CB 0.402 32.927 32.500 0.041 0.000 0.950 353 K HN 0.415 nan 8.250 nan 0.000 0.485 354 D N 1.297 121.760 120.400 0.104 0.000 2.487 354 D HA -0.055 4.581 4.640 -0.007 0.000 0.243 354 D C -0.493 175.955 176.300 0.246 0.000 1.154 354 D CA 0.861 54.967 54.000 0.176 0.000 0.876 354 D CB -0.067 40.838 40.800 0.175 0.000 1.161 354 D HN 0.761 nan 8.370 nan 0.000 0.478 355 H N 0.090 119.205 119.070 0.074 0.000 2.820 355 H HA -0.186 4.366 4.556 -0.007 0.000 0.295 355 H C -0.103 175.259 175.328 0.056 0.000 1.187 355 H CA 0.836 56.923 56.048 0.065 0.000 1.144 355 H CB -1.540 28.251 29.762 0.048 0.000 1.354 355 H HN 0.440 nan 8.280 nan 0.000 0.395 356 A N 0.066 122.955 122.820 0.115 0.000 2.322 356 A HA 0.569 4.885 4.320 -0.007 0.000 0.269 356 A C 0.350 177.972 177.584 0.064 0.000 1.094 356 A CA -0.413 51.672 52.037 0.080 0.000 0.807 356 A CB 0.578 19.614 19.000 0.060 0.000 1.047 356 A HN 0.255 nan 8.150 nan 0.000 0.487 357 I N 1.041 121.643 120.570 0.053 0.000 2.353 357 I HA 0.377 4.543 4.170 -0.007 0.000 0.293 357 I C -0.345 175.795 176.117 0.038 0.000 0.992 357 I CA -0.059 61.269 61.300 0.046 0.000 1.268 357 I CB 1.433 39.457 38.000 0.041 0.000 1.387 357 I HN 0.520 nan 8.210 nan 0.000 0.478 358 L N 6.386 127.635 121.223 0.043 0.000 2.362 358 L HA 0.960 5.296 4.340 -0.007 0.000 0.275 358 L C -0.172 176.719 176.870 0.034 0.000 0.998 358 L CA 0.190 55.050 54.840 0.034 0.000 0.820 358 L CB 1.500 43.579 42.059 0.034 0.000 1.270 358 L HN 0.650 nan 8.230 nan 0.000 0.415 359 G N 2.359 111.175 108.800 0.026 0.000 2.708 359 G HA2 0.418 4.374 3.960 -0.007 0.000 0.289 359 G HA3 0.418 4.374 3.960 -0.007 0.000 0.289 359 G C -1.992 172.923 174.900 0.025 0.000 1.416 359 G CA -0.672 44.444 45.100 0.028 0.000 0.829 359 G HN 0.608 nan 8.290 nan 0.000 0.480 360 N N -0.601 118.116 118.700 0.029 0.000 2.352 360 N HA 0.419 5.154 4.740 -0.007 0.000 0.291 360 N C -0.460 175.066 175.510 0.027 0.000 1.040 360 N CA -0.743 52.325 53.050 0.030 0.000 0.864 360 N CB 1.935 40.441 38.487 0.032 0.000 1.440 360 N HN 0.366 nan 8.380 nan 0.000 0.483 361 I N 2.031 122.618 120.570 0.028 0.000 4.081 361 I HA 0.426 4.592 4.170 -0.007 0.000 0.333 361 I C 1.052 177.184 176.117 0.025 0.000 1.413 361 I CA -0.219 61.095 61.300 0.022 0.000 1.110 361 I CB 0.144 38.158 38.000 0.024 0.000 1.082 361 I HN 0.646 nan 8.210 nan 0.000 0.402 362 G N 0.867 109.695 108.800 0.047 0.000 2.568 362 G HA2 0.090 4.046 3.960 -0.007 0.000 0.212 362 G HA3 0.090 4.046 3.960 -0.007 0.000 0.212 362 G C -0.086 174.867 174.900 0.088 0.000 1.821 362 G CA 0.303 45.448 45.100 0.075 0.000 0.904 362 G HN 0.419 nan 8.290 nan 0.000 0.566 363 H N -1.702 117.319 119.070 -0.081 0.000 2.895 363 H HA 0.513 5.065 4.556 -0.006 0.000 0.373 363 H C 0.326 175.599 175.328 -0.093 0.000 1.174 363 H CA -1.274 54.641 56.048 -0.222 0.000 1.144 363 H CB 0.649 30.286 29.762 -0.209 0.000 1.793 363 H HN 0.298 nan 8.280 nan 0.000 0.551 364 F N 0.698 120.547 119.950 -0.168 0.000 3.233 364 F HA -0.391 4.131 4.527 -0.007 0.000 0.260 364 F C 1.760 177.436 175.800 -0.207 0.000 1.485 364 F CA 2.376 60.240 58.000 -0.227 0.000 1.754 364 F CB -0.975 37.859 39.000 -0.278 0.000 0.552 364 F HN 0.789 nan 8.300 nan 0.000 0.368 365 D N -0.876 119.533 120.400 0.015 0.000 2.497 365 D HA 0.045 4.681 4.640 -0.007 0.000 0.256 365 D C 0.816 177.095 176.300 -0.034 0.000 1.273 365 D CA 0.710 54.712 54.000 0.003 0.000 0.812 365 D CB -0.243 40.578 40.800 0.036 0.000 1.190 365 D HN 0.491 nan 8.370 nan 0.000 0.524 366 N N 0.523 119.161 118.700 -0.103 0.000 2.299 366 N HA -0.017 4.718 4.740 -0.007 0.000 0.187 366 N C 1.158 176.666 175.510 -0.003 0.000 1.099 366 N CA 0.119 53.132 53.050 -0.062 0.000 0.867 366 N CB -0.148 38.304 38.487 -0.058 0.000 0.974 366 N HN 0.190 nan 8.380 nan 0.000 0.477 367 E N 0.595 120.799 120.200 0.007 0.000 2.077 367 E HA 0.001 4.347 4.350 -0.007 0.000 0.193 367 E C 0.267 176.897 176.600 0.049 0.000 0.989 367 E CA 0.771 57.220 56.400 0.082 0.000 0.800 367 E CB 0.222 29.990 29.700 0.113 0.000 0.746 367 E HN 0.420 nan 8.360 nan 0.000 0.452 368 I N 1.799 122.383 120.570 0.023 0.000 2.392 368 I HA 0.070 4.235 4.170 -0.007 0.000 0.295 368 I C -0.085 176.027 176.117 -0.008 0.000 0.985 368 I CA -0.610 60.698 61.300 0.013 0.000 1.221 368 I CB 1.329 39.331 38.000 0.004 0.000 1.366 368 I HN -0.183 nan 8.210 nan 0.000 0.467 369 D N 6.591 126.981 120.400 -0.016 0.000 2.600 369 D HA 0.087 4.723 4.640 -0.007 0.000 0.226 369 D C 1.033 177.290 176.300 -0.072 0.000 1.119 369 D CA 0.026 54.005 54.000 -0.036 0.000 1.051 369 D CB 0.521 41.298 40.800 -0.039 0.000 1.106 369 D HN 0.313 nan 8.370 nan 0.000 0.491 370 M N 0.856 120.418 119.600 -0.063 0.000 2.394 370 M HA 0.005 4.481 4.480 -0.007 0.000 0.264 370 M C 1.868 178.125 176.300 -0.072 0.000 1.073 370 M CA 0.427 55.673 55.300 -0.090 0.000 1.111 370 M CB -0.778 31.809 32.600 -0.022 0.000 1.401 370 M HN 0.385 nan 8.290 nan 0.000 0.448 371 A N 0.278 123.076 122.820 -0.037 0.000 1.872 371 A HA 0.099 4.415 4.320 -0.007 0.000 0.214 371 A C 2.413 179.979 177.584 -0.030 0.000 1.187 371 A CA 1.704 53.732 52.037 -0.015 0.000 0.614 371 A CB -1.340 17.659 19.000 -0.002 0.000 0.826 371 A HN 0.456 nan 8.150 nan 0.000 0.442 372 G N -0.079 108.695 108.800 -0.044 0.000 2.418 372 G HA2 -0.149 3.807 3.960 -0.007 0.000 0.217 372 G HA3 -0.149 3.807 3.960 -0.007 0.000 0.217 372 G C 1.490 176.348 174.900 -0.070 0.000 1.158 372 G CA 1.221 46.294 45.100 -0.044 0.000 0.771 372 G HN 0.462 nan 8.290 nan 0.000 0.545 373 L N 0.907 122.043 121.223 -0.145 0.000 2.012 373 L HA -0.065 4.271 4.340 -0.007 0.000 0.210 373 L C 2.505 179.165 176.870 -0.349 0.000 1.073 373 L CA 2.214 56.877 54.840 -0.296 0.000 0.748 373 L CB -0.671 41.065 42.059 -0.538 0.000 0.891 373 L HN 0.397 nan 8.230 nan 0.000 0.431 374 E N -1.049 119.018 120.200 -0.221 0.000 2.418 374 E HA -0.099 4.247 4.350 -0.007 0.000 0.197 374 E C 1.668 178.314 176.600 0.076 0.000 1.026 374 E CA 0.390 56.799 56.400 0.015 0.000 0.862 374 E CB 0.028 29.801 29.700 0.121 0.000 0.799 374 E HN 0.476 nan 8.360 nan 0.000 0.518 375 R N 0.077 120.592 120.500 0.024 0.000 2.432 375 R HA 0.083 4.419 4.340 -0.007 0.000 0.260 375 R C 1.819 178.144 176.300 0.041 0.000 0.935 375 R CA 0.304 56.428 56.100 0.040 0.000 1.080 375 R CB 0.554 30.871 30.300 0.028 0.000 1.155 375 R HN 0.064 nan 8.270 nan 0.000 0.531 376 S N -1.171 114.553 115.700 0.041 0.000 2.501 376 S HA 0.094 4.560 4.470 -0.007 0.000 0.220 376 S C 1.486 176.138 174.600 0.086 0.000 0.997 376 S CA 0.627 58.870 58.200 0.072 0.000 0.919 376 S CB 0.616 63.889 63.200 0.121 0.000 0.778 376 S HN 0.396 nan 8.310 nan 0.000 0.523 377 G N 0.819 109.660 108.800 0.068 0.000 2.176 377 G HA2 -0.061 3.895 3.960 -0.007 0.000 0.232 377 G HA3 -0.061 3.895 3.960 -0.007 0.000 0.232 377 G C 0.260 175.173 174.900 0.023 0.000 0.986 377 G CA -0.109 45.026 45.100 0.058 0.000 0.643 377 G HN 1.232 nan 8.290 nan 0.000 0.522 378 A N 0.594 123.387 122.820 -0.046 0.000 2.445 378 A HA 0.661 4.977 4.320 -0.007 0.000 0.242 378 A C 0.941 178.536 177.584 0.018 0.000 1.075 378 A CA 1.329 53.228 52.037 -0.230 0.000 0.777 378 A CB 0.195 18.787 19.000 -0.680 0.000 1.013 378 A HN 1.747 nan 8.150 nan 0.000 0.493 379 T N 0.132 114.647 114.554 -0.066 0.000 2.925 379 T HA 0.653 4.998 4.350 -0.007 0.000 0.285 379 T C -0.191 174.316 174.700 -0.322 0.000 1.021 379 T CA -0.798 61.230 62.100 -0.119 0.000 1.042 379 T CB 1.269 70.077 68.868 -0.100 0.000 1.037 379 T HN 0.751 nan 8.240 nan 0.000 0.481 380 R N 1.295 121.468 120.500 -0.546 0.000 2.514 380 R HA 0.673 5.009 4.340 -0.007 0.000 0.301 380 R C -1.768 174.225 176.300 -0.512 0.000 0.962 380 R CA -0.747 54.799 56.100 -0.922 0.000 0.882 380 R CB 1.558 31.014 30.300 -1.406 0.000 1.143 380 R HN 0.597 nan 8.270 nan 0.000 0.452 381 V N 4.688 124.330 119.914 -0.452 0.000 2.531 381 V HA 0.239 4.355 4.120 -0.007 0.000 0.301 381 V C -0.340 175.602 176.094 -0.253 0.000 1.034 381 V CA -0.978 61.160 62.300 -0.270 0.000 0.865 381 V CB 1.718 33.434 31.823 -0.178 0.000 0.995 381 V HN 0.769 nan 8.190 nan 0.000 0.424 382 N N 3.819 122.405 118.700 -0.189 0.000 2.422 382 N HA 0.192 4.927 4.740 -0.007 0.000 0.264 382 N C 0.646 176.096 175.510 -0.099 0.000 1.063 382 N CA -0.225 52.738 53.050 -0.145 0.000 0.959 382 N CB 2.017 40.435 38.487 -0.115 0.000 1.087 382 N HN 0.399 nan 8.380 nan 0.000 0.483 383 V N 4.463 124.326 119.914 -0.085 0.000 2.273 383 V HA -0.070 4.046 4.120 -0.007 0.000 0.242 383 V C 0.935 177.003 176.094 -0.044 0.000 1.035 383 V CA 1.402 63.669 62.300 -0.054 0.000 1.013 383 V CB -0.513 31.287 31.823 -0.038 0.000 0.652 383 V HN 0.792 nan 8.190 nan 0.000 0.452 384 K N -0.849 119.522 120.400 -0.048 0.000 2.428 384 K HA 0.463 4.779 4.320 -0.007 0.000 0.279 384 K C -3.302 173.262 176.600 -0.060 0.000 1.041 384 K CA -2.038 54.224 56.287 -0.041 0.000 0.887 384 K CB 0.853 33.336 32.500 -0.028 0.000 1.535 384 K HN -0.162 nan 8.250 nan 0.000 0.417 385 P HA 0.015 nan 4.420 nan 0.000 0.262 385 P C -0.941 176.274 177.300 -0.142 0.000 1.182 385 P CA 0.677 63.723 63.100 -0.090 0.000 0.761 385 P CB 0.412 32.082 31.700 -0.050 0.000 0.795 386 Q N -1.066 118.587 119.800 -0.245 0.000 2.416 386 Q HA -0.149 4.187 4.340 -0.007 0.000 0.235 386 Q C -0.625 175.292 176.000 -0.139 0.000 0.773 386 Q CA 1.026 56.657 55.803 -0.286 0.000 1.286 386 Q CB -2.212 26.337 28.738 -0.315 0.000 1.556 386 Q HN 0.269 nan 8.270 nan 0.000 0.650 387 V N 1.125 120.981 119.914 -0.097 0.000 2.443 387 V HA 0.508 4.624 4.120 -0.007 0.000 0.293 387 V C -0.376 175.682 176.094 -0.060 0.000 1.021 387 V CA -0.713 61.556 62.300 -0.051 0.000 0.848 387 V CB 1.984 33.784 31.823 -0.038 0.000 0.998 387 V HN 0.086 nan 8.190 nan 0.000 0.424 388 D N 4.164 124.544 120.400 -0.033 0.000 2.787 388 D HA 0.425 5.061 4.640 -0.007 0.000 0.246 388 D C -0.945 175.312 176.300 -0.071 0.000 1.150 388 D CA -0.475 53.461 54.000 -0.106 0.000 0.864 388 D CB 3.343 44.064 40.800 -0.132 0.000 1.481 388 D HN 0.374 nan 8.370 nan 0.000 0.509 389 L N 2.394 123.514 121.223 -0.171 0.000 2.264 389 L HA 0.423 4.758 4.340 -0.007 0.000 0.289 389 L C -1.475 175.262 176.870 -0.220 0.000 1.044 389 L CA -0.277 54.485 54.840 -0.129 0.000 0.807 389 L CB 0.561 42.541 42.059 -0.132 0.000 1.192 389 L HN 0.310 nan 8.230 nan 0.000 0.425 390 W N 4.205 125.434 121.300 -0.119 0.000 2.475 390 W HA 0.612 5.268 4.660 -0.007 0.000 0.317 390 W C -0.263 176.129 176.519 -0.212 0.000 1.046 390 W CA -0.415 56.825 57.345 -0.176 0.000 1.215 390 W CB 2.133 31.494 29.460 -0.166 0.000 1.335 390 W HN 0.384 nan 8.180 nan 0.000 0.471 391 T N 3.962 118.480 114.554 -0.060 0.000 2.824 391 T HA 0.449 4.795 4.350 -0.007 0.000 0.282 391 T C -1.083 173.513 174.700 -0.173 0.000 0.993 391 T CA -0.608 61.465 62.100 -0.044 0.000 0.967 391 T CB 0.632 69.492 68.868 -0.014 0.000 0.960 391 T HN -0.027 nan 8.240 nan 0.000 0.441 392 F N 1.924 121.928 119.950 0.090 0.000 2.371 392 F HA 0.415 4.938 4.527 -0.007 0.000 0.363 392 F C 1.613 177.447 175.800 0.056 0.000 1.122 392 F CA -0.691 57.353 58.000 0.074 0.000 1.129 392 F CB 0.993 40.027 39.000 0.057 0.000 1.173 392 F HN 0.805 nan 8.300 nan 0.000 0.489 393 G N 2.018 110.912 108.800 0.156 0.000 2.469 393 G HA2 -0.354 3.602 3.960 -0.007 0.000 0.220 393 G HA3 -0.354 3.602 3.960 -0.007 0.000 0.220 393 G C 1.335 176.303 174.900 0.113 0.000 1.136 393 G CA 1.340 46.505 45.100 0.108 0.000 0.759 393 G HN 0.705 nan 8.290 nan 0.000 0.562 394 D N 0.200 120.681 120.400 0.135 0.000 2.183 394 D HA -0.082 4.553 4.640 -0.007 0.000 0.203 394 D C 2.295 178.645 176.300 0.084 0.000 0.969 394 D CA 1.854 55.911 54.000 0.096 0.000 0.842 394 D CB -0.924 39.928 40.800 0.085 0.000 0.957 394 D HN 0.415 nan 8.370 nan 0.000 0.484 395 T N -4.759 109.861 114.554 0.110 0.000 3.040 395 T HA 0.389 4.734 4.350 -0.007 0.000 0.252 395 T C 1.949 176.707 174.700 0.096 0.000 1.064 395 T CA 0.501 62.650 62.100 0.082 0.000 1.110 395 T CB 0.064 68.964 68.868 0.054 0.000 0.921 395 T HN 0.410 nan 8.240 nan 0.000 0.480 396 G N 1.818 110.694 108.800 0.126 0.000 2.205 396 G HA2 -0.261 3.695 3.960 -0.007 0.000 0.261 396 G HA3 -0.261 3.695 3.960 -0.007 0.000 0.261 396 G C 0.269 175.256 174.900 0.146 0.000 0.980 396 G CA -0.015 45.155 45.100 0.116 0.000 0.632 396 G HN 0.655 nan 8.290 nan 0.000 0.533 397 R N 0.552 121.157 120.500 0.175 0.000 2.490 397 R HA 0.585 4.921 4.340 -0.007 0.000 0.278 397 R C -0.297 176.155 176.300 0.253 0.000 1.069 397 R CA 0.223 56.437 56.100 0.191 0.000 1.080 397 R CB 1.023 31.406 30.300 0.139 0.000 1.030 397 R HN 0.208 nan 8.270 nan 0.000 0.491 398 S N 2.018 117.830 115.700 0.186 0.000 2.542 398 S HA 0.582 5.047 4.470 -0.007 0.000 0.293 398 S C -0.468 174.158 174.600 0.042 0.000 1.089 398 S CA -0.825 57.423 58.200 0.081 0.000 0.961 398 S CB 1.513 64.607 63.200 -0.177 0.000 1.062 398 S HN 0.565 nan 8.310 nan 0.000 0.483 399 I N -0.656 119.974 120.570 0.099 0.000 2.785 399 I HA 0.690 4.855 4.170 -0.007 0.000 0.302 399 I C -1.359 174.796 176.117 0.064 0.000 1.069 399 I CA -1.163 60.188 61.300 0.085 0.000 1.045 399 I CB 1.398 39.494 38.000 0.160 0.000 1.236 399 I HN 0.474 nan 8.210 nan 0.000 0.429 400 I N 5.171 125.765 120.570 0.039 0.000 2.331 400 I HA 0.377 4.543 4.170 -0.007 0.000 0.292 400 I C -0.493 175.688 176.117 0.107 0.000 0.998 400 I CA -0.707 60.629 61.300 0.061 0.000 1.267 400 I CB 1.707 39.724 38.000 0.027 0.000 1.386 400 I HN 0.335 nan 8.210 nan 0.000 0.476 401 V N 7.639 127.653 119.914 0.167 0.000 2.384 401 V HA 0.407 4.523 4.120 -0.007 0.000 0.287 401 V C 0.003 176.160 176.094 0.106 0.000 1.020 401 V CA -0.618 61.780 62.300 0.164 0.000 0.850 401 V CB 1.546 33.540 31.823 0.284 0.000 0.987 401 V HN 0.453 nan 8.190 nan 0.000 0.436 402 L N 3.631 124.891 121.223 0.062 0.000 2.307 402 L HA 0.465 4.801 4.340 -0.007 0.000 0.282 402 L C 1.055 177.934 176.870 0.015 0.000 1.051 402 L CA -0.381 54.474 54.840 0.025 0.000 0.804 402 L CB 1.448 43.517 42.059 0.016 0.000 1.197 402 L HN 0.776 nan 8.230 nan 0.000 0.431 403 S N 1.316 116.986 115.700 -0.051 0.000 3.521 403 S HA -0.208 4.258 4.470 -0.007 0.000 0.328 403 S C 0.639 175.257 174.600 0.031 0.000 1.165 403 S CA 1.207 59.347 58.200 -0.101 0.000 0.941 403 S CB -1.265 61.930 63.200 -0.008 0.000 0.951 403 S HN 0.950 nan 8.310 nan 0.000 0.539 404 E N -1.580 118.660 120.200 0.066 0.000 2.440 404 E HA -0.262 4.084 4.350 -0.007 0.000 0.246 404 E C 0.869 177.560 176.600 0.152 0.000 1.165 404 E CA 0.705 57.210 56.400 0.176 0.000 0.726 404 E CB -2.016 27.846 29.700 0.271 0.000 1.271 404 E HN 1.509 nan 8.360 nan 0.000 0.397 405 G N -0.271 108.590 108.800 0.102 0.000 2.143 405 G HA2 -0.368 3.588 3.960 -0.007 0.000 0.248 405 G HA3 -0.368 3.588 3.960 -0.007 0.000 0.248 405 G C 0.220 175.164 174.900 0.073 0.000 0.991 405 G CA 0.681 45.822 45.100 0.068 0.000 0.689 405 G HN 0.306 nan 8.290 nan 0.000 0.522 406 R N -1.203 119.367 120.500 0.116 0.000 2.856 406 R HA 0.666 5.002 4.340 -0.007 0.000 0.258 406 R C 0.754 177.105 176.300 0.085 0.000 1.066 406 R CA -1.151 55.015 56.100 0.110 0.000 1.045 406 R CB 0.746 31.169 30.300 0.206 0.000 1.178 406 R HN 0.130 nan 8.270 nan 0.000 0.499 407 L N 3.681 124.931 121.223 0.044 0.000 2.780 407 L HA -0.131 4.204 4.340 -0.007 0.000 0.275 407 L C 1.523 178.403 176.870 0.017 0.000 1.153 407 L CA 0.043 54.887 54.840 0.006 0.000 0.993 407 L CB 0.102 42.131 42.059 -0.050 0.000 1.319 407 L HN 0.616 nan 8.230 nan 0.000 0.479 408 L N 2.520 123.753 121.223 0.016 0.000 2.141 408 L HA -0.118 4.218 4.340 -0.007 0.000 0.209 408 L C 2.187 179.062 176.870 0.008 0.000 1.094 408 L CA 1.560 56.408 54.840 0.015 0.000 0.763 408 L CB -0.707 41.363 42.059 0.018 0.000 0.908 408 L HN 0.711 nan 8.230 nan 0.000 0.437 409 N N 0.932 119.633 118.700 0.001 0.000 2.188 409 N HA -0.196 4.540 4.740 -0.007 0.000 0.184 409 N C 1.708 177.206 175.510 -0.019 0.000 1.018 409 N CA 2.106 55.163 53.050 0.012 0.000 0.858 409 N CB -0.777 37.736 38.487 0.044 0.000 0.989 409 N HN 0.515 nan 8.380 nan 0.000 0.426 410 L N -0.178 120.999 121.223 -0.076 0.000 2.202 410 L HA 0.241 4.577 4.340 -0.007 0.000 0.205 410 L C 2.606 179.470 176.870 -0.009 0.000 1.083 410 L CA 0.945 55.722 54.840 -0.105 0.000 0.790 410 L CB -0.421 41.457 42.059 -0.302 0.000 0.942 410 L HN 0.285 nan 8.230 nan 0.000 0.452 411 G N -0.577 108.238 108.800 0.025 0.000 2.394 411 G HA2 -0.183 3.772 3.960 -0.007 0.000 0.215 411 G HA3 -0.183 3.772 3.960 -0.007 0.000 0.215 411 G C 1.367 176.270 174.900 0.004 0.000 1.165 411 G CA 0.416 45.557 45.100 0.069 0.000 0.784 411 G HN 0.289 nan 8.290 nan 0.000 0.535 412 N N 0.428 119.126 118.700 -0.003 0.000 2.405 412 N HA 0.226 4.961 4.740 -0.007 0.000 0.175 412 N C 1.128 176.649 175.510 0.017 0.000 1.051 412 N CA 0.705 53.751 53.050 -0.007 0.000 0.899 412 N CB 0.670 39.153 38.487 -0.008 0.000 1.000 412 N HN 0.396 nan 8.380 nan 0.000 0.451 413 A N 0.368 123.205 122.820 0.029 0.000 3.969 413 A HA 0.465 4.780 4.320 -0.007 0.000 0.168 413 A C 0.566 178.182 177.584 0.054 0.000 0.806 413 A CA 0.080 52.146 52.037 0.049 0.000 0.871 413 A CB 0.015 19.052 19.000 0.062 0.000 1.498 413 A HN 0.125 nan 8.150 nan 0.000 0.779 414 T N -2.665 111.928 114.554 0.064 0.000 3.288 414 T HA 0.532 4.878 4.350 -0.007 0.000 0.293 414 T C 0.890 175.608 174.700 0.031 0.000 1.008 414 T CA 1.067 63.204 62.100 0.062 0.000 0.929 414 T CB -0.465 68.457 68.868 0.090 0.000 1.152 414 T HN 2.538 nan 8.240 nan 0.000 0.517 415 G N 1.566 110.366 108.800 0.001 0.000 2.741 415 G HA2 -0.176 3.780 3.960 -0.007 0.000 0.222 415 G HA3 -0.176 3.780 3.960 -0.007 0.000 0.222 415 G C -0.557 174.371 174.900 0.047 0.000 1.364 415 G CA -0.669 44.389 45.100 -0.070 0.000 0.866 415 G HN 0.797 nan 8.290 nan 0.000 0.555 416 H N 1.806 120.857 119.070 -0.031 0.000 2.757 416 H HA 0.314 4.865 4.556 -0.007 0.000 0.370 416 H C -1.420 173.836 175.328 -0.120 0.000 1.172 416 H CA -0.430 55.582 56.048 -0.059 0.000 1.426 416 H CB 0.504 30.222 29.762 -0.073 0.000 1.438 416 H HN 0.505 nan 8.280 nan 0.000 0.612 417 P HA -0.029 nan 4.420 nan 0.000 0.273 417 P C 0.211 177.482 177.300 -0.049 0.000 1.250 417 P CA -0.167 62.817 63.100 -0.192 0.000 0.793 417 P CB 0.823 32.252 31.700 -0.452 0.000 1.011 418 S N -0.239 115.461 115.700 -0.000 0.000 2.359 418 S HA -0.182 4.284 4.470 -0.007 0.000 0.224 418 S C 1.604 176.225 174.600 0.036 0.000 1.035 418 S CA 1.262 59.482 58.200 0.033 0.000 1.018 418 S CB -1.073 62.170 63.200 0.072 0.000 0.876 418 S HN 0.500 nan 8.310 nan 0.000 0.448 419 F N 1.967 121.883 119.950 -0.057 0.000 2.234 419 F HA -0.072 4.451 4.527 -0.007 0.000 0.299 419 F C 2.143 177.865 175.800 -0.131 0.000 1.087 419 F CA 0.626 58.596 58.000 -0.051 0.000 1.340 419 F CB -0.274 38.702 39.000 -0.039 0.000 1.031 419 F HN -0.055 nan 8.300 nan 0.000 0.500 420 V N 0.043 119.961 119.914 0.007 0.000 2.295 420 V HA -0.332 3.784 4.120 -0.007 0.000 0.246 420 V C 2.327 178.301 176.094 -0.200 0.000 1.049 420 V CA 1.774 64.024 62.300 -0.084 0.000 1.024 420 V CB -0.467 31.331 31.823 -0.042 0.000 0.648 420 V HN 0.267 nan 8.190 nan 0.000 0.447 421 M N -0.798 118.664 119.600 -0.230 0.000 2.319 421 M HA -0.034 4.442 4.480 -0.007 0.000 0.265 421 M C 2.418 178.483 176.300 -0.392 0.000 1.068 421 M CA 1.192 56.205 55.300 -0.478 0.000 1.118 421 M CB -1.685 30.560 32.600 -0.591 0.000 1.395 421 M HN 0.390 nan 8.290 nan 0.000 0.435 422 S N 1.278 116.827 115.700 -0.251 0.000 2.380 422 S HA -0.181 4.285 4.470 -0.007 0.000 0.229 422 S C 1.808 176.321 174.600 -0.146 0.000 1.043 422 S CA 1.526 59.647 58.200 -0.133 0.000 1.038 422 S CB -0.170 62.938 63.200 -0.154 0.000 0.872 422 S HN 0.518 nan 8.310 nan 0.000 0.456 423 N N 0.386 118.837 118.700 -0.415 0.000 2.188 423 N HA -0.014 4.722 4.740 -0.007 0.000 0.184 423 N C 1.886 177.322 175.510 -0.123 0.000 1.018 423 N CA 1.416 54.268 53.050 -0.331 0.000 0.858 423 N CB -0.363 37.855 38.487 -0.448 0.000 0.989 423 N HN 0.370 nan 8.380 nan 0.000 0.426 424 S N 0.472 116.072 115.700 -0.167 0.000 2.377 424 S HA 0.059 4.525 4.470 -0.007 0.000 0.223 424 S C 1.586 176.245 174.600 0.099 0.000 1.030 424 S CA 0.546 58.697 58.200 -0.083 0.000 0.970 424 S CB -0.139 62.931 63.200 -0.218 0.000 0.830 424 S HN 0.198 nan 8.310 nan 0.000 0.473 425 F N 2.098 122.058 119.950 0.017 0.000 2.293 425 F HA 0.248 4.771 4.527 -0.007 0.000 0.297 425 F C 2.530 178.341 175.800 0.019 0.000 1.089 425 F CA -0.262 57.752 58.000 0.022 0.000 1.377 425 F CB -1.445 37.560 39.000 0.008 0.000 1.051 425 F HN 0.156 nan 8.300 nan 0.000 0.511 426 A N 0.697 123.631 122.820 0.190 0.000 1.892 426 A HA -0.235 4.080 4.320 -0.007 0.000 0.218 426 A C 2.236 179.886 177.584 0.109 0.000 1.188 426 A CA 2.007 54.120 52.037 0.127 0.000 0.631 426 A CB -0.938 18.134 19.000 0.119 0.000 0.822 426 A HN 0.390 nan 8.150 nan 0.000 0.447 427 N N -0.659 118.103 118.700 0.102 0.000 2.223 427 N HA -0.145 4.590 4.740 -0.007 0.000 0.185 427 N C 1.851 177.419 175.510 0.097 0.000 1.016 427 N CA 1.231 54.333 53.050 0.087 0.000 0.863 427 N CB -0.202 38.331 38.487 0.076 0.000 0.983 427 N HN 0.507 nan 8.380 nan 0.000 0.429 428 Q N 0.414 120.299 119.800 0.141 0.000 2.079 428 Q HA -0.023 4.313 4.340 -0.007 0.000 0.200 428 Q C 1.864 177.907 176.000 0.071 0.000 0.974 428 Q CA 1.135 57.013 55.803 0.126 0.000 0.840 428 Q CB -0.575 28.276 28.738 0.189 0.000 0.898 428 Q HN 0.351 nan 8.270 nan 0.000 0.430 429 T N 1.564 116.159 114.554 0.068 0.000 2.788 429 T HA -0.056 4.290 4.350 -0.007 0.000 0.268 429 T C 2.015 176.710 174.700 -0.007 0.000 1.044 429 T CA 0.823 62.935 62.100 0.021 0.000 1.139 429 T CB -0.115 68.769 68.868 0.027 0.000 0.867 429 T HN 0.173 nan 8.240 nan 0.000 0.454 430 I N 1.259 121.841 120.570 0.020 0.000 2.163 430 I HA -0.120 4.046 4.170 -0.007 0.000 0.240 430 I C 2.948 179.071 176.117 0.010 0.000 1.081 430 I CA 0.957 62.264 61.300 0.012 0.000 1.353 430 I CB -0.570 37.459 38.000 0.049 0.000 1.054 430 I HN 0.162 nan 8.210 nan 0.000 0.407 431 A N 0.439 123.273 122.820 0.024 0.000 1.884 431 A HA -0.299 4.017 4.320 -0.007 0.000 0.219 431 A C 2.303 179.879 177.584 -0.013 0.000 1.197 431 A CA 1.852 53.895 52.037 0.010 0.000 0.637 431 A CB -0.687 18.327 19.000 0.024 0.000 0.827 431 A HN 0.446 nan 8.150 nan 0.000 0.450 432 Q N -0.593 119.202 119.800 -0.009 0.000 2.020 432 Q HA -0.122 4.214 4.340 -0.007 0.000 0.202 432 Q C 2.272 178.285 176.000 0.023 0.000 0.982 432 Q CA 1.517 57.312 55.803 -0.013 0.000 0.838 432 Q CB -0.475 28.243 28.738 -0.034 0.000 0.899 432 Q HN 0.781 nan 8.270 nan 0.000 0.423 433 I N 1.331 121.892 120.570 -0.015 0.000 2.113 433 I HA -0.312 3.854 4.170 -0.007 0.000 0.242 433 I C 2.332 178.479 176.117 0.050 0.000 1.064 433 I CA 1.381 62.670 61.300 -0.018 0.000 1.320 433 I CB -0.307 37.575 38.000 -0.197 0.000 1.028 433 I HN 0.213 nan 8.210 nan 0.000 0.406 434 E N 0.194 120.418 120.200 0.040 0.000 2.072 434 E HA -0.207 4.139 4.350 -0.007 0.000 0.191 434 E C 2.123 178.790 176.600 0.113 0.000 0.985 434 E CA 1.102 57.561 56.400 0.097 0.000 0.801 434 E CB -0.353 29.424 29.700 0.128 0.000 0.750 434 E HN 0.319 nan 8.360 nan 0.000 0.452 435 L N 0.440 121.654 121.223 -0.014 0.000 2.291 435 L HA -0.044 4.292 4.340 -0.007 0.000 0.214 435 L C 1.816 178.735 176.870 0.081 0.000 1.120 435 L CA 1.177 55.935 54.840 -0.137 0.000 0.799 435 L CB -0.350 41.568 42.059 -0.234 0.000 0.925 435 L HN 0.258 nan 8.230 nan 0.000 0.446 436 W N -0.329 120.929 121.300 -0.071 0.000 2.560 436 W HA -0.153 4.502 4.660 -0.007 0.000 0.303 436 W C 2.131 178.639 176.519 -0.018 0.000 1.151 436 W CA 1.450 58.763 57.345 -0.053 0.000 1.426 436 W CB -0.251 29.168 29.460 -0.067 0.000 1.135 436 W HN 0.316 nan 8.180 nan 0.000 0.522 437 T N -0.904 113.623 114.554 -0.044 0.000 3.035 437 T HA -0.040 4.306 4.350 -0.007 0.000 0.268 437 T C 0.991 175.638 174.700 -0.088 0.000 1.109 437 T CA 0.867 62.887 62.100 -0.133 0.000 1.119 437 T CB -0.224 68.638 68.868 -0.009 0.000 0.900 437 T HN 0.064 nan 8.240 nan 0.000 0.503 438 K N 0.391 120.795 120.400 0.007 0.000 2.972 438 K HA 0.320 4.636 4.320 -0.007 0.000 0.209 438 K C 0.635 177.318 176.600 0.139 0.000 1.128 438 K CA -0.225 56.092 56.287 0.050 0.000 1.024 438 K CB 0.266 32.821 32.500 0.091 0.000 0.754 438 K HN 0.085 nan 8.250 nan 0.000 0.454 439 N N 1.799 120.536 118.700 0.062 0.000 2.272 439 N HA -0.167 4.568 4.740 -0.007 0.000 0.185 439 N C 0.648 176.229 175.510 0.118 0.000 1.014 439 N CA 1.614 54.735 53.050 0.119 0.000 0.870 439 N CB 0.199 38.669 38.487 -0.027 0.000 0.975 439 N HN 0.213 nan 8.380 nan 0.000 0.433 440 D N -0.509 119.902 120.400 0.017 0.000 2.264 440 D HA -0.082 4.554 4.640 -0.007 0.000 0.208 440 D C 1.208 177.477 176.300 -0.052 0.000 0.966 440 D CA 0.737 54.728 54.000 -0.016 0.000 0.864 440 D CB -0.019 40.755 40.800 -0.045 0.000 0.933 440 D HN 0.349 nan 8.370 nan 0.000 0.499 441 E N -0.837 119.279 120.200 -0.141 0.000 2.482 441 E HA 0.016 4.361 4.350 -0.007 0.000 0.196 441 E C -0.466 175.862 176.600 -0.455 0.000 1.047 441 E CA 0.290 56.487 56.400 -0.339 0.000 0.869 441 E CB 0.119 29.495 29.700 -0.539 0.000 0.836 441 E HN 0.413 nan 8.360 nan 0.000 0.520 442 Y N 0.905 121.124 120.300 -0.135 0.000 2.328 442 Y HA 0.224 4.770 4.550 -0.007 0.000 0.337 442 Y C 0.309 176.217 175.900 0.012 0.000 0.966 442 Y CA -1.303 56.673 58.100 -0.207 0.000 1.136 442 Y CB 1.083 39.398 38.460 -0.240 0.000 1.170 442 Y HN -0.142 nan 8.280 nan 0.000 0.470 443 D N 1.141 121.726 120.400 0.309 0.000 2.414 443 D HA 0.057 4.692 4.640 -0.007 0.000 0.259 443 D C -0.345 176.168 176.300 0.354 0.000 1.269 443 D CA -0.233 53.946 54.000 0.298 0.000 1.028 443 D CB 0.537 41.501 40.800 0.272 0.000 1.093 443 D HN 0.437 nan 8.370 nan 0.000 0.545 444 N N 1.473 120.304 118.700 0.219 0.000 2.807 444 N HA 0.169 4.905 4.740 -0.007 0.000 0.259 444 N C -0.408 175.181 175.510 0.131 0.000 1.149 444 N CA 0.116 53.267 53.050 0.167 0.000 1.042 444 N CB 0.349 38.879 38.487 0.071 0.000 1.367 444 N HN 0.305 nan 8.380 nan 0.000 0.516 445 E N -0.712 119.595 120.200 0.179 0.000 2.445 445 E HA 0.370 4.716 4.350 -0.007 0.000 0.279 445 E C -0.938 175.607 176.600 -0.092 0.000 1.018 445 E CA -0.891 55.485 56.400 -0.039 0.000 0.816 445 E CB 2.118 31.662 29.700 -0.259 0.000 1.356 445 E HN -0.065 nan 8.360 nan 0.000 0.462 446 V N 1.944 121.779 119.914 -0.132 0.000 2.498 446 V HA 0.266 4.382 4.120 -0.007 0.000 0.279 446 V C -0.980 175.001 176.094 -0.187 0.000 1.048 446 V CA 0.028 62.325 62.300 -0.006 0.000 0.967 446 V CB -0.140 31.802 31.823 0.197 0.000 0.988 446 V HN 0.494 nan 8.190 nan 0.000 0.473 447 Y N 3.583 123.977 120.300 0.157 0.000 2.462 447 Y HA 0.637 5.183 4.550 -0.007 0.000 0.346 447 Y C 0.375 176.358 175.900 0.137 0.000 0.976 447 Y CA -0.834 57.366 58.100 0.167 0.000 1.044 447 Y CB 2.047 40.642 38.460 0.226 0.000 1.230 447 Y HN 0.475 nan 8.280 nan 0.000 0.455 448 R N 2.290 122.966 120.500 0.293 0.000 2.604 448 R HA 0.580 4.916 4.340 -0.007 0.000 0.287 448 R C -1.026 175.390 176.300 0.194 0.000 0.970 448 R CA -0.967 55.256 56.100 0.205 0.000 0.946 448 R CB 1.356 31.752 30.300 0.160 0.000 1.127 448 R HN 0.583 nan 8.270 nan 0.000 0.473 449 L N 3.857 125.160 121.223 0.134 0.000 2.461 449 L HA 0.196 4.532 4.340 -0.007 0.000 0.272 449 L C -1.538 175.363 176.870 0.052 0.000 1.197 449 L CA -1.476 53.417 54.840 0.088 0.000 0.836 449 L CB -0.002 42.086 42.059 0.049 0.000 1.105 449 L HN 0.387 nan 8.230 nan 0.000 0.477 450 P HA 0.040 nan 4.420 nan 0.000 0.272 450 P C -0.015 177.231 177.300 -0.091 0.000 1.240 450 P CA -0.512 62.569 63.100 -0.032 0.000 0.791 450 P CB 0.909 32.578 31.700 -0.052 0.000 0.978 451 K N 0.343 120.747 120.400 0.007 0.000 2.097 451 K HA -0.188 4.128 4.320 -0.007 0.000 0.206 451 K C 2.129 178.736 176.600 0.013 0.000 1.049 451 K CA 1.277 57.593 56.287 0.047 0.000 0.933 451 K CB -0.337 32.230 32.500 0.113 0.000 0.717 451 K HN 0.599 nan 8.250 nan 0.000 0.442 452 H N 0.017 119.111 119.070 0.041 0.000 2.457 452 H HA -0.078 4.473 4.556 -0.007 0.000 0.294 452 H C 1.868 177.223 175.328 0.044 0.000 1.064 452 H CA 0.976 57.036 56.048 0.020 0.000 1.330 452 H CB -0.273 29.488 29.762 -0.002 0.000 1.395 452 H HN 0.217 nan 8.280 nan 0.000 0.541 453 L N 0.517 121.460 121.223 -0.466 0.000 2.131 453 L HA -0.103 4.232 4.340 -0.007 0.000 0.206 453 L C 2.469 179.313 176.870 -0.044 0.000 1.087 453 L CA 1.128 55.855 54.840 -0.188 0.000 0.767 453 L CB -0.375 41.552 42.059 -0.220 0.000 0.917 453 L HN 0.187 nan 8.230 nan 0.000 0.441 454 D N 0.526 120.902 120.400 -0.041 0.000 2.144 454 D HA -0.190 4.446 4.640 -0.007 0.000 0.199 454 D C 2.031 178.352 176.300 0.034 0.000 0.984 454 D CA 1.267 55.274 54.000 0.011 0.000 0.834 454 D CB 0.194 41.007 40.800 0.022 0.000 0.955 454 D HN 0.350 nan 8.370 nan 0.000 0.465 455 E N -0.023 120.212 120.200 0.058 0.000 2.216 455 E HA -0.108 4.238 4.350 -0.007 0.000 0.192 455 E C 1.982 178.636 176.600 0.090 0.000 0.988 455 E CA 0.335 56.793 56.400 0.096 0.000 0.834 455 E CB 0.105 29.886 29.700 0.136 0.000 0.772 455 E HN 0.225 nan 8.360 nan 0.000 0.479 456 K N 1.365 121.813 120.400 0.080 0.000 2.057 456 K HA -0.123 4.192 4.320 -0.007 0.000 0.206 456 K C 2.044 178.675 176.600 0.052 0.000 1.050 456 K CA 1.068 57.400 56.287 0.075 0.000 0.935 456 K CB 0.044 32.600 32.500 0.093 0.000 0.715 456 K HN -0.033 nan 8.250 nan 0.000 0.439 457 V N 1.728 121.674 119.914 0.054 0.000 2.295 457 V HA -0.252 3.864 4.120 -0.007 0.000 0.246 457 V C 2.610 178.766 176.094 0.103 0.000 1.049 457 V CA 2.012 64.355 62.300 0.071 0.000 1.024 457 V CB -0.855 31.008 31.823 0.066 0.000 0.648 457 V HN 0.516 nan 8.190 nan 0.000 0.447 458 A N -0.123 122.724 122.820 0.045 0.000 1.883 458 A HA -0.274 4.041 4.320 -0.007 0.000 0.217 458 A C 2.427 180.039 177.584 0.046 0.000 1.186 458 A CA 2.151 54.189 52.037 0.002 0.000 0.624 458 A CB -0.615 18.384 19.000 -0.003 0.000 0.822 458 A HN 0.467 nan 8.150 nan 0.000 0.444 459 R N -0.392 120.140 120.500 0.054 0.000 2.096 459 R HA -0.105 4.230 4.340 -0.007 0.000 0.235 459 R C 1.954 178.259 176.300 0.007 0.000 1.127 459 R CA 1.629 57.760 56.100 0.051 0.000 0.968 459 R CB -0.441 29.901 30.300 0.069 0.000 0.861 459 R HN 0.584 nan 8.270 nan 0.000 0.440 460 I N -0.331 120.205 120.570 -0.057 0.000 2.194 460 I HA -0.317 3.848 4.170 -0.007 0.000 0.246 460 I C 1.814 177.773 176.117 -0.264 0.000 1.093 460 I CA 1.787 62.967 61.300 -0.201 0.000 1.355 460 I CB -0.266 37.519 38.000 -0.359 0.000 1.046 460 I HN 0.319 nan 8.210 nan 0.000 0.413 461 H N -0.933 118.112 119.070 -0.042 0.000 2.415 461 H HA -0.018 4.534 4.556 -0.007 0.000 0.297 461 H C 2.228 177.640 175.328 0.140 0.000 1.048 461 H CA 0.929 56.998 56.048 0.035 0.000 1.365 461 H CB -0.194 29.489 29.762 -0.132 0.000 1.421 461 H HN 0.012 nan 8.280 nan 0.000 0.533 462 V N 1.321 121.329 119.914 0.157 0.000 2.250 462 V HA -0.293 3.823 4.120 -0.007 0.000 0.250 462 V C 2.152 178.307 176.094 0.102 0.000 1.060 462 V CA 2.131 64.498 62.300 0.111 0.000 1.030 462 V CB -0.306 31.564 31.823 0.077 0.000 0.643 462 V HN 0.518 nan 8.190 nan 0.000 0.445 463 E N 0.128 120.374 120.200 0.077 0.000 2.106 463 E HA -0.163 4.183 4.350 -0.007 0.000 0.192 463 E C 2.378 179.016 176.600 0.063 0.000 0.984 463 E CA 1.353 57.789 56.400 0.060 0.000 0.806 463 E CB -0.496 29.227 29.700 0.038 0.000 0.750 463 E HN 0.596 nan 8.360 nan 0.000 0.458 464 A N 1.638 124.512 122.820 0.090 0.000 1.892 464 A HA -0.168 4.147 4.320 -0.007 0.000 0.218 464 A C 2.312 179.959 177.584 0.106 0.000 1.188 464 A CA 1.269 53.387 52.037 0.135 0.000 0.631 464 A CB -0.760 18.405 19.000 0.275 0.000 0.822 464 A HN 0.187 nan 8.150 nan 0.000 0.447 465 L N -1.786 119.499 121.223 0.104 0.000 2.478 465 L HA 0.122 4.458 4.340 -0.007 0.000 0.223 465 L C 1.775 178.643 176.870 -0.004 0.000 1.140 465 L CA 0.654 55.486 54.840 -0.013 0.000 0.842 465 L CB -0.235 41.793 42.059 -0.052 0.000 0.953 465 L HN 0.661 nan 8.230 nan 0.000 0.452 466 G N -0.551 108.265 108.800 0.026 0.000 2.163 466 G HA2 -0.192 3.764 3.960 -0.007 0.000 0.213 466 G HA3 -0.192 3.764 3.960 -0.007 0.000 0.213 466 G C 0.539 175.461 174.900 0.038 0.000 0.991 466 G CA -0.331 44.779 45.100 0.018 0.000 0.653 466 G HN 0.487 nan 8.290 nan 0.000 0.518 467 G N -0.334 108.499 108.800 0.056 0.000 2.398 467 G HA2 0.455 4.411 3.960 -0.007 0.000 0.246 467 G HA3 0.455 4.411 3.960 -0.007 0.000 0.246 467 G C -0.351 174.630 174.900 0.135 0.000 1.289 467 G CA 0.221 45.369 45.100 0.080 0.000 0.869 467 G HN 0.617 nan 8.290 nan 0.000 0.543 468 H N 2.979 122.055 119.070 0.010 0.000 2.638 468 H HA 0.371 4.923 4.556 -0.007 0.000 0.317 468 H C -0.171 175.159 175.328 0.003 0.000 1.006 468 H CA -0.804 55.248 56.048 0.007 0.000 1.222 468 H CB 0.838 30.602 29.762 0.003 0.000 1.419 468 H HN 0.235 nan 8.280 nan 0.000 0.489 469 L N 3.360 124.527 121.223 -0.094 0.000 2.439 469 L HA 0.239 4.574 4.340 -0.007 0.000 0.259 469 L C 0.719 177.424 176.870 -0.275 0.000 1.129 469 L CA -0.503 54.257 54.840 -0.134 0.000 0.803 469 L CB 1.480 43.501 42.059 -0.065 0.000 1.161 469 L HN 0.587 nan 8.230 nan 0.000 0.462 470 T N 1.006 115.436 114.554 -0.208 0.000 2.909 470 T HA 0.209 4.555 4.350 -0.007 0.000 0.286 470 T C -0.226 174.382 174.700 -0.154 0.000 1.002 470 T CA -0.513 61.468 62.100 -0.199 0.000 1.074 470 T CB 1.158 69.937 68.868 -0.147 0.000 0.984 470 T HN 0.376 nan 8.240 nan 0.000 0.495 471 K N 3.192 123.524 120.400 -0.114 0.000 2.206 471 K HA 0.415 4.731 4.320 -0.007 0.000 0.264 471 K C -0.665 175.907 176.600 -0.046 0.000 0.967 471 K CA -0.635 55.616 56.287 -0.059 0.000 0.844 471 K CB 0.638 33.121 32.500 -0.028 0.000 1.099 471 K HN 0.506 nan 8.250 nan 0.000 0.441 472 L N 3.841 125.049 121.223 -0.024 0.000 2.416 472 L HA 0.103 4.439 4.340 -0.007 0.000 0.272 472 L C 0.920 177.793 176.870 0.006 0.000 1.161 472 L CA -0.275 54.559 54.840 -0.010 0.000 0.845 472 L CB 1.026 43.102 42.059 0.027 0.000 1.119 472 L HN 0.820 nan 8.230 nan 0.000 0.464 473 T N -0.884 113.667 114.554 -0.004 0.000 2.860 473 T HA 0.054 4.400 4.350 -0.007 0.000 0.299 473 T C 1.076 175.786 174.700 0.018 0.000 1.045 473 T CA -0.588 61.514 62.100 0.003 0.000 1.071 473 T CB 1.006 69.869 68.868 -0.009 0.000 0.985 473 T HN 0.679 nan 8.240 nan 0.000 0.537 474 K N 0.657 121.069 120.400 0.020 0.000 2.089 474 K HA -0.218 4.098 4.320 -0.007 0.000 0.210 474 K C 2.068 178.689 176.600 0.035 0.000 1.048 474 K CA 2.023 58.327 56.287 0.028 0.000 0.926 474 K CB -0.127 32.386 32.500 0.022 0.000 0.714 474 K HN 0.763 nan 8.250 nan 0.000 0.448 475 E N -0.051 120.166 120.200 0.028 0.000 2.208 475 E HA -0.172 4.174 4.350 -0.007 0.000 0.193 475 E C 2.154 178.786 176.600 0.052 0.000 0.988 475 E CA 0.806 57.229 56.400 0.039 0.000 0.828 475 E CB 0.102 29.812 29.700 0.018 0.000 0.763 475 E HN 0.458 nan 8.360 nan 0.000 0.478 476 Q N 0.361 120.176 119.800 0.025 0.000 2.049 476 Q HA -0.048 4.288 4.340 -0.007 0.000 0.198 476 Q C 2.267 178.320 176.000 0.089 0.000 0.971 476 Q CA 1.090 56.904 55.803 0.019 0.000 0.833 476 Q CB -0.100 28.625 28.738 -0.021 0.000 0.896 476 Q HN 0.189 nan 8.270 nan 0.000 0.434 477 A N 1.099 123.967 122.820 0.080 0.000 1.978 477 A HA -0.273 4.043 4.320 -0.007 0.000 0.220 477 A C 1.853 179.498 177.584 0.102 0.000 1.170 477 A CA 1.750 53.846 52.037 0.099 0.000 0.636 477 A CB -0.493 18.560 19.000 0.089 0.000 0.810 477 A HN 0.431 nan 8.150 nan 0.000 0.448 478 E N -1.823 118.438 120.200 0.101 0.000 2.072 478 E HA -0.205 4.141 4.350 -0.007 0.000 0.191 478 E C 1.806 178.478 176.600 0.119 0.000 0.985 478 E CA 1.162 57.617 56.400 0.092 0.000 0.801 478 E CB -0.283 29.468 29.700 0.084 0.000 0.750 478 E HN 0.730 nan 8.360 nan 0.000 0.452 479 Y N 0.849 121.158 120.300 0.014 0.000 2.145 479 Y HA -0.162 4.385 4.550 -0.005 0.000 0.286 479 Y C 1.892 177.800 175.900 0.013 0.000 1.145 479 Y CA 1.586 59.693 58.100 0.012 0.000 1.148 479 Y CB 0.036 38.502 38.460 0.009 0.000 0.981 479 Y HN 0.034 nan 8.280 nan 0.000 0.507 480 L N -0.689 120.661 121.223 0.212 0.000 2.291 480 L HA 0.055 4.391 4.340 -0.007 0.000 0.214 480 L C 1.561 178.461 176.870 0.049 0.000 1.120 480 L CA 0.793 55.701 54.840 0.114 0.000 0.799 480 L CB -0.885 41.252 42.059 0.129 0.000 0.925 480 L HN 0.500 nan 8.230 nan 0.000 0.446 481 G N 1.290 110.120 108.800 0.051 0.000 2.272 481 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.280 481 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.280 481 G C -0.016 174.903 174.900 0.032 0.000 1.067 481 G CA 0.368 45.485 45.100 0.028 0.000 0.902 481 G HN 0.326 nan 8.290 nan 0.000 0.500 482 V N -3.541 116.407 119.914 0.056 0.000 3.001 482 V HA 0.848 4.964 4.120 -0.007 0.000 0.314 482 V C -0.046 176.078 176.094 0.050 0.000 1.099 482 V CA -1.521 60.809 62.300 0.049 0.000 0.989 482 V CB 2.169 34.050 31.823 0.097 0.000 1.040 482 V HN 0.089 nan 8.190 nan 0.000 0.434 483 D N 1.510 121.915 120.400 0.008 0.000 2.339 483 D HA 0.281 4.917 4.640 -0.007 0.000 0.245 483 D C 1.331 177.667 176.300 0.061 0.000 1.115 483 D CA -0.172 53.836 54.000 0.013 0.000 0.917 483 D CB 2.174 42.958 40.800 -0.026 0.000 1.192 483 D HN 0.400 nan 8.370 nan 0.000 0.428 484 V N 1.364 121.329 119.914 0.085 0.000 2.469 484 V HA -0.240 3.876 4.120 -0.007 0.000 0.251 484 V C 2.199 178.411 176.094 0.197 0.000 1.064 484 V CA 1.947 64.337 62.300 0.150 0.000 1.066 484 V CB -0.556 31.321 31.823 0.090 0.000 0.667 484 V HN 0.636 nan 8.190 nan 0.000 0.461 485 E N 0.306 120.543 120.200 0.062 0.000 2.478 485 E HA 0.267 4.613 4.350 -0.007 0.000 0.194 485 E C 1.040 177.530 176.600 -0.184 0.000 1.045 485 E CA 0.910 57.325 56.400 0.025 0.000 0.868 485 E CB 0.286 29.986 29.700 -0.001 0.000 0.885 485 E HN 0.584 nan 8.360 nan 0.000 0.505 486 G N 1.756 110.288 108.800 -0.447 0.000 2.685 486 G HA2 -0.190 3.766 3.960 -0.007 0.000 0.387 486 G HA3 -0.190 3.766 3.960 -0.007 0.000 0.387 486 G C -2.598 172.061 174.900 -0.402 0.000 1.324 486 G CA -0.551 43.975 45.100 -0.957 0.000 0.878 486 G HN 0.176 nan 8.290 nan 0.000 0.527 487 P HA 0.314 nan 4.420 nan 0.000 0.267 487 P C -0.047 177.029 177.300 -0.373 0.000 1.201 487 P CA 0.277 63.184 63.100 -0.321 0.000 0.775 487 P CB 0.073 31.733 31.700 -0.067 0.000 0.854 488 Y N -0.104 120.213 120.300 0.029 0.000 2.449 488 Y HA 0.222 4.767 4.550 -0.008 0.000 0.254 488 Y C 0.790 176.629 175.900 -0.101 0.000 1.140 488 Y CA 0.457 58.546 58.100 -0.019 0.000 1.272 488 Y CB 0.339 38.796 38.460 -0.005 0.000 1.114 488 Y HN 0.050 nan 8.280 nan 0.000 0.525 489 K N 0.269 120.661 120.400 -0.013 0.000 2.426 489 K HA 0.436 4.751 4.320 -0.007 0.000 0.251 489 K C -2.881 173.632 176.600 -0.145 0.000 0.941 489 K CA -2.194 53.965 56.287 -0.213 0.000 0.808 489 K CB 1.548 33.822 32.500 -0.376 0.000 1.265 489 K HN -0.178 nan 8.250 nan 0.000 0.432 490 P HA 0.064 nan 4.420 nan 0.000 0.270 490 P C 0.237 177.426 177.300 -0.186 0.000 1.227 490 P CA -0.018 62.950 63.100 -0.220 0.000 0.788 490 P CB 0.583 32.025 31.700 -0.431 0.000 0.926 491 D N -1.344 118.992 120.400 -0.107 0.000 2.277 491 D HA -0.126 4.510 4.640 -0.007 0.000 0.208 491 D C 1.353 177.689 176.300 0.060 0.000 0.962 491 D CA 0.872 54.888 54.000 0.026 0.000 0.865 491 D CB -0.192 40.658 40.800 0.083 0.000 0.939 491 D HN 0.565 nan 8.370 nan 0.000 0.510 492 H N -2.514 116.618 119.070 0.103 0.000 2.547 492 H HA 0.063 4.618 4.556 -0.002 0.000 0.266 492 H C 0.012 175.386 175.328 0.077 0.000 0.988 492 H CA -0.204 55.892 56.048 0.081 0.000 1.147 492 H CB -0.831 28.962 29.762 0.052 0.000 1.365 492 H HN 0.108 nan 8.280 nan 0.000 0.589 493 Y N 2.613 122.770 120.300 -0.238 0.000 2.511 493 Y HA 0.072 4.617 4.550 -0.008 0.000 0.332 493 Y C 0.937 176.714 175.900 -0.206 0.000 1.177 493 Y CA -0.259 57.669 58.100 -0.286 0.000 1.422 493 Y CB 0.631 38.803 38.460 -0.480 0.000 1.271 493 Y HN 0.138 nan 8.280 nan 0.000 0.550 494 R N 3.789 123.853 120.500 -0.726 0.000 2.362 494 R HA 0.107 4.443 4.340 -0.007 0.000 0.227 494 R C -0.757 175.428 176.300 -0.192 0.000 0.905 494 R CA -0.172 55.743 56.100 -0.309 0.000 1.067 494 R CB -0.009 30.179 30.300 -0.187 0.000 1.078 494 R HN 0.804 nan 8.270 nan 0.000 0.516 495 Y N 0.000 120.006 120.300 -0.490 0.000 2.660 495 Y HA 0.000 4.547 4.550 -0.006 0.000 0.201 495 Y CA 0.000 58.033 58.100 -0.112 0.000 1.940 495 Y CB 0.000 38.517 38.460 0.095 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758