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 3edk_1_A DATA FIRST_RESID 3 DATA SEQUENCE PTAIEHMEPP FWWAGMQHKG LQLMVHGRDI GRMEAALDYP GVRLVSPTRV DATA SEQUENCE PNANYLFVDL EIGPEAQPGS FDIVFKGDGR SERYRYRLLA REQGSAQRQG DATA SEQUENCE FGPGDAIYQI MPDRFANGDP SNDNVAGMRE QADRRHGGGR HGGDIRGTID DATA SEQUENCE HLDYIAGLGF TQLWPTPLVE NDAAAYSYHG YAATDHYRID PRYGSNEDFV DATA SEQUENCE RLSTEARKRG MGLIQDVVLS HIGKHHWWMK DLPTPDWINY GGKFVPTQHH DATA SEQUENCE RVAVQDPYAA QADSENFTKG WFVEGMPDLN QTNPLVANYL IQNNIWWIEY DATA SEQUENCE AGLSGLRIDT YGYSDGAFLT EYTRRLMAEY PRLNMVGQEW STRVPVVARW DATA SEQUENCE QRGKANFDGY TSHLPSLMDF PLVDAMRNAL SKTGEENGLN EVYETLSLDY DATA SEQUENCE LYPEPQNLVL FGGNHDMARM FSAAGEDFDR WRMNLVFLMT MPRIPQFYSG DATA SEQUENCE DEILMTSTVK GRDDASYRRD FPGGWAGDKA NAFSGAGLTS QQRAAQDLVR DATA SEQUENCE KLANWRKNQP VIHNGRLMHF GPEENTWVYF RYNKDKRIMV AMNNNDKPMT DATA SEQUENCE LPTARFQEML KGAPSGVDFL SGKTVGLGRE LRLAPKSVVV IELPGLP 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.222 177.300 -0.131 0.000 1.155 3 P CA 0.000 63.036 63.100 -0.106 0.000 0.800 3 P CB 0.000 31.614 31.700 -0.142 0.000 0.726 4 T N -0.341 114.120 114.554 -0.155 0.000 2.855 4 T HA 0.713 5.063 4.350 -0.000 0.000 0.281 4 T C 0.386 174.977 174.700 -0.181 0.000 1.007 4 T CA 0.332 62.347 62.100 -0.142 0.000 1.009 4 T CB 1.654 70.451 68.868 -0.118 0.000 0.983 4 T HN 0.893 nan 8.240 nan 0.000 0.455 5 A N 2.793 125.523 122.820 -0.149 0.000 5.568 5 A HA -0.228 4.092 4.320 -0.000 0.000 0.322 5 A C 0.144 177.601 177.584 -0.213 0.000 1.802 5 A CA 0.833 52.784 52.037 -0.144 0.000 0.727 5 A CB -1.794 17.143 19.000 -0.106 0.000 1.362 5 A HN 0.850 nan 8.150 nan 0.000 0.396 6 I N 0.541 120.996 120.570 -0.191 0.000 2.307 6 I HA 0.292 4.462 4.170 -0.000 0.000 0.289 6 I C 1.215 177.176 176.117 -0.259 0.000 1.021 6 I CA 0.397 61.549 61.300 -0.246 0.000 1.224 6 I CB 1.367 39.260 38.000 -0.178 0.000 1.376 6 I HN 0.823 nan 8.210 nan 0.000 0.470 7 E N 5.158 125.133 120.200 -0.375 0.000 2.102 7 E HA 0.047 4.397 4.350 -0.000 0.000 0.190 7 E C -0.023 176.167 176.600 -0.682 0.000 0.971 7 E CA 0.696 56.800 56.400 -0.494 0.000 0.821 7 E CB 0.494 29.876 29.700 -0.530 0.000 0.777 7 E HN 0.529 nan 8.360 nan 0.000 0.460 8 H N -0.489 118.447 119.070 -0.223 0.000 2.679 8 H HA 0.360 4.916 4.556 -0.000 0.000 0.360 8 H C -1.233 173.990 175.328 -0.175 0.000 1.105 8 H CA -0.827 55.103 56.048 -0.195 0.000 1.196 8 H CB 1.700 31.329 29.762 -0.222 0.000 1.636 8 H HN 0.064 nan 8.280 nan 0.000 0.531 9 M N 2.685 122.208 119.600 -0.128 0.000 2.142 9 M HA 0.291 4.771 4.480 -0.000 0.000 0.299 9 M C -1.481 174.633 176.300 -0.309 0.000 0.960 9 M CA -0.042 55.076 55.300 -0.303 0.000 0.920 9 M CB 1.173 33.304 32.600 -0.782 0.000 1.541 9 M HN 0.521 nan 8.290 nan 0.000 0.429 10 E N 6.574 126.630 120.200 -0.240 0.000 2.260 10 E HA 0.486 4.835 4.350 -0.000 0.000 0.266 10 E C -2.705 173.740 176.600 -0.258 0.000 0.887 10 E CA -1.998 54.137 56.400 -0.441 0.000 0.777 10 E CB 2.006 31.592 29.700 -0.190 0.000 1.205 10 E HN 0.436 nan 8.360 nan 0.000 0.414 11 P HA 0.059 nan 4.420 nan 0.000 0.272 11 P C -2.143 174.885 177.300 -0.453 0.000 1.223 11 P CA -1.275 61.409 63.100 -0.693 0.000 0.784 11 P CB 0.718 32.345 31.700 -0.122 0.000 0.923 12 P HA 0.012 nan 4.420 nan 0.000 0.229 12 P C -0.065 177.108 177.300 -0.212 0.000 1.160 12 P CA 1.129 64.042 63.100 -0.312 0.000 0.777 12 P CB -0.054 31.487 31.700 -0.265 0.000 0.814 13 F N -4.745 115.090 119.950 -0.191 0.000 2.817 13 F HA 0.682 5.209 4.527 -0.000 0.000 0.317 13 F C -0.983 174.877 175.800 0.100 0.000 1.168 13 F CA -1.566 56.148 58.000 -0.477 0.000 0.911 13 F CB 0.555 39.283 39.000 -0.453 0.000 1.337 13 F HN -0.165 nan 8.300 nan 0.000 0.464 14 W N 0.276 121.554 121.300 -0.037 0.000 3.483 14 W HA 0.533 5.193 4.660 -0.000 0.000 0.378 14 W C -1.889 174.465 176.519 -0.275 0.000 1.097 14 W CA -0.918 56.429 57.345 0.002 0.000 1.075 14 W CB 1.876 31.591 29.460 0.426 0.000 1.534 14 W HN 0.563 nan 8.180 nan 0.000 0.610 15 W N 1.433 122.776 121.300 0.071 0.000 2.936 15 W HA 0.546 5.206 4.660 -0.000 0.000 0.338 15 W C -0.217 176.405 176.519 0.173 0.000 1.121 15 W CA -0.885 56.483 57.345 0.040 0.000 1.209 15 W CB 1.449 30.817 29.460 -0.152 0.000 1.420 15 W HN 0.360 nan 8.180 nan 0.000 0.516 16 A N 0.769 123.810 122.820 0.368 0.000 2.407 16 A HA 0.542 4.862 4.320 -0.000 0.000 0.248 16 A C 0.970 178.704 177.584 0.250 0.000 1.082 16 A CA 0.929 53.150 52.037 0.306 0.000 0.785 16 A CB -0.110 19.043 19.000 0.254 0.000 1.020 16 A HN 1.527 nan 8.150 nan 0.000 0.489 17 G N 0.854 109.776 108.800 0.203 0.000 2.160 17 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.244 17 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.244 17 G C 0.167 175.125 174.900 0.098 0.000 1.022 17 G CA 0.341 45.520 45.100 0.133 0.000 0.741 17 G HN 0.568 nan 8.290 nan 0.000 0.508 18 M N -0.664 119.021 119.600 0.141 0.000 2.202 18 M HA 0.296 4.776 4.480 -0.000 0.000 0.316 18 M C 1.528 177.877 176.300 0.081 0.000 1.138 18 M CA -0.214 55.139 55.300 0.088 0.000 1.151 18 M CB 0.665 33.384 32.600 0.198 0.000 1.422 18 M HN 0.223 nan 8.290 nan 0.000 0.471 19 Q N 0.939 120.753 119.800 0.024 0.000 2.016 19 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 19 Q C 0.169 176.228 176.000 0.098 0.000 0.978 19 Q CA 1.702 57.519 55.803 0.023 0.000 0.833 19 Q CB -0.148 28.561 28.738 -0.048 0.000 0.895 19 Q HN 0.640 nan 8.270 nan 0.000 0.427 20 H N 0.359 119.465 119.070 0.061 0.000 2.620 20 H HA 0.157 4.713 4.556 0.000 0.000 0.313 20 H C 0.427 175.845 175.328 0.150 0.000 1.075 20 H CA -0.275 55.826 56.048 0.089 0.000 1.397 20 H CB 0.806 30.625 29.762 0.096 0.000 1.446 20 H HN -0.030 nan 8.280 nan 0.000 0.493 21 K N 3.288 123.557 120.400 -0.219 0.000 2.167 21 K HA 0.076 4.396 4.320 -0.000 0.000 0.203 21 K C 1.018 177.607 176.600 -0.018 0.000 1.052 21 K CA 0.728 56.981 56.287 -0.057 0.000 0.956 21 K CB -0.221 32.232 32.500 -0.078 0.000 0.735 21 K HN 0.743 nan 8.250 nan 0.000 0.451 22 G N 1.882 110.568 108.800 -0.190 0.000 2.441 22 G HA2 0.305 4.265 3.960 -0.000 0.000 0.243 22 G HA3 0.305 4.265 3.960 -0.000 0.000 0.243 22 G C -0.870 174.107 174.900 0.129 0.000 1.281 22 G CA -0.241 44.874 45.100 0.026 0.000 0.854 22 G HN 0.139 nan 8.290 nan 0.000 0.560 23 L N 0.867 122.082 121.223 -0.014 0.000 2.438 23 L HA 0.501 4.841 4.340 -0.000 0.000 0.270 23 L C -0.461 176.332 176.870 -0.129 0.000 0.972 23 L CA -0.691 54.024 54.840 -0.208 0.000 0.831 23 L CB 2.302 44.137 42.059 -0.375 0.000 1.273 23 L HN 0.594 nan 8.230 nan 0.000 0.405 24 Q N 5.027 124.764 119.800 -0.105 0.000 2.368 24 Q HA 0.556 4.896 4.340 -0.000 0.000 0.263 24 Q C -1.641 174.372 176.000 0.023 0.000 1.009 24 Q CA -0.553 55.261 55.803 0.019 0.000 0.818 24 Q CB 1.135 29.939 28.738 0.110 0.000 1.239 24 Q HN 0.772 nan 8.270 nan 0.000 0.464 25 L N 4.374 125.600 121.223 0.005 0.000 2.305 25 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 25 L C 0.043 176.936 176.870 0.039 0.000 1.085 25 L CA -0.269 54.555 54.840 -0.026 0.000 0.813 25 L CB 1.071 43.061 42.059 -0.115 0.000 1.157 25 L HN 0.639 nan 8.230 nan 0.000 0.436 26 M N 4.760 124.380 119.600 0.034 0.000 2.061 26 M HA 0.434 4.914 4.480 -0.000 0.000 0.346 26 M C -1.332 174.892 176.300 -0.126 0.000 1.112 26 M CA -0.497 54.716 55.300 -0.145 0.000 1.021 26 M CB 1.032 33.727 32.600 0.158 0.000 1.530 26 M HN 0.305 nan 8.290 nan 0.000 0.437 27 V N 5.086 124.854 119.914 -0.243 0.000 2.459 27 V HA 0.456 4.576 4.120 -0.000 0.000 0.295 27 V C -0.429 175.575 176.094 -0.149 0.000 1.029 27 V CA -0.680 61.495 62.300 -0.209 0.000 0.874 27 V CB 1.458 33.081 31.823 -0.332 0.000 0.985 27 V HN 0.793 nan 8.190 nan 0.000 0.438 28 H N 2.865 121.800 119.070 -0.225 0.000 2.589 28 H HA 0.783 5.339 4.556 -0.000 0.000 0.351 28 H C -0.375 174.750 175.328 -0.338 0.000 1.074 28 H CA 0.092 55.944 56.048 -0.326 0.000 1.203 28 H CB 2.250 31.938 29.762 -0.123 0.000 1.558 28 H HN 0.921 nan 8.280 nan 0.000 0.522 29 G N 3.629 111.916 108.800 -0.855 0.000 2.355 29 G HA2 0.099 4.059 3.960 -0.000 0.000 0.296 29 G HA3 0.099 4.059 3.960 -0.000 0.000 0.296 29 G C -1.435 173.162 174.900 -0.505 0.000 1.507 29 G CA -1.174 43.495 45.100 -0.718 0.000 0.823 29 G HN 0.720 nan 8.290 nan 0.000 0.569 30 R N 0.971 121.251 120.500 -0.366 0.000 2.480 30 R HA 0.233 4.573 4.340 -0.000 0.000 0.303 30 R C 0.005 176.200 176.300 -0.176 0.000 0.985 30 R CA 1.038 57.003 56.100 -0.225 0.000 1.051 30 R CB -0.122 30.083 30.300 -0.157 0.000 0.935 30 R HN 0.587 nan 8.270 nan 0.000 0.410 31 D N 3.079 123.399 120.400 -0.134 0.000 2.983 31 D HA -0.259 4.381 4.640 -0.000 0.000 0.225 31 D C 0.766 177.005 176.300 -0.102 0.000 1.174 31 D CA 1.126 55.073 54.000 -0.088 0.000 0.831 31 D CB -0.786 39.979 40.800 -0.058 0.000 1.104 31 D HN 0.595 nan 8.370 nan 0.000 0.421 32 I N 0.559 121.028 120.570 -0.169 0.000 2.361 32 I HA -0.080 4.090 4.170 -0.000 0.000 0.251 32 I C 2.435 178.486 176.117 -0.110 0.000 1.133 32 I CA 2.131 63.308 61.300 -0.206 0.000 1.413 32 I CB -0.094 37.689 38.000 -0.361 0.000 1.073 32 I HN 0.181 nan 8.210 nan 0.000 0.424 33 G N 0.150 108.915 108.800 -0.059 0.000 2.470 33 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 33 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 33 G C 1.633 176.552 174.900 0.031 0.000 1.121 33 G CA 0.238 45.347 45.100 0.016 0.000 0.766 33 G HN 0.381 nan 8.290 nan 0.000 0.553 34 R N -0.420 120.088 120.500 0.012 0.000 2.323 34 R HA 0.233 4.573 4.340 -0.000 0.000 0.198 34 R C 0.615 176.938 176.300 0.037 0.000 0.988 34 R CA 0.173 56.287 56.100 0.023 0.000 1.041 34 R CB -0.097 30.208 30.300 0.010 0.000 0.926 34 R HN 0.387 nan 8.270 nan 0.000 0.476 35 M N 0.166 119.797 119.600 0.052 0.000 2.706 35 M HA 0.289 4.769 4.480 -0.000 0.000 0.304 35 M C -0.197 176.181 176.300 0.130 0.000 1.217 35 M CA -0.608 54.749 55.300 0.095 0.000 0.922 35 M CB 1.842 34.518 32.600 0.128 0.000 1.637 35 M HN -0.144 nan 8.290 nan 0.000 0.492 36 E N 0.952 121.233 120.200 0.135 0.000 2.176 36 E HA 0.618 4.968 4.350 -0.000 0.000 0.267 36 E C -1.553 175.107 176.600 0.100 0.000 0.893 36 E CA -0.533 55.933 56.400 0.110 0.000 0.761 36 E CB 1.893 31.631 29.700 0.062 0.000 1.133 36 E HN 0.778 nan 8.360 nan 0.000 0.409 37 A N 2.918 125.780 122.820 0.071 0.000 2.286 37 A HA 0.804 5.124 4.320 -0.000 0.000 0.286 37 A C -0.671 176.835 177.584 -0.130 0.000 1.097 37 A CA 0.116 52.068 52.037 -0.143 0.000 0.821 37 A CB 1.124 20.032 19.000 -0.154 0.000 1.076 37 A HN 0.677 nan 8.150 nan 0.000 0.490 38 A N 0.403 123.101 122.820 -0.204 0.000 2.589 38 A HA 0.705 5.025 4.320 -0.000 0.000 0.296 38 A C -1.056 176.472 177.584 -0.092 0.000 1.062 38 A CA -0.263 51.711 52.037 -0.105 0.000 0.686 38 A CB 0.932 19.893 19.000 -0.065 0.000 1.282 38 A HN 2.190 nan 8.150 nan 0.000 0.404 39 L N -1.388 119.817 121.223 -0.031 0.000 2.568 39 L HA 0.996 5.336 4.340 -0.000 0.000 0.257 39 L C -1.166 175.711 176.870 0.012 0.000 1.024 39 L CA -0.555 54.304 54.840 0.032 0.000 0.854 39 L CB 2.139 44.257 42.059 0.099 0.000 1.460 39 L HN 0.537 nan 8.230 nan 0.000 0.409 40 D N -0.003 120.423 120.400 0.044 0.000 2.375 40 D HA 0.521 5.161 4.640 -0.000 0.000 0.241 40 D C -2.137 174.198 176.300 0.059 0.000 1.361 40 D CA 0.109 54.121 54.000 0.020 0.000 0.995 40 D CB 0.981 41.799 40.800 0.030 0.000 1.312 40 D HN 0.679 nan 8.370 nan 0.000 0.576 41 Y N 3.077 123.238 120.300 -0.232 0.000 2.399 41 Y HA 0.442 4.992 4.550 0.000 0.000 0.327 41 Y C -2.645 173.130 175.900 -0.208 0.000 1.111 41 Y CA -2.011 55.927 58.100 -0.270 0.000 1.047 41 Y CB 1.982 40.042 38.460 -0.667 0.000 1.259 41 Y HN 0.202 nan 8.280 nan 0.000 0.434 42 P HA 0.255 nan 4.420 nan 0.000 0.263 42 P C 0.573 177.729 177.300 -0.241 0.000 1.195 42 P CA 2.013 64.919 63.100 -0.324 0.000 0.762 42 P CB 0.722 32.215 31.700 -0.344 0.000 0.799 43 G N 1.480 110.215 108.800 -0.108 0.000 2.241 43 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 43 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 43 G C -0.023 174.881 174.900 0.007 0.000 0.998 43 G CA -0.108 44.974 45.100 -0.031 0.000 0.621 43 G HN 0.539 nan 8.290 nan 0.000 0.519 44 V N 1.755 121.661 119.914 -0.014 0.000 2.370 44 V HA 0.648 4.768 4.120 -0.000 0.000 0.279 44 V C 0.581 176.634 176.094 -0.069 0.000 1.029 44 V CA -0.526 61.747 62.300 -0.045 0.000 0.870 44 V CB 1.506 33.214 31.823 -0.191 0.000 0.984 44 V HN 0.483 nan 8.190 nan 0.000 0.451 45 R N 4.959 125.436 120.500 -0.039 0.000 2.387 45 R HA 0.465 4.805 4.340 -0.000 0.000 0.314 45 R C -1.063 175.221 176.300 -0.027 0.000 0.958 45 R CA -0.777 55.303 56.100 -0.034 0.000 0.846 45 R CB 1.234 31.521 30.300 -0.022 0.000 1.147 45 R HN 0.611 nan 8.270 nan 0.000 0.447 46 L N 7.113 128.320 121.223 -0.027 0.000 2.315 46 L HA 0.118 4.458 4.340 -0.000 0.000 0.283 46 L C 0.672 177.540 176.870 -0.003 0.000 1.089 46 L CA 0.418 55.249 54.840 -0.014 0.000 0.833 46 L CB 1.467 43.515 42.059 -0.019 0.000 1.170 46 L HN 0.713 nan 8.230 nan 0.000 0.442 47 V N 4.189 124.107 119.914 0.007 0.000 2.307 47 V HA -0.094 4.026 4.120 -0.000 0.000 0.245 47 V C 0.850 176.955 176.094 0.018 0.000 1.045 47 V CA 1.401 63.709 62.300 0.012 0.000 1.024 47 V CB -0.464 31.370 31.823 0.018 0.000 0.651 47 V HN 1.099 nan 8.190 nan 0.000 0.449 48 S N -1.926 113.790 115.700 0.028 0.000 2.707 48 S HA -0.020 4.450 4.470 -0.000 0.000 0.850 48 S C -2.848 171.780 174.600 0.047 0.000 0.806 48 S CA -1.227 56.993 58.200 0.033 0.000 1.560 48 S CB -1.700 61.514 63.200 0.023 0.000 1.124 48 S HN 0.226 nan 8.310 nan 0.000 0.215 49 P HA 0.297 nan 4.420 nan 0.000 0.265 49 P C -0.294 177.047 177.300 0.067 0.000 1.187 49 P CA 0.195 63.343 63.100 0.080 0.000 0.766 49 P CB 0.291 32.041 31.700 0.083 0.000 0.820 50 T N 2.672 117.273 114.554 0.079 0.000 2.893 50 T HA 0.372 4.722 4.350 -0.000 0.000 0.324 50 T C 0.191 174.942 174.700 0.086 0.000 1.082 50 T CA -0.876 61.260 62.100 0.060 0.000 0.983 50 T CB 0.361 69.248 68.868 0.033 0.000 1.005 50 T HN 0.377 nan 8.240 nan 0.000 0.475 51 R N 1.757 122.305 120.500 0.080 0.000 2.694 51 R HA 0.526 4.866 4.340 -0.000 0.000 0.268 51 R C -0.152 176.207 176.300 0.097 0.000 1.061 51 R CA -0.687 55.473 56.100 0.100 0.000 1.133 51 R CB 0.126 30.472 30.300 0.078 0.000 1.020 51 R HN 0.384 nan 8.270 nan 0.000 0.475 52 V N -0.830 119.164 119.914 0.135 0.000 2.581 52 V HA 0.444 4.564 4.120 -0.000 0.000 0.303 52 V C -2.003 174.148 176.094 0.095 0.000 1.041 52 V CA -2.408 59.960 62.300 0.113 0.000 0.907 52 V CB 1.685 33.612 31.823 0.173 0.000 0.994 52 V HN 0.704 nan 8.190 nan 0.000 0.442 53 P HA -0.144 nan 4.420 nan 0.000 0.217 53 P C 0.502 177.846 177.300 0.073 0.000 1.148 53 P CA 1.226 64.361 63.100 0.057 0.000 0.834 53 P CB -0.047 31.677 31.700 0.040 0.000 0.783 54 N N 0.017 118.775 118.700 0.096 0.000 2.416 54 N HA 0.089 4.829 4.740 -0.000 0.000 0.265 54 N C 0.958 176.556 175.510 0.147 0.000 1.195 54 N CA 0.214 53.347 53.050 0.138 0.000 0.943 54 N CB 0.588 39.194 38.487 0.199 0.000 1.115 54 N HN -0.092 nan 8.380 nan 0.000 0.481 55 A N 4.014 126.890 122.820 0.093 0.000 2.216 55 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 55 A C 1.225 178.814 177.584 0.008 0.000 1.160 55 A CA 0.765 52.831 52.037 0.049 0.000 0.725 55 A CB -0.074 18.942 19.000 0.026 0.000 0.784 55 A HN 0.678 nan 8.150 nan 0.000 0.472 56 N N -1.328 117.387 118.700 0.025 0.000 2.280 56 N HA 0.164 4.904 4.740 -0.000 0.000 0.192 56 N C -1.031 174.265 175.510 -0.357 0.000 1.109 56 N CA 0.390 53.343 53.050 -0.161 0.000 0.855 56 N CB 0.100 38.489 38.487 -0.163 0.000 0.974 56 N HN 0.567 nan 8.380 nan 0.000 0.482 57 Y N -0.272 120.011 120.300 -0.028 0.000 2.477 57 Y HA 0.547 5.097 4.550 -0.000 0.000 0.347 57 Y C -0.633 175.178 175.900 -0.148 0.000 0.981 57 Y CA -1.158 56.869 58.100 -0.123 0.000 1.033 57 Y CB 2.091 40.443 38.460 -0.180 0.000 1.245 57 Y HN -0.231 nan 8.280 nan 0.000 0.455 58 L N 3.124 124.273 121.223 -0.122 0.000 2.436 58 L HA 0.640 4.980 4.340 -0.000 0.000 0.268 58 L C -2.009 174.730 176.870 -0.218 0.000 0.974 58 L CA -0.717 54.085 54.840 -0.064 0.000 0.826 58 L CB 0.960 42.994 42.059 -0.041 0.000 1.291 58 L HN 0.442 nan 8.230 nan 0.000 0.406 59 F N 4.751 124.759 119.950 0.096 0.000 2.404 59 F HA 0.571 5.098 4.527 -0.000 0.000 0.354 59 F C 0.015 175.865 175.800 0.083 0.000 1.122 59 F CA -0.657 57.398 58.000 0.091 0.000 1.080 59 F CB 1.674 40.725 39.000 0.085 0.000 1.131 59 F HN 0.091 nan 8.300 nan 0.000 0.471 60 V N 3.495 123.525 119.914 0.194 0.000 2.347 60 V HA 0.257 4.377 4.120 -0.000 0.000 0.280 60 V C -0.569 175.580 176.094 0.091 0.000 1.021 60 V CA -0.929 61.451 62.300 0.134 0.000 0.847 60 V CB 1.235 33.126 31.823 0.113 0.000 0.990 60 V HN 0.536 nan 8.190 nan 0.000 0.444 61 D N 5.465 125.913 120.400 0.080 0.000 2.347 61 D HA 0.486 5.126 4.640 -0.000 0.000 0.235 61 D C -0.482 175.828 176.300 0.017 0.000 1.149 61 D CA -0.202 53.828 54.000 0.050 0.000 0.850 61 D CB 2.021 42.855 40.800 0.057 0.000 1.061 61 D HN 0.175 nan 8.370 nan 0.000 0.487 62 L N 2.283 123.501 121.223 -0.007 0.000 2.331 62 L HA 0.312 4.652 4.340 -0.000 0.000 0.275 62 L C 0.522 177.390 176.870 -0.002 0.000 1.022 62 L CA -0.573 54.258 54.840 -0.014 0.000 0.812 62 L CB 1.375 43.413 42.059 -0.035 0.000 1.257 62 L HN 0.099 nan 8.230 nan 0.000 0.435 63 E N 3.397 123.598 120.200 0.001 0.000 2.155 63 E HA 0.419 4.769 4.350 -0.000 0.000 0.264 63 E C -0.913 175.705 176.600 0.029 0.000 0.886 63 E CA -0.201 56.203 56.400 0.005 0.000 0.752 63 E CB 2.124 31.818 29.700 -0.011 0.000 1.133 63 E HN 0.416 nan 8.360 nan 0.000 0.414 64 I N 2.405 123.018 120.570 0.072 0.000 2.287 64 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 64 I C 1.063 177.242 176.117 0.104 0.000 1.069 64 I CA -0.519 60.855 61.300 0.125 0.000 1.237 64 I CB 1.072 39.215 38.000 0.238 0.000 1.418 64 I HN 0.368 nan 8.210 nan 0.000 0.481 65 G N 6.996 115.838 108.800 0.070 0.000 2.636 65 G HA2 0.182 4.141 3.960 -0.000 0.000 0.246 65 G HA3 0.182 4.141 3.960 -0.000 0.000 0.246 65 G C -1.352 173.590 174.900 0.069 0.000 1.216 65 G CA -0.879 44.250 45.100 0.049 0.000 0.854 65 G HN 0.441 nan 8.290 nan 0.000 0.572 66 P HA -0.092 nan 4.420 nan 0.000 0.225 66 P C 1.299 178.632 177.300 0.054 0.000 1.148 66 P CA 1.019 64.153 63.100 0.056 0.000 0.779 66 P CB 0.280 32.001 31.700 0.035 0.000 0.780 67 E N 0.418 120.641 120.200 0.039 0.000 2.371 67 E HA 0.011 4.361 4.350 -0.000 0.000 0.194 67 E C 0.687 177.307 176.600 0.033 0.000 1.012 67 E CA 0.035 56.450 56.400 0.024 0.000 0.860 67 E CB -0.755 28.945 29.700 -0.000 0.000 0.811 67 E HN 0.039 nan 8.360 nan 0.000 0.502 68 A N 2.259 125.122 122.820 0.072 0.000 2.524 68 A HA 0.092 4.412 4.320 -0.000 0.000 0.250 68 A C 0.175 177.866 177.584 0.179 0.000 1.078 68 A CA -0.139 51.978 52.037 0.133 0.000 0.761 68 A CB 0.251 19.383 19.000 0.220 0.000 1.012 68 A HN 0.116 nan 8.150 nan 0.000 0.500 69 Q N 1.522 121.437 119.800 0.192 0.000 2.205 69 Q HA 0.442 4.782 4.340 -0.000 0.000 0.249 69 Q C -2.444 173.747 176.000 0.318 0.000 0.948 69 Q CA -2.159 53.762 55.803 0.197 0.000 0.895 69 Q CB 0.332 29.136 28.738 0.110 0.000 1.249 69 Q HN 0.468 nan 8.270 nan 0.000 0.458 70 P HA 0.255 nan 4.420 nan 0.000 0.266 70 P C -0.257 177.201 177.300 0.262 0.000 1.195 70 P CA 0.432 63.663 63.100 0.218 0.000 0.768 70 P CB 0.495 32.282 31.700 0.144 0.000 0.838 71 G N 0.441 109.365 108.800 0.206 0.000 2.344 71 G HA2 0.477 4.437 3.960 -0.000 0.000 0.282 71 G HA3 0.477 4.437 3.960 -0.000 0.000 0.282 71 G C -1.474 173.440 174.900 0.024 0.000 1.281 71 G CA -0.096 45.118 45.100 0.191 0.000 0.877 71 G HN 0.688 nan 8.290 nan 0.000 0.494 72 S N -1.208 114.500 115.700 0.012 0.000 2.588 72 S HA 0.936 5.406 4.470 -0.000 0.000 0.275 72 S C -1.012 173.588 174.600 0.001 0.000 1.130 72 S CA -0.402 57.725 58.200 -0.121 0.000 0.855 72 S CB 2.135 65.253 63.200 -0.137 0.000 1.116 72 S HN 2.132 nan 8.310 nan 0.000 0.472 73 F N -1.425 118.447 119.950 -0.130 0.000 2.678 73 F HA 0.662 5.189 4.527 0.000 0.000 0.308 73 F C -1.564 174.252 175.800 0.026 0.000 1.118 73 F CA -1.028 56.947 58.000 -0.042 0.000 0.959 73 F CB 0.571 39.518 39.000 -0.089 0.000 1.305 73 F HN 0.387 nan 8.300 nan 0.000 0.443 74 D N 2.906 123.415 120.400 0.183 0.000 2.308 74 D HA 0.413 5.053 4.640 -0.000 0.000 0.251 74 D C -0.076 176.312 176.300 0.147 0.000 1.127 74 D CA 0.240 54.298 54.000 0.098 0.000 0.876 74 D CB 1.784 42.624 40.800 0.068 0.000 1.176 74 D HN 0.533 nan 8.370 nan 0.000 0.446 75 I N 2.115 122.726 120.570 0.068 0.000 2.315 75 I HA 0.188 4.358 4.170 -0.000 0.000 0.291 75 I C -0.163 175.762 176.117 -0.319 0.000 1.006 75 I CA -0.814 60.417 61.300 -0.115 0.000 1.265 75 I CB 1.375 39.288 38.000 -0.145 0.000 1.387 75 I HN -0.112 nan 8.210 nan 0.000 0.475 76 V N 7.037 126.715 119.914 -0.394 0.000 2.417 76 V HA 0.408 4.528 4.120 -0.000 0.000 0.291 76 V C -0.499 175.335 176.094 -0.433 0.000 1.024 76 V CA -0.550 61.583 62.300 -0.279 0.000 0.861 76 V CB 1.273 33.046 31.823 -0.083 0.000 0.985 76 V HN 0.367 nan 8.190 nan 0.000 0.436 77 F N 3.460 123.429 119.950 0.032 0.000 2.427 77 F HA 0.637 5.164 4.527 0.000 0.000 0.346 77 F C 0.404 176.211 175.800 0.011 0.000 1.120 77 F CA -0.597 57.413 58.000 0.017 0.000 1.033 77 F CB 1.460 40.462 39.000 0.003 0.000 1.126 77 F HN 0.257 nan 8.300 nan 0.000 0.462 78 K N 2.008 122.499 120.400 0.153 0.000 2.371 78 K HA 0.861 5.181 4.320 -0.000 0.000 0.251 78 K C -0.509 176.137 176.600 0.078 0.000 0.934 78 K CA -1.115 55.227 56.287 0.091 0.000 0.798 78 K CB 2.605 35.136 32.500 0.051 0.000 1.204 78 K HN 0.890 nan 8.250 nan 0.000 0.427 79 G N 1.281 110.115 108.800 0.056 0.000 2.402 79 G HA2 0.150 4.110 3.960 -0.000 0.000 0.301 79 G HA3 0.150 4.110 3.960 -0.000 0.000 0.301 79 G C -1.358 173.558 174.900 0.028 0.000 1.615 79 G CA -0.874 44.251 45.100 0.041 0.000 0.889 79 G HN 0.627 nan 8.290 nan 0.000 0.647 80 D N -0.306 120.107 120.400 0.021 0.000 2.689 80 D HA -0.179 4.461 4.640 -0.000 0.000 0.237 80 D C 1.708 178.015 176.300 0.012 0.000 1.148 80 D CA 2.678 56.686 54.000 0.013 0.000 0.656 80 D CB -1.205 39.600 40.800 0.008 0.000 1.050 80 D HN 2.298 nan 8.370 nan 0.000 0.426 81 G N -0.004 108.805 108.800 0.014 0.000 2.270 81 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.268 81 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.268 81 G C 0.481 175.389 174.900 0.013 0.000 0.982 81 G CA 1.243 46.351 45.100 0.012 0.000 0.628 81 G HN 0.829 nan 8.290 nan 0.000 0.544 82 R N -0.519 119.991 120.500 0.015 0.000 2.691 82 R HA 0.786 5.126 4.340 -0.000 0.000 0.259 82 R C -0.199 176.121 176.300 0.033 0.000 1.048 82 R CA 0.010 56.120 56.100 0.017 0.000 1.086 82 R CB 1.732 32.036 30.300 0.008 0.000 1.166 82 R HN 0.826 nan 8.270 nan 0.000 0.526 83 S N 0.206 115.930 115.700 0.040 0.000 2.546 83 S HA 0.390 4.860 4.470 -0.000 0.000 0.272 83 S C -1.153 173.498 174.600 0.084 0.000 1.140 83 S CA -1.003 57.238 58.200 0.068 0.000 0.920 83 S CB 2.125 65.358 63.200 0.055 0.000 1.083 83 S HN 0.666 nan 8.310 nan 0.000 0.476 84 E N 1.850 122.142 120.200 0.154 0.000 2.281 84 E HA 0.560 4.910 4.350 -0.000 0.000 0.262 84 E C -0.640 176.138 176.600 0.296 0.000 0.933 84 E CA -0.850 55.660 56.400 0.183 0.000 0.809 84 E CB 2.158 31.937 29.700 0.132 0.000 1.242 84 E HN 0.751 nan 8.360 nan 0.000 0.418 85 R N 1.109 121.762 120.500 0.255 0.000 2.698 85 R HA 0.424 4.764 4.340 -0.000 0.000 0.275 85 R C -1.877 174.600 176.300 0.294 0.000 1.001 85 R CA -0.630 55.610 56.100 0.232 0.000 0.896 85 R CB 1.535 31.895 30.300 0.100 0.000 1.218 85 R HN 0.632 nan 8.270 nan 0.000 0.462 86 Y N 2.367 122.763 120.300 0.161 0.000 2.386 86 Y HA 0.381 4.931 4.550 -0.000 0.000 0.334 86 Y C -1.024 174.894 175.900 0.030 0.000 1.002 86 Y CA -0.995 57.174 58.100 0.116 0.000 1.068 86 Y CB 1.396 39.988 38.460 0.219 0.000 1.203 86 Y HN 0.637 nan 8.280 nan 0.000 0.443 87 R N 4.931 125.182 120.500 -0.416 0.000 2.248 87 R HA 0.214 4.554 4.340 -0.000 0.000 0.337 87 R C -2.112 173.957 176.300 -0.386 0.000 1.085 87 R CA -0.047 55.851 56.100 -0.337 0.000 0.934 87 R CB -0.549 29.553 30.300 -0.330 0.000 1.034 87 R HN 0.664 nan 8.270 nan 0.000 0.465 88 Y N 3.577 123.635 120.300 -0.404 0.000 2.326 88 Y HA 0.372 4.922 4.550 0.000 0.000 0.337 88 Y C 0.080 175.620 175.900 -0.599 0.000 1.023 88 Y CA -0.427 57.406 58.100 -0.444 0.000 1.143 88 Y CB 0.770 38.827 38.460 -0.672 0.000 1.183 88 Y HN 0.500 nan 8.280 nan 0.000 0.485 89 R N 6.110 126.254 120.500 -0.593 0.000 2.393 89 R HA 0.527 4.867 4.340 -0.000 0.000 0.310 89 R C -1.732 174.481 176.300 -0.145 0.000 0.968 89 R CA -0.598 55.301 56.100 -0.334 0.000 0.867 89 R CB 0.695 30.794 30.300 -0.335 0.000 1.124 89 R HN 0.766 nan 8.270 nan 0.000 0.450 90 L N 6.268 127.492 121.223 0.001 0.000 2.276 90 L HA 0.322 4.662 4.340 -0.000 0.000 0.286 90 L C -0.727 176.145 176.870 0.003 0.000 1.024 90 L CA -0.954 53.958 54.840 0.120 0.000 0.826 90 L CB 1.128 43.363 42.059 0.294 0.000 1.211 90 L HN 0.445 nan 8.230 nan 0.000 0.422 91 L N 2.774 123.891 121.223 -0.176 0.000 2.453 91 L HA 0.441 4.781 4.340 -0.000 0.000 0.261 91 L C 0.747 177.688 176.870 0.118 0.000 1.179 91 L CA 0.226 54.981 54.840 -0.142 0.000 0.813 91 L CB 0.697 42.533 42.059 -0.371 0.000 1.110 91 L HN 0.595 nan 8.230 nan 0.000 0.466 92 A N 2.302 125.211 122.820 0.147 0.000 2.401 92 A HA 0.471 4.791 4.320 -0.000 0.000 0.259 92 A C 0.206 177.959 177.584 0.283 0.000 1.103 92 A CA -0.473 51.679 52.037 0.193 0.000 0.789 92 A CB 0.006 19.078 19.000 0.120 0.000 1.035 92 A HN 0.677 nan 8.150 nan 0.000 0.491 93 R N 2.022 122.670 120.500 0.246 0.000 2.490 93 R HA 0.204 4.544 4.340 -0.000 0.000 0.280 93 R C -0.283 176.068 176.300 0.085 0.000 1.077 93 R CA -0.569 55.625 56.100 0.157 0.000 1.065 93 R CB 0.608 30.941 30.300 0.055 0.000 1.003 93 R HN 0.691 nan 8.270 nan 0.000 0.470 94 E N 2.594 122.824 120.200 0.050 0.000 2.437 94 E HA -0.091 4.259 4.350 -0.000 0.000 0.263 94 E C 0.034 176.640 176.600 0.011 0.000 1.030 94 E CA 0.307 56.721 56.400 0.024 0.000 0.934 94 E CB 0.442 30.141 29.700 -0.001 0.000 0.943 94 E HN 0.274 nan 8.360 nan 0.000 0.444 95 Q N 0.135 119.942 119.800 0.010 0.000 2.274 95 Q HA 0.146 4.486 4.340 -0.000 0.000 0.280 95 Q C 1.003 177.001 176.000 -0.002 0.000 1.047 95 Q CA 0.974 56.781 55.803 0.006 0.000 0.907 95 Q CB 0.687 29.429 28.738 0.006 0.000 1.171 95 Q HN 0.863 nan 8.270 nan 0.000 0.381 96 G N 2.163 110.962 108.800 -0.001 0.000 2.159 96 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.256 96 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.256 96 G C 1.086 175.985 174.900 -0.001 0.000 0.977 96 G CA 0.800 45.898 45.100 -0.003 0.000 0.652 96 G HN 0.595 nan 8.290 nan 0.000 0.531 97 S N 0.300 115.999 115.700 -0.002 0.000 2.359 97 S HA -0.009 4.461 4.470 -0.000 0.000 0.222 97 S C 2.863 177.514 174.600 0.085 0.000 1.038 97 S CA 2.425 60.629 58.200 0.006 0.000 1.051 97 S CB -0.468 62.715 63.200 -0.028 0.000 0.944 97 S HN 1.746 nan 8.310 nan 0.000 0.433 98 A N 0.098 122.950 122.820 0.054 0.000 1.972 98 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 98 A C 2.062 179.698 177.584 0.086 0.000 1.169 98 A CA 1.878 53.947 52.037 0.053 0.000 0.635 98 A CB -0.720 18.245 19.000 -0.057 0.000 0.810 98 A HN 0.614 nan 8.150 nan 0.000 0.446 99 Q N 0.154 119.979 119.800 0.042 0.000 2.403 99 Q HA 0.027 4.367 4.340 -0.000 0.000 0.203 99 Q C 0.638 176.648 176.000 0.016 0.000 0.932 99 Q CA -0.122 55.695 55.803 0.023 0.000 0.945 99 Q CB -0.342 28.398 28.738 0.004 0.000 1.045 99 Q HN 0.737 nan 8.270 nan 0.000 0.511 100 R N 0.211 120.726 120.500 0.025 0.000 2.566 100 R HA -0.051 4.289 4.340 -0.000 0.000 0.273 100 R C -0.278 176.003 176.300 -0.033 0.000 0.981 100 R CA -0.100 55.988 56.100 -0.020 0.000 1.091 100 R CB 0.154 30.416 30.300 -0.062 0.000 0.924 100 R HN -0.091 nan 8.270 nan 0.000 0.411 101 Q N 2.656 122.431 119.800 -0.042 0.000 2.295 101 Q HA 0.270 4.610 4.340 -0.000 0.000 0.259 101 Q C -0.212 175.747 176.000 -0.067 0.000 0.976 101 Q CA 0.267 56.039 55.803 -0.052 0.000 0.923 101 Q CB 1.421 30.133 28.738 -0.045 0.000 1.185 101 Q HN 0.791 nan 8.270 nan 0.000 0.410 102 G N 3.071 111.805 108.800 -0.111 0.000 2.634 102 G HA2 0.325 4.285 3.960 -0.000 0.000 0.255 102 G HA3 0.325 4.285 3.960 -0.000 0.000 0.255 102 G C -0.584 174.228 174.900 -0.147 0.000 1.205 102 G CA -0.610 44.385 45.100 -0.174 0.000 0.884 102 G HN 0.742 nan 8.290 nan 0.000 0.549 103 F N -0.338 119.577 119.950 -0.057 0.000 2.553 103 F HA 0.568 5.095 4.527 0.000 0.000 0.356 103 F C 0.608 176.370 175.800 -0.063 0.000 1.142 103 F CA -0.451 57.516 58.000 -0.055 0.000 1.322 103 F CB 0.378 39.355 39.000 -0.040 0.000 1.126 103 F HN 0.625 nan 8.300 nan 0.000 0.599 104 G N 1.717 110.559 108.800 0.070 0.000 2.870 104 G HA2 0.492 4.452 3.960 -0.000 0.000 0.299 104 G HA3 0.492 4.452 3.960 -0.000 0.000 0.299 104 G C -2.698 172.191 174.900 -0.018 0.000 1.324 104 G CA -1.288 43.799 45.100 -0.023 0.000 0.808 104 G HN 0.276 nan 8.290 nan 0.000 0.535 105 P HA -0.048 nan 4.420 nan 0.000 0.217 105 P C 1.798 178.949 177.300 -0.248 0.000 1.148 105 P CA 1.875 64.924 63.100 -0.085 0.000 0.834 105 P CB 0.127 31.798 31.700 -0.048 0.000 0.783 106 G N -1.656 106.875 108.800 -0.448 0.000 2.744 106 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.211 106 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.211 106 G C 0.407 175.016 174.900 -0.485 0.000 1.143 106 G CA 0.099 44.598 45.100 -1.002 0.000 0.788 106 G HN 0.224 nan 8.290 nan 0.000 0.534 107 D N 0.149 120.428 120.400 -0.201 0.000 2.340 107 D HA 0.566 5.206 4.640 -0.000 0.000 0.251 107 D C -0.236 176.065 176.300 0.003 0.000 1.080 107 D CA 0.086 54.054 54.000 -0.053 0.000 0.971 107 D CB 1.932 42.765 40.800 0.055 0.000 1.137 107 D HN 0.111 nan 8.370 nan 0.000 0.475 108 A N 1.395 124.258 122.820 0.072 0.000 2.398 108 A HA 0.575 4.895 4.320 -0.000 0.000 0.301 108 A C -0.679 177.138 177.584 0.389 0.000 1.041 108 A CA -0.628 51.531 52.037 0.202 0.000 0.711 108 A CB 0.815 19.868 19.000 0.089 0.000 1.240 108 A HN 0.470 nan 8.150 nan 0.000 0.420 109 I N 1.956 122.743 120.570 0.361 0.000 2.359 109 I HA 0.262 4.432 4.170 -0.000 0.000 0.294 109 I C -0.881 175.366 176.117 0.217 0.000 0.987 109 I CA -0.523 60.920 61.300 0.238 0.000 1.225 109 I CB 1.340 39.379 38.000 0.065 0.000 1.366 109 I HN 0.716 nan 8.210 nan 0.000 0.466 110 Y N 6.406 126.633 120.300 -0.122 0.000 2.335 110 Y HA 0.300 4.850 4.550 -0.000 0.000 0.339 110 Y C -0.095 175.662 175.900 -0.238 0.000 0.987 110 Y CA -0.276 57.568 58.100 -0.427 0.000 1.140 110 Y CB 0.986 39.074 38.460 -0.620 0.000 1.173 110 Y HN 0.502 nan 8.280 nan 0.000 0.486 111 Q N 7.738 127.220 119.800 -0.530 0.000 2.271 111 Q HA 0.576 4.916 4.340 -0.000 0.000 0.258 111 Q C -1.156 174.417 176.000 -0.712 0.000 0.936 111 Q CA -0.785 54.661 55.803 -0.594 0.000 0.909 111 Q CB 1.103 29.471 28.738 -0.617 0.000 1.253 111 Q HN 0.863 nan 8.270 nan 0.000 0.440 112 I N -0.066 120.115 120.570 -0.648 0.000 3.002 112 I HA 0.529 4.699 4.170 -0.000 0.000 0.310 112 I C -0.896 175.004 176.117 -0.362 0.000 1.087 112 I CA -1.332 59.658 61.300 -0.517 0.000 1.017 112 I CB 2.325 39.952 38.000 -0.622 0.000 1.226 112 I HN 0.529 nan 8.210 nan 0.000 0.443 113 M N 4.207 123.731 119.600 -0.126 0.000 2.061 113 M HA 0.333 4.813 4.480 -0.000 0.000 0.346 113 M C -1.780 174.556 176.300 0.060 0.000 1.112 113 M CA -1.608 53.668 55.300 -0.040 0.000 1.021 113 M CB 1.588 34.272 32.600 0.140 0.000 1.530 113 M HN 0.439 nan 8.290 nan 0.000 0.437 114 P HA -0.211 nan 4.420 nan 0.000 0.216 114 P C 0.697 178.152 177.300 0.258 0.000 1.150 114 P CA 1.624 64.709 63.100 -0.026 0.000 0.843 114 P CB 0.125 31.535 31.700 -0.484 0.000 0.787 115 D N -0.870 119.777 120.400 0.411 0.000 2.264 115 D HA -0.129 4.511 4.640 -0.000 0.000 0.208 115 D C 1.567 178.198 176.300 0.552 0.000 0.966 115 D CA 0.834 55.163 54.000 0.549 0.000 0.864 115 D CB 0.014 41.129 40.800 0.525 0.000 0.933 115 D HN -0.090 nan 8.370 nan 0.000 0.499 116 R N -0.876 119.926 120.500 0.503 0.000 2.437 116 R HA 0.125 4.465 4.340 -0.000 0.000 0.257 116 R C 0.897 177.635 176.300 0.730 0.000 0.927 116 R CA -0.164 56.279 56.100 0.571 0.000 1.078 116 R CB -0.353 30.144 30.300 0.328 0.000 1.161 116 R HN 0.256 nan 8.270 nan 0.000 0.529 117 F N 0.874 121.068 119.950 0.406 0.000 2.202 117 F HA 0.473 5.000 4.527 -0.000 0.000 0.279 117 F C -0.054 175.905 175.800 0.265 0.000 1.077 117 F CA 0.019 58.193 58.000 0.290 0.000 1.193 117 F CB 0.169 39.235 39.000 0.111 0.000 1.090 117 F HN -0.118 nan 8.300 nan 0.000 0.516 118 A N 0.783 123.505 122.820 -0.165 0.000 2.437 118 A HA 0.426 4.746 4.320 -0.000 0.000 0.293 118 A C -1.510 175.756 177.584 -0.530 0.000 1.038 118 A CA -0.621 51.127 52.037 -0.481 0.000 0.708 118 A CB 0.374 19.127 19.000 -0.412 0.000 1.251 118 A HN 0.252 nan 8.150 nan 0.000 0.409 119 N N 2.211 120.331 118.700 -0.967 0.000 2.602 119 N HA 0.296 5.036 4.740 -0.000 0.000 0.238 119 N C 1.128 176.413 175.510 -0.376 0.000 1.084 119 N CA 0.478 53.103 53.050 -0.709 0.000 0.952 119 N CB 1.009 38.802 38.487 -1.158 0.000 1.244 119 N HN 0.724 nan 8.380 nan 0.000 0.512 120 G N 1.174 109.850 108.800 -0.207 0.000 2.511 120 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.217 120 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.217 120 G C 0.070 174.913 174.900 -0.095 0.000 1.133 120 G CA 0.176 45.193 45.100 -0.137 0.000 0.792 120 G HN 0.546 nan 8.290 nan 0.000 0.539 121 D N -1.058 119.295 120.400 -0.079 0.000 2.336 121 D HA 0.317 4.957 4.640 -0.000 0.000 0.248 121 D C -2.103 174.180 176.300 -0.027 0.000 1.326 121 D CA -1.843 52.134 54.000 -0.039 0.000 0.973 121 D CB 1.859 42.651 40.800 -0.013 0.000 1.255 121 D HN -0.127 nan 8.370 nan 0.000 0.558 122 P HA -0.118 nan 4.420 nan 0.000 0.221 122 P C 1.331 178.643 177.300 0.021 0.000 1.145 122 P CA 0.907 64.014 63.100 0.011 0.000 0.795 122 P CB 0.259 31.974 31.700 0.025 0.000 0.775 123 S N -0.011 115.696 115.700 0.012 0.000 2.481 123 S HA -0.113 4.357 4.470 -0.000 0.000 0.231 123 S C 1.526 176.135 174.600 0.014 0.000 0.996 123 S CA 1.037 59.245 58.200 0.014 0.000 0.942 123 S CB -1.244 61.962 63.200 0.010 0.000 0.768 123 S HN 0.198 nan 8.310 nan 0.000 0.520 124 N N 0.793 119.501 118.700 0.014 0.000 2.270 124 N HA 0.097 4.837 4.740 -0.000 0.000 0.198 124 N C 0.297 175.809 175.510 0.003 0.000 1.117 124 N CA 0.335 53.391 53.050 0.010 0.000 0.845 124 N CB -0.415 38.082 38.487 0.017 0.000 0.980 124 N HN 0.144 nan 8.380 nan 0.000 0.486 125 D N 0.338 120.751 120.400 0.022 0.000 2.149 125 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 125 D C -0.176 176.132 176.300 0.015 0.000 0.990 125 D CA 1.226 55.249 54.000 0.038 0.000 0.839 125 D CB -0.067 40.780 40.800 0.079 0.000 0.948 125 D HN 0.330 nan 8.370 nan 0.000 0.460 126 N N -0.399 118.306 118.700 0.009 0.000 2.272 126 N HA 0.386 5.126 4.740 -0.000 0.000 0.305 126 N C -1.066 174.439 175.510 -0.008 0.000 1.103 126 N CA -0.450 52.598 53.050 -0.003 0.000 0.791 126 N CB 2.968 41.458 38.487 0.005 0.000 1.356 126 N HN -0.256 nan 8.380 nan 0.000 0.486 127 V N 0.868 120.772 119.914 -0.017 0.000 2.531 127 V HA 0.485 4.605 4.120 -0.000 0.000 0.301 127 V C 0.122 176.208 176.094 -0.013 0.000 1.034 127 V CA -1.188 61.104 62.300 -0.013 0.000 0.865 127 V CB 1.532 33.344 31.823 -0.018 0.000 0.995 127 V HN 0.835 nan 8.190 nan 0.000 0.424 128 A N 3.491 126.306 122.820 -0.008 0.000 2.580 128 A HA 0.468 4.788 4.320 -0.000 0.000 0.244 128 A C 1.569 179.146 177.584 -0.012 0.000 1.045 128 A CA 1.166 53.198 52.037 -0.009 0.000 0.761 128 A CB -0.576 18.421 19.000 -0.005 0.000 0.962 128 A HN 2.304 nan 8.150 nan 0.000 0.512 129 G N 1.503 110.295 108.800 -0.014 0.000 2.254 129 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.225 129 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.225 129 G C 0.397 175.282 174.900 -0.026 0.000 1.003 129 G CA 0.290 45.380 45.100 -0.017 0.000 0.622 129 G HN 0.774 nan 8.290 nan 0.000 0.507 130 M N 0.154 119.735 119.600 -0.031 0.000 2.202 130 M HA 0.401 4.881 4.480 -0.000 0.000 0.316 130 M C 1.752 178.018 176.300 -0.057 0.000 1.138 130 M CA -0.172 55.099 55.300 -0.047 0.000 1.151 130 M CB 0.572 33.143 32.600 -0.049 0.000 1.422 130 M HN 0.128 nan 8.290 nan 0.000 0.471 131 R N 0.184 120.632 120.500 -0.086 0.000 2.200 131 R HA 0.062 4.402 4.340 -0.000 0.000 0.208 131 R C 0.252 176.509 176.300 -0.072 0.000 1.033 131 R CA 0.669 56.708 56.100 -0.103 0.000 1.000 131 R CB 0.218 30.398 30.300 -0.201 0.000 0.906 131 R HN 0.623 nan 8.270 nan 0.000 0.462 132 E N 0.916 121.081 120.200 -0.059 0.000 2.183 132 E HA 0.104 4.454 4.350 -0.000 0.000 0.271 132 E C -0.803 175.785 176.600 -0.020 0.000 0.919 132 E CA -0.602 55.777 56.400 -0.035 0.000 0.781 132 E CB 1.184 30.866 29.700 -0.030 0.000 1.140 132 E HN -0.123 nan 8.360 nan 0.000 0.402 133 Q N 1.304 121.099 119.800 -0.007 0.000 2.235 133 Q HA 0.397 4.737 4.340 -0.000 0.000 0.250 133 Q C -0.541 175.473 176.000 0.025 0.000 0.909 133 Q CA -0.444 55.361 55.803 0.005 0.000 0.910 133 Q CB 1.698 30.438 28.738 0.003 0.000 1.223 133 Q HN 0.617 nan 8.270 nan 0.000 0.432 134 A N 2.184 125.026 122.820 0.036 0.000 2.462 134 A HA 0.209 4.529 4.320 -0.000 0.000 0.243 134 A C -0.174 177.449 177.584 0.066 0.000 1.076 134 A CA 0.117 52.195 52.037 0.068 0.000 0.773 134 A CB 0.153 19.205 19.000 0.087 0.000 1.010 134 A HN 0.616 nan 8.150 nan 0.000 0.493 135 D N 0.891 121.344 120.400 0.090 0.000 2.323 135 D HA 0.170 4.810 4.640 -0.000 0.000 0.242 135 D C 0.779 177.089 176.300 0.016 0.000 1.347 135 D CA -0.476 53.557 54.000 0.055 0.000 0.988 135 D CB 0.664 41.510 40.800 0.078 0.000 1.314 135 D HN 0.555 nan 8.370 nan 0.000 0.564 136 R N 1.970 122.392 120.500 -0.129 0.000 2.152 136 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 136 R C 1.039 176.974 176.300 -0.609 0.000 1.117 136 R CA 1.089 56.870 56.100 -0.532 0.000 0.981 136 R CB 0.329 30.371 30.300 -0.430 0.000 0.870 136 R HN 0.053 nan 8.270 nan 0.000 0.451 137 R N -0.631 119.720 120.500 -0.248 0.000 2.310 137 R HA 0.075 4.415 4.340 -0.000 0.000 0.202 137 R C -0.215 176.082 176.300 -0.005 0.000 0.933 137 R CA 0.366 56.378 56.100 -0.148 0.000 1.054 137 R CB -0.285 29.958 30.300 -0.094 0.000 0.985 137 R HN 0.333 nan 8.270 nan 0.000 0.489 138 H N -1.616 117.411 119.070 -0.072 0.000 2.488 138 H HA 0.213 4.769 4.556 -0.000 0.000 0.322 138 H C 0.954 176.340 175.328 0.097 0.000 1.078 138 H CA -0.318 55.732 56.048 0.003 0.000 1.260 138 H CB 1.467 31.223 29.762 -0.011 0.000 1.425 138 H HN 0.221 nan 8.280 nan 0.000 0.471 139 G N 2.755 111.628 108.800 0.121 0.000 2.432 139 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 139 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 139 G C 1.312 176.038 174.900 -0.290 0.000 1.135 139 G CA 0.592 45.678 45.100 -0.024 0.000 0.767 139 G HN 0.682 nan 8.290 nan 0.000 0.550 140 G N -0.120 108.299 108.800 -0.634 0.000 3.337 140 G HA2 0.486 4.446 3.960 -0.000 0.000 0.246 140 G HA3 0.486 4.446 3.960 -0.000 0.000 0.246 140 G C 0.628 175.111 174.900 -0.695 0.000 1.131 140 G CA 0.422 45.242 45.100 -0.467 0.000 0.773 140 G HN 0.597 nan 8.290 nan 0.000 0.544 141 G N -0.203 108.141 108.800 -0.759 0.000 2.511 141 G HA2 0.526 4.486 3.960 -0.000 0.000 0.316 141 G HA3 0.526 4.486 3.960 -0.000 0.000 0.316 141 G C -0.303 174.489 174.900 -0.179 0.000 1.210 141 G CA -1.025 43.925 45.100 -0.250 0.000 0.969 141 G HN 0.244 nan 8.290 nan 0.000 0.492 142 R N -0.507 120.019 120.500 0.045 0.000 2.298 142 R HA 0.232 4.572 4.340 -0.000 0.000 0.310 142 R C 0.325 176.790 176.300 0.275 0.000 1.068 142 R CA -0.175 55.993 56.100 0.114 0.000 0.957 142 R CB 0.827 31.187 30.300 0.101 0.000 1.003 142 R HN 0.743 nan 8.270 nan 0.000 0.454 143 H N 0.837 119.975 119.070 0.112 0.000 2.582 143 H HA 0.120 4.676 4.556 -0.000 0.000 0.269 143 H C 1.087 176.711 175.328 0.495 0.000 0.962 143 H CA 0.256 56.410 56.048 0.175 0.000 1.230 143 H CB 0.909 30.677 29.762 0.010 0.000 1.445 143 H HN 0.993 nan 8.280 nan 0.000 0.528 144 G N 0.769 109.902 108.800 0.555 0.000 2.175 144 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.182 144 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.182 144 G C 0.635 175.687 174.900 0.254 0.000 1.003 144 G CA -0.248 45.075 45.100 0.371 0.000 0.666 144 G HN 0.602 nan 8.290 nan 0.000 0.506 145 G N 0.387 109.418 108.800 0.384 0.000 2.484 145 G HA2 0.542 4.502 3.960 -0.000 0.000 0.235 145 G HA3 0.542 4.502 3.960 -0.000 0.000 0.235 145 G C 0.042 175.116 174.900 0.290 0.000 1.282 145 G CA 1.041 46.251 45.100 0.184 0.000 0.857 145 G HN 1.046 nan 8.290 nan 0.000 0.571 146 D N -0.290 120.223 120.400 0.189 0.000 2.677 146 D HA 0.224 4.864 4.640 -0.000 0.000 0.298 146 D C 1.034 177.439 176.300 0.174 0.000 1.250 146 D CA -0.895 53.271 54.000 0.276 0.000 0.888 146 D CB 0.413 41.316 40.800 0.172 0.000 1.397 146 D HN 0.194 nan 8.370 nan 0.000 0.461 147 I N -0.545 120.132 120.570 0.179 0.000 2.252 147 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 147 I C 2.599 178.762 176.117 0.076 0.000 1.102 147 I CA 0.897 62.276 61.300 0.132 0.000 1.385 147 I CB -0.206 37.894 38.000 0.168 0.000 1.064 147 I HN 0.413 nan 8.210 nan 0.000 0.414 148 R N 1.167 121.698 120.500 0.051 0.000 2.096 148 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 148 R C 2.308 178.577 176.300 -0.051 0.000 1.139 148 R CA 1.947 58.043 56.100 -0.006 0.000 0.952 148 R CB -0.646 29.644 30.300 -0.016 0.000 0.854 148 R HN 0.416 nan 8.270 nan 0.000 0.436 149 G N -0.902 107.871 108.800 -0.045 0.000 2.418 149 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.217 149 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.217 149 G C 1.322 176.227 174.900 0.008 0.000 1.158 149 G CA 1.222 46.275 45.100 -0.078 0.000 0.771 149 G HN 0.376 nan 8.290 nan 0.000 0.545 150 T N 1.396 116.029 114.554 0.131 0.000 2.708 150 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 150 T C 2.392 177.165 174.700 0.121 0.000 1.037 150 T CA 1.062 63.328 62.100 0.276 0.000 1.146 150 T CB -0.186 68.827 68.868 0.242 0.000 0.865 150 T HN 0.246 nan 8.240 nan 0.000 0.435 151 I N 1.402 121.984 120.570 0.020 0.000 2.163 151 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 151 I C 2.299 178.338 176.117 -0.130 0.000 1.085 151 I CA 1.249 62.524 61.300 -0.041 0.000 1.347 151 I CB -0.459 37.515 38.000 -0.044 0.000 1.044 151 I HN 0.135 nan 8.210 nan 0.000 0.408 152 D N -0.027 120.224 120.400 -0.248 0.000 2.239 152 D HA -0.197 4.443 4.640 -0.000 0.000 0.202 152 D C 1.535 177.390 176.300 -0.742 0.000 0.993 152 D CA 1.416 55.102 54.000 -0.523 0.000 0.874 152 D CB -0.223 40.131 40.800 -0.743 0.000 0.922 152 D HN 0.483 nan 8.370 nan 0.000 0.464 153 H N -0.815 118.112 119.070 -0.238 0.000 2.581 153 H HA 0.238 4.794 4.556 -0.000 0.000 0.275 153 H C 1.862 177.195 175.328 0.008 0.000 1.126 153 H CA -0.157 55.717 56.048 -0.290 0.000 1.097 153 H CB 0.416 29.677 29.762 -0.835 0.000 1.626 153 H HN 0.122 nan 8.280 nan 0.000 0.565 154 L N 0.091 121.346 121.223 0.053 0.000 2.083 154 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 154 L C 1.870 178.768 176.870 0.046 0.000 1.083 154 L CA 1.117 55.989 54.840 0.053 0.000 0.752 154 L CB -0.059 42.002 42.059 0.003 0.000 0.899 154 L HN 0.081 nan 8.230 nan 0.000 0.433 155 D N -0.813 119.609 120.400 0.037 0.000 2.144 155 D HA -0.241 4.399 4.640 -0.000 0.000 0.199 155 D C 1.856 178.215 176.300 0.098 0.000 0.984 155 D CA 1.206 55.234 54.000 0.046 0.000 0.834 155 D CB -0.156 40.664 40.800 0.033 0.000 0.955 155 D HN 0.336 nan 8.370 nan 0.000 0.465 156 Y N 1.321 121.653 120.300 0.052 0.000 2.145 156 Y HA -0.151 4.399 4.550 -0.000 0.000 0.286 156 Y C 2.137 178.072 175.900 0.059 0.000 1.145 156 Y CA 1.324 59.497 58.100 0.122 0.000 1.148 156 Y CB -0.394 38.225 38.460 0.264 0.000 0.981 156 Y HN -0.093 nan 8.280 nan 0.000 0.507 157 I N 0.270 120.795 120.570 -0.076 0.000 2.179 157 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 157 I C 2.711 178.734 176.117 -0.157 0.000 1.088 157 I CA 1.240 62.345 61.300 -0.325 0.000 1.357 157 I CB -0.882 36.951 38.000 -0.278 0.000 1.051 157 I HN 0.328 nan 8.210 nan 0.000 0.409 158 A N 1.098 123.876 122.820 -0.068 0.000 1.902 158 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 158 A C 2.439 179.982 177.584 -0.067 0.000 1.181 158 A CA 1.930 53.944 52.037 -0.039 0.000 0.623 158 A CB -1.483 17.505 19.000 -0.020 0.000 0.818 158 A HN 0.473 nan 8.150 nan 0.000 0.443 159 G N -0.568 108.183 108.800 -0.081 0.000 2.448 159 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.219 159 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.219 159 G C 1.420 176.246 174.900 -0.123 0.000 1.127 159 G CA 0.875 45.929 45.100 -0.077 0.000 0.766 159 G HN 0.443 nan 8.290 nan 0.000 0.552 160 L N -0.201 120.900 121.223 -0.204 0.000 2.478 160 L HA 0.182 4.522 4.340 -0.000 0.000 0.223 160 L C 2.102 178.807 176.870 -0.275 0.000 1.140 160 L CA 0.756 55.482 54.840 -0.190 0.000 0.842 160 L CB 0.062 42.032 42.059 -0.148 0.000 0.953 160 L HN 0.438 nan 8.230 nan 0.000 0.452 161 G N -1.121 107.523 108.800 -0.261 0.000 2.168 161 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.197 161 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.197 161 G C 0.025 174.647 174.900 -0.464 0.000 0.997 161 G CA -0.638 44.256 45.100 -0.343 0.000 0.658 161 G HN 0.102 nan 8.290 nan 0.000 0.513 162 F N 1.210 121.105 119.950 -0.093 0.000 2.375 162 F HA 0.554 5.081 4.527 -0.000 0.000 0.333 162 F C 1.678 177.453 175.800 -0.041 0.000 1.104 162 F CA 0.657 58.630 58.000 -0.045 0.000 1.149 162 F CB 1.774 40.760 39.000 -0.023 0.000 1.190 162 F HN 0.082 nan 8.300 nan 0.000 0.533 163 T N -2.100 112.547 114.554 0.155 0.000 3.043 163 T HA 0.289 4.639 4.350 -0.000 0.000 0.272 163 T C 0.021 174.768 174.700 0.077 0.000 0.990 163 T CA -0.189 61.952 62.100 0.068 0.000 0.897 163 T CB 0.117 68.995 68.868 0.016 0.000 1.111 163 T HN 0.445 nan 8.240 nan 0.000 0.529 164 Q N 0.694 120.565 119.800 0.119 0.000 2.377 164 Q HA 0.569 4.909 4.340 -0.000 0.000 0.279 164 Q C -2.040 174.012 176.000 0.087 0.000 1.049 164 Q CA -0.756 55.088 55.803 0.069 0.000 0.825 164 Q CB 3.020 31.767 28.738 0.014 0.000 1.401 164 Q HN 0.289 nan 8.270 nan 0.000 0.404 165 L N 2.381 123.635 121.223 0.051 0.000 2.325 165 L HA 0.603 4.943 4.340 -0.000 0.000 0.281 165 L C -1.725 175.198 176.870 0.088 0.000 1.004 165 L CA -0.277 54.595 54.840 0.054 0.000 0.823 165 L CB 1.099 43.166 42.059 0.014 0.000 1.236 165 L HN 0.697 nan 8.230 nan 0.000 0.415 166 W N 9.823 131.048 121.300 -0.125 0.000 2.338 166 W HA 0.660 5.320 4.660 0.000 0.000 0.315 166 W C -2.776 173.656 176.519 -0.146 0.000 1.005 166 W CA -2.907 54.350 57.345 -0.147 0.000 1.380 166 W CB 0.894 30.238 29.460 -0.194 0.000 1.235 166 W HN 0.390 nan 8.180 nan 0.000 0.409 167 P HA 0.237 nan 4.420 nan 0.000 0.292 167 P C 0.263 177.403 177.300 -0.266 0.000 1.283 167 P CA -0.064 62.862 63.100 -0.290 0.000 0.835 167 P CB 1.480 33.097 31.700 -0.138 0.000 1.017 168 T N 0.518 114.811 114.554 -0.436 0.000 2.795 168 T HA 0.196 4.546 4.350 -0.000 0.000 0.314 168 T C -2.284 172.221 174.700 -0.324 0.000 1.069 168 T CA -1.369 60.548 62.100 -0.306 0.000 1.071 168 T CB -1.167 67.466 68.868 -0.391 0.000 0.988 168 T HN 0.225 nan 8.240 nan 0.000 0.543 169 P HA 0.159 nan 4.420 nan 0.000 0.265 169 P C 0.009 177.093 177.300 -0.361 0.000 1.193 169 P CA -0.133 62.734 63.100 -0.388 0.000 0.765 169 P CB 0.269 31.701 31.700 -0.447 0.000 0.823 170 L N 2.901 123.881 121.223 -0.406 0.000 2.640 170 L HA 0.061 4.401 4.340 -0.000 0.000 0.230 170 L C 0.721 177.511 176.870 -0.134 0.000 1.123 170 L CA 0.180 54.801 54.840 -0.366 0.000 0.900 170 L CB -0.236 41.512 42.059 -0.518 0.000 1.146 170 L HN 0.211 nan 8.230 nan 0.000 0.484 171 V N -2.099 117.684 119.914 -0.218 0.000 2.999 171 V HA 0.050 4.170 4.120 -0.000 0.000 0.307 171 V C 0.710 176.797 176.094 -0.012 0.000 1.084 171 V CA -0.984 61.260 62.300 -0.092 0.000 1.155 171 V CB 0.408 32.187 31.823 -0.075 0.000 0.975 171 V HN 0.291 nan 8.190 nan 0.000 0.490 172 E N 2.813 123.026 120.200 0.021 0.000 2.529 172 E HA -0.039 4.311 4.350 -0.000 0.000 0.259 172 E C -0.242 176.328 176.600 -0.050 0.000 0.966 172 E CA 0.306 56.707 56.400 0.001 0.000 0.937 172 E CB 0.111 29.817 29.700 0.009 0.000 0.923 172 E HN 0.864 nan 8.360 nan 0.000 0.468 173 N N 4.765 123.437 118.700 -0.047 0.000 2.804 173 N HA 0.028 4.768 4.740 -0.000 0.000 0.251 173 N C -1.377 174.101 175.510 -0.053 0.000 1.250 173 N CA -0.361 52.655 53.050 -0.057 0.000 0.820 173 N CB 0.695 39.133 38.487 -0.081 0.000 1.156 173 N HN 0.396 nan 8.380 nan 0.000 0.512 174 D N 2.128 122.502 120.400 -0.044 0.000 2.741 174 D HA 0.225 4.865 4.640 -0.000 0.000 0.233 174 D C -0.353 175.881 176.300 -0.110 0.000 1.160 174 D CA -0.183 53.776 54.000 -0.069 0.000 1.003 174 D CB -0.055 40.709 40.800 -0.061 0.000 1.064 174 D HN 0.419 nan 8.370 nan 0.000 0.503 175 A N 0.698 123.477 122.820 -0.069 0.000 2.294 175 A HA 0.666 4.986 4.320 -0.000 0.000 0.330 175 A C 1.235 178.757 177.584 -0.103 0.000 1.133 175 A CA -0.103 51.915 52.037 -0.032 0.000 0.836 175 A CB 1.270 20.342 19.000 0.120 0.000 1.190 175 A HN 0.341 nan 8.150 nan 0.000 0.492 176 A N 0.278 123.045 122.820 -0.089 0.000 2.066 176 A HA 0.482 4.802 4.320 -0.000 0.000 0.218 176 A C 1.067 178.647 177.584 -0.007 0.000 1.157 176 A CA 1.676 53.685 52.037 -0.046 0.000 0.670 176 A CB -0.370 18.631 19.000 0.003 0.000 0.804 176 A HN 2.159 nan 8.150 nan 0.000 0.453 177 A N -3.703 119.136 122.820 0.031 0.000 2.594 177 A HA 0.557 4.877 4.320 -0.000 0.000 0.295 177 A C -0.130 177.482 177.584 0.047 0.000 1.071 177 A CA -0.439 51.559 52.037 -0.065 0.000 0.685 177 A CB 0.109 19.038 19.000 -0.118 0.000 1.285 177 A HN 0.931 nan 8.150 nan 0.000 0.405 178 Y N 0.146 120.539 120.300 0.155 0.000 4.079 178 Y HA -0.298 4.252 4.550 -0.000 0.000 0.223 178 Y C 1.986 177.813 175.900 -0.121 0.000 1.155 178 Y CA 1.167 59.360 58.100 0.156 0.000 1.805 178 Y CB -2.497 36.104 38.460 0.235 0.000 1.571 178 Y HN 1.083 nan 8.280 nan 0.000 0.654 179 S N -0.962 114.742 115.700 0.007 0.000 2.447 179 S HA -0.239 4.231 4.470 -0.000 0.000 0.233 179 S C 1.767 176.262 174.600 -0.174 0.000 1.006 179 S CA 1.047 59.177 58.200 -0.116 0.000 0.957 179 S CB -0.790 62.378 63.200 -0.054 0.000 0.773 179 S HN 0.686 nan 8.310 nan 0.000 0.507 180 Y N 3.301 123.537 120.300 -0.107 0.000 2.315 180 Y HA -0.171 4.379 4.550 0.000 0.000 0.288 180 Y C 2.369 178.314 175.900 0.075 0.000 1.154 180 Y CA 1.394 59.493 58.100 -0.002 0.000 1.229 180 Y CB -1.403 37.064 38.460 0.012 0.000 0.980 180 Y HN 0.666 nan 8.280 nan 0.000 0.540 181 H N -1.562 117.103 119.070 -0.676 0.000 2.512 181 H HA 0.280 4.836 4.556 -0.000 0.000 0.279 181 H C 1.941 177.137 175.328 -0.220 0.000 0.999 181 H CA 0.632 56.359 56.048 -0.535 0.000 1.283 181 H CB -0.206 29.254 29.762 -0.504 0.000 1.421 181 H HN 0.491 nan 8.280 nan 0.000 0.554 182 G N 0.872 109.554 108.800 -0.197 0.000 2.199 182 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.254 182 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.254 182 G C 0.373 175.154 174.900 -0.198 0.000 0.982 182 G CA 0.405 45.387 45.100 -0.197 0.000 0.632 182 G HN 0.529 nan 8.290 nan 0.000 0.529 183 Y N 0.832 121.327 120.300 0.326 0.000 2.529 183 Y HA 0.528 5.078 4.550 -0.000 0.000 0.290 183 Y C 1.843 177.881 175.900 0.229 0.000 1.177 183 Y CA 0.842 59.085 58.100 0.239 0.000 1.305 183 Y CB 0.517 39.088 38.460 0.184 0.000 1.047 183 Y HN 0.581 nan 8.280 nan 0.000 0.522 184 A N 0.500 123.472 122.820 0.253 0.000 2.938 184 A HA 0.734 5.054 4.320 -0.000 0.000 0.344 184 A C 0.166 177.772 177.584 0.037 0.000 1.142 184 A CA -0.571 51.579 52.037 0.189 0.000 0.841 184 A CB -0.686 18.436 19.000 0.204 0.000 1.083 184 A HN 0.175 nan 8.150 nan 0.000 0.479 185 A N 1.186 123.973 122.820 -0.055 0.000 2.511 185 A HA 0.454 4.774 4.320 -0.000 0.000 0.242 185 A C 1.333 178.818 177.584 -0.166 0.000 1.069 185 A CA 0.808 52.720 52.037 -0.208 0.000 0.763 185 A CB -0.019 18.632 19.000 -0.581 0.000 1.001 185 A HN 1.345 nan 8.150 nan 0.000 0.498 186 T N -1.743 112.687 114.554 -0.207 0.000 3.010 186 T HA 0.272 4.622 4.350 -0.000 0.000 0.257 186 T C -0.136 174.151 174.700 -0.689 0.000 1.020 186 T CA 0.573 62.467 62.100 -0.343 0.000 0.938 186 T CB 0.135 68.924 68.868 -0.132 0.000 1.049 186 T HN 0.613 nan 8.240 nan 0.000 0.522 187 D N 0.190 120.351 120.400 -0.399 0.000 2.333 187 D HA 0.148 4.788 4.640 -0.000 0.000 0.225 187 D C 0.029 176.342 176.300 0.021 0.000 1.345 187 D CA -0.393 53.502 54.000 -0.175 0.000 0.971 187 D CB 0.699 41.515 40.800 0.026 0.000 1.451 187 D HN 0.005 nan 8.370 nan 0.000 0.561 188 H N 2.239 121.415 119.070 0.176 0.000 2.545 188 H HA -0.030 4.526 4.556 -0.000 0.000 0.282 188 H C 0.325 175.780 175.328 0.212 0.000 1.020 188 H CA 0.948 57.121 56.048 0.207 0.000 1.243 188 H CB 0.479 30.376 29.762 0.226 0.000 1.377 188 H HN 0.480 nan 8.280 nan 0.000 0.581 189 Y N -0.227 120.270 120.300 0.329 0.000 2.555 189 Y HA 0.222 4.772 4.550 -0.000 0.000 0.259 189 Y C 0.758 176.788 175.900 0.217 0.000 1.179 189 Y CA -0.136 57.990 58.100 0.045 0.000 1.230 189 Y CB 0.830 39.107 38.460 -0.306 0.000 1.146 189 Y HN -0.119 nan 8.280 nan 0.000 0.526 190 R N 0.591 121.389 120.500 0.497 0.000 2.564 190 R HA 0.368 4.708 4.340 -0.000 0.000 0.284 190 R C -1.242 175.286 176.300 0.381 0.000 1.031 190 R CA -0.674 55.682 56.100 0.426 0.000 0.904 190 R CB 0.941 31.396 30.300 0.258 0.000 1.199 190 R HN -0.072 nan 8.270 nan 0.000 0.443 191 I N 3.069 123.875 120.570 0.393 0.000 2.710 191 I HA -0.064 4.106 4.170 -0.000 0.000 0.286 191 I C 0.675 176.904 176.117 0.186 0.000 1.181 191 I CA 0.400 61.830 61.300 0.216 0.000 1.430 191 I CB 0.280 38.419 38.000 0.232 0.000 1.367 191 I HN 0.715 nan 8.210 nan 0.000 0.577 192 D N 9.131 129.631 120.400 0.166 0.000 2.520 192 D HA -0.045 4.595 4.640 -0.000 0.000 0.243 192 D C -1.547 174.786 176.300 0.056 0.000 1.160 192 D CA -0.893 53.153 54.000 0.077 0.000 0.877 192 D CB 1.338 42.134 40.800 -0.007 0.000 1.150 192 D HN 0.258 nan 8.370 nan 0.000 0.494 193 P HA -0.107 nan 4.420 nan 0.000 0.223 193 P C 1.000 178.294 177.300 -0.009 0.000 1.144 193 P CA 0.958 64.080 63.100 0.037 0.000 0.783 193 P CB 0.183 31.898 31.700 0.024 0.000 0.771 194 R N -2.136 118.293 120.500 -0.117 0.000 2.189 194 R HA -0.066 4.274 4.340 -0.000 0.000 0.218 194 R C 1.696 177.897 176.300 -0.165 0.000 1.074 194 R CA 0.986 56.979 56.100 -0.178 0.000 0.991 194 R CB -0.490 29.646 30.300 -0.273 0.000 0.883 194 R HN 0.290 nan 8.270 nan 0.000 0.457 195 Y N -0.683 119.650 120.300 0.054 0.000 2.448 195 Y HA 0.248 4.798 4.550 -0.000 0.000 0.289 195 Y C 1.499 177.444 175.900 0.075 0.000 1.114 195 Y CA 0.634 58.771 58.100 0.062 0.000 1.235 195 Y CB 0.325 38.816 38.460 0.052 0.000 1.045 195 Y HN 0.180 nan 8.280 nan 0.000 0.554 196 G N -0.745 108.184 108.800 0.215 0.000 2.278 196 G HA2 0.181 4.141 3.960 -0.000 0.000 0.265 196 G HA3 0.181 4.141 3.960 -0.000 0.000 0.265 196 G C -0.935 174.081 174.900 0.194 0.000 1.329 196 G CA -0.520 44.687 45.100 0.178 0.000 1.017 196 G HN 0.325 nan 8.290 nan 0.000 0.472 197 S N -0.470 115.353 115.700 0.204 0.000 2.722 197 S HA 0.547 5.017 4.470 -0.000 0.000 0.292 197 S C 1.127 175.927 174.600 0.334 0.000 1.135 197 S CA 0.193 58.534 58.200 0.235 0.000 1.003 197 S CB 1.754 65.071 63.200 0.195 0.000 1.067 197 S HN 0.614 nan 8.310 nan 0.000 0.546 198 N N 1.261 120.209 118.700 0.413 0.000 2.094 198 N HA -0.133 4.607 4.740 -0.000 0.000 0.191 198 N C 1.521 177.350 175.510 0.531 0.000 1.023 198 N CA 1.814 55.232 53.050 0.613 0.000 0.857 198 N CB -0.548 38.366 38.487 0.712 0.000 1.013 198 N HN 0.788 nan 8.380 nan 0.000 0.426 199 E N 0.083 120.510 120.200 0.379 0.000 2.110 199 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 199 E C 0.950 177.652 176.600 0.170 0.000 0.988 199 E CA 0.888 57.430 56.400 0.237 0.000 0.804 199 E CB -0.013 29.799 29.700 0.187 0.000 0.745 199 E HN 0.362 nan 8.360 nan 0.000 0.458 200 D N 0.080 120.601 120.400 0.202 0.000 2.117 200 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 200 D C 1.627 178.039 176.300 0.187 0.000 0.987 200 D CA 0.731 54.829 54.000 0.164 0.000 0.829 200 D CB -0.300 40.606 40.800 0.177 0.000 0.961 200 D HN 0.105 nan 8.370 nan 0.000 0.460 201 F N 1.469 121.485 119.950 0.110 0.000 2.134 201 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 201 F C 2.220 178.033 175.800 0.022 0.000 1.097 201 F CA 0.858 58.907 58.000 0.083 0.000 1.264 201 F CB -0.354 38.743 39.000 0.161 0.000 1.001 201 F HN -0.224 nan 8.300 nan 0.000 0.479 202 V N 0.739 120.647 119.914 -0.010 0.000 2.332 202 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 202 V C 2.586 178.567 176.094 -0.188 0.000 1.055 202 V CA 2.372 64.538 62.300 -0.224 0.000 1.038 202 V CB -0.829 30.802 31.823 -0.320 0.000 0.651 202 V HN 0.297 nan 8.190 nan 0.000 0.450 203 R N -0.484 119.960 120.500 -0.093 0.000 2.096 203 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 203 R C 2.249 178.486 176.300 -0.105 0.000 1.127 203 R CA 1.550 57.605 56.100 -0.075 0.000 0.968 203 R CB -0.350 29.936 30.300 -0.023 0.000 0.861 203 R HN 0.462 nan 8.270 nan 0.000 0.440 204 L N 0.248 121.393 121.223 -0.131 0.000 2.012 204 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 204 L C 2.219 178.962 176.870 -0.211 0.000 1.073 204 L CA 2.250 56.997 54.840 -0.155 0.000 0.748 204 L CB -1.016 40.942 42.059 -0.169 0.000 0.891 204 L HN 0.117 nan 8.230 nan 0.000 0.431 205 S N -1.361 114.143 115.700 -0.326 0.000 2.359 205 S HA -0.240 4.230 4.470 -0.000 0.000 0.224 205 S C 2.115 176.612 174.600 -0.171 0.000 1.035 205 S CA 2.226 60.258 58.200 -0.280 0.000 1.018 205 S CB -0.713 62.282 63.200 -0.343 0.000 0.876 205 S HN 0.824 nan 8.310 nan 0.000 0.448 206 T N -0.450 114.014 114.554 -0.151 0.000 2.777 206 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 206 T C 1.659 176.310 174.700 -0.082 0.000 1.040 206 T CA 1.239 63.276 62.100 -0.105 0.000 1.141 206 T CB -0.510 68.305 68.868 -0.089 0.000 0.868 206 T HN 0.290 nan 8.240 nan 0.000 0.444 207 E N 1.663 121.814 120.200 -0.081 0.000 2.106 207 E HA 0.064 4.414 4.350 -0.000 0.000 0.192 207 E C 2.628 179.193 176.600 -0.058 0.000 0.984 207 E CA 1.270 57.633 56.400 -0.063 0.000 0.806 207 E CB -0.795 28.869 29.700 -0.060 0.000 0.750 207 E HN 0.717 nan 8.360 nan 0.000 0.458 208 A N 1.477 124.255 122.820 -0.070 0.000 1.902 208 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 208 A C 2.238 179.792 177.584 -0.049 0.000 1.181 208 A CA 1.694 53.698 52.037 -0.056 0.000 0.623 208 A CB -0.496 18.463 19.000 -0.068 0.000 0.818 208 A HN 0.142 nan 8.150 nan 0.000 0.443 209 R N -0.007 120.457 120.500 -0.060 0.000 2.081 209 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 209 R C 2.009 178.285 176.300 -0.041 0.000 1.131 209 R CA 1.727 57.797 56.100 -0.051 0.000 0.960 209 R CB -0.258 30.005 30.300 -0.062 0.000 0.856 209 R HN 0.497 nan 8.270 nan 0.000 0.436 210 K N -0.005 120.369 120.400 -0.042 0.000 2.160 210 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 210 K C 1.508 178.091 176.600 -0.028 0.000 1.047 210 K CA 1.449 57.715 56.287 -0.034 0.000 0.930 210 K CB -0.017 32.462 32.500 -0.036 0.000 0.720 210 K HN 0.235 nan 8.250 nan 0.000 0.450 211 R N -0.470 120.013 120.500 -0.028 0.000 2.515 211 R HA 0.095 4.435 4.340 -0.000 0.000 0.294 211 R C 0.567 176.855 176.300 -0.020 0.000 1.021 211 R CA 0.333 56.420 56.100 -0.022 0.000 1.081 211 R CB 0.768 31.056 30.300 -0.020 0.000 1.263 211 R HN 0.292 nan 8.270 nan 0.000 0.557 212 G N 1.258 110.045 108.800 -0.022 0.000 2.143 212 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.248 212 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.248 212 G C 0.045 174.937 174.900 -0.013 0.000 0.991 212 G CA 0.155 45.243 45.100 -0.020 0.000 0.689 212 G HN 0.230 nan 8.290 nan 0.000 0.522 213 M N 0.313 119.905 119.600 -0.014 0.000 2.456 213 M HA 0.582 5.062 4.480 -0.000 0.000 0.324 213 M C 0.805 177.097 176.300 -0.013 0.000 1.124 213 M CA -0.191 55.108 55.300 -0.002 0.000 0.959 213 M CB 2.131 34.734 32.600 0.005 0.000 1.692 213 M HN 0.208 nan 8.290 nan 0.000 0.444 214 G N 1.494 110.297 108.800 0.004 0.000 2.504 214 G HA2 0.637 4.597 3.960 -0.000 0.000 0.288 214 G HA3 0.637 4.597 3.960 -0.000 0.000 0.288 214 G C -1.747 173.146 174.900 -0.012 0.000 1.182 214 G CA -0.468 44.631 45.100 -0.001 0.000 0.894 214 G HN 0.561 nan 8.290 nan 0.000 0.521 215 L N 0.662 121.866 121.223 -0.031 0.000 2.343 215 L HA 0.597 4.937 4.340 -0.000 0.000 0.278 215 L C -0.658 176.215 176.870 0.005 0.000 0.996 215 L CA -0.613 54.200 54.840 -0.044 0.000 0.831 215 L CB 1.374 43.342 42.059 -0.151 0.000 1.232 215 L HN 0.388 nan 8.230 nan 0.000 0.413 216 I N 4.523 125.115 120.570 0.037 0.000 2.339 216 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 216 I C -0.157 176.024 176.117 0.107 0.000 0.994 216 I CA -0.468 60.855 61.300 0.039 0.000 1.191 216 I CB 1.636 39.562 38.000 -0.124 0.000 1.343 216 I HN 0.627 nan 8.210 nan 0.000 0.458 217 Q N 5.046 124.909 119.800 0.104 0.000 2.235 217 Q HA 0.161 4.500 4.340 -0.000 0.000 0.250 217 Q C -0.914 175.112 176.000 0.044 0.000 0.909 217 Q CA -0.625 55.244 55.803 0.111 0.000 0.910 217 Q CB 1.547 30.342 28.738 0.094 0.000 1.223 217 Q HN 0.467 nan 8.270 nan 0.000 0.432 218 D N 3.236 123.678 120.400 0.069 0.000 2.359 218 D HA 0.257 4.897 4.640 -0.000 0.000 0.230 218 D C -1.124 175.181 176.300 0.009 0.000 1.118 218 D CA -0.286 53.767 54.000 0.088 0.000 0.844 218 D CB 1.021 41.993 40.800 0.288 0.000 1.059 218 D HN 0.371 nan 8.370 nan 0.000 0.493 219 V N 1.767 121.704 119.914 0.038 0.000 2.459 219 V HA 0.636 4.756 4.120 -0.000 0.000 0.295 219 V C -0.160 175.959 176.094 0.041 0.000 1.029 219 V CA -0.828 61.495 62.300 0.038 0.000 0.874 219 V CB 1.589 33.465 31.823 0.089 0.000 0.985 219 V HN 0.183 nan 8.190 nan 0.000 0.438 220 V N 5.919 125.845 119.914 0.020 0.000 2.427 220 V HA 0.429 4.549 4.120 -0.000 0.000 0.286 220 V C 0.652 176.681 176.094 -0.109 0.000 1.034 220 V CA -0.254 61.999 62.300 -0.077 0.000 0.893 220 V CB 1.388 33.102 31.823 -0.181 0.000 0.982 220 V HN 0.932 nan 8.190 nan 0.000 0.452 221 L N 2.499 123.615 121.223 -0.178 0.000 2.547 221 L HA 0.108 4.448 4.340 -0.000 0.000 0.218 221 L C 2.273 179.000 176.870 -0.238 0.000 1.048 221 L CA 0.648 55.380 54.840 -0.179 0.000 0.859 221 L CB -0.061 41.898 42.059 -0.166 0.000 1.128 221 L HN 0.726 nan 8.230 nan 0.000 0.483 222 S N -0.753 114.802 115.700 -0.242 0.000 2.387 222 S HA -0.060 4.410 4.470 -0.000 0.000 0.226 222 S C 0.658 175.183 174.600 -0.126 0.000 1.026 222 S CA 0.519 58.614 58.200 -0.174 0.000 0.972 222 S CB -0.164 63.008 63.200 -0.046 0.000 0.814 222 S HN 0.530 nan 8.310 nan 0.000 0.477 223 H N -1.022 117.971 119.070 -0.130 0.000 2.977 223 H HA 0.657 5.213 4.556 -0.000 0.000 0.350 223 H C -0.473 174.826 175.328 -0.049 0.000 1.238 223 H CA -0.895 55.070 56.048 -0.139 0.000 1.124 223 H CB 1.082 30.743 29.762 -0.168 0.000 1.866 223 H HN 0.359 nan 8.280 nan 0.000 0.550 224 I N -1.819 118.791 120.570 0.068 0.000 3.457 224 I HA 0.768 4.938 4.170 -0.000 0.000 0.307 224 I C 0.046 176.201 176.117 0.064 0.000 1.138 224 I CA -1.481 59.840 61.300 0.035 0.000 0.974 224 I CB 2.040 40.014 38.000 -0.043 0.000 1.324 224 I HN 0.659 nan 8.210 nan 0.000 0.485 225 G N 0.503 109.336 108.800 0.055 0.000 2.476 225 G HA2 0.317 4.277 3.960 -0.000 0.000 0.286 225 G HA3 0.317 4.277 3.960 -0.000 0.000 0.286 225 G C 0.369 175.291 174.900 0.037 0.000 1.177 225 G CA -0.529 44.613 45.100 0.069 0.000 0.870 225 G HN 0.937 nan 8.290 nan 0.000 0.528 226 K N -0.651 119.750 120.400 0.002 0.000 2.362 226 K HA -0.050 4.270 4.320 -0.000 0.000 0.200 226 K C 0.943 177.474 176.600 -0.115 0.000 1.046 226 K CA 1.012 57.263 56.287 -0.061 0.000 0.952 226 K CB -0.006 32.443 32.500 -0.086 0.000 0.753 226 K HN 0.513 nan 8.250 nan 0.000 0.466 227 H N 0.194 119.307 119.070 0.072 0.000 2.533 227 H HA 0.036 4.592 4.556 -0.000 0.000 0.271 227 H C 0.023 175.380 175.328 0.048 0.000 1.000 227 H CA 0.028 56.114 56.048 0.064 0.000 1.149 227 H CB -0.250 29.538 29.762 0.043 0.000 1.375 227 H HN 0.276 nan 8.280 nan 0.000 0.582 228 H N 1.760 120.831 119.070 0.002 0.000 3.001 228 H HA -0.137 4.419 4.556 -0.000 0.000 0.334 228 H C 1.254 176.513 175.328 -0.116 0.000 1.034 228 H CA 0.193 56.142 56.048 -0.164 0.000 1.420 228 H CB 0.404 29.954 29.762 -0.353 0.000 1.405 228 H HN 0.505 nan 8.280 nan 0.000 0.593 229 W N 4.856 126.097 121.300 -0.099 0.000 2.387 229 W HA -0.135 4.525 4.660 -0.000 0.000 0.272 229 W C 0.990 177.622 176.519 0.188 0.000 1.224 229 W CA -0.214 57.143 57.345 0.021 0.000 1.210 229 W CB -1.056 28.348 29.460 -0.093 0.000 1.125 229 W HN 0.539 nan 8.180 nan 0.000 0.572 230 W N 1.143 122.212 121.300 -0.385 0.000 2.350 230 W HA -0.185 4.475 4.660 0.000 0.000 0.289 230 W C 2.371 178.763 176.519 -0.211 0.000 1.215 230 W CA 0.875 57.886 57.345 -0.558 0.000 1.236 230 W CB -1.237 27.697 29.460 -0.877 0.000 1.130 230 W HN -0.094 nan 8.180 nan 0.000 0.541 231 M N 0.182 119.871 119.600 0.147 0.000 2.374 231 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 231 M C 1.567 177.949 176.300 0.137 0.000 1.067 231 M CA 1.183 56.557 55.300 0.124 0.000 1.103 231 M CB -1.286 31.382 32.600 0.113 0.000 1.402 231 M HN 0.055 nan 8.290 nan 0.000 0.444 232 K N -0.178 120.328 120.400 0.178 0.000 2.366 232 K HA -0.048 4.272 4.320 -0.000 0.000 0.198 232 K C -0.039 176.672 176.600 0.185 0.000 1.044 232 K CA 0.568 56.966 56.287 0.185 0.000 0.973 232 K CB 0.183 32.819 32.500 0.226 0.000 0.767 232 K HN 0.114 nan 8.250 nan 0.000 0.475 233 D N 0.223 120.740 120.400 0.195 0.000 2.491 233 D HA 0.101 4.741 4.640 -0.000 0.000 0.232 233 D C -1.098 175.286 176.300 0.139 0.000 1.334 233 D CA -0.195 53.930 54.000 0.208 0.000 0.909 233 D CB 0.183 41.168 40.800 0.308 0.000 1.513 233 D HN -0.097 nan 8.370 nan 0.000 0.514 234 L N 3.758 124.982 121.223 0.002 0.000 2.584 234 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 234 L C -1.067 175.537 176.870 -0.443 0.000 1.195 234 L CA -0.968 53.748 54.840 -0.207 0.000 0.920 234 L CB 0.426 42.433 42.059 -0.087 0.000 1.173 234 L HN 0.237 nan 8.230 nan 0.000 0.489 235 P HA -0.126 nan 4.420 nan 0.000 0.216 235 P C 0.283 177.179 177.300 -0.673 0.000 1.153 235 P CA 1.262 63.388 63.100 -1.623 0.000 0.858 235 P CB 0.139 30.268 31.700 -2.619 0.000 0.789 236 T N -7.867 106.467 114.554 -0.366 0.000 2.883 236 T HA 0.449 4.799 4.350 -0.000 0.000 0.296 236 T C -2.549 172.134 174.700 -0.029 0.000 1.117 236 T CA -2.144 59.905 62.100 -0.084 0.000 1.006 236 T CB 1.655 70.544 68.868 0.035 0.000 1.191 236 T HN -0.284 nan 8.240 nan 0.000 0.508 237 P HA 0.042 nan 4.420 nan 0.000 0.223 237 P C 0.645 177.957 177.300 0.019 0.000 1.151 237 P CA 0.856 63.962 63.100 0.010 0.000 0.787 237 P CB -0.020 31.686 31.700 0.010 0.000 0.788 238 D N -2.770 117.634 120.400 0.007 0.000 2.402 238 D HA -0.073 4.567 4.640 -0.000 0.000 0.216 238 D C 1.461 177.729 176.300 -0.053 0.000 1.128 238 D CA -0.505 53.477 54.000 -0.030 0.000 0.833 238 D CB -1.249 39.510 40.800 -0.069 0.000 0.971 238 D HN 0.203 nan 8.370 nan 0.000 0.503 239 W N 1.117 122.273 121.300 -0.239 0.000 2.335 239 W HA -0.057 4.603 4.660 -0.000 0.000 0.311 239 W C -0.209 176.137 176.519 -0.288 0.000 1.213 239 W CA 0.723 57.862 57.345 -0.344 0.000 1.274 239 W CB 0.238 29.410 29.460 -0.479 0.000 1.148 239 W HN -0.117 nan 8.180 nan 0.000 0.498 240 I N 1.503 122.081 120.570 0.013 0.000 2.412 240 I HA 0.109 4.279 4.170 -0.000 0.000 0.296 240 I C -0.047 176.088 176.117 0.030 0.000 0.987 240 I CA -0.995 60.300 61.300 -0.010 0.000 1.180 240 I CB 0.620 38.682 38.000 0.104 0.000 1.340 240 I HN -0.133 nan 8.210 nan 0.000 0.455 241 N N 4.876 123.583 118.700 0.010 0.000 2.395 241 N HA 0.013 4.753 4.740 -0.000 0.000 0.246 241 N C -0.768 174.868 175.510 0.210 0.000 1.246 241 N CA 0.223 53.251 53.050 -0.036 0.000 0.879 241 N CB 0.036 38.469 38.487 -0.089 0.000 1.098 241 N HN 0.423 nan 8.380 nan 0.000 0.444 242 Y N -0.449 119.935 120.300 0.140 0.000 3.929 242 Y HA -0.211 4.339 4.550 0.000 0.000 0.225 242 Y C 1.302 177.252 175.900 0.083 0.000 1.200 242 Y CA 0.746 58.893 58.100 0.078 0.000 1.791 242 Y CB -2.172 36.297 38.460 0.016 0.000 1.561 242 Y HN 0.898 nan 8.280 nan 0.000 0.657 243 G N -0.888 107.998 108.800 0.145 0.000 2.341 243 G HA2 0.099 4.059 3.960 -0.000 0.000 0.292 243 G HA3 0.099 4.059 3.960 -0.000 0.000 0.292 243 G C 1.398 176.406 174.900 0.180 0.000 1.021 243 G CA 1.297 46.471 45.100 0.124 0.000 0.905 243 G HN 2.148 nan 8.290 nan 0.000 0.508 244 G N -1.828 107.150 108.800 0.297 0.000 2.159 244 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.256 244 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.256 244 G C 0.347 175.518 174.900 0.451 0.000 0.977 244 G CA 0.967 46.300 45.100 0.389 0.000 0.652 244 G HN 0.963 nan 8.290 nan 0.000 0.531 245 K N -0.049 120.510 120.400 0.265 0.000 2.164 245 K HA 0.485 4.805 4.320 -0.000 0.000 0.258 245 K C -0.227 175.963 176.600 -0.684 0.000 0.951 245 K CA -1.212 55.035 56.287 -0.067 0.000 0.844 245 K CB 1.551 34.018 32.500 -0.056 0.000 1.099 245 K HN 0.165 nan 8.250 nan 0.000 0.435 246 F N 3.132 122.362 119.950 -1.200 0.000 2.538 246 F HA 0.038 4.565 4.527 -0.000 0.000 0.382 246 F C -0.556 174.641 175.800 -1.006 0.000 1.069 246 F CA -0.170 56.831 58.000 -1.665 0.000 1.138 246 F CB 0.095 38.589 39.000 -0.842 0.000 1.068 246 F HN 0.067 nan 8.300 nan 0.000 0.556 247 V N 9.177 128.176 119.914 -1.526 0.000 2.447 247 V HA 0.323 4.443 4.120 -0.000 0.000 0.292 247 V C -2.165 173.366 176.094 -0.937 0.000 1.021 247 V CA -1.638 59.920 62.300 -1.236 0.000 0.850 247 V CB 1.610 32.689 31.823 -1.240 0.000 1.005 247 V HN 0.620 nan 8.190 nan 0.000 0.426 248 P HA 0.134 nan 4.420 nan 0.000 0.275 248 P C 0.041 177.203 177.300 -0.230 0.000 1.227 248 P CA 0.130 62.998 63.100 -0.387 0.000 0.781 248 P CB 0.987 32.508 31.700 -0.297 0.000 0.906 249 T N 2.197 116.667 114.554 -0.139 0.000 2.918 249 T HA 0.042 4.392 4.350 -0.000 0.000 0.302 249 T C 1.091 175.570 174.700 -0.368 0.000 1.045 249 T CA -0.119 61.848 62.100 -0.221 0.000 1.114 249 T CB -0.052 68.671 68.868 -0.241 0.000 0.965 249 T HN 0.262 nan 8.240 nan 0.000 0.540 250 Q N 2.234 121.876 119.800 -0.263 0.000 2.247 250 Q HA 0.112 4.452 4.340 -0.000 0.000 0.204 250 Q C -0.013 175.794 176.000 -0.323 0.000 0.872 250 Q CA 0.088 55.733 55.803 -0.264 0.000 0.951 250 Q CB -0.141 28.464 28.738 -0.222 0.000 1.099 250 Q HN 1.038 nan 8.270 nan 0.000 0.501 251 H N -1.131 117.911 119.070 -0.047 0.000 2.903 251 H HA -0.149 4.407 4.556 -0.000 0.000 0.285 251 H C -0.723 174.555 175.328 -0.082 0.000 1.231 251 H CA 0.461 56.609 56.048 0.167 0.000 1.135 251 H CB -2.460 27.343 29.762 0.068 0.000 1.328 251 H HN 0.436 nan 8.280 nan 0.000 0.388 252 H N 0.992 120.125 119.070 0.104 0.000 3.045 252 H HA 0.074 4.630 4.556 -0.000 0.000 0.254 252 H C 1.820 176.765 175.328 -0.637 0.000 1.747 252 H CA 0.060 56.014 56.048 -0.158 0.000 1.444 252 H CB 0.369 30.094 29.762 -0.060 0.000 1.778 252 H HN 0.495 nan 8.280 nan 0.000 0.544 253 R N 0.993 120.986 120.500 -0.846 0.000 2.120 253 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 253 R C 1.511 177.413 176.300 -0.663 0.000 1.123 253 R CA 1.766 56.960 56.100 -1.509 0.000 0.975 253 R CB -0.524 29.307 30.300 -0.781 0.000 0.866 253 R HN 0.471 nan 8.270 nan 0.000 0.446 254 V N -1.392 118.336 119.914 -0.311 0.000 2.913 254 V HA 0.095 4.215 4.120 -0.000 0.000 0.260 254 V C 2.420 178.437 176.094 -0.128 0.000 1.098 254 V CA 1.216 63.423 62.300 -0.156 0.000 1.121 254 V CB -0.585 31.187 31.823 -0.086 0.000 0.714 254 V HN 0.369 nan 8.190 nan 0.000 0.487 255 A N 1.457 124.187 122.820 -0.150 0.000 2.024 255 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 255 A C 2.332 179.905 177.584 -0.018 0.000 1.164 255 A CA 2.182 54.188 52.037 -0.053 0.000 0.643 255 A CB -0.867 18.133 19.000 -0.001 0.000 0.806 255 A HN 1.309 nan 8.150 nan 0.000 0.451 256 V N -1.963 117.931 119.914 -0.033 0.000 3.380 256 V HA -0.018 4.102 4.120 -0.000 0.000 0.268 256 V C 0.870 176.913 176.094 -0.084 0.000 1.168 256 V CA 1.434 63.736 62.300 0.003 0.000 1.156 256 V CB -1.053 30.844 31.823 0.123 0.000 0.785 256 V HN 0.811 nan 8.190 nan 0.000 0.487 257 Q N 0.037 119.801 119.800 -0.060 0.000 2.409 257 Q HA 0.455 4.795 4.340 -0.000 0.000 0.345 257 Q C -0.904 175.180 176.000 0.140 0.000 0.847 257 Q CA -0.283 55.519 55.803 -0.002 0.000 1.092 257 Q CB 0.481 29.119 28.738 -0.168 0.000 1.377 257 Q HN 0.463 nan 8.270 nan 0.000 0.399 258 D N 1.337 121.817 120.400 0.132 0.000 2.788 258 D HA 0.263 4.902 4.640 -0.000 0.000 0.247 258 D C -1.846 174.431 176.300 -0.039 0.000 1.236 258 D CA -2.129 51.847 54.000 -0.039 0.000 0.898 258 D CB 2.207 42.985 40.800 -0.037 0.000 1.401 258 D HN -0.020 nan 8.370 nan 0.000 0.549 259 P HA -0.120 nan 4.420 nan 0.000 0.222 259 P C 0.432 177.565 177.300 -0.277 0.000 1.147 259 P CA 0.916 63.806 63.100 -0.350 0.000 0.790 259 P CB 0.137 31.356 31.700 -0.801 0.000 0.780 260 Y N -0.287 119.991 120.300 -0.036 0.000 2.493 260 Y HA 0.472 5.022 4.550 -0.000 0.000 0.275 260 Y C 1.475 177.361 175.900 -0.024 0.000 1.183 260 Y CA -1.369 56.711 58.100 -0.033 0.000 1.258 260 Y CB -1.073 37.353 38.460 -0.057 0.000 1.108 260 Y HN -0.099 nan 8.280 nan 0.000 0.521 261 A N 1.120 123.995 122.820 0.091 0.000 2.498 261 A HA 0.549 4.869 4.320 -0.000 0.000 0.239 261 A C 0.581 178.195 177.584 0.051 0.000 1.068 261 A CA 0.060 52.130 52.037 0.054 0.000 0.766 261 A CB -0.060 18.965 19.000 0.041 0.000 1.003 261 A HN 0.371 nan 8.150 nan 0.000 0.497 262 A N 1.541 124.379 122.820 0.030 0.000 2.331 262 A HA 0.410 4.730 4.320 -0.000 0.000 0.283 262 A C 0.933 178.540 177.584 0.039 0.000 1.142 262 A CA -0.356 51.697 52.037 0.028 0.000 0.812 262 A CB 0.256 19.261 19.000 0.009 0.000 1.074 262 A HN 0.962 nan 8.150 nan 0.000 0.497 263 Q N 1.719 121.544 119.800 0.042 0.000 2.152 263 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 263 Q C 2.305 178.343 176.000 0.064 0.000 0.985 263 Q CA 1.807 57.641 55.803 0.051 0.000 0.863 263 Q CB -0.293 28.471 28.738 0.043 0.000 0.904 263 Q HN 0.956 nan 8.270 nan 0.000 0.422 264 A N 1.353 124.207 122.820 0.056 0.000 1.917 264 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 264 A C 1.616 179.258 177.584 0.098 0.000 1.182 264 A CA 2.024 54.102 52.037 0.069 0.000 0.633 264 A CB -0.406 18.620 19.000 0.044 0.000 0.819 264 A HN 0.267 nan 8.150 nan 0.000 0.448 265 D N -1.211 119.242 120.400 0.088 0.000 2.137 265 D HA -0.050 4.590 4.640 -0.000 0.000 0.202 265 D C 2.331 178.734 176.300 0.171 0.000 0.970 265 D CA 1.392 55.471 54.000 0.132 0.000 0.837 265 D CB -0.313 40.516 40.800 0.047 0.000 0.981 265 D HN 0.384 nan 8.370 nan 0.000 0.475 266 S N 0.345 116.122 115.700 0.129 0.000 2.356 266 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 266 S C 1.745 176.459 174.600 0.190 0.000 1.032 266 S CA 1.240 59.533 58.200 0.154 0.000 1.005 266 S CB -0.101 63.161 63.200 0.103 0.000 0.867 266 S HN 0.208 nan 8.310 nan 0.000 0.449 267 E N 0.975 121.264 120.200 0.148 0.000 2.085 267 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 267 E C 2.169 178.889 176.600 0.200 0.000 0.994 267 E CA 1.076 57.563 56.400 0.145 0.000 0.801 267 E CB -0.365 29.406 29.700 0.118 0.000 0.743 267 E HN 0.614 nan 8.360 nan 0.000 0.453 268 N N 0.339 119.167 118.700 0.213 0.000 2.223 268 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 268 N C 1.760 177.404 175.510 0.224 0.000 1.016 268 N CA 0.769 53.946 53.050 0.211 0.000 0.863 268 N CB -0.067 38.516 38.487 0.160 0.000 0.983 268 N HN 0.064 nan 8.380 nan 0.000 0.429 269 F N 1.800 121.796 119.950 0.078 0.000 2.163 269 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 269 F C 2.705 178.561 175.800 0.093 0.000 1.094 269 F CA 1.931 59.949 58.000 0.030 0.000 1.290 269 F CB -0.769 38.216 39.000 -0.024 0.000 1.017 269 F HN 0.093 nan 8.300 nan 0.000 0.483 270 T N -3.190 111.421 114.554 0.096 0.000 3.054 270 T HA 0.052 4.402 4.350 -0.000 0.000 0.259 270 T C 1.702 176.420 174.700 0.030 0.000 1.092 270 T CA 0.661 62.770 62.100 0.016 0.000 1.121 270 T CB -0.116 68.802 68.868 0.085 0.000 0.912 270 T HN 0.238 nan 8.240 nan 0.000 0.489 271 K N 0.658 121.119 120.400 0.102 0.000 2.399 271 K HA 0.305 4.625 4.320 -0.000 0.000 0.196 271 K C 1.363 178.205 176.600 0.403 0.000 1.117 271 K CA 0.023 56.389 56.287 0.133 0.000 0.965 271 K CB 0.347 32.829 32.500 -0.030 0.000 0.983 271 K HN 0.378 nan 8.250 nan 0.000 0.531 272 G N 1.413 110.444 108.800 0.384 0.000 2.414 272 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.236 272 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.236 272 G C -0.865 174.268 174.900 0.387 0.000 1.293 272 G CA -0.281 45.022 45.100 0.338 0.000 0.869 272 G HN 0.079 nan 8.290 nan 0.000 0.556 273 W N 2.316 123.669 121.300 0.088 0.000 2.253 273 W HA 0.346 5.006 4.660 -0.000 0.000 0.322 273 W C 1.069 177.646 176.519 0.096 0.000 1.342 273 W CA -1.075 56.365 57.345 0.159 0.000 1.218 273 W CB 0.144 29.806 29.460 0.336 0.000 1.205 273 W HN 0.560 nan 8.180 nan 0.000 0.551 274 F N 2.426 122.406 119.950 0.050 0.000 2.095 274 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 274 F C 1.043 176.866 175.800 0.039 0.000 1.104 274 F CA 2.386 60.315 58.000 -0.119 0.000 1.232 274 F CB -0.003 38.724 39.000 -0.454 0.000 0.987 274 F HN 0.012 nan 8.300 nan 0.000 0.475 275 V N -3.626 116.409 119.914 0.201 0.000 3.206 275 V HA 0.304 4.424 4.120 -0.000 0.000 0.305 275 V C 0.700 176.830 176.094 0.061 0.000 1.257 275 V CA -0.662 61.703 62.300 0.109 0.000 1.057 275 V CB 1.297 33.136 31.823 0.027 0.000 1.075 275 V HN 0.100 nan 8.190 nan 0.000 0.443 276 E N 1.478 121.377 120.200 -0.501 0.000 2.171 276 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 276 E C 1.690 178.239 176.600 -0.086 0.000 0.997 276 E CA 2.068 57.914 56.400 -0.922 0.000 0.810 276 E CB -0.393 28.559 29.700 -1.247 0.000 0.738 276 E HN 1.090 nan 8.360 nan 0.000 0.467 277 G N -0.261 108.517 108.800 -0.036 0.000 3.026 277 G HA2 0.042 4.002 3.960 -0.000 0.000 0.208 277 G HA3 0.042 4.002 3.960 -0.000 0.000 0.208 277 G C 0.467 175.398 174.900 0.052 0.000 1.169 277 G CA -0.243 44.882 45.100 0.041 0.000 0.788 277 G HN 0.108 nan 8.290 nan 0.000 0.533 278 M N 1.305 120.930 119.600 0.042 0.000 2.236 278 M HA 0.261 4.741 4.480 -0.000 0.000 0.228 278 M C -2.770 173.304 176.300 -0.377 0.000 0.906 278 M CA -1.760 53.490 55.300 -0.083 0.000 0.761 278 M CB 2.383 34.882 32.600 -0.169 0.000 1.439 278 M HN -0.227 nan 8.290 nan 0.000 0.394 279 P HA -0.054 nan 4.420 nan 0.000 0.264 279 P C -0.898 175.837 177.300 -0.941 0.000 1.183 279 P CA 0.430 62.590 63.100 -1.566 0.000 0.763 279 P CB 0.439 31.667 31.700 -0.786 0.000 0.807 280 D N 2.307 122.009 120.400 -1.162 0.000 2.232 280 D HA 0.248 4.888 4.640 -0.000 0.000 0.242 280 D C -0.365 175.754 176.300 -0.301 0.000 1.093 280 D CA -0.388 53.329 54.000 -0.471 0.000 0.845 280 D CB 0.318 40.967 40.800 -0.252 0.000 1.124 280 D HN 0.180 nan 8.370 nan 0.000 0.467 281 L N 3.612 124.681 121.223 -0.258 0.000 2.367 281 L HA 0.187 4.527 4.340 -0.000 0.000 0.275 281 L C 0.614 177.258 176.870 -0.377 0.000 1.129 281 L CA -0.481 54.156 54.840 -0.338 0.000 0.839 281 L CB 0.386 42.235 42.059 -0.350 0.000 1.133 281 L HN 0.461 nan 8.230 nan 0.000 0.453 282 N N 2.896 121.336 118.700 -0.434 0.000 2.549 282 N HA 0.020 4.760 4.740 -0.000 0.000 0.267 282 N C 0.573 175.800 175.510 -0.472 0.000 1.182 282 N CA 0.183 52.998 53.050 -0.391 0.000 1.019 282 N CB 0.577 38.861 38.487 -0.338 0.000 1.380 282 N HN 0.519 nan 8.380 nan 0.000 0.505 283 Q N 0.272 119.803 119.800 -0.449 0.000 2.482 283 Q HA -0.043 4.297 4.340 -0.000 0.000 0.209 283 Q C 1.463 177.298 176.000 -0.275 0.000 0.961 283 Q CA 0.969 56.455 55.803 -0.530 0.000 0.945 283 Q CB 0.223 28.452 28.738 -0.847 0.000 1.012 283 Q HN 0.721 nan 8.270 nan 0.000 0.515 284 T N -2.059 112.369 114.554 -0.209 0.000 3.055 284 T HA -0.057 4.293 4.350 -0.000 0.000 0.265 284 T C 0.908 175.514 174.700 -0.156 0.000 1.111 284 T CA 0.028 62.054 62.100 -0.124 0.000 1.118 284 T CB -0.031 68.780 68.868 -0.096 0.000 0.909 284 T HN 0.022 nan 8.240 nan 0.000 0.501 285 N N 3.176 121.725 118.700 -0.251 0.000 2.420 285 N HA 0.140 4.880 4.740 -0.000 0.000 0.262 285 N C -1.506 173.842 175.510 -0.269 0.000 1.144 285 N CA -2.099 50.785 53.050 -0.276 0.000 0.952 285 N CB 1.717 39.970 38.487 -0.390 0.000 1.081 285 N HN 0.116 nan 8.380 nan 0.000 0.480 286 P HA -0.149 nan 4.420 nan 0.000 0.219 286 P C 1.538 178.744 177.300 -0.155 0.000 1.146 286 P CA 1.018 64.046 63.100 -0.121 0.000 0.808 286 P CB 0.411 32.062 31.700 -0.082 0.000 0.779 287 L N -0.963 120.103 121.223 -0.261 0.000 2.083 287 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 287 L C 2.694 179.401 176.870 -0.272 0.000 1.083 287 L CA 1.232 55.905 54.840 -0.278 0.000 0.752 287 L CB -1.135 40.646 42.059 -0.462 0.000 0.899 287 L HN -0.142 nan 8.230 nan 0.000 0.433 288 V N -0.004 119.530 119.914 -0.633 0.000 2.379 288 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 288 V C 2.776 178.695 176.094 -0.292 0.000 1.044 288 V CA 1.616 63.447 62.300 -0.782 0.000 1.036 288 V CB -0.758 30.386 31.823 -1.131 0.000 0.664 288 V HN 0.444 nan 8.190 nan 0.000 0.453 289 A N 0.762 123.460 122.820 -0.202 0.000 1.865 289 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 289 A C 2.071 179.797 177.584 0.236 0.000 1.191 289 A CA 2.267 54.370 52.037 0.111 0.000 0.623 289 A CB -0.799 18.341 19.000 0.234 0.000 0.826 289 A HN 0.582 nan 8.150 nan 0.000 0.444 290 N N -1.424 117.355 118.700 0.131 0.000 2.104 290 N HA -0.199 4.541 4.740 -0.000 0.000 0.190 290 N C 1.571 177.204 175.510 0.204 0.000 1.024 290 N CA 1.784 54.918 53.050 0.141 0.000 0.853 290 N CB -0.711 37.839 38.487 0.105 0.000 1.008 290 N HN 0.695 nan 8.380 nan 0.000 0.424 291 Y N 1.476 121.864 120.300 0.147 0.000 2.128 291 Y HA -0.125 4.425 4.550 -0.000 0.000 0.284 291 Y C 2.216 178.266 175.900 0.251 0.000 1.154 291 Y CA 1.485 59.736 58.100 0.250 0.000 1.149 291 Y CB -0.338 38.308 38.460 0.310 0.000 0.976 291 Y HN -0.021 nan 8.280 nan 0.000 0.505 292 L N -0.634 120.778 121.223 0.316 0.000 2.072 292 L HA -0.196 4.144 4.340 -0.000 0.000 0.205 292 L C 2.398 179.473 176.870 0.343 0.000 1.079 292 L CA 1.265 56.269 54.840 0.274 0.000 0.752 292 L CB -0.525 41.705 42.059 0.285 0.000 0.906 292 L HN 0.262 nan 8.230 nan 0.000 0.436 293 I N -0.451 120.356 120.570 0.395 0.000 2.163 293 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 293 I C 2.662 178.922 176.117 0.238 0.000 1.085 293 I CA 1.485 62.956 61.300 0.286 0.000 1.347 293 I CB -0.276 37.819 38.000 0.159 0.000 1.044 293 I HN 0.332 nan 8.210 nan 0.000 0.408 294 Q N 0.146 120.077 119.800 0.219 0.000 2.119 294 Q HA -0.214 4.126 4.340 -0.000 0.000 0.201 294 Q C 2.103 178.361 176.000 0.430 0.000 0.972 294 Q CA 1.489 57.493 55.803 0.335 0.000 0.847 294 Q CB -0.369 28.415 28.738 0.076 0.000 0.903 294 Q HN 0.526 nan 8.270 nan 0.000 0.433 295 N N 0.796 119.586 118.700 0.149 0.000 2.120 295 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 295 N C 1.207 176.891 175.510 0.290 0.000 1.024 295 N CA 1.276 54.312 53.050 -0.023 0.000 0.852 295 N CB 0.075 38.309 38.487 -0.421 0.000 1.003 295 N HN 0.188 nan 8.380 nan 0.000 0.424 296 N N 1.017 119.922 118.700 0.341 0.000 2.216 296 N HA 0.014 4.754 4.740 -0.000 0.000 0.183 296 N C 1.913 177.659 175.510 0.393 0.000 1.017 296 N CA 0.544 53.846 53.050 0.419 0.000 0.861 296 N CB -0.296 38.431 38.487 0.400 0.000 0.986 296 N HN 0.336 nan 8.380 nan 0.000 0.428 297 I N -0.622 120.165 120.570 0.362 0.000 2.208 297 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 297 I C 2.167 178.447 176.117 0.272 0.000 1.097 297 I CA 0.990 62.489 61.300 0.331 0.000 1.363 297 I CB -0.182 38.027 38.000 0.348 0.000 1.051 297 I HN 0.245 nan 8.210 nan 0.000 0.413 298 W N 0.957 122.404 121.300 0.245 0.000 2.335 298 W HA -0.246 4.414 4.660 -0.000 0.000 0.311 298 W C 2.173 178.814 176.519 0.202 0.000 1.213 298 W CA 1.464 58.956 57.345 0.246 0.000 1.274 298 W CB -0.566 29.101 29.460 0.345 0.000 1.148 298 W HN 0.083 nan 8.180 nan 0.000 0.498 299 W N 0.172 121.757 121.300 0.474 0.000 2.358 299 W HA -0.159 4.501 4.660 0.000 0.000 0.303 299 W C 2.339 178.919 176.519 0.101 0.000 1.208 299 W CA 1.355 58.889 57.345 0.315 0.000 1.274 299 W CB -0.779 28.891 29.460 0.350 0.000 1.138 299 W HN -0.185 nan 8.180 nan 0.000 0.515 300 I N -0.103 120.610 120.570 0.239 0.000 2.179 300 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 300 I C 2.374 178.370 176.117 -0.202 0.000 1.088 300 I CA 1.665 62.931 61.300 -0.057 0.000 1.357 300 I CB -0.517 37.305 38.000 -0.296 0.000 1.051 300 I HN -0.073 nan 8.210 nan 0.000 0.409 301 E N 0.321 120.342 120.200 -0.298 0.000 2.047 301 E HA -0.263 4.087 4.350 -0.000 0.000 0.191 301 E C 2.115 178.518 176.600 -0.327 0.000 0.987 301 E CA 1.382 57.432 56.400 -0.583 0.000 0.799 301 E CB -0.344 28.486 29.700 -1.450 0.000 0.752 301 E HN 0.462 nan 8.360 nan 0.000 0.449 302 Y N 0.058 120.178 120.300 -0.300 0.000 2.200 302 Y HA 0.016 4.566 4.550 -0.000 0.000 0.290 302 Y C 1.761 177.657 175.900 -0.006 0.000 1.137 302 Y CA 1.708 59.774 58.100 -0.057 0.000 1.163 302 Y CB -0.455 37.705 38.460 -0.500 0.000 0.988 302 Y HN 0.085 nan 8.280 nan 0.000 0.518 303 A N -0.720 122.062 122.820 -0.063 0.000 2.308 303 A HA 0.406 4.726 4.320 -0.000 0.000 0.217 303 A C 1.602 179.092 177.584 -0.157 0.000 1.216 303 A CA 0.443 52.403 52.037 -0.128 0.000 0.864 303 A CB -1.112 18.008 19.000 0.200 0.000 0.902 303 A HN 0.850 nan 8.150 nan 0.000 0.499 304 G N 0.237 108.954 108.800 -0.139 0.000 2.323 304 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.292 304 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.292 304 G C 0.052 174.864 174.900 -0.146 0.000 1.040 304 G CA 0.461 45.469 45.100 -0.154 0.000 0.942 304 G HN 0.494 nan 8.290 nan 0.000 0.506 305 L N -0.489 120.656 121.223 -0.130 0.000 2.464 305 L HA 0.348 4.688 4.340 -0.000 0.000 0.264 305 L C 1.635 178.440 176.870 -0.108 0.000 1.199 305 L CA 0.015 54.801 54.840 -0.090 0.000 0.818 305 L CB 1.055 43.103 42.059 -0.019 0.000 1.102 305 L HN 0.143 nan 8.230 nan 0.000 0.473 306 S N -0.068 115.615 115.700 -0.028 0.000 2.556 306 S HA 0.369 4.838 4.470 -0.000 0.000 0.216 306 S C 0.391 175.044 174.600 0.089 0.000 0.970 306 S CA 0.364 58.573 58.200 0.016 0.000 0.912 306 S CB 0.474 63.721 63.200 0.079 0.000 0.790 306 S HN 0.947 nan 8.310 nan 0.000 0.504 307 G N 0.441 109.304 108.800 0.105 0.000 2.324 307 G HA2 0.401 4.361 3.960 -0.000 0.000 0.293 307 G HA3 0.401 4.361 3.960 -0.000 0.000 0.293 307 G C -2.315 172.705 174.900 0.200 0.000 1.297 307 G CA -0.977 44.242 45.100 0.198 0.000 0.853 307 G HN 0.147 nan 8.290 nan 0.000 0.535 308 L N -0.197 121.167 121.223 0.235 0.000 2.393 308 L HA 0.757 5.097 4.340 -0.000 0.000 0.260 308 L C -0.157 176.730 176.870 0.029 0.000 1.002 308 L CA -1.129 53.778 54.840 0.111 0.000 0.818 308 L CB 2.460 44.602 42.059 0.138 0.000 1.369 308 L HN 0.586 nan 8.230 nan 0.000 0.412 309 R N 2.460 122.860 120.500 -0.167 0.000 2.437 309 R HA 0.597 4.937 4.340 -0.000 0.000 0.310 309 R C -1.532 174.698 176.300 -0.117 0.000 0.955 309 R CA -0.483 55.412 56.100 -0.343 0.000 0.851 309 R CB 1.243 30.935 30.300 -1.012 0.000 1.161 309 R HN 0.616 nan 8.270 nan 0.000 0.446 310 I N 3.636 124.193 120.570 -0.022 0.000 2.328 310 I HA 0.140 4.310 4.170 -0.000 0.000 0.287 310 I C 0.237 176.426 176.117 0.121 0.000 1.012 310 I CA -0.782 60.578 61.300 0.099 0.000 1.195 310 I CB 1.568 39.706 38.000 0.230 0.000 1.350 310 I HN 0.518 nan 8.210 nan 0.000 0.464 311 D N 4.261 124.727 120.400 0.110 0.000 2.368 311 D HA 0.058 4.698 4.640 -0.000 0.000 0.240 311 D C 0.494 176.844 176.300 0.083 0.000 1.169 311 D CA 0.603 54.670 54.000 0.113 0.000 0.906 311 D CB 0.733 41.614 40.800 0.136 0.000 1.187 311 D HN 0.765 nan 8.370 nan 0.000 0.435 312 T N 0.427 115.033 114.554 0.087 0.000 3.473 312 T HA -0.334 4.016 4.350 -0.000 0.000 0.403 312 T C 0.847 175.690 174.700 0.238 0.000 0.768 312 T CA 1.164 63.355 62.100 0.152 0.000 2.009 312 T CB -2.184 66.570 68.868 -0.191 0.000 1.715 312 T HN 0.518 nan 8.240 nan 0.000 0.666 313 Y N 1.864 122.200 120.300 0.061 0.000 2.070 313 Y HA 0.068 4.618 4.550 -0.000 0.000 0.280 313 Y C 2.419 178.164 175.900 -0.258 0.000 1.148 313 Y CA 2.288 60.294 58.100 -0.156 0.000 1.125 313 Y CB -0.839 37.431 38.460 -0.317 0.000 0.975 313 Y HN 0.542 nan 8.280 nan 0.000 0.492 314 G N -2.370 106.285 108.800 -0.240 0.000 2.744 314 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.211 314 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.211 314 G C 0.959 175.826 174.900 -0.056 0.000 1.143 314 G CA 0.241 45.213 45.100 -0.213 0.000 0.788 314 G HN 0.527 nan 8.290 nan 0.000 0.534 315 Y N 1.262 121.401 120.300 -0.269 0.000 2.616 315 Y HA 0.139 4.689 4.550 -0.000 0.000 0.296 315 Y C 1.681 177.421 175.900 -0.266 0.000 1.154 315 Y CA 0.011 57.816 58.100 -0.493 0.000 1.325 315 Y CB 0.169 38.404 38.460 -0.374 0.000 1.007 315 Y HN 0.022 nan 8.280 nan 0.000 0.542 316 S N 0.039 115.682 115.700 -0.094 0.000 2.610 316 S HA 0.043 4.513 4.470 -0.000 0.000 0.273 316 S C -0.444 174.171 174.600 0.025 0.000 1.274 316 S CA -0.985 57.171 58.200 -0.074 0.000 1.023 316 S CB 0.626 63.787 63.200 -0.065 0.000 0.962 316 S HN 0.251 nan 8.310 nan 0.000 0.523 317 D N 1.075 121.506 120.400 0.051 0.000 2.531 317 D HA 0.145 4.785 4.640 -0.000 0.000 0.239 317 D C 1.407 177.853 176.300 0.244 0.000 1.144 317 D CA 0.604 54.680 54.000 0.128 0.000 0.869 317 D CB 0.418 41.270 40.800 0.088 0.000 1.160 317 D HN 0.523 nan 8.370 nan 0.000 0.484 318 G N 3.163 112.117 108.800 0.257 0.000 2.418 318 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.217 318 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.217 318 G C 1.464 176.635 174.900 0.450 0.000 1.158 318 G CA 0.780 46.113 45.100 0.388 0.000 0.771 318 G HN 0.644 nan 8.290 nan 0.000 0.545 319 A N 0.489 123.493 122.820 0.306 0.000 1.933 319 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 319 A C 2.158 179.856 177.584 0.190 0.000 1.175 319 A CA 1.622 53.789 52.037 0.217 0.000 0.628 319 A CB -0.553 18.535 19.000 0.148 0.000 0.814 319 A HN 0.491 nan 8.150 nan 0.000 0.444 320 F N 0.669 120.670 119.950 0.085 0.000 2.126 320 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 320 F C 1.791 177.660 175.800 0.115 0.000 1.096 320 F CA 1.788 59.822 58.000 0.058 0.000 1.255 320 F CB -0.369 38.623 39.000 -0.013 0.000 0.997 320 F HN 0.139 nan 8.300 nan 0.000 0.479 321 L N -0.223 120.955 121.223 -0.076 0.000 2.083 321 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 321 L C 2.409 179.316 176.870 0.061 0.000 1.083 321 L CA 1.762 56.526 54.840 -0.126 0.000 0.752 321 L CB -1.188 40.931 42.059 0.100 0.000 0.899 321 L HN 0.176 nan 8.230 nan 0.000 0.433 322 T N -0.830 113.800 114.554 0.128 0.000 2.635 322 T HA -0.294 4.056 4.350 -0.000 0.000 0.267 322 T C 1.763 176.463 174.700 0.000 0.000 1.040 322 T CA 1.941 64.064 62.100 0.039 0.000 1.156 322 T CB -0.192 68.640 68.868 -0.060 0.000 0.863 322 T HN 0.456 nan 8.240 nan 0.000 0.430 323 E N -0.334 119.834 120.200 -0.053 0.000 2.072 323 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 323 E C 2.118 178.636 176.600 -0.137 0.000 0.985 323 E CA 0.833 57.183 56.400 -0.084 0.000 0.801 323 E CB -0.296 29.375 29.700 -0.049 0.000 0.750 323 E HN 0.653 nan 8.360 nan 0.000 0.452 324 Y N 2.008 122.057 120.300 -0.418 0.000 2.128 324 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 324 Y C 2.597 178.386 175.900 -0.184 0.000 1.154 324 Y CA 2.917 60.770 58.100 -0.413 0.000 1.149 324 Y CB -0.734 37.223 38.460 -0.838 0.000 0.976 324 Y HN 0.212 nan 8.280 nan 0.000 0.505 325 T N -1.229 113.380 114.554 0.092 0.000 2.821 325 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 325 T C 2.075 176.716 174.700 -0.099 0.000 1.046 325 T CA 1.364 63.520 62.100 0.094 0.000 1.139 325 T CB -0.543 68.498 68.868 0.289 0.000 0.871 325 T HN 0.397 nan 8.240 nan 0.000 0.454 326 R N 0.795 121.181 120.500 -0.189 0.000 2.073 326 R HA -0.060 4.280 4.340 -0.000 0.000 0.234 326 R C 2.818 178.903 176.300 -0.358 0.000 1.134 326 R CA 1.005 56.806 56.100 -0.499 0.000 0.952 326 R CB -0.133 29.960 30.300 -0.345 0.000 0.850 326 R HN 0.243 nan 8.270 nan 0.000 0.433 327 R N 0.531 120.870 120.500 -0.268 0.000 2.080 327 R HA -0.123 4.217 4.340 -0.000 0.000 0.236 327 R C 2.314 178.475 176.300 -0.232 0.000 1.137 327 R CA 1.029 56.986 56.100 -0.239 0.000 0.943 327 R CB -0.833 29.321 30.300 -0.243 0.000 0.846 327 R HN 0.302 nan 8.270 nan 0.000 0.431 328 L N 0.343 121.393 121.223 -0.289 0.000 2.017 328 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 328 L C 2.323 179.149 176.870 -0.073 0.000 1.073 328 L CA 1.508 56.241 54.840 -0.178 0.000 0.745 328 L CB -0.692 41.200 42.059 -0.280 0.000 0.894 328 L HN 0.186 nan 8.230 nan 0.000 0.432 329 M N -1.058 118.478 119.600 -0.107 0.000 2.419 329 M HA -0.020 4.460 4.480 -0.000 0.000 0.264 329 M C 2.372 178.613 176.300 -0.098 0.000 1.082 329 M CA 1.132 56.400 55.300 -0.052 0.000 1.119 329 M CB -1.353 31.244 32.600 -0.005 0.000 1.398 329 M HN 0.181 nan 8.290 nan 0.000 0.453 330 A N 0.204 122.922 122.820 -0.169 0.000 1.930 330 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 330 A C 2.110 179.582 177.584 -0.188 0.000 1.175 330 A CA 1.202 53.149 52.037 -0.150 0.000 0.627 330 A CB -0.312 18.604 19.000 -0.139 0.000 0.815 330 A HN 0.371 nan 8.150 nan 0.000 0.443 331 E N -0.914 119.106 120.200 -0.300 0.000 2.072 331 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 331 E C -0.345 175.826 176.600 -0.715 0.000 0.985 331 E CA 1.021 57.048 56.400 -0.620 0.000 0.801 331 E CB -0.214 28.880 29.700 -1.010 0.000 0.750 331 E HN 0.735 nan 8.360 nan 0.000 0.452 332 Y N 0.227 120.481 120.300 -0.077 0.000 2.662 332 Y HA 0.226 4.776 4.550 0.000 0.000 0.358 332 Y C -1.725 174.134 175.900 -0.069 0.000 1.041 332 Y CA -2.436 55.617 58.100 -0.078 0.000 1.184 332 Y CB 1.179 39.586 38.460 -0.087 0.000 1.114 332 Y HN -0.022 nan 8.280 nan 0.000 0.650 333 P HA -0.146 nan 4.420 nan 0.000 0.221 333 P C 0.802 178.108 177.300 0.010 0.000 1.145 333 P CA 1.359 64.468 63.100 0.016 0.000 0.795 333 P CB 0.429 32.127 31.700 -0.002 0.000 0.775 334 R N -1.365 119.141 120.500 0.010 0.000 2.317 334 R HA 0.184 4.524 4.340 -0.000 0.000 0.208 334 R C 0.852 177.110 176.300 -0.070 0.000 0.914 334 R CA -0.630 55.452 56.100 -0.030 0.000 1.060 334 R CB -0.317 29.966 30.300 -0.028 0.000 1.015 334 R HN 0.163 nan 8.270 nan 0.000 0.498 335 L N 0.992 122.189 121.223 -0.044 0.000 2.479 335 L HA 0.048 4.388 4.340 -0.000 0.000 0.270 335 L C 0.054 176.784 176.870 -0.233 0.000 1.236 335 L CA 0.569 55.342 54.840 -0.113 0.000 0.823 335 L CB 0.410 42.446 42.059 -0.038 0.000 1.098 335 L HN -0.035 nan 8.230 nan 0.000 0.500 336 N N 2.477 120.919 118.700 -0.430 0.000 2.272 336 N HA 0.577 5.317 4.740 -0.000 0.000 0.305 336 N C -1.600 173.663 175.510 -0.412 0.000 1.103 336 N CA -0.434 52.216 53.050 -0.667 0.000 0.791 336 N CB 1.507 39.089 38.487 -1.509 0.000 1.356 336 N HN 0.519 nan 8.380 nan 0.000 0.486 337 M N 1.887 121.378 119.600 -0.183 0.000 2.267 337 M HA 0.274 4.754 4.480 -0.000 0.000 0.289 337 M C -1.124 175.214 176.300 0.062 0.000 1.043 337 M CA -0.981 54.349 55.300 0.050 0.000 0.928 337 M CB 2.533 35.188 32.600 0.092 0.000 1.613 337 M HN 0.164 nan 8.290 nan 0.000 0.450 338 V N 3.264 123.252 119.914 0.123 0.000 2.334 338 V HA 0.755 4.875 4.120 -0.000 0.000 0.281 338 V C 0.089 176.123 176.094 -0.101 0.000 1.016 338 V CA -0.113 62.194 62.300 0.011 0.000 0.832 338 V CB 1.310 33.146 31.823 0.022 0.000 0.999 338 V HN 0.938 nan 8.190 nan 0.000 0.439 339 G N 4.752 113.433 108.800 -0.199 0.000 2.390 339 G HA2 0.286 4.246 3.960 -0.000 0.000 0.270 339 G HA3 0.286 4.246 3.960 -0.000 0.000 0.270 339 G C -0.287 174.548 174.900 -0.109 0.000 1.211 339 G CA -0.287 44.630 45.100 -0.304 0.000 0.842 339 G HN 0.761 nan 8.290 nan 0.000 0.519 340 Q N 1.197 121.026 119.800 0.049 0.000 2.490 340 Q HA 0.156 4.496 4.340 -0.000 0.000 0.226 340 Q C -0.767 175.393 176.000 0.267 0.000 1.132 340 Q CA -0.394 55.524 55.803 0.193 0.000 0.928 340 Q CB 0.692 29.541 28.738 0.184 0.000 1.299 340 Q HN 0.530 nan 8.270 nan 0.000 0.528 341 E N 5.048 125.415 120.200 0.280 0.000 2.121 341 E HA 0.068 4.418 4.350 -0.000 0.000 0.255 341 E C -1.622 175.145 176.600 0.278 0.000 0.906 341 E CA -0.491 56.066 56.400 0.262 0.000 0.745 341 E CB 0.264 30.075 29.700 0.184 0.000 1.155 341 E HN 0.452 nan 8.360 nan 0.000 0.424 342 W N 5.447 126.675 121.300 -0.119 0.000 2.247 342 W HA 0.470 5.130 4.660 -0.000 0.000 0.394 342 W C -0.890 175.434 176.519 -0.326 0.000 0.939 342 W CA -0.670 56.249 57.345 -0.710 0.000 1.548 342 W CB -0.027 28.971 29.460 -0.770 0.000 1.610 342 W HN 0.429 nan 8.180 nan 0.000 0.336 343 S N 2.796 118.625 115.700 0.215 0.000 2.540 343 S HA 0.406 4.876 4.470 -0.000 0.000 0.275 343 S C 0.460 175.240 174.600 0.300 0.000 1.123 343 S CA -0.429 57.909 58.200 0.231 0.000 0.907 343 S CB 1.589 64.905 63.200 0.193 0.000 1.081 343 S HN 0.149 nan 8.310 nan 0.000 0.476 344 T N 3.185 117.888 114.554 0.249 0.000 3.129 344 T HA 0.195 4.545 4.350 -0.000 0.000 0.251 344 T C 0.457 175.256 174.700 0.165 0.000 1.117 344 T CA 0.274 62.517 62.100 0.238 0.000 1.034 344 T CB -0.156 68.836 68.868 0.206 0.000 0.968 344 T HN 0.393 nan 8.240 nan 0.000 0.526 345 R N 1.101 121.685 120.500 0.139 0.000 2.202 345 R HA 0.345 4.685 4.340 -0.000 0.000 0.334 345 R C 0.928 177.277 176.300 0.082 0.000 1.036 345 R CA -0.314 55.836 56.100 0.084 0.000 0.878 345 R CB 1.064 31.394 30.300 0.051 0.000 1.067 345 R HN 0.018 nan 8.270 nan 0.000 0.457 346 V N 5.515 125.454 119.914 0.041 0.000 2.282 346 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 346 V C -0.954 175.058 176.094 -0.137 0.000 1.057 346 V CA 1.815 64.102 62.300 -0.021 0.000 1.032 346 V CB -0.910 30.856 31.823 -0.094 0.000 0.645 346 V HN 0.661 nan 8.190 nan 0.000 0.447 347 P HA -0.098 nan 4.420 nan 0.000 0.218 347 P C 1.861 179.115 177.300 -0.076 0.000 1.148 347 P CA 1.176 64.192 63.100 -0.141 0.000 0.822 347 P CB -0.071 31.566 31.700 -0.105 0.000 0.784 348 V N -0.753 119.163 119.914 0.003 0.000 2.427 348 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 348 V C 2.419 178.638 176.094 0.208 0.000 1.051 348 V CA 1.582 63.926 62.300 0.074 0.000 1.048 348 V CB -1.056 30.830 31.823 0.106 0.000 0.666 348 V HN -0.027 nan 8.190 nan 0.000 0.456 349 V N 0.410 120.472 119.914 0.246 0.000 2.379 349 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 349 V C 2.695 179.016 176.094 0.380 0.000 1.044 349 V CA 1.835 64.382 62.300 0.411 0.000 1.036 349 V CB -1.079 31.009 31.823 0.442 0.000 0.664 349 V HN 0.534 nan 8.190 nan 0.000 0.453 350 A N -0.007 122.863 122.820 0.084 0.000 2.015 350 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 350 A C 2.374 179.970 177.584 0.019 0.000 1.163 350 A CA 1.470 53.461 52.037 -0.077 0.000 0.646 350 A CB -0.607 18.020 19.000 -0.621 0.000 0.806 350 A HN 0.370 nan 8.150 nan 0.000 0.448 351 R N -0.830 119.627 120.500 -0.072 0.000 2.154 351 R HA -0.220 4.120 4.340 -0.000 0.000 0.248 351 R C 1.421 177.635 176.300 -0.144 0.000 1.155 351 R CA 2.022 57.991 56.100 -0.218 0.000 0.979 351 R CB -0.424 29.569 30.300 -0.512 0.000 0.869 351 R HN 0.770 nan 8.270 nan 0.000 0.452 352 W N 0.606 122.006 121.300 0.166 0.000 3.003 352 W HA 0.172 4.832 4.660 -0.000 0.000 0.257 352 W C 0.974 177.591 176.519 0.163 0.000 1.308 352 W CA -0.511 56.970 57.345 0.227 0.000 1.529 352 W CB 0.188 29.746 29.460 0.165 0.000 1.115 352 W HN 0.098 nan 8.180 nan 0.000 0.659 353 Q N 2.615 122.597 119.800 0.303 0.000 2.288 353 Q HA 0.118 4.458 4.340 -0.000 0.000 0.254 353 Q C 0.816 176.893 176.000 0.127 0.000 0.932 353 Q CA -0.716 55.209 55.803 0.202 0.000 0.902 353 Q CB 0.710 29.573 28.738 0.209 0.000 1.203 353 Q HN 0.133 nan 8.270 nan 0.000 0.415 354 R N 2.185 122.729 120.500 0.074 0.000 2.566 354 R HA 0.079 4.418 4.340 -0.000 0.000 0.273 354 R C 0.606 176.890 176.300 -0.027 0.000 0.981 354 R CA 0.762 56.851 56.100 -0.019 0.000 1.091 354 R CB -0.204 30.062 30.300 -0.057 0.000 0.924 354 R HN 0.905 nan 8.270 nan 0.000 0.411 355 G N 1.360 110.118 108.800 -0.070 0.000 2.175 355 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.244 355 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.244 355 G C -0.002 174.888 174.900 -0.018 0.000 0.982 355 G CA 0.396 45.467 45.100 -0.048 0.000 0.641 355 G HN 0.727 nan 8.290 nan 0.000 0.527 356 K N 1.500 121.900 120.400 -0.000 0.000 2.368 356 K HA 0.654 4.974 4.320 -0.000 0.000 0.282 356 K C 0.516 177.112 176.600 -0.007 0.000 1.035 356 K CA 0.532 56.826 56.287 0.011 0.000 0.973 356 K CB 0.729 33.247 32.500 0.030 0.000 0.957 356 K HN 0.849 nan 8.250 nan 0.000 0.474 357 A N 5.134 127.954 122.820 -0.001 0.000 2.316 357 A HA 0.290 4.610 4.320 -0.000 0.000 0.311 357 A C -0.692 176.895 177.584 0.005 0.000 1.339 357 A CA -0.578 51.455 52.037 -0.005 0.000 0.960 357 A CB -0.473 18.529 19.000 0.003 0.000 1.152 357 A HN 0.937 nan 8.150 nan 0.000 0.547 358 N N 0.924 119.615 118.700 -0.015 0.000 2.487 358 N HA 0.417 5.157 4.740 -0.000 0.000 0.292 358 N C 0.820 176.301 175.510 -0.048 0.000 1.108 358 N CA -0.545 52.493 53.050 -0.019 0.000 0.956 358 N CB 0.801 39.250 38.487 -0.064 0.000 1.176 358 N HN 0.679 nan 8.380 nan 0.000 0.484 359 F N 0.927 120.844 119.950 -0.055 0.000 2.202 359 F HA -0.098 4.429 4.527 0.000 0.000 0.301 359 F C 1.282 177.054 175.800 -0.047 0.000 1.082 359 F CA 0.849 58.815 58.000 -0.057 0.000 1.313 359 F CB -0.213 38.737 39.000 -0.082 0.000 1.024 359 F HN 0.415 nan 8.300 nan 0.000 0.495 360 D N -0.828 118.890 120.400 -1.138 0.000 2.342 360 D HA 0.189 4.829 4.640 -0.000 0.000 0.221 360 D C 1.795 177.884 176.300 -0.352 0.000 1.101 360 D CA 0.282 53.784 54.000 -0.831 0.000 0.837 360 D CB -0.333 39.810 40.800 -1.095 0.000 0.938 360 D HN 0.501 nan 8.370 nan 0.000 0.508 361 G N 0.387 109.043 108.800 -0.240 0.000 2.166 361 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.260 361 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.260 361 G C -0.073 174.765 174.900 -0.103 0.000 0.986 361 G CA 0.262 45.284 45.100 -0.130 0.000 0.683 361 G HN 0.530 nan 8.290 nan 0.000 0.527 362 Y N 2.527 122.694 120.300 -0.222 0.000 2.620 362 Y HA 0.419 4.969 4.550 0.000 0.000 0.330 362 Y C 1.078 176.919 175.900 -0.097 0.000 1.186 362 Y CA 0.659 58.661 58.100 -0.163 0.000 1.467 362 Y CB 0.583 38.903 38.460 -0.233 0.000 1.262 362 Y HN 0.468 nan 8.280 nan 0.000 0.550 363 T N 2.301 116.403 114.554 -0.753 0.000 2.908 363 T HA 0.703 5.053 4.350 -0.000 0.000 0.290 363 T C -0.681 173.675 174.700 -0.573 0.000 1.034 363 T CA -0.826 60.988 62.100 -0.477 0.000 1.010 363 T CB 1.685 70.404 68.868 -0.248 0.000 1.068 363 T HN 0.640 nan 8.240 nan 0.000 0.481 364 S N -0.301 115.276 115.700 -0.205 0.000 2.537 364 S HA 0.459 4.929 4.470 -0.000 0.000 0.270 364 S C -1.073 173.537 174.600 0.015 0.000 1.142 364 S CA -0.635 57.586 58.200 0.035 0.000 0.870 364 S CB 1.307 64.684 63.200 0.294 0.000 1.112 364 S HN 0.878 nan 8.310 nan 0.000 0.466 365 H N 1.653 120.768 119.070 0.075 0.000 2.542 365 H HA 0.392 4.948 4.556 -0.000 0.000 0.283 365 H C -0.020 175.354 175.328 0.077 0.000 1.059 365 H CA -0.229 55.850 56.048 0.052 0.000 1.162 365 H CB 0.408 30.181 29.762 0.018 0.000 1.539 365 H HN 0.344 nan 8.280 nan 0.000 0.543 366 L N 2.700 124.054 121.223 0.218 0.000 2.562 366 L HA 0.119 4.459 4.340 -0.000 0.000 0.271 366 L C -1.756 175.155 176.870 0.069 0.000 1.167 366 L CA -1.130 53.800 54.840 0.150 0.000 0.917 366 L CB 0.978 43.117 42.059 0.132 0.000 1.187 366 L HN -0.005 nan 8.230 nan 0.000 0.482 367 P HA -0.001 nan 4.420 nan 0.000 0.222 367 P C -0.307 176.971 177.300 -0.038 0.000 1.153 367 P CA 0.531 63.615 63.100 -0.027 0.000 0.798 367 P CB 0.381 32.027 31.700 -0.090 0.000 0.796 368 S N -1.705 113.971 115.700 -0.039 0.000 2.579 368 S HA 0.695 5.165 4.470 -0.000 0.000 0.272 368 S C -1.742 172.832 174.600 -0.044 0.000 1.141 368 S CA -0.618 57.561 58.200 -0.035 0.000 0.843 368 S CB 0.358 63.553 63.200 -0.010 0.000 1.122 368 S HN -0.208 nan 8.310 nan 0.000 0.468 369 L N 2.319 123.524 121.223 -0.030 0.000 2.359 369 L HA 0.641 4.981 4.340 -0.000 0.000 0.256 369 L C -0.542 176.323 176.870 -0.010 0.000 1.026 369 L CA -0.763 54.068 54.840 -0.015 0.000 0.828 369 L CB 1.739 43.852 42.059 0.089 0.000 1.406 369 L HN 0.550 nan 8.230 nan 0.000 0.413 370 M N 1.242 120.845 119.600 0.005 0.000 2.200 370 M HA 0.101 4.581 4.480 -0.000 0.000 0.355 370 M C -0.179 176.142 176.300 0.036 0.000 1.283 370 M CA -0.068 55.192 55.300 -0.065 0.000 1.124 370 M CB 0.350 32.740 32.600 -0.349 0.000 1.625 370 M HN 0.428 nan 8.290 nan 0.000 0.463 371 D N 3.125 123.542 120.400 0.029 0.000 2.713 371 D HA 0.110 4.750 4.640 -0.000 0.000 0.229 371 D C 0.792 177.068 176.300 -0.040 0.000 1.136 371 D CA -0.108 53.894 54.000 0.002 0.000 1.010 371 D CB -0.320 40.421 40.800 -0.099 0.000 1.084 371 D HN 0.339 nan 8.370 nan 0.000 0.495 372 F N 0.919 120.980 119.950 0.184 0.000 2.120 372 F HA -0.089 4.438 4.527 -0.000 0.000 0.300 372 F C -0.512 175.338 175.800 0.085 0.000 1.095 372 F CA 0.868 58.946 58.000 0.130 0.000 1.249 372 F CB -1.372 37.705 39.000 0.127 0.000 0.995 372 F HN 0.334 nan 8.300 nan 0.000 0.480 373 P HA -0.186 nan 4.420 nan 0.000 0.215 373 P C 1.900 179.272 177.300 0.120 0.000 1.153 373 P CA 1.203 64.424 63.100 0.202 0.000 0.853 373 P CB 0.012 31.833 31.700 0.202 0.000 0.788 374 L N -1.010 120.264 121.223 0.085 0.000 2.131 374 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 374 L C 2.152 179.044 176.870 0.037 0.000 1.087 374 L CA 1.519 56.411 54.840 0.087 0.000 0.767 374 L CB -1.063 41.064 42.059 0.113 0.000 0.917 374 L HN -0.208 nan 8.230 nan 0.000 0.441 375 V N -0.181 119.662 119.914 -0.119 0.000 2.295 375 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 375 V C 2.287 178.340 176.094 -0.068 0.000 1.049 375 V CA 2.027 64.192 62.300 -0.226 0.000 1.024 375 V CB -0.724 30.663 31.823 -0.726 0.000 0.648 375 V HN 0.550 nan 8.190 nan 0.000 0.447 376 D N 0.109 120.521 120.400 0.020 0.000 2.123 376 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 376 D C 2.093 178.409 176.300 0.027 0.000 0.992 376 D CA 1.509 55.555 54.000 0.077 0.000 0.833 376 D CB -0.143 40.748 40.800 0.152 0.000 0.954 376 D HN 0.385 nan 8.370 nan 0.000 0.455 377 A N -0.083 122.743 122.820 0.009 0.000 1.877 377 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 377 A C 2.158 179.682 177.584 -0.099 0.000 1.186 377 A CA 1.924 53.941 52.037 -0.034 0.000 0.620 377 A CB -0.762 18.220 19.000 -0.031 0.000 0.822 377 A HN 0.376 nan 8.150 nan 0.000 0.443 378 M N -0.088 119.428 119.600 -0.139 0.000 2.132 378 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 378 M C 2.033 178.258 176.300 -0.125 0.000 1.065 378 M CA 1.484 56.640 55.300 -0.241 0.000 1.122 378 M CB -0.605 31.761 32.600 -0.389 0.000 1.365 378 M HN 0.381 nan 8.290 nan 0.000 0.411 379 R N -0.252 120.212 120.500 -0.061 0.000 2.091 379 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 379 R C 1.934 178.228 176.300 -0.011 0.000 1.136 379 R CA 1.603 57.695 56.100 -0.014 0.000 0.959 379 R CB -0.754 29.558 30.300 0.019 0.000 0.856 379 R HN 0.470 nan 8.270 nan 0.000 0.437 380 N N 0.773 119.463 118.700 -0.015 0.000 2.084 380 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 380 N C 1.694 177.185 175.510 -0.031 0.000 1.030 380 N CA 1.609 54.652 53.050 -0.013 0.000 0.849 380 N CB -0.433 38.048 38.487 -0.010 0.000 1.012 380 N HN 0.218 nan 8.380 nan 0.000 0.423 381 A N 0.892 123.673 122.820 -0.064 0.000 1.902 381 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 381 A C 2.256 179.811 177.584 -0.048 0.000 1.181 381 A CA 1.029 53.019 52.037 -0.078 0.000 0.623 381 A CB -0.613 18.303 19.000 -0.141 0.000 0.818 381 A HN 0.251 nan 8.150 nan 0.000 0.443 382 L N -0.014 121.185 121.223 -0.040 0.000 2.446 382 L HA -0.035 4.305 4.340 -0.000 0.000 0.219 382 L C 2.629 179.502 176.870 0.005 0.000 1.116 382 L CA 1.088 55.921 54.840 -0.011 0.000 0.844 382 L CB -0.108 41.951 42.059 -0.001 0.000 0.970 382 L HN 0.593 nan 8.230 nan 0.000 0.457 383 S N -1.157 114.543 115.700 0.001 0.000 2.468 383 S HA 0.008 4.478 4.470 -0.000 0.000 0.226 383 S C 1.188 175.790 174.600 0.004 0.000 1.051 383 S CA -0.165 58.039 58.200 0.006 0.000 0.943 383 S CB -0.103 63.103 63.200 0.011 0.000 0.810 383 S HN 0.201 nan 8.310 nan 0.000 0.509 384 K N 3.290 123.690 120.400 -0.000 0.000 2.480 384 K HA 0.153 4.473 4.320 -0.000 0.000 0.241 384 K C 0.919 177.519 176.600 -0.001 0.000 1.261 384 K CA 0.377 56.664 56.287 -0.000 0.000 1.193 384 K CB -0.150 32.348 32.500 -0.003 0.000 1.598 384 K HN 0.604 nan 8.250 nan 0.000 0.278 385 T N -3.165 111.391 114.554 0.004 0.000 3.035 385 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 385 T C 1.896 176.600 174.700 0.007 0.000 1.109 385 T CA 0.861 62.965 62.100 0.007 0.000 1.119 385 T CB 0.090 68.966 68.868 0.013 0.000 0.900 385 T HN 0.406 nan 8.240 nan 0.000 0.503 386 G N 0.977 109.781 108.800 0.006 0.000 2.650 386 G HA2 0.026 3.986 3.960 -0.000 0.000 0.214 386 G HA3 0.026 3.986 3.960 -0.000 0.000 0.214 386 G C 0.586 175.488 174.900 0.004 0.000 1.136 386 G CA -0.209 44.894 45.100 0.006 0.000 0.789 386 G HN 0.439 nan 8.290 nan 0.000 0.536 387 E N 0.442 120.642 120.200 0.001 0.000 2.392 387 E HA 0.038 4.388 4.350 -0.000 0.000 0.264 387 E C 0.815 177.414 176.600 -0.002 0.000 1.024 387 E CA -0.177 56.221 56.400 -0.003 0.000 0.903 387 E CB 1.386 31.081 29.700 -0.009 0.000 0.963 387 E HN 0.400 nan 8.360 nan 0.000 0.432 388 E N 2.047 122.246 120.200 -0.001 0.000 2.150 388 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 388 E C 0.360 176.959 176.600 -0.003 0.000 0.985 388 E CA 0.855 57.255 56.400 0.001 0.000 0.814 388 E CB 0.273 29.975 29.700 0.003 0.000 0.752 388 E HN 0.260 nan 8.360 nan 0.000 0.466 389 N N -1.259 117.433 118.700 -0.012 0.000 2.622 389 N HA 0.128 4.868 4.740 -0.000 0.000 0.293 389 N C 0.353 175.834 175.510 -0.048 0.000 1.788 389 N CA 0.460 53.494 53.050 -0.026 0.000 0.860 389 N CB 0.637 39.111 38.487 -0.022 0.000 1.388 389 N HN 0.107 nan 8.380 nan 0.000 0.496 390 G N 0.078 108.851 108.800 -0.046 0.000 2.475 390 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 390 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 390 G C 1.261 176.094 174.900 -0.112 0.000 1.125 390 G CA 0.645 45.709 45.100 -0.061 0.000 0.755 390 G HN 0.440 nan 8.290 nan 0.000 0.565 391 L N 0.250 121.387 121.223 -0.144 0.000 2.353 391 L HA -0.062 4.278 4.340 -0.000 0.000 0.220 391 L C 2.567 179.221 176.870 -0.361 0.000 1.133 391 L CA 0.667 55.339 54.840 -0.279 0.000 0.798 391 L CB -0.326 41.575 42.059 -0.263 0.000 0.922 391 L HN 0.232 nan 8.230 nan 0.000 0.445 392 N N 0.557 119.133 118.700 -0.208 0.000 2.149 392 N HA -0.283 4.457 4.740 -0.000 0.000 0.188 392 N C 1.788 177.257 175.510 -0.069 0.000 1.019 392 N CA 1.433 54.418 53.050 -0.109 0.000 0.857 392 N CB 0.048 38.519 38.487 -0.026 0.000 0.997 392 N HN 0.348 nan 8.380 nan 0.000 0.426 393 E N -0.653 119.487 120.200 -0.100 0.000 2.118 393 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 393 E C 1.599 178.132 176.600 -0.111 0.000 0.992 393 E CA 1.099 57.451 56.400 -0.080 0.000 0.804 393 E CB 0.082 29.742 29.700 -0.065 0.000 0.741 393 E HN 0.206 nan 8.360 nan 0.000 0.458 394 V N 0.505 120.285 119.914 -0.223 0.000 2.270 394 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 394 V C 2.126 178.120 176.094 -0.166 0.000 1.043 394 V CA 2.004 64.151 62.300 -0.254 0.000 1.014 394 V CB -0.881 30.617 31.823 -0.541 0.000 0.645 394 V HN 0.433 nan 8.190 nan 0.000 0.447 395 Y N 1.555 121.561 120.300 -0.489 0.000 2.097 395 Y HA -0.269 4.281 4.550 0.000 0.000 0.282 395 Y C 2.528 178.400 175.900 -0.047 0.000 1.152 395 Y CA 2.220 60.130 58.100 -0.316 0.000 1.136 395 Y CB -0.443 37.711 38.460 -0.510 0.000 0.975 395 Y HN 0.346 nan 8.280 nan 0.000 0.498 396 E N -0.677 119.372 120.200 -0.251 0.000 2.077 396 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 396 E C 2.103 178.640 176.600 -0.105 0.000 0.989 396 E CA 1.775 58.015 56.400 -0.266 0.000 0.800 396 E CB -0.253 29.380 29.700 -0.111 0.000 0.746 396 E HN 0.512 nan 8.360 nan 0.000 0.452 397 T N 1.760 116.293 114.554 -0.035 0.000 2.708 397 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 397 T C 1.817 176.559 174.700 0.070 0.000 1.037 397 T CA 0.834 62.948 62.100 0.024 0.000 1.146 397 T CB -0.268 68.629 68.868 0.047 0.000 0.865 397 T HN 0.021 nan 8.240 nan 0.000 0.435 398 L N 1.993 123.292 121.223 0.127 0.000 2.127 398 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 398 L C 2.551 179.513 176.870 0.152 0.000 1.089 398 L CA 1.853 56.807 54.840 0.189 0.000 0.757 398 L CB -0.921 41.350 42.059 0.354 0.000 0.899 398 L HN 0.364 nan 8.230 nan 0.000 0.434 399 S N -1.574 114.197 115.700 0.118 0.000 2.474 399 S HA -0.112 4.358 4.470 -0.000 0.000 0.235 399 S C 1.699 176.384 174.600 0.142 0.000 0.997 399 S CA 0.797 59.061 58.200 0.106 0.000 0.949 399 S CB -0.705 62.466 63.200 -0.050 0.000 0.766 399 S HN 0.511 nan 8.310 nan 0.000 0.517 400 L N 1.040 122.279 121.223 0.026 0.000 2.612 400 L HA 0.181 4.521 4.340 -0.000 0.000 0.230 400 L C 1.380 178.055 176.870 -0.326 0.000 1.140 400 L CA 0.077 54.789 54.840 -0.215 0.000 0.896 400 L CB -0.459 41.489 42.059 -0.184 0.000 1.065 400 L HN 0.142 nan 8.230 nan 0.000 0.447 401 D N 0.372 120.764 120.400 -0.013 0.000 2.221 401 D HA -0.229 4.411 4.640 -0.000 0.000 0.204 401 D C 1.920 178.261 176.300 0.068 0.000 0.982 401 D CA 1.253 55.331 54.000 0.131 0.000 0.857 401 D CB -0.053 40.824 40.800 0.128 0.000 0.934 401 D HN 0.571 nan 8.370 nan 0.000 0.475 402 Y N -0.526 119.817 120.300 0.072 0.000 2.483 402 Y HA -0.013 4.537 4.550 -0.000 0.000 0.291 402 Y C 1.812 177.717 175.900 0.009 0.000 1.143 402 Y CA 0.477 58.600 58.100 0.039 0.000 1.289 402 Y CB -0.857 37.611 38.460 0.014 0.000 0.983 402 Y HN -0.048 nan 8.280 nan 0.000 0.556 403 L N -0.811 120.029 121.223 -0.638 0.000 2.275 403 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 403 L C 0.041 176.716 176.870 -0.324 0.000 1.119 403 L CA 0.445 54.989 54.840 -0.493 0.000 0.790 403 L CB -0.410 41.240 42.059 -0.681 0.000 0.919 403 L HN 0.192 nan 8.230 nan 0.000 0.443 404 Y N -0.534 119.713 120.300 -0.088 0.000 2.313 404 Y HA 0.199 4.749 4.550 -0.000 0.000 0.332 404 Y C -1.338 174.559 175.900 -0.005 0.000 1.071 404 Y CA -2.459 55.624 58.100 -0.028 0.000 1.169 404 Y CB 0.306 38.751 38.460 -0.024 0.000 1.192 404 Y HN -0.177 nan 8.280 nan 0.000 0.487 405 P HA -0.145 nan 4.420 nan 0.000 0.216 405 P C -0.542 176.807 177.300 0.082 0.000 1.150 405 P CA 1.578 64.736 63.100 0.096 0.000 0.837 405 P CB 0.383 32.122 31.700 0.064 0.000 0.786 406 E N -1.760 118.492 120.200 0.086 0.000 3.352 406 E HA 0.111 4.461 4.350 -0.000 0.000 0.254 406 E C -1.976 174.604 176.600 -0.033 0.000 1.229 406 E CA -1.382 55.029 56.400 0.020 0.000 0.949 406 E CB 0.991 30.686 29.700 -0.007 0.000 1.373 406 E HN 0.212 nan 8.360 nan 0.000 0.392 407 P HA -0.264 nan 4.420 nan 0.000 0.218 407 P C 1.461 178.659 177.300 -0.170 0.000 1.149 407 P CA 1.187 64.177 63.100 -0.182 0.000 0.817 407 P CB 0.275 31.943 31.700 -0.053 0.000 0.785 408 Q N 0.062 119.804 119.800 -0.097 0.000 2.364 408 Q HA -0.158 4.182 4.340 -0.000 0.000 0.209 408 Q C 1.203 177.152 176.000 -0.086 0.000 0.977 408 Q CA 1.548 57.299 55.803 -0.087 0.000 0.885 408 Q CB -1.402 27.297 28.738 -0.064 0.000 0.941 408 Q HN 0.196 nan 8.270 nan 0.000 0.464 409 N N -0.063 118.581 118.700 -0.092 0.000 2.336 409 N HA 0.200 4.940 4.740 -0.000 0.000 0.189 409 N C -0.156 175.308 175.510 -0.076 0.000 1.113 409 N CA -0.062 52.941 53.050 -0.079 0.000 0.858 409 N CB 0.230 38.668 38.487 -0.081 0.000 0.970 409 N HN 0.169 nan 8.380 nan 0.000 0.471 410 L N 0.432 121.576 121.223 -0.133 0.000 2.436 410 L HA 0.249 4.589 4.340 -0.000 0.000 0.265 410 L C 0.007 176.836 176.870 -0.069 0.000 1.168 410 L CA -0.685 54.068 54.840 -0.146 0.000 0.815 410 L CB 1.157 43.028 42.059 -0.313 0.000 1.109 410 L HN -0.218 nan 8.230 nan 0.000 0.462 411 V N 3.836 123.736 119.914 -0.025 0.000 2.368 411 V HA 0.189 4.309 4.120 -0.000 0.000 0.266 411 V C 0.044 176.165 176.094 0.045 0.000 1.045 411 V CA -0.359 61.957 62.300 0.027 0.000 0.899 411 V CB 1.267 33.101 31.823 0.019 0.000 1.006 411 V HN 0.364 nan 8.190 nan 0.000 0.470 412 L N 7.650 128.876 121.223 0.004 0.000 2.325 412 L HA 0.754 5.094 4.340 -0.000 0.000 0.279 412 L C -0.590 176.298 176.870 0.030 0.000 1.054 412 L CA 0.043 54.832 54.840 -0.085 0.000 0.804 412 L CB 1.087 43.042 42.059 -0.172 0.000 1.200 412 L HN 0.570 nan 8.230 nan 0.000 0.436 413 F N 1.347 121.251 119.950 -0.076 0.000 2.576 413 F HA 0.721 5.248 4.527 -0.000 0.000 0.313 413 F C 0.866 176.659 175.800 -0.011 0.000 1.078 413 F CA -0.585 57.391 58.000 -0.040 0.000 0.921 413 F CB 1.174 40.108 39.000 -0.110 0.000 1.232 413 F HN 0.454 nan 8.300 nan 0.000 0.459 414 G N 0.162 109.060 108.800 0.162 0.000 2.421 414 G HA2 0.404 4.364 3.960 -0.000 0.000 0.217 414 G HA3 0.404 4.364 3.960 -0.000 0.000 0.217 414 G C 0.382 175.339 174.900 0.096 0.000 1.143 414 G CA 0.507 45.647 45.100 0.067 0.000 0.784 414 G HN 1.322 nan 8.290 nan 0.000 0.541 415 G N -0.808 108.117 108.800 0.207 0.000 2.341 415 G HA2 0.476 4.436 3.960 -0.000 0.000 0.299 415 G HA3 0.476 4.436 3.960 -0.000 0.000 0.299 415 G C -1.670 173.189 174.900 -0.068 0.000 1.274 415 G CA -0.047 45.155 45.100 0.169 0.000 0.853 415 G HN 0.889 nan 8.290 nan 0.000 0.493 416 N N -3.218 115.216 118.700 -0.444 0.000 3.339 416 N HA 0.246 4.986 4.740 -0.000 0.000 0.275 416 N C 0.518 175.316 175.510 -1.186 0.000 1.514 416 N CA -0.030 52.489 53.050 -0.886 0.000 0.879 416 N CB 0.169 38.320 38.487 -0.561 0.000 1.557 416 N HN 0.730 nan 8.380 nan 0.000 0.524 417 H N -1.767 116.633 119.070 -1.116 0.000 2.563 417 H HA 0.198 4.754 4.556 -0.000 0.000 0.272 417 H C -0.738 174.554 175.328 -0.060 0.000 1.005 417 H CA 0.719 56.463 56.048 -0.506 0.000 1.171 417 H CB -0.234 29.426 29.762 -0.171 0.000 1.351 417 H HN 0.539 nan 8.280 nan 0.000 0.602 418 D N 0.585 120.664 120.400 -0.534 0.000 2.398 418 D HA 0.135 4.775 4.640 -0.000 0.000 0.210 418 D C 1.066 177.299 176.300 -0.112 0.000 1.094 418 D CA 0.144 54.038 54.000 -0.176 0.000 0.839 418 D CB 0.851 41.593 40.800 -0.097 0.000 0.963 418 D HN 0.562 nan 8.370 nan 0.000 0.506 419 M N -1.544 117.704 119.600 -0.587 0.000 2.667 419 M HA 0.721 5.201 4.480 -0.000 0.000 0.286 419 M C -0.900 174.722 176.300 -1.129 0.000 1.270 419 M CA -1.175 53.742 55.300 -0.639 0.000 0.826 419 M CB 2.130 34.653 32.600 -0.127 0.000 1.743 419 M HN -0.256 nan 8.290 nan 0.000 0.460 420 A N 1.739 124.187 122.820 -0.621 0.000 2.561 420 A HA 0.256 4.576 4.320 -0.000 0.000 0.234 420 A C 0.181 177.718 177.584 -0.078 0.000 1.055 420 A CA -0.100 51.797 52.037 -0.233 0.000 0.756 420 A CB 0.058 19.073 19.000 0.024 0.000 0.986 420 A HN 0.760 nan 8.150 nan 0.000 0.505 421 R N 2.111 122.680 120.500 0.114 0.000 2.583 421 R HA -0.053 4.287 4.340 -0.000 0.000 0.274 421 R C 1.467 177.894 176.300 0.212 0.000 0.998 421 R CA 0.341 56.563 56.100 0.204 0.000 1.081 421 R CB -0.076 30.383 30.300 0.265 0.000 0.940 421 R HN 1.002 nan 8.270 nan 0.000 0.413 422 M N 2.864 122.615 119.600 0.252 0.000 2.089 422 M HA -0.273 4.207 4.480 -0.000 0.000 0.257 422 M C 1.508 178.086 176.300 0.464 0.000 1.071 422 M CA 2.031 57.523 55.300 0.319 0.000 1.096 422 M CB -0.170 32.641 32.600 0.352 0.000 1.330 422 M HN 0.572 nan 8.290 nan 0.000 0.403 423 F N 0.444 120.570 119.950 0.294 0.000 2.146 423 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 423 F C 2.342 178.236 175.800 0.157 0.000 1.096 423 F CA 1.802 59.920 58.000 0.198 0.000 1.275 423 F CB -0.708 38.273 39.000 -0.031 0.000 1.008 423 F HN 0.147 nan 8.300 nan 0.000 0.480 424 S N 0.365 116.124 115.700 0.098 0.000 2.368 424 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 424 S C 2.314 176.915 174.600 0.002 0.000 1.030 424 S CA 1.058 59.251 58.200 -0.011 0.000 0.999 424 S CB -0.852 62.404 63.200 0.093 0.000 0.844 424 S HN 0.485 nan 8.310 nan 0.000 0.459 425 A N 1.007 123.871 122.820 0.074 0.000 2.019 425 A HA 0.225 4.545 4.320 -0.000 0.000 0.219 425 A C 1.972 179.585 177.584 0.049 0.000 1.164 425 A CA 1.398 53.475 52.037 0.066 0.000 0.644 425 A CB -0.562 18.490 19.000 0.086 0.000 0.805 425 A HN 0.495 nan 8.150 nan 0.000 0.449 426 A N -1.476 121.381 122.820 0.062 0.000 2.337 426 A HA 0.445 4.765 4.320 -0.000 0.000 0.227 426 A C 1.570 179.123 177.584 -0.052 0.000 1.259 426 A CA 0.907 52.978 52.037 0.057 0.000 0.870 426 A CB -1.081 18.044 19.000 0.209 0.000 0.927 426 A HN 1.807 nan 8.150 nan 0.000 0.497 427 G N -0.201 108.531 108.800 -0.114 0.000 2.198 427 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 427 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 427 G C 0.089 174.819 174.900 -0.283 0.000 1.025 427 G CA 0.429 45.444 45.100 -0.141 0.000 0.769 427 G HN 0.831 nan 8.290 nan 0.000 0.507 428 E N -1.085 118.718 120.200 -0.663 0.000 2.722 428 E HA -0.229 4.121 4.350 -0.000 0.000 0.265 428 E C 0.008 176.289 176.600 -0.532 0.000 1.081 428 E CA 1.062 56.703 56.400 -1.266 0.000 0.781 428 E CB -0.649 28.689 29.700 -0.604 0.000 1.372 428 E HN 0.620 nan 8.360 nan 0.000 0.423 429 D N -0.335 119.934 120.400 -0.218 0.000 2.412 429 D HA 0.103 4.743 4.640 -0.000 0.000 0.224 429 D C 0.318 176.847 176.300 0.382 0.000 1.093 429 D CA -0.382 53.686 54.000 0.115 0.000 0.850 429 D CB 0.319 41.164 40.800 0.075 0.000 1.046 429 D HN 0.003 nan 8.370 nan 0.000 0.507 430 F N 3.701 123.880 119.950 0.381 0.000 2.134 430 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 430 F C 1.615 177.658 175.800 0.404 0.000 1.097 430 F CA 1.397 59.667 58.000 0.451 0.000 1.264 430 F CB 0.346 39.495 39.000 0.248 0.000 1.001 430 F HN 0.347 nan 8.300 nan 0.000 0.479 431 D N -0.021 120.569 120.400 0.317 0.000 2.117 431 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 431 D C 2.383 178.751 176.300 0.114 0.000 0.982 431 D CA 1.184 55.287 54.000 0.171 0.000 0.828 431 D CB -0.316 40.589 40.800 0.175 0.000 0.967 431 D HN 0.355 nan 8.370 nan 0.000 0.464 432 R N -0.338 120.252 120.500 0.150 0.000 2.092 432 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 432 R C 2.176 178.564 176.300 0.146 0.000 1.119 432 R CA 0.832 57.004 56.100 0.119 0.000 0.970 432 R CB -0.343 30.016 30.300 0.100 0.000 0.864 432 R HN 0.272 nan 8.270 nan 0.000 0.440 433 W N 2.071 123.389 121.300 0.030 0.000 2.338 433 W HA -0.179 4.481 4.660 -0.000 0.000 0.304 433 W C 1.867 178.363 176.519 -0.039 0.000 1.212 433 W CA 1.356 58.733 57.345 0.054 0.000 1.264 433 W CB -0.018 29.557 29.460 0.191 0.000 1.142 433 W HN -0.108 nan 8.180 nan 0.000 0.512 434 R N -0.421 120.048 120.500 -0.052 0.000 2.091 434 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 434 R C 2.289 178.482 176.300 -0.178 0.000 1.136 434 R CA 2.227 58.188 56.100 -0.232 0.000 0.959 434 R CB -0.713 29.496 30.300 -0.152 0.000 0.856 434 R HN 0.317 nan 8.270 nan 0.000 0.437 435 M N -0.105 119.453 119.600 -0.070 0.000 2.117 435 M HA -0.183 4.297 4.480 -0.000 0.000 0.262 435 M C 2.073 178.387 176.300 0.022 0.000 1.065 435 M CA 1.594 56.894 55.300 0.000 0.000 1.114 435 M CB -0.475 32.145 32.600 0.034 0.000 1.361 435 M HN 0.271 nan 8.290 nan 0.000 0.408 436 N N 0.524 119.189 118.700 -0.058 0.000 2.120 436 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 436 N C 1.720 177.219 175.510 -0.019 0.000 1.024 436 N CA 0.825 53.861 53.050 -0.022 0.000 0.852 436 N CB 0.106 38.535 38.487 -0.096 0.000 1.003 436 N HN 0.119 nan 8.380 nan 0.000 0.424 437 L N 0.831 121.879 121.223 -0.292 0.000 2.017 437 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 437 L C 2.112 178.968 176.870 -0.023 0.000 1.073 437 L CA 1.270 55.961 54.840 -0.247 0.000 0.745 437 L CB -0.633 41.069 42.059 -0.594 0.000 0.894 437 L HN 0.017 nan 8.230 nan 0.000 0.432 438 V N -0.439 119.471 119.914 -0.006 0.000 2.287 438 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 438 V C 2.344 178.568 176.094 0.216 0.000 1.053 438 V CA 2.225 64.576 62.300 0.085 0.000 1.027 438 V CB -0.928 30.919 31.823 0.041 0.000 0.646 438 V HN 0.548 nan 8.190 nan 0.000 0.447 439 F N 0.572 120.588 119.950 0.110 0.000 2.065 439 F HA -0.248 4.279 4.527 0.000 0.000 0.298 439 F C 2.109 177.984 175.800 0.124 0.000 1.112 439 F CA 2.149 60.261 58.000 0.186 0.000 1.212 439 F CB -0.507 38.605 39.000 0.185 0.000 0.975 439 F HN 0.143 nan 8.300 nan 0.000 0.476 440 L N 0.257 121.526 121.223 0.078 0.000 2.042 440 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 440 L C 1.969 178.829 176.870 -0.016 0.000 1.076 440 L CA 1.887 56.708 54.840 -0.031 0.000 0.749 440 L CB -0.742 41.389 42.059 0.121 0.000 0.893 440 L HN 0.194 nan 8.230 nan 0.000 0.432 441 M N -1.114 118.529 119.600 0.071 0.000 2.595 441 M HA 0.074 4.554 4.480 -0.000 0.000 0.248 441 M C 1.506 177.877 176.300 0.118 0.000 1.119 441 M CA 1.196 56.564 55.300 0.112 0.000 1.079 441 M CB -1.196 31.512 32.600 0.179 0.000 1.472 441 M HN 0.597 nan 8.290 nan 0.000 0.501 442 T N -4.486 110.120 114.554 0.086 0.000 2.986 442 T HA 0.266 4.616 4.350 -0.000 0.000 0.264 442 T C 0.862 175.570 174.700 0.013 0.000 0.964 442 T CA -0.282 61.890 62.100 0.119 0.000 0.895 442 T CB 0.600 69.632 68.868 0.274 0.000 1.163 442 T HN -0.056 nan 8.240 nan 0.000 0.517 443 M N 3.323 122.823 119.600 -0.167 0.000 2.240 443 M HA 0.256 4.736 4.480 -0.000 0.000 0.317 443 M C -2.267 173.932 176.300 -0.168 0.000 1.087 443 M CA -2.279 52.849 55.300 -0.287 0.000 1.176 443 M CB -0.032 32.244 32.600 -0.540 0.000 1.439 443 M HN -0.019 nan 8.290 nan 0.000 0.452 444 P HA 0.207 nan 4.420 nan 0.000 0.244 444 P C -0.669 176.561 177.300 -0.116 0.000 1.769 444 P CA 0.198 63.232 63.100 -0.111 0.000 1.102 444 P CB 0.143 31.780 31.700 -0.104 0.000 1.937 445 R N 1.422 121.858 120.500 -0.105 0.000 2.752 445 R HA 0.508 4.848 4.340 -0.000 0.000 0.271 445 R C -0.175 176.096 176.300 -0.049 0.000 1.026 445 R CA -1.130 54.910 56.100 -0.100 0.000 0.901 445 R CB 1.191 31.407 30.300 -0.141 0.000 1.243 445 R HN 0.209 nan 8.270 nan 0.000 0.463 446 I N 4.153 124.713 120.570 -0.018 0.000 2.301 446 I HA 0.210 4.380 4.170 -0.000 0.000 0.292 446 I C -1.865 174.283 176.117 0.053 0.000 1.046 446 I CA -1.758 59.565 61.300 0.037 0.000 1.282 446 I CB 1.247 39.313 38.000 0.111 0.000 1.409 446 I HN 0.053 nan 8.210 nan 0.000 0.484 447 P HA 0.088 nan 4.420 nan 0.000 0.279 447 P C -1.190 176.242 177.300 0.220 0.000 1.239 447 P CA -0.343 62.836 63.100 0.132 0.000 0.789 447 P CB 1.469 33.254 31.700 0.142 0.000 0.933 448 Q N 3.113 123.071 119.800 0.265 0.000 2.375 448 Q HA 0.477 4.817 4.340 -0.000 0.000 0.271 448 Q C -2.226 174.005 176.000 0.386 0.000 1.074 448 Q CA -0.749 55.237 55.803 0.305 0.000 0.808 448 Q CB 1.950 30.831 28.738 0.238 0.000 1.327 448 Q HN 0.428 nan 8.270 nan 0.000 0.441 449 F N 3.025 123.068 119.950 0.156 0.000 2.551 449 F HA 0.445 4.972 4.527 -0.000 0.000 0.316 449 F C -1.745 174.011 175.800 -0.073 0.000 1.089 449 F CA -0.789 57.283 58.000 0.119 0.000 0.915 449 F CB 1.488 40.603 39.000 0.192 0.000 1.186 449 F HN 0.572 nan 8.300 nan 0.000 0.456 450 Y N 4.408 124.339 120.300 -0.614 0.000 2.335 450 Y HA 0.375 4.925 4.550 -0.000 0.000 0.339 450 Y C 0.127 175.765 175.900 -0.438 0.000 0.987 450 Y CA -1.009 56.795 58.100 -0.493 0.000 1.140 450 Y CB 1.083 39.348 38.460 -0.326 0.000 1.173 450 Y HN 0.570 nan 8.280 nan 0.000 0.486 451 S N 4.356 119.507 115.700 -0.915 0.000 2.626 451 S HA 0.329 4.799 4.470 -0.000 0.000 0.303 451 S C 1.171 175.615 174.600 -0.260 0.000 1.256 451 S CA 1.497 59.313 58.200 -0.639 0.000 1.069 451 S CB -0.623 62.166 63.200 -0.686 0.000 0.807 451 S HN 1.573 nan 8.310 nan 0.000 0.500 452 G N 4.832 113.823 108.800 0.318 0.000 2.279 452 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.223 452 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.223 452 G C 0.558 175.568 174.900 0.183 0.000 1.015 452 G CA 0.413 45.656 45.100 0.239 0.000 0.621 452 G HN 0.664 nan 8.290 nan 0.000 0.506 453 D N 1.469 121.965 120.400 0.160 0.000 2.263 453 D HA -0.027 4.613 4.640 -0.000 0.000 0.208 453 D C 2.422 179.088 176.300 0.609 0.000 0.971 453 D CA 1.340 55.484 54.000 0.239 0.000 0.867 453 D CB -0.101 40.599 40.800 -0.167 0.000 0.929 453 D HN 0.768 nan 8.370 nan 0.000 0.492 454 E N 1.097 121.788 120.200 0.818 0.000 2.427 454 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 454 E C 1.503 178.299 176.600 0.327 0.000 1.028 454 E CA 0.497 57.318 56.400 0.702 0.000 0.864 454 E CB -0.149 29.920 29.700 0.615 0.000 0.813 454 E HN 0.378 nan 8.360 nan 0.000 0.514 455 I N -1.389 119.286 120.570 0.174 0.000 3.833 455 I HA 0.264 4.434 4.170 -0.000 0.000 0.328 455 I C 0.308 176.312 176.117 -0.188 0.000 1.554 455 I CA -0.722 60.549 61.300 -0.047 0.000 1.116 455 I CB -0.456 37.484 38.000 -0.100 0.000 1.182 455 I HN -0.074 nan 8.210 nan 0.000 0.459 456 L N -0.040 121.046 121.223 -0.228 0.000 3.717 456 L HA -0.211 4.129 4.340 -0.000 0.000 0.411 456 L C 0.452 177.252 176.870 -0.116 0.000 1.233 456 L CA 0.484 55.058 54.840 -0.444 0.000 0.917 456 L CB -1.840 39.523 42.059 -1.161 0.000 1.902 456 L HN 0.462 nan 8.230 nan 0.000 0.894 457 M N 0.409 120.006 119.600 -0.005 0.000 2.245 457 M HA 0.118 4.598 4.480 -0.000 0.000 0.335 457 M C 1.144 177.547 176.300 0.171 0.000 1.155 457 M CA 1.422 56.756 55.300 0.057 0.000 1.055 457 M CB 0.424 33.048 32.600 0.041 0.000 1.670 457 M HN 0.381 nan 8.290 nan 0.000 0.447 458 T N -0.417 114.238 114.554 0.169 0.000 2.949 458 T HA 0.833 5.183 4.350 -0.000 0.000 0.287 458 T C -0.256 174.556 174.700 0.188 0.000 1.034 458 T CA -0.726 61.497 62.100 0.204 0.000 1.018 458 T CB 1.846 70.824 68.868 0.182 0.000 1.135 458 T HN 0.807 nan 8.240 nan 0.000 0.532 459 S N -0.334 115.485 115.700 0.199 0.000 2.688 459 S HA 0.671 5.141 4.470 -0.000 0.000 0.275 459 S C -0.129 174.581 174.600 0.182 0.000 1.175 459 S CA -0.588 57.745 58.200 0.223 0.000 0.818 459 S CB 0.720 64.166 63.200 0.409 0.000 1.157 459 S HN 1.329 nan 8.310 nan 0.000 0.482 460 T N -0.606 114.050 114.554 0.170 0.000 2.900 460 T HA 0.402 4.752 4.350 -0.000 0.000 0.307 460 T C 1.404 176.228 174.700 0.207 0.000 1.065 460 T CA 0.041 62.228 62.100 0.144 0.000 1.105 460 T CB 0.526 69.451 68.868 0.095 0.000 0.979 460 T HN 1.623 nan 8.240 nan 0.000 0.544 461 V N -1.545 118.455 119.914 0.142 0.000 3.379 461 V HA 0.368 4.488 4.120 -0.000 0.000 0.249 461 V C 0.886 177.055 176.094 0.125 0.000 1.184 461 V CA 0.016 62.397 62.300 0.135 0.000 1.106 461 V CB -0.622 31.252 31.823 0.085 0.000 0.826 461 V HN 0.742 nan 8.190 nan 0.000 0.465 462 K N 1.506 121.967 120.400 0.101 0.000 2.237 462 K HA 0.490 4.810 4.320 -0.000 0.000 0.270 462 K C 1.044 177.703 176.600 0.098 0.000 1.015 462 K CA 0.754 57.091 56.287 0.082 0.000 0.949 462 K CB 0.971 33.504 32.500 0.055 0.000 0.976 462 K HN 0.581 nan 8.250 nan 0.000 0.472 463 G N 2.194 111.042 108.800 0.080 0.000 2.574 463 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.286 463 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.286 463 G C -0.468 174.502 174.900 0.117 0.000 1.212 463 G CA 0.138 45.279 45.100 0.068 0.000 0.979 463 G HN 0.663 nan 8.290 nan 0.000 0.557 464 R N 0.418 120.973 120.500 0.092 0.000 2.575 464 R HA 0.550 4.890 4.340 -0.000 0.000 0.293 464 R C -1.905 174.415 176.300 0.033 0.000 0.983 464 R CA -0.281 55.901 56.100 0.138 0.000 0.887 464 R CB 1.648 31.992 30.300 0.073 0.000 1.184 464 R HN 0.568 nan 8.270 nan 0.000 0.445 465 D N 3.328 123.668 120.400 -0.100 0.000 2.668 465 D HA 0.114 4.754 4.640 -0.000 0.000 0.247 465 D C -0.313 175.508 176.300 -0.798 0.000 1.268 465 D CA -0.306 53.497 54.000 -0.328 0.000 0.842 465 D CB 0.901 41.565 40.800 -0.227 0.000 1.399 465 D HN 0.525 nan 8.370 nan 0.000 0.530 466 D N 1.136 121.288 120.400 -0.414 0.000 2.116 466 D HA -0.175 4.465 4.640 -0.000 0.000 0.193 466 D C 1.973 178.159 176.300 -0.191 0.000 0.998 466 D CA 1.542 55.385 54.000 -0.261 0.000 0.836 466 D CB 0.008 40.824 40.800 0.026 0.000 0.951 466 D HN 0.514 nan 8.370 nan 0.000 0.449 467 A N 0.816 123.573 122.820 -0.106 0.000 1.940 467 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 467 A C 2.288 179.834 177.584 -0.062 0.000 1.176 467 A CA 2.415 54.437 52.037 -0.026 0.000 0.631 467 A CB -0.701 18.296 19.000 -0.004 0.000 0.814 467 A HN 0.340 nan 8.150 nan 0.000 0.446 468 S N -1.264 114.313 115.700 -0.205 0.000 2.447 468 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 468 S C 1.497 176.150 174.600 0.088 0.000 1.006 468 S CA 1.192 59.335 58.200 -0.094 0.000 0.957 468 S CB -0.675 62.459 63.200 -0.108 0.000 0.773 468 S HN 0.576 nan 8.310 nan 0.000 0.507 469 Y N 1.393 121.792 120.300 0.166 0.000 2.490 469 Y HA 0.433 4.983 4.550 -0.000 0.000 0.281 469 Y C 1.626 177.718 175.900 0.320 0.000 1.174 469 Y CA -0.586 57.652 58.100 0.230 0.000 1.295 469 Y CB -0.321 38.251 38.460 0.187 0.000 1.062 469 Y HN 0.292 nan 8.280 nan 0.000 0.522 470 R N -0.024 120.683 120.500 0.344 0.000 2.642 470 R HA 0.208 4.548 4.340 -0.000 0.000 0.435 470 R C -0.122 176.289 176.300 0.185 0.000 1.046 470 R CA -0.471 55.825 56.100 0.326 0.000 1.103 470 R CB 0.672 31.187 30.300 0.358 0.000 1.425 470 R HN -0.117 nan 8.270 nan 0.000 0.586 471 R N 1.406 121.998 120.500 0.153 0.000 2.734 471 R HA 0.032 4.372 4.340 -0.000 0.000 0.266 471 R C -0.120 176.239 176.300 0.097 0.000 1.044 471 R CA 0.055 56.210 56.100 0.091 0.000 1.128 471 R CB 0.219 30.551 30.300 0.053 0.000 1.010 471 R HN 0.056 nan 8.270 nan 0.000 0.461 472 D N 1.316 121.734 120.400 0.030 0.000 2.443 472 D HA -0.055 4.585 4.640 -0.000 0.000 0.239 472 D C -0.034 176.349 176.300 0.137 0.000 1.136 472 D CA 0.136 54.153 54.000 0.028 0.000 0.879 472 D CB 0.195 40.715 40.800 -0.467 0.000 1.195 472 D HN 0.245 nan 8.370 nan 0.000 0.443 473 F N 3.182 123.248 119.950 0.193 0.000 2.543 473 F HA 0.190 4.717 4.527 0.000 0.000 0.375 473 F C -1.886 173.896 175.800 -0.030 0.000 1.075 473 F CA -1.872 56.168 58.000 0.067 0.000 1.225 473 F CB 0.599 39.660 39.000 0.102 0.000 1.099 473 F HN 0.109 nan 8.300 nan 0.000 0.561 474 P HA 0.234 nan 4.420 nan 0.000 0.271 474 P C 0.345 177.424 177.300 -0.368 0.000 1.233 474 P CA 0.767 63.641 63.100 -0.377 0.000 0.764 474 P CB 0.714 32.161 31.700 -0.423 0.000 0.825 475 G N 2.872 111.636 108.800 -0.060 0.000 2.201 475 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.212 475 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.212 475 G C 1.121 176.176 174.900 0.259 0.000 0.994 475 G CA 0.005 45.133 45.100 0.047 0.000 0.644 475 G HN 0.683 nan 8.290 nan 0.000 0.508 476 G N -1.054 107.957 108.800 0.353 0.000 2.650 476 G HA2 0.250 4.210 3.960 -0.000 0.000 0.214 476 G HA3 0.250 4.210 3.960 -0.000 0.000 0.214 476 G C 0.533 175.441 174.900 0.013 0.000 1.136 476 G CA 0.470 45.726 45.100 0.259 0.000 0.789 476 G HN 0.398 nan 8.290 nan 0.000 0.536 477 W N -0.055 121.288 121.300 0.072 0.000 2.785 477 W HA 0.630 5.290 4.660 -0.000 0.000 0.333 477 W C -0.046 176.498 176.519 0.041 0.000 1.062 477 W CA -1.840 55.537 57.345 0.053 0.000 1.233 477 W CB 1.669 31.149 29.460 0.032 0.000 1.413 477 W HN 0.085 nan 8.180 nan 0.000 0.489 478 A N 1.410 124.336 122.820 0.175 0.000 2.587 478 A HA 0.373 4.693 4.320 -0.000 0.000 0.235 478 A C 1.196 178.862 177.584 0.136 0.000 1.044 478 A CA 1.803 53.913 52.037 0.122 0.000 0.754 478 A CB -0.348 18.699 19.000 0.078 0.000 0.968 478 A HN 1.561 nan 8.150 nan 0.000 0.509 479 G N 1.909 110.765 108.800 0.092 0.000 2.199 479 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.254 479 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.254 479 G C -0.015 174.919 174.900 0.057 0.000 0.982 479 G CA 0.306 45.446 45.100 0.066 0.000 0.632 479 G HN 0.894 nan 8.290 nan 0.000 0.529 480 D N 0.827 121.276 120.400 0.082 0.000 2.493 480 D HA 0.259 4.899 4.640 -0.000 0.000 0.240 480 D C 1.629 177.937 176.300 0.014 0.000 1.142 480 D CA -0.012 54.017 54.000 0.048 0.000 0.872 480 D CB 0.793 41.636 40.800 0.071 0.000 1.173 480 D HN 0.137 nan 8.370 nan 0.000 0.467 481 K N 0.999 121.392 120.400 -0.013 0.000 2.155 481 K HA 0.041 4.361 4.320 -0.000 0.000 0.203 481 K C 0.561 177.142 176.600 -0.032 0.000 1.052 481 K CA 0.479 56.753 56.287 -0.020 0.000 0.948 481 K CB 0.169 32.651 32.500 -0.030 0.000 0.728 481 K HN 0.403 nan 8.250 nan 0.000 0.448 482 A N 1.708 124.495 122.820 -0.053 0.000 2.350 482 A HA 0.489 4.809 4.320 -0.000 0.000 0.324 482 A C -0.827 176.698 177.584 -0.099 0.000 1.118 482 A CA -0.661 51.328 52.037 -0.080 0.000 0.783 482 A CB 0.946 19.879 19.000 -0.113 0.000 1.236 482 A HN 0.104 nan 8.150 nan 0.000 0.457 483 N N 1.472 120.113 118.700 -0.098 0.000 2.617 483 N HA 0.405 5.145 4.740 -0.000 0.000 0.263 483 N C 0.489 175.901 175.510 -0.163 0.000 1.074 483 N CA 0.198 53.185 53.050 -0.105 0.000 0.841 483 N CB 1.660 40.154 38.487 0.011 0.000 1.221 483 N HN 0.614 nan 8.380 nan 0.000 0.529 484 A N 3.095 125.692 122.820 -0.372 0.000 2.067 484 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 484 A C 1.383 178.826 177.584 -0.235 0.000 1.158 484 A CA 0.875 52.707 52.037 -0.342 0.000 0.661 484 A CB -0.629 17.993 19.000 -0.630 0.000 0.801 484 A HN 0.659 nan 8.150 nan 0.000 0.452 485 F N 0.854 120.697 119.950 -0.179 0.000 2.134 485 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 485 F C 2.860 178.648 175.800 -0.020 0.000 1.097 485 F CA 1.408 59.214 58.000 -0.323 0.000 1.264 485 F CB -0.106 38.693 39.000 -0.336 0.000 1.001 485 F HN 0.364 nan 8.300 nan 0.000 0.479 486 S N -1.018 114.788 115.700 0.178 0.000 2.503 486 S HA 0.364 4.834 4.470 -0.000 0.000 0.217 486 S C 1.783 176.444 174.600 0.101 0.000 0.999 486 S CA 0.459 58.744 58.200 0.142 0.000 0.914 486 S CB 0.462 63.727 63.200 0.109 0.000 0.782 486 S HN 0.564 nan 8.310 nan 0.000 0.520 487 G N 1.131 109.971 108.800 0.067 0.000 2.195 487 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.246 487 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.246 487 G C 0.308 175.211 174.900 0.005 0.000 0.984 487 G CA -0.078 45.046 45.100 0.040 0.000 0.633 487 G HN 1.364 nan 8.290 nan 0.000 0.525 488 A N 0.237 123.061 122.820 0.006 0.000 2.520 488 A HA 0.618 4.938 4.320 -0.000 0.000 0.245 488 A C 2.080 179.645 177.584 -0.032 0.000 1.072 488 A CA 1.901 53.935 52.037 -0.006 0.000 0.761 488 A CB -0.190 18.814 19.000 0.007 0.000 1.004 488 A HN 2.393 nan 8.150 nan 0.000 0.499 489 G N 1.365 110.146 108.800 -0.033 0.000 2.162 489 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 489 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 489 G C 0.162 175.023 174.900 -0.065 0.000 0.976 489 G CA 0.426 45.498 45.100 -0.046 0.000 0.655 489 G HN 0.806 nan 8.290 nan 0.000 0.533 490 L N 1.836 123.019 121.223 -0.067 0.000 2.426 490 L HA 0.417 4.757 4.340 -0.000 0.000 0.271 490 L C 1.716 178.539 176.870 -0.079 0.000 1.169 490 L CA 0.090 54.880 54.840 -0.083 0.000 0.836 490 L CB 0.582 42.597 42.059 -0.074 0.000 1.112 490 L HN 0.423 nan 8.230 nan 0.000 0.465 491 T N -1.537 112.960 114.554 -0.096 0.000 2.766 491 T HA 0.034 4.384 4.350 -0.000 0.000 0.295 491 T C 1.333 175.966 174.700 -0.111 0.000 1.024 491 T CA -0.208 61.834 62.100 -0.098 0.000 1.018 491 T CB 1.144 69.948 68.868 -0.108 0.000 1.002 491 T HN 0.757 nan 8.240 nan 0.000 0.532 492 S N 0.095 115.728 115.700 -0.112 0.000 2.382 492 S HA -0.256 4.214 4.470 -0.000 0.000 0.228 492 S C 2.057 176.538 174.600 -0.198 0.000 1.027 492 S CA 1.322 59.447 58.200 -0.126 0.000 0.991 492 S CB -0.863 62.269 63.200 -0.112 0.000 0.823 492 S HN 0.839 nan 8.310 nan 0.000 0.469 493 Q N 0.813 120.458 119.800 -0.258 0.000 2.079 493 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 493 Q C 2.438 178.208 176.000 -0.382 0.000 0.974 493 Q CA 1.435 56.977 55.803 -0.433 0.000 0.840 493 Q CB -0.214 28.266 28.738 -0.430 0.000 0.898 493 Q HN 0.755 nan 8.270 nan 0.000 0.430 494 Q N -0.230 119.408 119.800 -0.270 0.000 2.084 494 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 494 Q C 2.131 178.058 176.000 -0.121 0.000 0.978 494 Q CA 1.521 57.193 55.803 -0.218 0.000 0.844 494 Q CB -0.124 28.507 28.738 -0.178 0.000 0.898 494 Q HN 0.113 nan 8.270 nan 0.000 0.426 495 R N 0.912 121.354 120.500 -0.097 0.000 2.092 495 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 495 R C 1.900 178.199 176.300 -0.001 0.000 1.119 495 R CA 1.552 57.634 56.100 -0.031 0.000 0.970 495 R CB -0.677 29.604 30.300 -0.032 0.000 0.864 495 R HN 0.235 nan 8.270 nan 0.000 0.440 496 A N 0.469 123.255 122.820 -0.057 0.000 1.877 496 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 496 A C 2.410 180.121 177.584 0.212 0.000 1.186 496 A CA 1.771 53.815 52.037 0.011 0.000 0.620 496 A CB -1.166 17.732 19.000 -0.171 0.000 0.822 496 A HN 0.483 nan 8.150 nan 0.000 0.443 497 A N -0.788 122.146 122.820 0.191 0.000 1.873 497 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 497 A C 2.237 180.017 177.584 0.327 0.000 1.193 497 A CA 2.043 54.252 52.037 0.286 0.000 0.629 497 A CB -0.718 18.183 19.000 -0.166 0.000 0.826 497 A HN 0.664 nan 8.150 nan 0.000 0.447 498 Q N -0.819 119.101 119.800 0.201 0.000 2.084 498 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 498 Q C 1.438 177.547 176.000 0.182 0.000 0.978 498 Q CA 1.736 57.671 55.803 0.219 0.000 0.844 498 Q CB -0.183 28.671 28.738 0.194 0.000 0.898 498 Q HN 0.614 nan 8.270 nan 0.000 0.426 499 D N 0.419 120.907 120.400 0.146 0.000 2.133 499 D HA -0.184 4.456 4.640 -0.000 0.000 0.195 499 D C 1.792 178.159 176.300 0.113 0.000 0.997 499 D CA 0.826 54.891 54.000 0.108 0.000 0.840 499 D CB -0.178 40.670 40.800 0.080 0.000 0.947 499 D HN 0.216 nan 8.370 nan 0.000 0.452 500 L N 0.325 121.657 121.223 0.182 0.000 2.056 500 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 500 L C 2.216 179.164 176.870 0.131 0.000 1.078 500 L CA 1.110 56.049 54.840 0.165 0.000 0.749 500 L CB -0.387 41.838 42.059 0.277 0.000 0.901 500 L HN -0.120 nan 8.230 nan 0.000 0.433 501 V N -0.001 120.021 119.914 0.181 0.000 2.295 501 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 501 V C 2.768 178.847 176.094 -0.025 0.000 1.049 501 V CA 2.194 64.530 62.300 0.059 0.000 1.024 501 V CB -0.734 31.119 31.823 0.049 0.000 0.648 501 V HN 0.517 nan 8.190 nan 0.000 0.447 502 R N 0.256 120.764 120.500 0.013 0.000 2.081 502 R HA -0.227 4.113 4.340 -0.000 0.000 0.235 502 R C 2.415 178.721 176.300 0.011 0.000 1.131 502 R CA 2.144 58.230 56.100 -0.024 0.000 0.960 502 R CB -0.268 30.038 30.300 0.010 0.000 0.856 502 R HN 0.523 nan 8.270 nan 0.000 0.436 503 K N 0.418 120.847 120.400 0.048 0.000 2.002 503 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 503 K C 2.131 178.858 176.600 0.212 0.000 1.048 503 K CA 1.626 57.970 56.287 0.096 0.000 0.930 503 K CB -0.148 32.349 32.500 -0.006 0.000 0.714 503 K HN 0.203 nan 8.250 nan 0.000 0.438 504 L N 0.356 121.674 121.223 0.158 0.000 2.056 504 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 504 L C 2.649 179.657 176.870 0.230 0.000 1.078 504 L CA 1.203 56.193 54.840 0.250 0.000 0.749 504 L CB -0.473 41.670 42.059 0.140 0.000 0.901 504 L HN 0.337 nan 8.230 nan 0.000 0.433 505 A N -0.082 122.732 122.820 -0.010 0.000 1.898 505 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 505 A C 2.073 179.589 177.584 -0.112 0.000 1.181 505 A CA 1.620 53.539 52.037 -0.196 0.000 0.620 505 A CB -0.533 18.074 19.000 -0.656 0.000 0.819 505 A HN 0.438 nan 8.150 nan 0.000 0.442 506 N N -1.411 117.268 118.700 -0.035 0.000 2.142 506 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 506 N C 1.598 177.164 175.510 0.093 0.000 1.023 506 N CA 1.602 54.658 53.050 0.010 0.000 0.852 506 N CB -0.413 38.093 38.487 0.030 0.000 0.998 506 N HN 0.798 nan 8.380 nan 0.000 0.424 507 W N 2.882 124.157 121.300 -0.043 0.000 2.335 507 W HA -0.110 4.550 4.660 0.000 0.000 0.311 507 W C 2.520 178.946 176.519 -0.155 0.000 1.213 507 W CA 1.395 58.659 57.345 -0.135 0.000 1.274 507 W CB -0.357 28.962 29.460 -0.236 0.000 1.148 507 W HN -0.070 nan 8.180 nan 0.000 0.498 508 R N 0.807 121.274 120.500 -0.055 0.000 2.105 508 R HA -0.202 4.138 4.340 -0.000 0.000 0.239 508 R C 2.202 178.416 176.300 -0.143 0.000 1.135 508 R CA 1.931 57.864 56.100 -0.278 0.000 0.967 508 R CB -0.386 29.890 30.300 -0.039 0.000 0.861 508 R HN 0.194 nan 8.270 nan 0.000 0.442 509 K N -0.140 120.216 120.400 -0.072 0.000 2.160 509 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 509 K C 0.904 177.508 176.600 0.005 0.000 1.047 509 K CA 1.784 58.065 56.287 -0.011 0.000 0.930 509 K CB -0.121 32.348 32.500 -0.052 0.000 0.720 509 K HN 0.357 nan 8.250 nan 0.000 0.450 510 N N 0.407 119.012 118.700 -0.159 0.000 2.279 510 N HA 0.007 4.747 4.740 -0.000 0.000 0.226 510 N C -0.765 174.503 175.510 -0.404 0.000 1.126 510 N CA -0.070 52.851 53.050 -0.214 0.000 0.846 510 N CB 0.640 39.021 38.487 -0.177 0.000 1.050 510 N HN -0.017 nan 8.380 nan 0.000 0.502 511 Q N 0.046 119.480 119.800 -0.609 0.000 2.700 511 Q HA 0.221 4.561 4.340 -0.000 0.000 0.249 511 Q C -2.056 173.319 176.000 -1.042 0.000 1.033 511 Q CA -1.767 53.560 55.803 -0.794 0.000 0.804 511 Q CB 1.457 29.587 28.738 -1.014 0.000 1.164 511 Q HN 0.126 nan 8.270 nan 0.000 0.500 512 P HA -0.185 nan 4.420 nan 0.000 0.217 512 P C 1.511 178.569 177.300 -0.404 0.000 1.148 512 P CA 0.762 63.546 63.100 -0.526 0.000 0.828 512 P CB 0.430 31.994 31.700 -0.227 0.000 0.783 513 V N -0.707 118.996 119.914 -0.351 0.000 2.594 513 V HA -0.207 3.913 4.120 -0.000 0.000 0.253 513 V C 1.930 177.886 176.094 -0.229 0.000 1.069 513 V CA 1.618 63.779 62.300 -0.232 0.000 1.082 513 V CB -0.815 30.914 31.823 -0.156 0.000 0.680 513 V HN 0.023 nan 8.190 nan 0.000 0.469 514 I N -0.798 119.568 120.570 -0.340 0.000 2.584 514 I HA -0.139 4.031 4.170 -0.000 0.000 0.255 514 I C 2.230 178.295 176.117 -0.086 0.000 1.145 514 I CA 1.362 62.534 61.300 -0.214 0.000 1.462 514 I CB -0.470 37.375 38.000 -0.259 0.000 1.102 514 I HN 0.432 nan 8.210 nan 0.000 0.433 515 H N 1.194 120.176 119.070 -0.146 0.000 2.395 515 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 515 H C 1.140 176.405 175.328 -0.105 0.000 1.070 515 H CA 1.434 57.412 56.048 -0.117 0.000 1.356 515 H CB 0.043 29.737 29.762 -0.113 0.000 1.401 515 H HN 0.473 nan 8.280 nan 0.000 0.524 516 N N -0.772 117.921 118.700 -0.012 0.000 1.986 516 N HA 0.081 4.821 4.740 -0.000 0.000 0.227 516 N C 0.482 175.931 175.510 -0.102 0.000 1.387 516 N CA 0.255 53.276 53.050 -0.048 0.000 0.810 516 N CB 0.052 38.521 38.487 -0.029 0.000 1.140 516 N HN 0.163 nan 8.380 nan 0.000 0.504 517 G N 0.526 109.245 108.800 -0.135 0.000 2.667 517 G HA2 0.294 4.254 3.960 -0.000 0.000 0.250 517 G HA3 0.294 4.254 3.960 -0.000 0.000 0.250 517 G C 0.172 174.917 174.900 -0.259 0.000 1.212 517 G CA -0.522 44.461 45.100 -0.195 0.000 0.874 517 G HN 0.072 nan 8.290 nan 0.000 0.561 518 R N -1.084 119.130 120.500 -0.476 0.000 2.707 518 R HA 0.276 4.616 4.340 -0.000 0.000 0.270 518 R C -0.525 175.540 176.300 -0.392 0.000 1.083 518 R CA -0.581 55.170 56.100 -0.582 0.000 1.182 518 R CB 0.754 30.369 30.300 -1.142 0.000 1.084 518 R HN 0.333 nan 8.270 nan 0.000 0.528 519 L N 1.430 122.558 121.223 -0.158 0.000 2.362 519 L HA 0.507 4.847 4.340 -0.000 0.000 0.275 519 L C -0.806 176.192 176.870 0.213 0.000 0.998 519 L CA -0.259 54.613 54.840 0.054 0.000 0.820 519 L CB 1.601 43.633 42.059 -0.044 0.000 1.270 519 L HN 0.626 nan 8.230 nan 0.000 0.415 520 M N 5.925 125.772 119.600 0.412 0.000 2.197 520 M HA 0.467 4.947 4.480 -0.000 0.000 0.301 520 M C -1.452 175.070 176.300 0.369 0.000 0.987 520 M CA -0.382 55.096 55.300 0.296 0.000 0.921 520 M CB 0.994 33.719 32.600 0.208 0.000 1.569 520 M HN 0.916 nan 8.290 nan 0.000 0.431 521 H N 2.025 121.236 119.070 0.234 0.000 2.616 521 H HA 0.670 5.226 4.556 0.000 0.000 0.353 521 H C -1.814 173.625 175.328 0.185 0.000 1.170 521 H CA -1.025 55.243 56.048 0.368 0.000 1.212 521 H CB 1.464 31.556 29.762 0.549 0.000 1.653 521 H HN 0.549 nan 8.280 nan 0.000 0.537 522 F N 0.218 120.489 119.950 0.534 0.000 2.492 522 F HA 0.355 4.882 4.527 0.000 0.000 0.327 522 F C 1.048 176.851 175.800 0.006 0.000 1.079 522 F CA -0.640 57.567 58.000 0.344 0.000 0.967 522 F CB 1.877 41.157 39.000 0.466 0.000 1.169 522 F HN 0.839 nan 8.300 nan 0.000 0.472 523 G N 2.897 111.524 108.800 -0.289 0.000 2.272 523 G HA2 0.302 4.262 3.960 -0.000 0.000 0.247 523 G HA3 0.302 4.262 3.960 -0.000 0.000 0.247 523 G C -2.741 171.979 174.900 -0.300 0.000 1.272 523 G CA -0.817 43.683 45.100 -1.000 0.000 0.921 523 G HN 0.254 nan 8.290 nan 0.000 0.495 524 P HA 0.175 nan 4.420 nan 0.000 0.271 524 P C -0.389 176.888 177.300 -0.038 0.000 1.218 524 P CA 0.148 63.209 63.100 -0.065 0.000 0.780 524 P CB 0.921 32.475 31.700 -0.244 0.000 0.901 525 E N 1.402 121.628 120.200 0.043 0.000 2.260 525 E HA 0.137 4.487 4.350 -0.000 0.000 0.266 525 E C -0.641 175.982 176.600 0.038 0.000 0.887 525 E CA -0.552 55.867 56.400 0.032 0.000 0.777 525 E CB 1.102 30.830 29.700 0.047 0.000 1.205 525 E HN 0.411 nan 8.360 nan 0.000 0.414 526 E N 2.461 122.673 120.200 0.020 0.000 2.360 526 E HA -0.296 4.054 4.350 -0.000 0.000 0.238 526 E C -0.346 176.270 176.600 0.026 0.000 1.186 526 E CA 0.114 56.526 56.400 0.020 0.000 0.719 526 E CB -1.013 28.702 29.700 0.025 0.000 1.236 526 E HN 0.634 nan 8.360 nan 0.000 0.386 527 N N -0.789 117.921 118.700 0.017 0.000 2.741 527 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 527 N C -0.598 174.951 175.510 0.065 0.000 1.115 527 N CA 1.898 54.961 53.050 0.022 0.000 0.724 527 N CB -1.036 37.458 38.487 0.013 0.000 1.090 527 N HN 0.634 nan 8.380 nan 0.000 0.558 528 T N -3.327 111.284 114.554 0.096 0.000 2.888 528 T HA 0.628 4.978 4.350 -0.000 0.000 0.284 528 T C -0.715 174.147 174.700 0.269 0.000 1.017 528 T CA -0.663 61.525 62.100 0.146 0.000 1.022 528 T CB 2.379 71.315 68.868 0.114 0.000 1.013 528 T HN 0.270 nan 8.240 nan 0.000 0.465 529 W N 2.715 124.031 121.300 0.027 0.000 3.259 529 W HA 0.624 5.284 4.660 -0.000 0.000 0.331 529 W C -2.291 174.243 176.519 0.026 0.000 1.144 529 W CA -1.295 56.091 57.345 0.069 0.000 1.227 529 W CB 1.570 31.096 29.460 0.110 0.000 1.371 529 W HN 0.719 nan 8.180 nan 0.000 0.491 530 V N 7.742 127.597 119.914 -0.098 0.000 2.540 530 V HA 0.580 4.700 4.120 -0.000 0.000 0.302 530 V C -0.946 174.994 176.094 -0.256 0.000 1.035 530 V CA -0.797 61.247 62.300 -0.426 0.000 0.873 530 V CB 1.215 32.603 31.823 -0.726 0.000 0.992 530 V HN 0.370 nan 8.190 nan 0.000 0.428 531 Y N 2.503 122.514 120.300 -0.481 0.000 2.615 531 Y HA 0.882 5.432 4.550 -0.000 0.000 0.341 531 Y C -1.816 173.943 175.900 -0.234 0.000 1.089 531 Y CA -1.796 56.217 58.100 -0.144 0.000 1.049 531 Y CB 1.634 39.924 38.460 -0.283 0.000 1.296 531 Y HN 0.368 nan 8.280 nan 0.000 0.470 532 F N 1.555 121.692 119.950 0.311 0.000 2.540 532 F HA 0.659 5.186 4.527 -0.000 0.000 0.317 532 F C -0.368 175.630 175.800 0.330 0.000 1.104 532 F CA -1.090 57.056 58.000 0.244 0.000 0.913 532 F CB 1.950 41.090 39.000 0.234 0.000 1.170 532 F HN 0.324 nan 8.300 nan 0.000 0.450 533 R N 2.691 123.429 120.500 0.397 0.000 2.346 533 R HA 0.499 4.839 4.340 -0.000 0.000 0.311 533 R C -1.342 175.139 176.300 0.303 0.000 0.983 533 R CA -0.759 55.492 56.100 0.252 0.000 0.880 533 R CB 1.161 31.524 30.300 0.106 0.000 1.100 533 R HN 0.815 nan 8.270 nan 0.000 0.453 534 Y N -0.238 120.115 120.300 0.088 0.000 2.552 534 Y HA 0.605 5.155 4.550 0.000 0.000 0.337 534 Y C -0.949 174.961 175.900 0.018 0.000 1.094 534 Y CA -1.328 56.810 58.100 0.064 0.000 1.028 534 Y CB 1.592 40.098 38.460 0.077 0.000 1.321 534 Y HN 0.696 nan 8.280 nan 0.000 0.456 535 N N 0.237 119.005 118.700 0.114 0.000 3.364 535 N HA 0.198 4.938 4.740 -0.000 0.000 0.294 535 N C -0.299 175.268 175.510 0.096 0.000 1.562 535 N CA -0.698 52.381 53.050 0.049 0.000 0.862 535 N CB 0.766 39.224 38.487 -0.048 0.000 1.691 535 N HN 0.764 nan 8.380 nan 0.000 0.572 536 K N -1.404 119.028 120.400 0.053 0.000 2.362 536 K HA 0.005 4.325 4.320 -0.000 0.000 0.200 536 K C -0.406 176.212 176.600 0.030 0.000 1.046 536 K CA 1.381 57.696 56.287 0.046 0.000 0.952 536 K CB -0.154 32.362 32.500 0.027 0.000 0.753 536 K HN 0.412 nan 8.250 nan 0.000 0.466 537 D N 0.525 120.935 120.400 0.017 0.000 2.338 537 D HA 0.056 4.696 4.640 -0.000 0.000 0.208 537 D C 0.025 176.330 176.300 0.009 0.000 0.997 537 D CA 0.620 54.622 54.000 0.002 0.000 0.880 537 D CB 0.562 41.349 40.800 -0.021 0.000 0.980 537 D HN 0.194 nan 8.370 nan 0.000 0.509 538 K N -0.016 120.399 120.400 0.024 0.000 2.562 538 K HA 0.415 4.735 4.320 -0.000 0.000 0.267 538 K C -1.469 175.185 176.600 0.090 0.000 0.938 538 K CA -0.591 55.717 56.287 0.035 0.000 0.840 538 K CB 2.399 34.891 32.500 -0.013 0.000 1.390 538 K HN -0.268 nan 8.250 nan 0.000 0.428 539 R N 2.886 123.458 120.500 0.121 0.000 2.562 539 R HA 0.568 4.908 4.340 -0.000 0.000 0.298 539 R C -0.797 175.607 176.300 0.173 0.000 0.961 539 R CA -0.680 55.544 56.100 0.206 0.000 0.881 539 R CB 1.469 31.924 30.300 0.257 0.000 1.159 539 R HN 0.460 nan 8.270 nan 0.000 0.450 540 I N 3.344 124.024 120.570 0.183 0.000 2.418 540 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 540 I C -0.423 175.676 176.117 -0.031 0.000 1.008 540 I CA -0.487 60.872 61.300 0.098 0.000 1.104 540 I CB 1.964 40.038 38.000 0.123 0.000 1.264 540 I HN 0.435 nan 8.210 nan 0.000 0.438 541 M N 7.692 127.152 119.600 -0.235 0.000 2.101 541 M HA 0.492 4.972 4.480 -0.000 0.000 0.340 541 M C -1.616 174.304 176.300 -0.633 0.000 1.057 541 M CA -0.540 54.314 55.300 -0.744 0.000 0.984 541 M CB 1.180 33.299 32.600 -0.802 0.000 1.560 541 M HN 0.302 nan 8.290 nan 0.000 0.435 542 V N 4.735 124.137 119.914 -0.853 0.000 2.427 542 V HA 0.814 4.934 4.120 -0.000 0.000 0.286 542 V C -0.123 175.475 176.094 -0.827 0.000 1.034 542 V CA -0.549 61.249 62.300 -0.836 0.000 0.893 542 V CB 1.225 32.347 31.823 -1.168 0.000 0.982 542 V HN 0.919 nan 8.190 nan 0.000 0.452 543 A N 7.018 129.529 122.820 -0.514 0.000 2.381 543 A HA 0.927 5.247 4.320 -0.000 0.000 0.299 543 A C -0.665 176.802 177.584 -0.196 0.000 1.049 543 A CA -0.669 51.140 52.037 -0.379 0.000 0.715 543 A CB 1.574 20.362 19.000 -0.354 0.000 1.222 543 A HN 0.960 nan 8.150 nan 0.000 0.428 544 M N 1.425 120.977 119.600 -0.080 0.000 2.395 544 M HA 0.644 5.124 4.480 -0.000 0.000 0.307 544 M C -1.078 175.256 176.300 0.056 0.000 1.091 544 M CA -0.731 54.576 55.300 0.013 0.000 0.919 544 M CB 2.091 34.741 32.600 0.083 0.000 1.662 544 M HN 0.476 nan 8.290 nan 0.000 0.440 545 N N 2.514 121.238 118.700 0.040 0.000 2.621 545 N HA 0.223 4.963 4.740 -0.000 0.000 0.237 545 N C -1.357 174.183 175.510 0.050 0.000 0.997 545 N CA -0.221 52.858 53.050 0.047 0.000 0.918 545 N CB 0.727 39.232 38.487 0.031 0.000 1.122 545 N HN 0.825 nan 8.380 nan 0.000 0.510 546 N N 3.408 122.142 118.700 0.058 0.000 3.259 546 N HA 0.181 4.921 4.740 -0.000 0.000 0.308 546 N C -1.382 174.150 175.510 0.036 0.000 1.334 546 N CA -0.036 53.042 53.050 0.046 0.000 1.202 546 N CB -0.495 38.016 38.487 0.040 0.000 1.485 546 N HN 0.475 nan 8.380 nan 0.000 0.549 547 N N -0.172 118.551 118.700 0.038 0.000 2.405 547 N HA 0.099 4.839 4.740 -0.000 0.000 0.274 547 N C -1.378 174.153 175.510 0.034 0.000 1.170 547 N CA -0.465 52.604 53.050 0.032 0.000 0.848 547 N CB 1.418 39.923 38.487 0.030 0.000 1.629 547 N HN 0.197 nan 8.380 nan 0.000 0.481 548 D N 1.523 121.942 120.400 0.032 0.000 2.870 548 D HA 0.065 4.705 4.640 -0.000 0.000 0.241 548 D C -0.192 176.125 176.300 0.029 0.000 1.234 548 D CA 0.609 54.629 54.000 0.033 0.000 0.844 548 D CB 0.335 41.154 40.800 0.032 0.000 1.051 548 D HN 0.415 nan 8.370 nan 0.000 0.469 549 K N -0.965 119.452 120.400 0.028 0.000 2.556 549 K HA 0.505 4.825 4.320 -0.000 0.000 0.274 549 K C -3.274 173.341 176.600 0.024 0.000 0.966 549 K CA -1.697 54.604 56.287 0.024 0.000 0.865 549 K CB 2.116 34.628 32.500 0.021 0.000 1.444 549 K HN -0.301 nan 8.250 nan 0.000 0.433 550 P HA 0.164 nan 4.420 nan 0.000 0.274 550 P C -0.840 176.473 177.300 0.022 0.000 1.231 550 P CA -0.215 62.897 63.100 0.020 0.000 0.790 550 P CB 0.536 32.246 31.700 0.017 0.000 0.951 551 M N 1.007 120.621 119.600 0.023 0.000 2.446 551 M HA 0.321 4.801 4.480 -0.000 0.000 0.294 551 M C -0.505 175.812 176.300 0.028 0.000 1.158 551 M CA -0.234 55.082 55.300 0.027 0.000 0.899 551 M CB 2.181 34.802 32.600 0.034 0.000 1.687 551 M HN 0.166 nan 8.290 nan 0.000 0.455 552 T N 3.996 118.568 114.554 0.030 0.000 2.786 552 T HA 0.713 5.063 4.350 -0.000 0.000 0.283 552 T C -0.369 174.357 174.700 0.044 0.000 0.992 552 T CA -0.523 61.596 62.100 0.032 0.000 0.954 552 T CB 1.032 69.914 68.868 0.022 0.000 0.934 552 T HN 0.456 nan 8.240 nan 0.000 0.440 553 L N 5.172 126.436 121.223 0.069 0.000 2.294 553 L HA 0.405 4.745 4.340 -0.000 0.000 0.283 553 L C -2.442 174.486 176.870 0.096 0.000 1.015 553 L CA -2.486 52.419 54.840 0.108 0.000 0.831 553 L CB 1.364 43.560 42.059 0.227 0.000 1.217 553 L HN 0.279 nan 8.230 nan 0.000 0.420 554 P HA -0.015 nan 4.420 nan 0.000 0.262 554 P C 0.869 178.134 177.300 -0.059 0.000 1.182 554 P CA 0.122 63.205 63.100 -0.029 0.000 0.761 554 P CB 0.632 32.286 31.700 -0.076 0.000 0.795 555 T N -0.197 114.369 114.554 0.020 0.000 3.113 555 T HA 0.071 4.421 4.350 -0.000 0.000 0.256 555 T C 1.688 176.356 174.700 -0.053 0.000 1.131 555 T CA 0.562 62.723 62.100 0.101 0.000 1.074 555 T CB -0.486 68.483 68.868 0.168 0.000 0.944 555 T HN 0.277 nan 8.240 nan 0.000 0.516 556 A N 2.467 125.221 122.820 -0.110 0.000 1.948 556 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 556 A C 2.470 179.929 177.584 -0.207 0.000 1.177 556 A CA 1.739 53.707 52.037 -0.114 0.000 0.636 556 A CB -0.851 18.095 19.000 -0.091 0.000 0.815 556 A HN 0.533 nan 8.150 nan 0.000 0.449 557 R N -1.493 118.745 120.500 -0.436 0.000 2.117 557 R HA -0.167 4.173 4.340 -0.000 0.000 0.243 557 R C 0.648 176.598 176.300 -0.582 0.000 1.143 557 R CA 1.877 57.608 56.100 -0.616 0.000 0.968 557 R CB -0.280 29.378 30.300 -1.069 0.000 0.863 557 R HN 0.511 nan 8.270 nan 0.000 0.444 558 F N 0.247 120.062 119.950 -0.226 0.000 2.641 558 F HA 0.211 4.738 4.527 -0.000 0.000 0.302 558 F C 1.717 177.450 175.800 -0.113 0.000 1.098 558 F CA -0.300 57.501 58.000 -0.332 0.000 1.318 558 F CB 0.225 39.030 39.000 -0.326 0.000 1.035 558 F HN -0.111 nan 8.300 nan 0.000 0.551 559 Q N 1.178 121.006 119.800 0.046 0.000 2.291 559 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 559 Q C 2.030 178.023 176.000 -0.013 0.000 0.976 559 Q CA 1.411 57.225 55.803 0.017 0.000 0.875 559 Q CB -0.379 28.359 28.738 -0.000 0.000 0.927 559 Q HN 0.667 nan 8.270 nan 0.000 0.450 560 E N -0.993 119.218 120.200 0.018 0.000 2.268 560 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 560 E C 1.513 178.007 176.600 -0.177 0.000 0.995 560 E CA 0.696 57.070 56.400 -0.044 0.000 0.836 560 E CB 0.025 29.721 29.700 -0.006 0.000 0.763 560 E HN 0.194 nan 8.360 nan 0.000 0.491 561 M N 0.231 119.674 119.600 -0.263 0.000 2.657 561 M HA 0.177 4.657 4.480 -0.000 0.000 0.262 561 M C 2.192 178.220 176.300 -0.453 0.000 1.213 561 M CA 0.527 55.447 55.300 -0.632 0.000 1.182 561 M CB -0.060 31.642 32.600 -1.497 0.000 1.303 561 M HN 0.169 nan 8.290 nan 0.000 0.501 562 L N 0.008 121.098 121.223 -0.222 0.000 2.209 562 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 562 L C 0.541 177.396 176.870 -0.025 0.000 1.094 562 L CA 0.200 55.017 54.840 -0.038 0.000 0.790 562 L CB -0.156 41.950 42.059 0.079 0.000 0.932 562 L HN 0.197 nan 8.230 nan 0.000 0.447 563 K N 0.882 121.258 120.400 -0.040 0.000 3.156 563 K HA -0.234 4.086 4.320 -0.000 0.000 0.266 563 K C 0.960 177.558 176.600 -0.004 0.000 0.966 563 K CA 0.800 57.072 56.287 -0.026 0.000 0.719 563 K CB -2.224 30.253 32.500 -0.038 0.000 1.333 563 K HN 0.655 nan 8.250 nan 0.000 0.468 564 G N -1.450 107.354 108.800 0.007 0.000 2.162 564 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 564 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 564 G C 0.343 175.256 174.900 0.022 0.000 0.976 564 G CA 0.755 45.864 45.100 0.014 0.000 0.655 564 G HN 1.108 nan 8.290 nan 0.000 0.533 565 A N 0.787 123.625 122.820 0.030 0.000 2.566 565 A HA 0.511 4.831 4.320 -0.000 0.000 0.245 565 A C 0.160 177.766 177.584 0.036 0.000 1.056 565 A CA 0.305 52.364 52.037 0.037 0.000 0.757 565 A CB 0.428 19.460 19.000 0.053 0.000 0.979 565 A HN 0.247 nan 8.150 nan 0.000 0.508 566 P HA 0.023 nan 4.420 nan 0.000 0.231 566 P C 0.160 177.475 177.300 0.024 0.000 1.168 566 P CA 1.276 64.391 63.100 0.024 0.000 0.779 566 P CB 0.071 31.782 31.700 0.019 0.000 0.844 567 S N -2.949 112.767 115.700 0.026 0.000 2.645 567 S HA 0.642 5.112 4.470 -0.000 0.000 0.268 567 S C -0.847 173.767 174.600 0.023 0.000 1.110 567 S CA -0.304 57.908 58.200 0.020 0.000 0.823 567 S CB 1.077 64.286 63.200 0.014 0.000 1.091 567 S HN 0.292 nan 8.310 nan 0.000 0.466 568 G N -0.292 108.517 108.800 0.015 0.000 2.677 568 G HA2 0.592 4.552 3.960 -0.000 0.000 0.291 568 G HA3 0.592 4.552 3.960 -0.000 0.000 0.291 568 G C -1.597 173.310 174.900 0.011 0.000 1.435 568 G CA -0.553 44.559 45.100 0.019 0.000 0.826 568 G HN 1.198 nan 8.290 nan 0.000 0.491 569 V N 1.294 121.222 119.914 0.022 0.000 2.432 569 V HA 0.233 4.353 4.120 -0.000 0.000 0.271 569 V C 0.069 176.174 176.094 0.019 0.000 1.046 569 V CA -0.389 61.923 62.300 0.021 0.000 0.945 569 V CB 1.260 33.106 31.823 0.038 0.000 0.992 569 V HN 0.770 nan 8.190 nan 0.000 0.471 570 D N 3.324 123.717 120.400 -0.011 0.000 2.371 570 D HA 0.007 4.647 4.640 -0.000 0.000 0.256 570 D C 0.624 176.908 176.300 -0.027 0.000 1.193 570 D CA -0.142 53.839 54.000 -0.032 0.000 0.881 570 D CB 0.636 41.398 40.800 -0.064 0.000 1.143 570 D HN 0.399 nan 8.370 nan 0.000 0.473 571 F N 4.242 124.076 119.950 -0.193 0.000 2.216 571 F HA -0.078 4.449 4.527 0.000 0.000 0.300 571 F C 1.360 177.001 175.800 -0.264 0.000 1.085 571 F CA 1.149 58.986 58.000 -0.273 0.000 1.326 571 F CB -0.015 38.678 39.000 -0.512 0.000 1.027 571 F HN 0.458 nan 8.300 nan 0.000 0.497 572 L N -0.366 120.634 121.223 -0.373 0.000 2.005 572 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 572 L C 2.640 179.329 176.870 -0.301 0.000 1.072 572 L CA 1.744 56.351 54.840 -0.388 0.000 0.744 572 L CB -1.075 40.858 42.059 -0.209 0.000 0.895 572 L HN 0.300 nan 8.230 nan 0.000 0.433 573 S N -1.245 114.340 115.700 -0.192 0.000 2.503 573 S HA 0.138 4.608 4.470 -0.000 0.000 0.217 573 S C 1.607 176.134 174.600 -0.122 0.000 0.999 573 S CA 0.443 58.566 58.200 -0.130 0.000 0.914 573 S CB 0.664 63.816 63.200 -0.079 0.000 0.782 573 S HN 0.556 nan 8.310 nan 0.000 0.520 574 G N 1.229 109.949 108.800 -0.134 0.000 2.184 574 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.264 574 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.264 574 G C -0.023 174.851 174.900 -0.044 0.000 0.975 574 G CA 0.522 45.572 45.100 -0.084 0.000 0.642 574 G HN 0.616 nan 8.290 nan 0.000 0.536 575 K N 1.002 121.375 120.400 -0.045 0.000 2.185 575 K HA 0.489 4.809 4.320 -0.000 0.000 0.271 575 K C 0.396 176.984 176.600 -0.019 0.000 1.013 575 K CA -0.058 56.212 56.287 -0.028 0.000 0.943 575 K CB 0.715 33.198 32.500 -0.029 0.000 0.998 575 K HN 0.094 nan 8.250 nan 0.000 0.468 576 T N 1.838 116.385 114.554 -0.010 0.000 2.814 576 T HA 0.161 4.511 4.350 -0.000 0.000 0.297 576 T C -0.174 174.521 174.700 -0.009 0.000 0.956 576 T CA -0.546 61.551 62.100 -0.005 0.000 1.123 576 T CB 0.460 69.329 68.868 0.001 0.000 0.902 576 T HN 0.135 nan 8.240 nan 0.000 0.528 577 V N 3.144 123.051 119.914 -0.012 0.000 2.417 577 V HA 0.591 4.711 4.120 -0.000 0.000 0.291 577 V C 0.963 177.053 176.094 -0.007 0.000 1.024 577 V CA -1.028 61.262 62.300 -0.016 0.000 0.861 577 V CB 1.648 33.451 31.823 -0.034 0.000 0.985 577 V HN 1.035 nan 8.190 nan 0.000 0.436 578 G N 3.358 112.157 108.800 -0.003 0.000 2.442 578 G HA2 0.474 4.434 3.960 -0.000 0.000 0.249 578 G HA3 0.474 4.434 3.960 -0.000 0.000 0.249 578 G C 0.127 175.034 174.900 0.011 0.000 1.263 578 G CA -0.140 44.964 45.100 0.006 0.000 0.846 578 G HN 0.744 nan 8.290 nan 0.000 0.555 579 L N 2.115 123.351 121.223 0.022 0.000 3.360 579 L HA 0.208 4.548 4.340 -0.000 0.000 0.303 579 L C 2.433 179.330 176.870 0.045 0.000 1.218 579 L CA 0.276 55.139 54.840 0.038 0.000 1.059 579 L CB 0.621 42.707 42.059 0.045 0.000 1.468 579 L HN 0.722 nan 8.230 nan 0.000 0.614 580 G N 0.523 109.342 108.800 0.031 0.000 2.446 580 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 580 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 580 G C 1.653 176.568 174.900 0.025 0.000 1.168 580 G CA 0.922 46.037 45.100 0.026 0.000 0.771 580 G HN 0.232 nan 8.290 nan 0.000 0.551 581 R N 0.060 120.573 120.500 0.023 0.000 2.492 581 R HA 0.186 4.526 4.340 -0.000 0.000 0.219 581 R C -0.172 176.142 176.300 0.023 0.000 0.886 581 R CA 0.627 56.737 56.100 0.017 0.000 1.003 581 R CB 0.678 30.983 30.300 0.009 0.000 1.345 581 R HN 0.584 nan 8.270 nan 0.000 0.631 582 E N 0.450 120.670 120.200 0.033 0.000 2.390 582 E HA 0.194 4.544 4.350 -0.000 0.000 0.280 582 E C -1.855 174.772 176.600 0.046 0.000 0.992 582 E CA -0.883 55.543 56.400 0.043 0.000 0.790 582 E CB 1.356 31.072 29.700 0.027 0.000 1.248 582 E HN -0.025 nan 8.360 nan 0.000 0.447 583 L N 1.691 122.950 121.223 0.061 0.000 2.298 583 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 583 L C -0.899 175.984 176.870 0.022 0.000 1.013 583 L CA -0.403 54.456 54.840 0.031 0.000 0.824 583 L CB 1.029 43.098 42.059 0.018 0.000 1.221 583 L HN 0.552 nan 8.230 nan 0.000 0.418 584 R N 6.376 126.881 120.500 0.008 0.000 2.204 584 R HA 0.479 4.819 4.340 -0.000 0.000 0.341 584 R C -1.129 175.170 176.300 -0.001 0.000 1.035 584 R CA -0.464 55.640 56.100 0.007 0.000 0.887 584 R CB 0.548 30.853 30.300 0.007 0.000 1.114 584 R HN 0.620 nan 8.270 nan 0.000 0.473 585 L N 2.803 124.028 121.223 0.003 0.000 2.275 585 L HA 0.439 4.779 4.340 -0.000 0.000 0.288 585 L C 0.721 177.596 176.870 0.008 0.000 1.046 585 L CA -0.664 54.175 54.840 -0.002 0.000 0.805 585 L CB 1.527 43.585 42.059 -0.002 0.000 1.193 585 L HN 0.616 nan 8.230 nan 0.000 0.426 586 A N 5.386 128.211 122.820 0.007 0.000 2.386 586 A HA 0.463 4.783 4.320 -0.000 0.000 0.246 586 A C -2.300 175.298 177.584 0.022 0.000 1.089 586 A CA -1.153 50.893 52.037 0.015 0.000 0.790 586 A CB -0.421 18.588 19.000 0.015 0.000 1.042 586 A HN 0.466 nan 8.150 nan 0.000 0.497 587 P HA 0.057 nan 4.420 nan 0.000 0.262 587 P C -0.450 176.875 177.300 0.043 0.000 1.182 587 P CA 0.550 63.670 63.100 0.034 0.000 0.761 587 P CB 0.109 31.830 31.700 0.035 0.000 0.795 588 K N -0.611 119.816 120.400 0.045 0.000 3.035 588 K HA -0.152 4.168 4.320 -0.000 0.000 0.262 588 K C 0.050 176.681 176.600 0.052 0.000 1.024 588 K CA 0.662 56.982 56.287 0.055 0.000 0.748 588 K CB -2.099 30.445 32.500 0.073 0.000 1.247 588 K HN 0.677 nan 8.250 nan 0.000 0.482 589 S N -0.843 114.878 115.700 0.034 0.000 2.651 589 S HA 0.719 5.189 4.470 -0.000 0.000 0.291 589 S C -0.163 174.438 174.600 0.002 0.000 1.141 589 S CA -0.722 57.490 58.200 0.020 0.000 1.027 589 S CB 2.743 65.947 63.200 0.007 0.000 1.043 589 S HN 0.234 nan 8.310 nan 0.000 0.530 590 V N 1.672 121.576 119.914 -0.017 0.000 2.808 590 V HA 0.763 4.883 4.120 -0.000 0.000 0.308 590 V C -0.953 175.094 176.094 -0.079 0.000 1.099 590 V CA -0.477 61.793 62.300 -0.049 0.000 0.920 590 V CB 1.776 33.577 31.823 -0.037 0.000 1.014 590 V HN 1.252 nan 8.190 nan 0.000 0.425 591 V N 4.129 123.972 119.914 -0.120 0.000 2.864 591 V HA 0.860 4.980 4.120 -0.000 0.000 0.314 591 V C -0.863 175.127 176.094 -0.172 0.000 1.073 591 V CA -0.679 61.542 62.300 -0.132 0.000 0.956 591 V CB 1.968 33.716 31.823 -0.125 0.000 1.023 591 V HN 0.672 nan 8.190 nan 0.000 0.435 592 V N 4.627 124.455 119.914 -0.144 0.000 2.380 592 V HA 0.437 4.557 4.120 -0.000 0.000 0.268 592 V C -0.196 175.850 176.094 -0.080 0.000 1.008 592 V CA -0.093 62.124 62.300 -0.139 0.000 0.823 592 V CB 0.771 32.505 31.823 -0.149 0.000 1.053 592 V HN 0.789 nan 8.190 nan 0.000 0.446 593 I N 3.296 123.800 120.570 -0.110 0.000 2.371 593 I HA 0.344 4.514 4.170 -0.000 0.000 0.290 593 I C 0.457 176.573 176.117 -0.002 0.000 1.028 593 I CA -0.086 61.180 61.300 -0.058 0.000 1.345 593 I CB 1.072 39.016 38.000 -0.093 0.000 1.407 593 I HN 0.522 nan 8.210 nan 0.000 0.501 594 E N 7.252 127.482 120.200 0.051 0.000 2.175 594 E HA 0.661 5.011 4.350 -0.000 0.000 0.278 594 E C -0.998 175.645 176.600 0.072 0.000 0.969 594 E CA -0.577 55.874 56.400 0.085 0.000 0.796 594 E CB 2.127 31.899 29.700 0.120 0.000 1.104 594 E HN 0.432 nan 8.360 nan 0.000 0.395 595 L N 3.144 124.415 121.223 0.081 0.000 2.359 595 L HA 0.519 4.859 4.340 -0.000 0.000 0.256 595 L C -2.414 174.497 176.870 0.068 0.000 1.026 595 L CA -2.493 52.394 54.840 0.078 0.000 0.828 595 L CB 1.917 44.039 42.059 0.106 0.000 1.406 595 L HN 0.320 nan 8.230 nan 0.000 0.413 596 P HA 0.082 nan 4.420 nan 0.000 0.271 596 P C -0.166 177.165 177.300 0.052 0.000 1.244 596 P CA -0.261 62.865 63.100 0.044 0.000 0.793 596 P CB 0.303 32.023 31.700 0.034 0.000 0.984 597 G N -0.014 108.811 108.800 0.042 0.000 2.720 597 G HA2 0.205 4.165 3.960 -0.000 0.000 0.237 597 G HA3 0.205 4.165 3.960 -0.000 0.000 0.237 597 G C -0.905 174.025 174.900 0.050 0.000 1.239 597 G CA -0.135 44.995 45.100 0.051 0.000 0.847 597 G HN 0.479 nan 8.290 nan 0.000 0.593 598 L N 2.627 123.891 121.223 0.068 0.000 2.287 598 L HA 0.486 4.826 4.340 -0.000 0.000 0.287 598 L C -1.794 175.103 176.870 0.045 0.000 1.022 598 L CA -1.563 53.300 54.840 0.039 0.000 0.814 598 L CB 1.447 43.519 42.059 0.021 0.000 1.217 598 L HN 0.310 nan 8.230 nan 0.000 0.420 599 P HA 0.000 nan 4.420 nan 0.000 0.216 599 P CA 0.000 63.112 63.100 0.021 0.000 0.800 599 P CB 0.000 31.705 31.700 0.008 0.000 0.726