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 2z3t_1_C DATA FIRST_RESID 5 DATA SEQUENCE TLPRFDLMGW DKKDIADPYP VYRRYREAAP VHRTASGPGK PDTYYVFTYD DATA SEQUENCE DVVRVLSNRR LGRNARXXXX XXXXXXXXXX XXXRALRTVV ENWLVFLDPP DATA SEQUENCE HHTELRSLLT TEFSPSIVTG LRPRIAELAS ALLDRLRAQR RPDLVEGFAA DATA SEQUENCE PLPILVISAL LGIPEEDHTW LRANAVALQE ASTTRAXXXR GYARAEAASQ DATA SEQUENCE EFTRYFRREV DRXXXXXXXD LLTLLVRARD TGSPLSVDGI VGTCVHLLTA DATA SEQUENCE GHETTTNFLA KAVLTLRAHR DVLDELRTTP ESTPAAVEEL MRYDPPVQAV DATA SEQUENCE TRWAYEDIRL GDHDIPRGSR VVALLGSANR DPARFPDPDV LDVHRAAERQ DATA SEQUENCE VGFGLGIHYC LGATLARAEA EIGLRALLDG IPALGRGAHE VEYADDMVFH DATA SEQUENCE GPTRLLLDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.657 174.700 -0.071 0.000 1.109 5 T CA 0.000 62.081 62.100 -0.031 0.000 1.349 5 T CB 0.000 68.863 68.868 -0.009 0.000 0.612 6 L N 1.440 122.625 121.223 -0.064 0.000 2.388 6 L HA 0.701 5.010 4.340 -0.052 0.000 0.264 6 L C -1.951 174.922 176.870 0.005 0.000 0.998 6 L CA -2.107 52.653 54.840 -0.133 0.000 0.817 6 L CB 2.287 44.121 42.059 -0.375 0.000 1.338 6 L HN 0.679 nan 8.230 nan 0.000 0.414 7 P HA 0.174 nan 4.420 nan 0.000 0.271 7 P C -0.772 176.628 177.300 0.167 0.000 1.244 7 P CA -0.565 62.570 63.100 0.059 0.000 0.793 7 P CB 0.612 32.306 31.700 -0.009 0.000 0.984 8 R N 0.083 120.654 120.500 0.118 0.000 2.570 8 R HA 0.167 4.475 4.340 -0.052 0.000 0.277 8 R C 0.177 176.536 176.300 0.099 0.000 1.039 8 R CA -0.039 56.154 56.100 0.155 0.000 1.065 8 R CB -0.257 30.110 30.300 0.111 0.000 0.964 8 R HN 0.399 nan 8.270 nan 0.000 0.428 9 F N 3.551 123.470 119.950 -0.052 0.000 2.375 9 F HA 0.231 4.729 4.527 -0.049 0.000 0.333 9 F C 0.008 175.608 175.800 -0.334 0.000 1.104 9 F CA 0.062 57.855 58.000 -0.345 0.000 1.149 9 F CB 0.802 39.372 39.000 -0.715 0.000 1.190 9 F HN 0.603 nan 8.300 nan 0.000 0.533 10 D N 5.059 124.876 120.400 -0.971 0.000 2.722 10 D HA 0.028 4.637 4.640 -0.052 0.000 0.231 10 D C -0.798 175.267 176.300 -0.392 0.000 1.218 10 D CA -0.479 53.243 54.000 -0.464 0.000 0.753 10 D CB 0.609 41.386 40.800 -0.038 0.000 1.471 10 D HN 0.626 nan 8.370 nan 0.000 0.455 11 L N 0.282 121.438 121.223 -0.112 0.000 2.552 11 L HA 0.094 4.403 4.340 -0.052 0.000 0.227 11 L C 0.811 177.651 176.870 -0.051 0.000 1.146 11 L CA 0.502 55.288 54.840 -0.090 0.000 0.858 11 L CB -0.236 41.771 42.059 -0.087 0.000 0.969 11 L HN 0.293 nan 8.230 nan 0.000 0.451 12 M N -0.405 119.234 119.600 0.066 0.000 2.367 12 M HA 0.341 4.790 4.480 -0.052 0.000 0.339 12 M C 1.090 177.476 176.300 0.142 0.000 1.177 12 M CA -0.123 55.227 55.300 0.083 0.000 1.068 12 M CB 0.657 33.297 32.600 0.067 0.000 1.602 12 M HN 0.122 nan 8.290 nan 0.000 0.457 13 G N 1.669 110.543 108.800 0.124 0.000 2.272 13 G HA2 -0.212 3.716 3.960 -0.052 0.000 0.280 13 G HA3 -0.212 3.716 3.960 -0.052 0.000 0.280 13 G C -0.927 174.055 174.900 0.137 0.000 1.067 13 G CA -0.242 44.918 45.100 0.100 0.000 0.902 13 G HN 0.685 nan 8.290 nan 0.000 0.500 14 W N 0.053 121.291 121.300 -0.102 0.000 2.316 14 W HA 0.527 5.177 4.660 -0.016 0.000 0.321 14 W C 0.618 177.086 176.519 -0.086 0.000 1.203 14 W CA -0.602 56.669 57.345 -0.123 0.000 1.214 14 W CB 0.758 30.135 29.460 -0.137 0.000 1.169 14 W HN 0.315 nan 8.180 nan 0.000 0.561 15 D N 2.029 122.452 120.400 0.039 0.000 2.424 15 D HA -0.039 4.570 4.640 -0.052 0.000 0.244 15 D C 1.428 177.771 176.300 0.071 0.000 1.134 15 D CA 0.347 54.354 54.000 0.012 0.000 0.881 15 D CB 1.001 41.760 40.800 -0.068 0.000 1.191 15 D HN 0.433 nan 8.370 nan 0.000 0.445 16 K N 3.354 123.787 120.400 0.056 0.000 2.218 16 K HA -0.248 4.040 4.320 -0.052 0.000 0.205 16 K C 1.646 178.262 176.600 0.027 0.000 1.046 16 K CA 1.372 57.694 56.287 0.057 0.000 0.933 16 K CB 0.070 32.600 32.500 0.049 0.000 0.728 16 K HN 0.413 nan 8.250 nan 0.000 0.454 17 K N 0.097 120.500 120.400 0.006 0.000 2.155 17 K HA -0.119 4.170 4.320 -0.052 0.000 0.203 17 K C 1.009 177.594 176.600 -0.026 0.000 1.052 17 K CA 1.596 57.873 56.287 -0.017 0.000 0.948 17 K CB 0.150 32.635 32.500 -0.025 0.000 0.728 17 K HN 0.175 nan 8.250 nan 0.000 0.448 18 D N 0.749 121.150 120.400 0.001 0.000 2.289 18 D HA -0.032 4.576 4.640 -0.052 0.000 0.207 18 D C 1.887 178.297 176.300 0.182 0.000 0.966 18 D CA 0.664 54.684 54.000 0.034 0.000 0.868 18 D CB 0.170 40.906 40.800 -0.107 0.000 0.943 18 D HN 0.306 nan 8.370 nan 0.000 0.514 19 I N 1.342 122.015 120.570 0.171 0.000 2.315 19 I HA -0.208 3.931 4.170 -0.052 0.000 0.248 19 I C 2.531 178.564 176.117 -0.141 0.000 1.117 19 I CA 0.660 62.005 61.300 0.075 0.000 1.404 19 I CB -0.173 37.879 38.000 0.086 0.000 1.071 19 I HN -0.096 nan 8.210 nan 0.000 0.419 20 A N -0.233 122.411 122.820 -0.294 0.000 1.933 20 A HA -0.217 4.072 4.320 -0.052 0.000 0.218 20 A C 0.989 178.384 177.584 -0.314 0.000 1.175 20 A CA 1.781 53.461 52.037 -0.595 0.000 0.628 20 A CB -0.242 18.582 19.000 -0.293 0.000 0.814 20 A HN 0.439 nan 8.150 nan 0.000 0.444 21 D N -2.293 118.022 120.400 -0.141 0.000 2.364 21 D HA 0.274 4.882 4.640 -0.052 0.000 0.251 21 D C -2.109 174.116 176.300 -0.125 0.000 1.282 21 D CA -1.532 52.431 54.000 -0.061 0.000 0.927 21 D CB 1.428 42.235 40.800 0.012 0.000 1.267 21 D HN 0.049 nan 8.370 nan 0.000 0.531 22 P HA -0.082 nan 4.420 nan 0.000 0.230 22 P C 0.994 177.805 177.300 -0.815 0.000 1.168 22 P CA 0.369 63.153 63.100 -0.527 0.000 0.793 22 P CB 0.255 31.426 31.700 -0.881 0.000 0.851 23 Y N 1.186 121.350 120.300 -0.226 0.000 2.165 23 Y HA -0.091 4.430 4.550 -0.049 0.000 0.286 23 Y C -0.205 175.704 175.900 0.015 0.000 1.155 23 Y CA 1.728 59.816 58.100 -0.020 0.000 1.164 23 Y CB -2.609 35.849 38.460 -0.003 0.000 0.978 23 Y HN 0.186 nan 8.280 nan 0.000 0.513 24 P HA -0.110 nan 4.420 nan 0.000 0.221 24 P C 1.678 178.983 177.300 0.008 0.000 1.150 24 P CA 1.201 64.328 63.100 0.046 0.000 0.800 24 P CB 0.091 31.798 31.700 0.011 0.000 0.787 25 V N -1.472 118.406 119.914 -0.060 0.000 2.323 25 V HA -0.245 3.844 4.120 -0.052 0.000 0.244 25 V C 2.069 178.312 176.094 0.248 0.000 1.041 25 V CA 1.732 64.021 62.300 -0.018 0.000 1.025 25 V CB -1.424 30.298 31.823 -0.168 0.000 0.656 25 V HN 0.024 nan 8.190 nan 0.000 0.451 26 Y N 0.632 121.110 120.300 0.297 0.000 2.165 26 Y HA -0.196 4.325 4.550 -0.049 0.000 0.286 26 Y C 2.669 178.686 175.900 0.195 0.000 1.155 26 Y CA 1.560 59.874 58.100 0.356 0.000 1.164 26 Y CB -0.886 37.760 38.460 0.310 0.000 0.978 26 Y HN 0.129 nan 8.280 nan 0.000 0.513 27 R N 0.543 121.226 120.500 0.306 0.000 2.083 27 R HA -0.187 4.122 4.340 -0.052 0.000 0.237 27 R C 2.360 178.690 176.300 0.049 0.000 1.137 27 R CA 1.702 57.901 56.100 0.165 0.000 0.951 27 R CB -0.139 30.240 30.300 0.131 0.000 0.851 27 R HN 0.278 nan 8.270 nan 0.000 0.434 28 R N -0.997 119.493 120.500 -0.016 0.000 2.081 28 R HA -0.177 4.132 4.340 -0.052 0.000 0.235 28 R C 2.228 178.376 176.300 -0.253 0.000 1.131 28 R CA 1.892 57.901 56.100 -0.152 0.000 0.960 28 R CB -0.428 29.722 30.300 -0.251 0.000 0.856 28 R HN 0.329 nan 8.270 nan 0.000 0.436 29 Y N 0.253 120.377 120.300 -0.294 0.000 2.200 29 Y HA -0.127 4.388 4.550 -0.060 0.000 0.290 29 Y C 2.614 178.205 175.900 -0.515 0.000 1.137 29 Y CA 1.269 58.978 58.100 -0.653 0.000 1.163 29 Y CB -0.231 37.407 38.460 -1.370 0.000 0.988 29 Y HN -0.030 nan 8.280 nan 0.000 0.518 30 R N 0.657 121.002 120.500 -0.258 0.000 2.096 30 R HA -0.176 4.133 4.340 -0.052 0.000 0.235 30 R C 1.784 178.094 176.300 0.017 0.000 1.127 30 R CA 1.819 57.883 56.100 -0.059 0.000 0.968 30 R CB -0.109 30.258 30.300 0.111 0.000 0.861 30 R HN 0.444 nan 8.270 nan 0.000 0.440 31 E N -0.417 119.785 120.200 0.003 0.000 2.208 31 E HA -0.118 4.201 4.350 -0.052 0.000 0.193 31 E C 1.854 178.460 176.600 0.011 0.000 0.988 31 E CA 0.847 57.254 56.400 0.012 0.000 0.828 31 E CB 0.023 29.723 29.700 -0.001 0.000 0.763 31 E HN 0.416 nan 8.360 nan 0.000 0.478 32 A N 1.369 124.196 122.820 0.012 0.000 1.872 32 A HA 0.242 4.530 4.320 -0.052 0.000 0.214 32 A C 1.134 178.749 177.584 0.051 0.000 1.187 32 A CA 1.294 53.357 52.037 0.044 0.000 0.614 32 A CB 0.096 19.146 19.000 0.083 0.000 0.826 32 A HN 0.235 nan 8.150 nan 0.000 0.442 33 A N -2.431 120.438 122.820 0.082 0.000 2.582 33 A HA 0.572 4.861 4.320 -0.052 0.000 0.297 33 A C -2.338 175.247 177.584 0.003 0.000 1.059 33 A CA -0.363 51.647 52.037 -0.044 0.000 0.705 33 A CB 0.400 19.242 19.000 -0.264 0.000 1.279 33 A HN -0.035 nan 8.150 nan 0.000 0.404 34 P HA -0.029 nan 4.420 nan 0.000 0.216 34 P C 0.388 177.786 177.300 0.163 0.000 1.150 34 P CA 1.391 64.548 63.100 0.096 0.000 0.837 34 P CB 0.105 31.836 31.700 0.053 0.000 0.786 35 V N 0.177 120.089 119.914 -0.004 0.000 2.735 35 V HA 0.385 4.474 4.120 -0.052 0.000 0.310 35 V C -0.285 175.677 176.094 -0.219 0.000 1.061 35 V CA -0.777 61.504 62.300 -0.032 0.000 0.913 35 V CB 2.196 33.876 31.823 -0.239 0.000 1.005 35 V HN 0.126 nan 8.190 nan 0.000 0.428 36 H N 3.123 122.251 119.070 0.097 0.000 2.589 36 H HA 0.478 5.004 4.556 -0.050 0.000 0.351 36 H C -0.550 174.865 175.328 0.145 0.000 1.074 36 H CA -0.657 55.487 56.048 0.159 0.000 1.203 36 H CB 2.520 32.438 29.762 0.259 0.000 1.558 36 H HN 0.590 nan 8.280 nan 0.000 0.522 37 R N 2.053 122.671 120.500 0.196 0.000 2.312 37 R HA 0.295 4.604 4.340 -0.052 0.000 0.311 37 R C -0.969 175.349 176.300 0.030 0.000 1.004 37 R CA -0.287 55.741 56.100 -0.119 0.000 0.902 37 R CB 0.818 31.046 30.300 -0.120 0.000 1.073 37 R HN 0.466 nan 8.270 nan 0.000 0.457 38 T N 3.753 118.286 114.554 -0.036 0.000 2.912 38 T HA 0.398 4.717 4.350 -0.052 0.000 0.326 38 T C -0.450 174.248 174.700 -0.004 0.000 1.080 38 T CA -0.380 61.782 62.100 0.103 0.000 1.000 38 T CB 1.165 70.231 68.868 0.331 0.000 1.008 38 T HN 0.773 nan 8.240 nan 0.000 0.473 39 A N 3.214 126.035 122.820 0.003 0.000 2.406 39 A HA 0.676 4.965 4.320 -0.052 0.000 0.243 39 A C 0.896 178.498 177.584 0.031 0.000 1.082 39 A CA -0.414 51.623 52.037 -0.001 0.000 0.786 39 A CB 0.217 19.226 19.000 0.015 0.000 1.029 39 A HN 0.808 nan 8.150 nan 0.000 0.495 40 S N 0.531 116.252 115.700 0.036 0.000 2.767 40 S HA 0.802 5.241 4.470 -0.052 0.000 0.300 40 S C 0.617 175.245 174.600 0.047 0.000 1.123 40 S CA -0.133 58.098 58.200 0.051 0.000 0.992 40 S CB 1.133 64.373 63.200 0.066 0.000 1.138 40 S HN 1.384 nan 8.310 nan 0.000 0.550 41 G N 0.272 109.101 108.800 0.047 0.000 2.829 41 G HA2 0.610 4.539 3.960 -0.052 0.000 0.173 41 G HA3 0.610 4.539 3.960 -0.052 0.000 0.173 41 G C -2.660 172.266 174.900 0.042 0.000 1.476 41 G CA -1.346 43.779 45.100 0.041 0.000 1.072 41 G HN 0.702 nan 8.290 nan 0.000 0.577 42 P HA 0.416 nan 4.420 nan 0.000 0.282 42 P C 0.461 177.785 177.300 0.039 0.000 1.259 42 P CA 0.852 63.974 63.100 0.037 0.000 0.826 42 P CB 1.862 33.580 31.700 0.030 0.000 1.064 43 G N 1.255 110.079 108.800 0.039 0.000 3.597 43 G HA2 -0.215 3.714 3.960 -0.052 0.000 0.202 43 G HA3 -0.215 3.714 3.960 -0.052 0.000 0.202 43 G C -0.079 174.851 174.900 0.051 0.000 1.702 43 G CA 0.226 45.349 45.100 0.039 0.000 1.354 43 G HN 0.850 nan 8.290 nan 0.000 0.609 44 K N 1.151 121.587 120.400 0.061 0.000 6.478 44 K HA -0.120 4.168 4.320 -0.052 0.000 0.706 44 K C -2.765 173.899 176.600 0.106 0.000 2.136 44 K CA 1.018 57.352 56.287 0.078 0.000 1.616 44 K CB -0.465 32.075 32.500 0.068 0.000 1.834 44 K HN 0.634 nan 8.250 nan 0.000 0.304 45 P HA 0.212 nan 4.420 nan 0.000 0.185 45 P C -1.352 176.050 177.300 0.170 0.000 1.858 45 P CA -0.611 62.618 63.100 0.216 0.000 1.348 45 P CB 0.764 32.642 31.700 0.297 0.000 1.556 46 D N 0.806 121.279 120.400 0.121 0.000 2.357 46 D HA 0.223 4.831 4.640 -0.052 0.000 0.242 46 D C -0.360 175.907 176.300 -0.055 0.000 1.153 46 D CA 0.075 54.085 54.000 0.018 0.000 0.918 46 D CB 0.484 41.262 40.800 -0.037 0.000 1.181 46 D HN -0.013 nan 8.370 nan 0.000 0.435 47 T N 0.567 114.991 114.554 -0.216 0.000 2.855 47 T HA 0.397 4.716 4.350 -0.052 0.000 0.281 47 T C -1.018 173.346 174.700 -0.559 0.000 1.007 47 T CA -0.410 61.478 62.100 -0.353 0.000 1.009 47 T CB 0.458 69.073 68.868 -0.421 0.000 0.983 47 T HN 0.227 nan 8.240 nan 0.000 0.455 48 Y N 1.466 121.512 120.300 -0.423 0.000 2.331 48 Y HA 0.470 4.991 4.550 -0.048 0.000 0.334 48 Y C -0.757 174.850 175.900 -0.490 0.000 0.960 48 Y CA -1.051 56.861 58.100 -0.314 0.000 1.130 48 Y CB 1.078 39.432 38.460 -0.178 0.000 1.164 48 Y HN 0.572 nan 8.280 nan 0.000 0.458 49 Y N 2.200 122.492 120.300 -0.014 0.000 2.326 49 Y HA 0.511 5.033 4.550 -0.046 0.000 0.337 49 Y C -0.238 175.506 175.900 -0.260 0.000 1.023 49 Y CA -1.144 56.802 58.100 -0.256 0.000 1.143 49 Y CB 1.124 39.303 38.460 -0.467 0.000 1.183 49 Y HN 0.241 nan 8.280 nan 0.000 0.485 50 V N 5.313 125.070 119.914 -0.262 0.000 2.333 50 V HA 0.143 4.231 4.120 -0.052 0.000 0.274 50 V C -0.168 175.735 176.094 -0.318 0.000 1.028 50 V CA -0.375 61.824 62.300 -0.169 0.000 0.851 50 V CB 0.319 32.052 31.823 -0.150 0.000 1.000 50 V HN 0.731 nan 8.190 nan 0.000 0.456 51 F N 1.286 121.187 119.950 -0.081 0.000 2.731 51 F HA 0.185 4.680 4.527 -0.053 0.000 0.298 51 F C 1.520 177.307 175.800 -0.023 0.000 1.106 51 F CA 0.177 58.125 58.000 -0.087 0.000 1.329 51 F CB 0.314 39.291 39.000 -0.038 0.000 1.100 51 F HN 0.461 nan 8.300 nan 0.000 0.592 52 T N -0.936 113.717 114.554 0.165 0.000 2.909 52 T HA 0.092 4.410 4.350 -0.052 0.000 0.286 52 T C 0.901 175.668 174.700 0.111 0.000 1.002 52 T CA -0.293 61.894 62.100 0.146 0.000 1.074 52 T CB 0.708 69.649 68.868 0.120 0.000 0.984 52 T HN 0.255 nan 8.240 nan 0.000 0.495 53 Y N 3.460 123.793 120.300 0.055 0.000 2.097 53 Y HA -0.199 4.319 4.550 -0.053 0.000 0.282 53 Y C 2.026 177.932 175.900 0.010 0.000 1.152 53 Y CA 2.300 60.428 58.100 0.046 0.000 1.136 53 Y CB -0.109 38.378 38.460 0.045 0.000 0.975 53 Y HN 0.716 nan 8.280 nan 0.000 0.498 54 D N 0.048 120.528 120.400 0.134 0.000 2.123 54 D HA -0.183 4.425 4.640 -0.052 0.000 0.196 54 D C 1.765 178.030 176.300 -0.060 0.000 0.992 54 D CA 1.719 55.737 54.000 0.030 0.000 0.833 54 D CB -0.437 40.410 40.800 0.079 0.000 0.954 54 D HN 0.465 nan 8.370 nan 0.000 0.455 55 D N -0.085 120.294 120.400 -0.036 0.000 2.219 55 D HA -0.067 4.541 4.640 -0.052 0.000 0.205 55 D C 2.186 178.423 176.300 -0.106 0.000 0.970 55 D CA 0.253 54.218 54.000 -0.058 0.000 0.851 55 D CB 0.118 40.900 40.800 -0.031 0.000 0.943 55 D HN 0.081 nan 8.370 nan 0.000 0.488 56 V N 0.742 120.571 119.914 -0.142 0.000 2.427 56 V HA -0.168 3.921 4.120 -0.052 0.000 0.248 56 V C 2.605 178.576 176.094 -0.204 0.000 1.051 56 V CA 0.842 63.033 62.300 -0.181 0.000 1.048 56 V CB -0.201 31.499 31.823 -0.204 0.000 0.666 56 V HN 0.053 nan 8.190 nan 0.000 0.456 57 V N -0.126 119.632 119.914 -0.260 0.000 2.427 57 V HA -0.217 3.872 4.120 -0.052 0.000 0.248 57 V C 2.533 178.548 176.094 -0.132 0.000 1.051 57 V CA 1.856 64.021 62.300 -0.226 0.000 1.048 57 V CB -0.776 30.891 31.823 -0.260 0.000 0.666 57 V HN 0.452 nan 8.190 nan 0.000 0.456 58 R N -0.364 120.068 120.500 -0.113 0.000 2.075 58 R HA -0.098 4.211 4.340 -0.052 0.000 0.232 58 R C 2.275 178.521 176.300 -0.091 0.000 1.126 58 R CA 1.298 57.347 56.100 -0.084 0.000 0.963 58 R CB -0.555 29.703 30.300 -0.070 0.000 0.858 58 R HN 0.375 nan 8.270 nan 0.000 0.435 59 V N 1.375 121.225 119.914 -0.107 0.000 2.295 59 V HA -0.224 3.865 4.120 -0.052 0.000 0.246 59 V C 2.173 178.206 176.094 -0.102 0.000 1.049 59 V CA 1.690 63.922 62.300 -0.114 0.000 1.024 59 V CB -0.365 31.379 31.823 -0.133 0.000 0.648 59 V HN 0.304 nan 8.190 nan 0.000 0.447 60 L N 0.703 121.868 121.223 -0.097 0.000 2.362 60 L HA -0.087 4.222 4.340 -0.052 0.000 0.219 60 L C 2.262 179.099 176.870 -0.055 0.000 1.134 60 L CA 1.557 56.356 54.840 -0.069 0.000 0.807 60 L CB -0.453 41.566 42.059 -0.066 0.000 0.927 60 L HN 0.559 nan 8.230 nan 0.000 0.447 61 S N -2.563 113.098 115.700 -0.064 0.000 2.512 61 S HA 0.037 4.475 4.470 -0.052 0.000 0.216 61 S C 0.875 175.440 174.600 -0.058 0.000 1.006 61 S CA -0.490 57.677 58.200 -0.056 0.000 0.915 61 S CB -0.177 62.994 63.200 -0.050 0.000 0.824 61 S HN 0.295 nan 8.310 nan 0.000 0.497 62 N N 2.320 120.980 118.700 -0.066 0.000 2.452 62 N HA 0.192 4.901 4.740 -0.052 0.000 0.266 62 N C 0.713 176.181 175.510 -0.070 0.000 1.175 62 N CA -0.023 52.988 53.050 -0.064 0.000 0.945 62 N CB 0.660 39.102 38.487 -0.074 0.000 1.063 62 N HN 0.321 nan 8.380 nan 0.000 0.472 63 R N 2.346 122.817 120.500 -0.049 0.000 2.235 63 R HA 0.087 4.396 4.340 -0.052 0.000 0.213 63 R C 1.071 177.350 176.300 -0.036 0.000 1.059 63 R CA 0.551 56.630 56.100 -0.035 0.000 0.997 63 R CB 0.277 30.573 30.300 -0.007 0.000 0.884 63 R HN 0.429 nan 8.270 nan 0.000 0.462 64 R N 0.246 120.717 120.500 -0.048 0.000 2.323 64 R HA 0.106 4.414 4.340 -0.052 0.000 0.198 64 R C -0.098 176.047 176.300 -0.258 0.000 0.988 64 R CA 0.422 56.498 56.100 -0.040 0.000 1.041 64 R CB 0.005 30.309 30.300 0.006 0.000 0.926 64 R HN 0.136 nan 8.270 nan 0.000 0.476 65 L N 0.382 121.416 121.223 -0.314 0.000 2.295 65 L HA 0.424 4.733 4.340 -0.052 0.000 0.281 65 L C 0.670 177.250 176.870 -0.482 0.000 1.018 65 L CA -0.652 53.940 54.840 -0.414 0.000 0.841 65 L CB 1.897 43.828 42.059 -0.213 0.000 1.218 65 L HN -0.026 nan 8.230 nan 0.000 0.424 66 G N 1.776 110.036 108.800 -0.900 0.000 2.601 66 G HA2 0.450 4.379 3.960 -0.052 0.000 0.317 66 G HA3 0.450 4.379 3.960 -0.052 0.000 0.317 66 G C 0.439 175.378 174.900 0.064 0.000 1.246 66 G CA -0.505 44.394 45.100 -0.336 0.000 1.012 66 G HN 0.592 nan 8.290 nan 0.000 0.494 67 R N -0.794 119.824 120.500 0.196 0.000 2.075 67 R HA 0.043 4.352 4.340 -0.052 0.000 0.226 67 R C 0.828 177.370 176.300 0.403 0.000 1.114 67 R CA 0.373 56.613 56.100 0.233 0.000 0.972 67 R CB -0.031 30.316 30.300 0.079 0.000 0.869 67 R HN 0.425 nan 8.270 nan 0.000 0.437 68 N N 1.282 120.158 118.700 0.294 0.000 2.414 68 N HA 0.121 4.830 4.740 -0.052 0.000 0.256 68 N C -1.048 174.383 175.510 -0.132 0.000 1.029 68 N CA -0.120 52.988 53.050 0.098 0.000 0.948 68 N CB 1.313 39.846 38.487 0.076 0.000 1.102 68 N HN 0.130 nan 8.380 nan 0.000 0.496 69 A N 3.773 126.167 122.820 -0.711 0.000 2.509 69 A HA -0.066 4.223 4.320 -0.052 0.000 0.282 69 A C 0.613 177.897 177.584 -0.500 0.000 1.159 69 A CA 0.589 51.900 52.037 -1.210 0.000 0.863 69 A CB -0.294 17.760 19.000 -1.576 0.000 1.029 69 A HN 0.704 nan 8.150 nan 0.000 0.542 89 A N 2.106 124.917 122.820 -0.016 0.000 2.168 89 A HA -0.090 4.199 4.320 -0.052 0.000 0.215 89 A C 1.757 179.333 177.584 -0.013 0.000 1.152 89 A CA 1.007 53.049 52.037 0.008 0.000 0.716 89 A CB -0.017 19.013 19.000 0.050 0.000 0.794 89 A HN 0.510 nan 8.150 nan 0.000 0.465 90 L N -0.427 120.767 121.223 -0.048 0.000 2.023 90 L HA -0.049 4.260 4.340 -0.052 0.000 0.205 90 L C 2.307 179.069 176.870 -0.180 0.000 1.073 90 L CA 1.649 56.432 54.840 -0.095 0.000 0.745 90 L CB -0.433 41.564 42.059 -0.103 0.000 0.900 90 L HN 0.214 nan 8.230 nan 0.000 0.435 91 R N -0.498 119.900 120.500 -0.171 0.000 2.120 91 R HA -0.123 4.186 4.340 -0.052 0.000 0.234 91 R C 2.269 178.465 176.300 -0.173 0.000 1.123 91 R CA 1.642 57.625 56.100 -0.195 0.000 0.975 91 R CB -1.381 28.821 30.300 -0.162 0.000 0.866 91 R HN 0.667 nan 8.270 nan 0.000 0.446 92 T N -1.342 113.141 114.554 -0.117 0.000 2.978 92 T HA 0.010 4.329 4.350 -0.052 0.000 0.262 92 T C 2.055 176.698 174.700 -0.095 0.000 1.063 92 T CA 0.758 62.810 62.100 -0.080 0.000 1.140 92 T CB -0.100 68.752 68.868 -0.027 0.000 0.886 92 T HN -0.059 nan 8.240 nan 0.000 0.470 93 V N 0.877 120.716 119.914 -0.125 0.000 2.323 93 V HA -0.009 4.080 4.120 -0.052 0.000 0.244 93 V C 2.792 178.587 176.094 -0.498 0.000 1.041 93 V CA 1.418 63.635 62.300 -0.139 0.000 1.025 93 V CB -0.382 31.410 31.823 -0.052 0.000 0.656 93 V HN 0.423 nan 8.190 nan 0.000 0.451 94 V N -0.499 118.977 119.914 -0.731 0.000 3.041 94 V HA -0.149 3.940 4.120 -0.052 0.000 0.260 94 V C 2.349 178.127 176.094 -0.528 0.000 1.105 94 V CA 1.621 63.248 62.300 -1.123 0.000 1.125 94 V CB -0.087 31.218 31.823 -0.863 0.000 0.730 94 V HN 0.622 nan 8.190 nan 0.000 0.479 95 E N 0.793 120.807 120.200 -0.310 0.000 2.097 95 E HA -0.292 4.027 4.350 -0.052 0.000 0.196 95 E C 1.638 178.226 176.600 -0.019 0.000 1.000 95 E CA 1.827 58.143 56.400 -0.139 0.000 0.804 95 E CB -0.043 29.605 29.700 -0.088 0.000 0.740 95 E HN 0.821 nan 8.360 nan 0.000 0.454 96 N N -0.941 117.783 118.700 0.040 0.000 2.238 96 N HA -0.035 4.674 4.740 -0.052 0.000 0.222 96 N C -0.931 174.702 175.510 0.205 0.000 1.133 96 N CA -0.371 52.748 53.050 0.115 0.000 0.854 96 N CB 0.172 38.742 38.487 0.139 0.000 1.041 96 N HN -0.016 nan 8.380 nan 0.000 0.510 97 W N 1.298 122.604 121.300 0.009 0.000 2.469 97 W HA 0.148 4.776 4.660 -0.053 0.000 0.321 97 W C 1.203 177.578 176.519 -0.240 0.000 1.415 97 W CA -0.935 56.330 57.345 -0.133 0.000 1.308 97 W CB 0.177 29.677 29.460 0.067 0.000 1.368 97 W HN 0.138 nan 8.180 nan 0.000 0.546 98 L N 4.921 126.003 121.223 -0.235 0.000 2.089 98 L HA -0.227 4.082 4.340 -0.052 0.000 0.213 98 L C 2.023 178.916 176.870 0.038 0.000 1.079 98 L CA 1.757 56.479 54.840 -0.196 0.000 0.758 98 L CB -0.880 41.030 42.059 -0.249 0.000 0.891 98 L HN 0.353 nan 8.230 nan 0.000 0.433 99 V N -1.334 118.424 119.914 -0.260 0.000 3.241 99 V HA -0.173 3.915 4.120 -0.052 0.000 0.269 99 V C 1.355 177.287 176.094 -0.270 0.000 1.151 99 V CA 1.169 63.313 62.300 -0.261 0.000 1.158 99 V CB -0.628 31.008 31.823 -0.312 0.000 0.764 99 V HN 0.445 nan 8.190 nan 0.000 0.508 100 F N -0.511 119.482 119.950 0.072 0.000 2.682 100 F HA 0.450 4.945 4.527 -0.053 0.000 0.308 100 F C 0.603 176.414 175.800 0.018 0.000 1.093 100 F CA -0.593 57.439 58.000 0.053 0.000 1.244 100 F CB 0.124 39.168 39.000 0.074 0.000 1.052 100 F HN -0.009 nan 8.300 nan 0.000 0.573 101 L N -0.019 121.345 121.223 0.234 0.000 2.334 101 L HA 0.419 4.728 4.340 -0.052 0.000 0.275 101 L C -0.198 176.823 176.870 0.252 0.000 1.036 101 L CA -0.843 54.117 54.840 0.200 0.000 0.807 101 L CB 1.000 43.063 42.059 0.007 0.000 1.231 101 L HN -0.200 nan 8.230 nan 0.000 0.438 102 D N 2.436 122.975 120.400 0.231 0.000 2.253 102 D HA 0.222 4.831 4.640 -0.052 0.000 0.249 102 D C -1.454 175.046 176.300 0.332 0.000 1.049 102 D CA -1.559 52.601 54.000 0.268 0.000 0.929 102 D CB 1.864 42.817 40.800 0.256 0.000 1.176 102 D HN 0.214 nan 8.370 nan 0.000 0.437 103 P HA -0.270 nan 4.420 nan 0.000 0.235 103 P C -1.584 175.849 177.300 0.221 0.000 1.116 103 P CA 2.377 65.614 63.100 0.229 0.000 0.991 103 P CB -1.071 30.715 31.700 0.144 0.000 0.764 104 P HA -0.187 nan 4.420 nan 0.000 0.205 104 P C 1.809 179.226 177.300 0.195 0.000 1.193 104 P CA 1.630 64.825 63.100 0.158 0.000 0.929 104 P CB -0.786 30.994 31.700 0.133 0.000 0.772 105 H N -1.205 117.924 119.070 0.097 0.000 2.319 105 H HA -0.217 4.308 4.556 -0.052 0.000 0.297 105 H C 2.105 177.465 175.328 0.054 0.000 1.097 105 H CA 1.830 57.919 56.048 0.068 0.000 1.285 105 H CB -1.085 28.724 29.762 0.079 0.000 1.368 105 H HN 0.201 nan 8.280 nan 0.000 0.495 106 H N -0.413 118.800 119.070 0.238 0.000 2.387 106 H HA -0.112 4.413 4.556 -0.052 0.000 0.299 106 H C 2.091 177.502 175.328 0.138 0.000 1.099 106 H CA 1.817 57.963 56.048 0.164 0.000 1.315 106 H CB -0.202 29.672 29.762 0.187 0.000 1.380 106 H HN 0.396 nan 8.280 nan 0.000 0.513 107 T N -0.009 114.676 114.554 0.218 0.000 2.746 107 T HA -0.120 4.199 4.350 -0.052 0.000 0.267 107 T C 1.795 176.541 174.700 0.076 0.000 1.039 107 T CA 1.672 63.860 62.100 0.147 0.000 1.142 107 T CB 0.042 68.976 68.868 0.110 0.000 0.866 107 T HN 0.509 nan 8.240 nan 0.000 0.444 108 E N 0.138 120.375 120.200 0.063 0.000 2.077 108 E HA -0.080 4.239 4.350 -0.052 0.000 0.193 108 E C 2.094 178.703 176.600 0.015 0.000 0.989 108 E CA 1.010 57.431 56.400 0.035 0.000 0.800 108 E CB -0.192 29.524 29.700 0.027 0.000 0.746 108 E HN 0.297 nan 8.360 nan 0.000 0.452 109 L N 1.080 122.295 121.223 -0.012 0.000 2.072 109 L HA -0.084 4.225 4.340 -0.052 0.000 0.205 109 L C 2.348 179.174 176.870 -0.073 0.000 1.079 109 L CA 1.601 56.407 54.840 -0.056 0.000 0.752 109 L CB -0.385 41.605 42.059 -0.114 0.000 0.906 109 L HN -0.111 nan 8.230 nan 0.000 0.436 110 R N -0.650 119.789 120.500 -0.101 0.000 2.080 110 R HA -0.178 4.131 4.340 -0.052 0.000 0.236 110 R C 2.516 178.843 176.300 0.045 0.000 1.137 110 R CA 2.069 58.175 56.100 0.010 0.000 0.943 110 R CB -1.182 29.205 30.300 0.144 0.000 0.846 110 R HN 0.424 nan 8.270 nan 0.000 0.431 111 S N -0.356 115.370 115.700 0.043 0.000 2.402 111 S HA -0.133 4.306 4.470 -0.052 0.000 0.233 111 S C 1.709 176.329 174.600 0.035 0.000 1.030 111 S CA 1.242 59.466 58.200 0.040 0.000 1.003 111 S CB -0.472 62.748 63.200 0.033 0.000 0.813 111 S HN 0.361 nan 8.310 nan 0.000 0.477 112 L N 2.456 123.695 121.223 0.027 0.000 1.955 112 L HA -0.040 4.269 4.340 -0.052 0.000 0.213 112 L C 1.905 178.799 176.870 0.040 0.000 1.072 112 L CA 2.058 56.913 54.840 0.025 0.000 0.755 112 L CB -0.762 41.308 42.059 0.017 0.000 0.888 112 L HN 0.493 nan 8.230 nan 0.000 0.432 113 L N -3.647 117.618 121.223 0.070 0.000 2.591 113 L HA 0.107 4.416 4.340 -0.052 0.000 0.228 113 L C 2.037 179.030 176.870 0.206 0.000 1.133 113 L CA 0.699 55.617 54.840 0.131 0.000 0.880 113 L CB -2.206 39.981 42.059 0.215 0.000 1.033 113 L HN 0.193 nan 8.230 nan 0.000 0.450 114 T N 1.247 115.888 114.554 0.145 0.000 2.665 114 T HA -0.177 4.142 4.350 -0.052 0.000 0.268 114 T C 1.897 176.675 174.700 0.130 0.000 1.035 114 T CA 2.576 64.765 62.100 0.149 0.000 1.151 114 T CB -0.173 68.748 68.868 0.087 0.000 0.862 114 T HN 0.443 nan 8.240 nan 0.000 0.438 115 T N 1.045 115.637 114.554 0.063 0.000 2.915 115 T HA -0.043 4.276 4.350 -0.052 0.000 0.269 115 T C 1.721 176.403 174.700 -0.030 0.000 1.071 115 T CA 0.870 62.981 62.100 0.019 0.000 1.132 115 T CB -0.170 68.697 68.868 -0.002 0.000 0.878 115 T HN 0.230 nan 8.240 nan 0.000 0.479 116 E N -0.016 120.134 120.200 -0.084 0.000 2.502 116 E HA 0.140 4.459 4.350 -0.052 0.000 0.194 116 E C 0.060 176.316 176.600 -0.574 0.000 1.062 116 E CA 0.191 56.407 56.400 -0.306 0.000 0.867 116 E CB -0.120 29.346 29.700 -0.390 0.000 0.888 116 E HN 0.491 nan 8.360 nan 0.000 0.510 117 F N -0.629 119.309 119.950 -0.019 0.000 2.791 117 F HA 0.220 4.716 4.527 -0.051 0.000 0.316 117 F C 0.511 176.295 175.800 -0.027 0.000 1.134 117 F CA -0.502 57.482 58.000 -0.027 0.000 1.222 117 F CB 0.018 38.998 39.000 -0.033 0.000 1.034 117 F HN -0.161 nan 8.300 nan 0.000 0.516 118 S N 1.200 116.942 115.700 0.070 0.000 2.584 118 S HA 0.148 4.587 4.470 -0.052 0.000 0.270 118 S C -1.278 173.340 174.600 0.030 0.000 1.346 118 S CA -0.912 57.314 58.200 0.043 0.000 1.018 118 S CB 0.826 64.033 63.200 0.011 0.000 0.899 118 S HN 0.041 nan 8.310 nan 0.000 0.542 119 P HA -0.084 nan 4.420 nan 0.000 0.219 119 P C 1.259 178.563 177.300 0.006 0.000 1.146 119 P CA 1.139 64.247 63.100 0.013 0.000 0.808 119 P CB -0.252 31.452 31.700 0.007 0.000 0.779 120 S N 0.626 116.326 115.700 0.000 0.000 2.343 120 S HA -0.110 4.329 4.470 -0.052 0.000 0.219 120 S C 2.060 176.653 174.600 -0.012 0.000 1.033 120 S CA 1.168 59.364 58.200 -0.006 0.000 1.014 120 S CB -0.879 62.315 63.200 -0.011 0.000 0.915 120 S HN 0.042 nan 8.310 nan 0.000 0.435 121 I N 1.834 122.390 120.570 -0.023 0.000 2.163 121 I HA -0.102 4.036 4.170 -0.052 0.000 0.243 121 I C 2.366 178.470 176.117 -0.022 0.000 1.085 121 I CA 1.062 62.338 61.300 -0.041 0.000 1.347 121 I CB -1.829 36.119 38.000 -0.087 0.000 1.044 121 I HN 0.144 nan 8.210 nan 0.000 0.408 122 V N 0.949 120.862 119.914 -0.000 0.000 2.295 122 V HA -0.261 3.828 4.120 -0.052 0.000 0.246 122 V C 2.639 178.740 176.094 0.012 0.000 1.049 122 V CA 2.334 64.645 62.300 0.018 0.000 1.024 122 V CB -1.289 30.556 31.823 0.036 0.000 0.648 122 V HN 0.425 nan 8.190 nan 0.000 0.447 123 T N 0.646 115.205 114.554 0.008 0.000 2.684 123 T HA -0.163 4.156 4.350 -0.052 0.000 0.267 123 T C 1.827 176.530 174.700 0.006 0.000 1.036 123 T CA 1.749 63.853 62.100 0.008 0.000 1.148 123 T CB -0.647 68.225 68.868 0.006 0.000 0.863 123 T HN 0.636 nan 8.240 nan 0.000 0.436 124 G N 0.416 109.216 108.800 -0.000 0.000 2.534 124 G HA2 -0.016 3.913 3.960 -0.052 0.000 0.217 124 G HA3 -0.016 3.913 3.960 -0.052 0.000 0.217 124 G C 1.381 176.281 174.900 -0.001 0.000 1.128 124 G CA 0.166 45.265 45.100 -0.002 0.000 0.784 124 G HN 0.392 nan 8.290 nan 0.000 0.542 125 L N 0.268 121.492 121.223 0.000 0.000 2.375 125 L HA 0.326 4.635 4.340 -0.052 0.000 0.215 125 L C 2.680 179.556 176.870 0.010 0.000 1.108 125 L CA 0.662 55.504 54.840 0.003 0.000 0.830 125 L CB -0.344 41.717 42.059 0.003 0.000 0.959 125 L HN 0.082 nan 8.230 nan 0.000 0.457 126 R N 0.179 120.687 120.500 0.014 0.000 2.113 126 R HA -0.203 4.106 4.340 -0.052 0.000 0.244 126 R C -0.361 175.951 176.300 0.019 0.000 1.142 126 R CA 2.106 58.217 56.100 0.019 0.000 0.953 126 R CB -1.938 28.374 30.300 0.020 0.000 0.860 126 R HN 0.379 nan 8.270 nan 0.000 0.438 127 P HA -0.173 nan 4.420 nan 0.000 0.216 127 P C 0.935 178.244 177.300 0.015 0.000 1.150 127 P CA 1.181 64.290 63.100 0.016 0.000 0.837 127 P CB 0.033 31.741 31.700 0.012 0.000 0.786 128 R N 0.241 120.748 120.500 0.011 0.000 2.090 128 R HA -0.019 4.290 4.340 -0.052 0.000 0.228 128 R C 2.076 178.381 176.300 0.008 0.000 1.110 128 R CA 1.424 57.529 56.100 0.009 0.000 0.973 128 R CB -1.586 28.718 30.300 0.006 0.000 0.869 128 R HN 0.129 nan 8.270 nan 0.000 0.440 129 I N 0.471 121.047 120.570 0.011 0.000 2.226 129 I HA -0.232 3.907 4.170 -0.052 0.000 0.245 129 I C 2.276 178.403 176.117 0.018 0.000 1.100 129 I CA 1.422 62.727 61.300 0.009 0.000 1.374 129 I CB -0.496 37.514 38.000 0.016 0.000 1.057 129 I HN 0.304 nan 8.210 nan 0.000 0.413 130 A N 0.275 123.113 122.820 0.030 0.000 1.930 130 A HA -0.249 4.040 4.320 -0.052 0.000 0.217 130 A C 2.332 179.940 177.584 0.041 0.000 1.175 130 A CA 1.784 53.848 52.037 0.044 0.000 0.627 130 A CB -0.594 18.430 19.000 0.041 0.000 0.815 130 A HN 0.508 nan 8.150 nan 0.000 0.443 131 E N -0.136 120.080 120.200 0.026 0.000 2.110 131 E HA -0.150 4.168 4.350 -0.052 0.000 0.193 131 E C 1.904 178.514 176.600 0.017 0.000 0.988 131 E CA 0.984 57.397 56.400 0.022 0.000 0.804 131 E CB -0.185 29.523 29.700 0.014 0.000 0.745 131 E HN 0.630 nan 8.360 nan 0.000 0.458 132 L N 0.347 121.571 121.223 0.002 0.000 2.056 132 L HA -0.125 4.184 4.340 -0.052 0.000 0.207 132 L C 2.698 179.560 176.870 -0.013 0.000 1.078 132 L CA 1.009 55.834 54.840 -0.025 0.000 0.749 132 L CB -0.452 41.577 42.059 -0.051 0.000 0.901 132 L HN 0.215 nan 8.230 nan 0.000 0.433 133 A N -0.895 121.938 122.820 0.021 0.000 1.908 133 A HA -0.261 4.028 4.320 -0.052 0.000 0.218 133 A C 2.538 180.247 177.584 0.209 0.000 1.181 133 A CA 2.197 54.311 52.037 0.129 0.000 0.627 133 A CB -0.790 18.328 19.000 0.197 0.000 0.818 133 A HN 0.377 nan 8.150 nan 0.000 0.445 134 S N -0.511 115.261 115.700 0.121 0.000 2.356 134 S HA -0.064 4.375 4.470 -0.052 0.000 0.223 134 S C 2.220 176.869 174.600 0.081 0.000 1.032 134 S CA 1.672 59.929 58.200 0.095 0.000 1.005 134 S CB -0.541 62.694 63.200 0.059 0.000 0.867 134 S HN 0.859 nan 8.310 nan 0.000 0.449 135 A N 1.460 124.313 122.820 0.054 0.000 1.908 135 A HA -0.037 4.252 4.320 -0.052 0.000 0.218 135 A C 2.116 179.731 177.584 0.052 0.000 1.181 135 A CA 1.593 53.652 52.037 0.036 0.000 0.627 135 A CB -0.928 18.076 19.000 0.006 0.000 0.818 135 A HN 0.515 nan 8.150 nan 0.000 0.445 136 L N -1.087 120.179 121.223 0.072 0.000 2.012 136 L HA -0.147 4.162 4.340 -0.052 0.000 0.210 136 L C 2.419 179.395 176.870 0.176 0.000 1.073 136 L CA 1.567 56.476 54.840 0.116 0.000 0.748 136 L CB -1.090 41.049 42.059 0.133 0.000 0.891 136 L HN 0.337 nan 8.230 nan 0.000 0.431 137 L N -0.586 120.756 121.223 0.199 0.000 2.046 137 L HA -0.234 4.075 4.340 -0.052 0.000 0.208 137 L C 2.237 179.143 176.870 0.061 0.000 1.077 137 L CA 1.570 56.474 54.840 0.107 0.000 0.747 137 L CB -0.846 41.249 42.059 0.060 0.000 0.896 137 L HN 0.305 nan 8.230 nan 0.000 0.432 138 D N -0.860 119.574 120.400 0.057 0.000 2.133 138 D HA -0.225 4.384 4.640 -0.052 0.000 0.195 138 D C 2.394 178.717 176.300 0.039 0.000 0.997 138 D CA 1.164 55.188 54.000 0.039 0.000 0.840 138 D CB -0.037 40.784 40.800 0.035 0.000 0.947 138 D HN 0.149 nan 8.370 nan 0.000 0.452 139 R N -0.028 120.502 120.500 0.050 0.000 2.066 139 R HA -0.042 4.267 4.340 -0.052 0.000 0.232 139 R C 2.235 178.565 176.300 0.049 0.000 1.131 139 R CA 0.358 56.488 56.100 0.050 0.000 0.955 139 R CB -0.751 29.585 30.300 0.061 0.000 0.851 139 R HN 0.090 nan 8.270 nan 0.000 0.432 140 L N 1.140 122.399 121.223 0.060 0.000 2.079 140 L HA -0.156 4.153 4.340 -0.052 0.000 0.210 140 L C 1.610 178.495 176.870 0.025 0.000 1.081 140 L CA 1.784 56.654 54.840 0.050 0.000 0.752 140 L CB -0.219 41.875 42.059 0.057 0.000 0.896 140 L HN 0.101 nan 8.230 nan 0.000 0.433 141 R N -0.765 119.746 120.500 0.020 0.000 2.316 141 R HA 0.079 4.388 4.340 -0.052 0.000 0.202 141 R C 1.304 177.612 176.300 0.013 0.000 1.029 141 R CA 0.714 56.820 56.100 0.010 0.000 1.018 141 R CB -0.344 29.959 30.300 0.006 0.000 0.888 141 R HN 0.393 nan 8.270 nan 0.000 0.471 142 A N 0.851 123.682 122.820 0.019 0.000 2.532 142 A HA 0.124 4.412 4.320 -0.052 0.000 0.273 142 A C -0.011 177.584 177.584 0.019 0.000 1.342 142 A CA -0.056 51.992 52.037 0.019 0.000 0.929 142 A CB 0.232 19.245 19.000 0.022 0.000 1.051 142 A HN 0.125 nan 8.150 nan 0.000 0.521 143 Q N -0.609 119.202 119.800 0.017 0.000 2.331 143 Q HA 0.385 4.693 4.340 -0.052 0.000 0.272 143 Q C 1.015 177.023 176.000 0.013 0.000 1.062 143 Q CA -0.719 55.094 55.803 0.017 0.000 0.806 143 Q CB 1.747 30.498 28.738 0.022 0.000 1.312 143 Q HN 0.544 nan 8.270 nan 0.000 0.431 144 R N 2.046 122.553 120.500 0.012 0.000 2.097 144 R HA -0.098 4.210 4.340 -0.052 0.000 0.236 144 R C -0.167 176.139 176.300 0.010 0.000 1.135 144 R CA 1.371 57.477 56.100 0.010 0.000 0.934 144 R CB -0.223 30.083 30.300 0.009 0.000 0.846 144 R HN 0.383 nan 8.270 nan 0.000 0.431 145 R N 1.492 122.000 120.500 0.013 0.000 2.443 145 R HA 0.449 4.758 4.340 -0.052 0.000 0.287 145 R C -2.806 173.504 176.300 0.017 0.000 1.425 145 R CA -2.102 54.006 56.100 0.014 0.000 1.300 145 R CB 1.370 31.679 30.300 0.016 0.000 1.129 145 R HN 0.117 nan 8.270 nan 0.000 0.577 146 P HA 0.013 nan 4.420 nan 0.000 0.274 146 P C -0.762 176.551 177.300 0.020 0.000 1.231 146 P CA -0.237 62.876 63.100 0.020 0.000 0.790 146 P CB 0.694 32.405 31.700 0.017 0.000 0.951 147 D N 1.785 122.201 120.400 0.028 0.000 2.373 147 D HA 0.117 4.726 4.640 -0.052 0.000 0.227 147 D C 0.993 177.315 176.300 0.037 0.000 1.091 147 D CA -0.233 53.781 54.000 0.024 0.000 0.840 147 D CB 0.691 41.505 40.800 0.025 0.000 1.060 147 D HN 0.225 nan 8.370 nan 0.000 0.502 148 L N 3.118 124.354 121.223 0.021 0.000 2.275 148 L HA -0.110 4.198 4.340 -0.052 0.000 0.215 148 L C 2.112 179.040 176.870 0.096 0.000 1.119 148 L CA 0.396 55.265 54.840 0.048 0.000 0.790 148 L CB 0.006 42.059 42.059 -0.010 0.000 0.919 148 L HN 0.339 nan 8.230 nan 0.000 0.443 149 V N -0.076 119.861 119.914 0.038 0.000 2.239 149 V HA -0.261 3.828 4.120 -0.052 0.000 0.242 149 V C 2.369 178.497 176.094 0.058 0.000 1.038 149 V CA 1.984 64.300 62.300 0.026 0.000 1.002 149 V CB -0.390 31.412 31.823 -0.035 0.000 0.641 149 V HN 0.452 nan 8.190 nan 0.000 0.449 150 E N 0.421 120.653 120.200 0.052 0.000 2.204 150 E HA -0.126 4.193 4.350 -0.052 0.000 0.194 150 E C 2.020 178.680 176.600 0.099 0.000 0.989 150 E CA 1.198 57.639 56.400 0.068 0.000 0.824 150 E CB -0.288 29.441 29.700 0.048 0.000 0.756 150 E HN 0.572 nan 8.360 nan 0.000 0.477 151 G N -1.329 107.539 108.800 0.114 0.000 2.939 151 G HA2 -0.004 3.925 3.960 -0.052 0.000 0.210 151 G HA3 -0.004 3.925 3.960 -0.052 0.000 0.210 151 G C 0.737 175.776 174.900 0.231 0.000 1.160 151 G CA 0.335 45.523 45.100 0.146 0.000 0.770 151 G HN 0.387 nan 8.290 nan 0.000 0.543 152 F N -0.889 119.080 119.950 0.032 0.000 1.919 152 F HA 0.372 4.867 4.527 -0.053 0.000 0.298 152 F C 2.146 177.964 175.800 0.030 0.000 1.024 152 F CA 0.781 58.796 58.000 0.026 0.000 1.207 152 F CB -0.335 38.673 39.000 0.013 0.000 1.517 152 F HN 0.028 nan 8.300 nan 0.000 0.549 153 A N 1.068 124.024 122.820 0.228 0.000 1.902 153 A HA 0.081 4.370 4.320 -0.052 0.000 0.217 153 A C 2.171 179.747 177.584 -0.012 0.000 1.181 153 A CA 2.275 54.370 52.037 0.096 0.000 0.623 153 A CB -1.405 17.674 19.000 0.130 0.000 0.818 153 A HN 0.597 nan 8.150 nan 0.000 0.443 154 A N -0.081 122.754 122.820 0.025 0.000 1.874 154 A HA 0.056 4.344 4.320 -0.052 0.000 0.214 154 A C 0.352 178.005 177.584 0.114 0.000 1.189 154 A CA 1.352 53.437 52.037 0.080 0.000 0.615 154 A CB -1.201 17.872 19.000 0.121 0.000 0.830 154 A HN 0.496 nan 8.150 nan 0.000 0.443 155 P HA -0.089 nan 4.420 nan 0.000 0.221 155 P C 1.602 178.874 177.300 -0.048 0.000 1.150 155 P CA 0.760 63.918 63.100 0.097 0.000 0.800 155 P CB -0.074 31.710 31.700 0.140 0.000 0.787 156 L N 1.193 122.300 121.223 -0.193 0.000 2.017 156 L HA 0.013 4.322 4.340 -0.052 0.000 0.208 156 L C -0.763 176.039 176.870 -0.113 0.000 1.073 156 L CA 2.599 57.285 54.840 -0.256 0.000 0.745 156 L CB -2.207 39.553 42.059 -0.497 0.000 0.894 156 L HN -0.029 nan 8.230 nan 0.000 0.432 157 P HA -0.139 nan 4.420 nan 0.000 0.216 157 P C 2.059 179.370 177.300 0.018 0.000 1.153 157 P CA 1.262 64.358 63.100 -0.008 0.000 0.848 157 P CB -0.055 31.655 31.700 0.017 0.000 0.787 158 I N -1.040 119.555 120.570 0.042 0.000 2.163 158 I HA -0.205 3.933 4.170 -0.052 0.000 0.243 158 I C 2.285 178.442 176.117 0.067 0.000 1.085 158 I CA 1.697 63.035 61.300 0.063 0.000 1.347 158 I CB -1.392 36.664 38.000 0.094 0.000 1.044 158 I HN -0.013 nan 8.210 nan 0.000 0.408 159 L N -0.290 120.954 121.223 0.034 0.000 2.083 159 L HA -0.179 4.130 4.340 -0.052 0.000 0.209 159 L C 2.586 179.464 176.870 0.012 0.000 1.083 159 L CA 0.740 55.584 54.840 0.007 0.000 0.752 159 L CB -0.549 41.459 42.059 -0.086 0.000 0.899 159 L HN 0.028 nan 8.230 nan 0.000 0.433 160 V N -0.453 119.463 119.914 0.004 0.000 2.323 160 V HA -0.246 3.843 4.120 -0.052 0.000 0.244 160 V C 2.263 178.384 176.094 0.044 0.000 1.041 160 V CA 1.494 63.804 62.300 0.015 0.000 1.025 160 V CB -0.221 31.607 31.823 0.008 0.000 0.656 160 V HN 0.263 nan 8.190 nan 0.000 0.451 161 I N 0.928 121.532 120.570 0.057 0.000 2.493 161 I HA -0.171 3.968 4.170 -0.052 0.000 0.254 161 I C 2.629 178.805 176.117 0.099 0.000 1.160 161 I CA 1.764 63.113 61.300 0.082 0.000 1.445 161 I CB -0.336 37.704 38.000 0.067 0.000 1.086 161 I HN 0.422 nan 8.210 nan 0.000 0.433 162 S N 0.305 116.068 115.700 0.105 0.000 2.428 162 S HA -0.007 4.431 4.470 -0.052 0.000 0.230 162 S C 2.144 176.810 174.600 0.110 0.000 1.014 162 S CA 0.715 58.999 58.200 0.140 0.000 0.957 162 S CB -0.590 62.698 63.200 0.147 0.000 0.784 162 S HN 0.405 nan 8.310 nan 0.000 0.499 163 A N 1.044 123.907 122.820 0.072 0.000 2.067 163 A HA 0.394 4.683 4.320 -0.052 0.000 0.217 163 A C 2.175 179.782 177.584 0.039 0.000 1.156 163 A CA 0.499 52.566 52.037 0.050 0.000 0.683 163 A CB -0.515 18.503 19.000 0.030 0.000 0.808 163 A HN 0.551 nan 8.150 nan 0.000 0.455 164 L N -0.794 120.454 121.223 0.042 0.000 2.270 164 L HA 0.082 4.391 4.340 -0.052 0.000 0.210 164 L C 1.701 178.583 176.870 0.019 0.000 1.104 164 L CA 0.776 55.621 54.840 0.010 0.000 0.804 164 L CB -0.041 42.025 42.059 0.011 0.000 0.937 164 L HN 0.397 nan 8.230 nan 0.000 0.450 165 L N -1.392 119.876 121.223 0.074 0.000 2.616 165 L HA 0.247 4.556 4.340 -0.052 0.000 0.229 165 L C 1.361 178.302 176.870 0.118 0.000 1.110 165 L CA 0.574 55.479 54.840 0.109 0.000 0.884 165 L CB 0.010 42.187 42.059 0.195 0.000 1.115 165 L HN 0.373 nan 8.230 nan 0.000 0.481 166 G N 1.527 110.383 108.800 0.093 0.000 2.143 166 G HA2 -0.269 3.659 3.960 -0.052 0.000 0.248 166 G HA3 -0.269 3.659 3.960 -0.052 0.000 0.248 166 G C 0.337 175.298 174.900 0.102 0.000 0.991 166 G CA 0.213 45.361 45.100 0.079 0.000 0.689 166 G HN 0.358 nan 8.290 nan 0.000 0.522 167 I N 0.384 121.044 120.570 0.150 0.000 2.823 167 I HA 0.383 4.521 4.170 -0.052 0.000 0.290 167 I C -1.271 174.929 176.117 0.139 0.000 1.091 167 I CA -2.355 59.052 61.300 0.178 0.000 1.365 167 I CB 0.270 38.436 38.000 0.277 0.000 1.427 167 I HN -0.073 nan 8.210 nan 0.000 0.583 168 P HA 0.051 nan 4.420 nan 0.000 0.271 168 P C 0.201 177.575 177.300 0.123 0.000 1.220 168 P CA -0.021 63.144 63.100 0.108 0.000 0.768 168 P CB 1.211 32.967 31.700 0.093 0.000 0.848 169 E N 2.268 122.526 120.200 0.096 0.000 2.097 169 E HA -0.250 4.069 4.350 -0.052 0.000 0.196 169 E C 1.003 177.695 176.600 0.153 0.000 1.000 169 E CA 1.546 58.005 56.400 0.098 0.000 0.804 169 E CB 0.074 29.805 29.700 0.052 0.000 0.740 169 E HN 0.467 nan 8.360 nan 0.000 0.454 170 E N 0.758 121.036 120.200 0.130 0.000 2.331 170 E HA -0.162 4.157 4.350 -0.052 0.000 0.199 170 E C 1.026 177.716 176.600 0.150 0.000 1.008 170 E CA 1.039 57.527 56.400 0.147 0.000 0.843 170 E CB -0.024 29.726 29.700 0.083 0.000 0.761 170 E HN 0.292 nan 8.360 nan 0.000 0.507 171 D N -0.033 120.458 120.400 0.152 0.000 2.340 171 D HA -0.073 4.536 4.640 -0.052 0.000 0.220 171 D C 1.577 177.952 176.300 0.124 0.000 1.039 171 D CA 0.332 54.414 54.000 0.138 0.000 0.866 171 D CB -0.222 40.672 40.800 0.156 0.000 0.913 171 D HN 0.487 nan 8.370 nan 0.000 0.523 172 H N 0.578 119.694 119.070 0.077 0.000 2.422 172 H HA -0.080 4.444 4.556 -0.052 0.000 0.298 172 H C 1.074 176.422 175.328 0.033 0.000 1.098 172 H CA 1.489 57.567 56.048 0.049 0.000 1.315 172 H CB -0.311 29.472 29.762 0.035 0.000 1.382 172 H HN -0.073 nan 8.280 nan 0.000 0.523 173 T N 0.121 114.181 114.554 -0.824 0.000 2.812 173 T HA -0.122 4.197 4.350 -0.052 0.000 0.264 173 T C 1.623 176.192 174.700 -0.219 0.000 1.042 173 T CA 1.093 62.838 62.100 -0.591 0.000 1.140 173 T CB -0.513 68.104 68.868 -0.418 0.000 0.870 173 T HN 0.524 nan 8.240 nan 0.000 0.445 174 W N 1.596 122.735 121.300 -0.269 0.000 2.379 174 W HA 0.003 4.632 4.660 -0.051 0.000 0.307 174 W C 1.653 178.011 176.519 -0.267 0.000 1.200 174 W CA 0.367 57.570 57.345 -0.237 0.000 1.297 174 W CB -0.588 28.738 29.460 -0.223 0.000 1.140 174 W HN 0.018 nan 8.180 nan 0.000 0.507 175 L N 1.207 122.293 121.223 -0.229 0.000 2.012 175 L HA -0.211 4.097 4.340 -0.052 0.000 0.210 175 L C 2.699 179.397 176.870 -0.286 0.000 1.073 175 L CA 1.826 56.484 54.840 -0.303 0.000 0.748 175 L CB -1.639 40.406 42.059 -0.023 0.000 0.891 175 L HN 0.008 nan 8.230 nan 0.000 0.431 176 R N -0.394 119.959 120.500 -0.244 0.000 2.073 176 R HA -0.105 4.204 4.340 -0.052 0.000 0.234 176 R C 2.123 178.239 176.300 -0.305 0.000 1.134 176 R CA 1.485 57.420 56.100 -0.275 0.000 0.952 176 R CB -0.554 29.649 30.300 -0.161 0.000 0.850 176 R HN 0.382 nan 8.270 nan 0.000 0.433 177 A N 1.563 124.191 122.820 -0.319 0.000 1.892 177 A HA -0.203 4.086 4.320 -0.052 0.000 0.218 177 A C 1.946 179.309 177.584 -0.368 0.000 1.188 177 A CA 1.804 53.658 52.037 -0.304 0.000 0.631 177 A CB -0.599 18.205 19.000 -0.326 0.000 0.822 177 A HN 0.388 nan 8.150 nan 0.000 0.447 178 N N -0.001 118.337 118.700 -0.603 0.000 2.244 178 N HA -0.070 4.639 4.740 -0.052 0.000 0.183 178 N C 1.924 177.304 175.510 -0.217 0.000 1.016 178 N CA 1.313 53.959 53.050 -0.673 0.000 0.866 178 N CB -0.403 37.163 38.487 -1.536 0.000 0.980 178 N HN 0.488 nan 8.380 nan 0.000 0.430 179 A N 0.833 123.614 122.820 -0.066 0.000 1.902 179 A HA -0.068 4.221 4.320 -0.052 0.000 0.217 179 A C 2.504 180.064 177.584 -0.040 0.000 1.181 179 A CA 1.114 53.156 52.037 0.008 0.000 0.623 179 A CB -0.664 18.119 19.000 -0.362 0.000 0.818 179 A HN 0.093 nan 8.150 nan 0.000 0.443 180 V N -0.146 119.711 119.914 -0.095 0.000 2.343 180 V HA -0.234 3.855 4.120 -0.052 0.000 0.247 180 V C 3.044 179.145 176.094 0.012 0.000 1.051 180 V CA 1.854 64.172 62.300 0.030 0.000 1.036 180 V CB -1.234 30.597 31.823 0.013 0.000 0.654 180 V HN 0.614 nan 8.190 nan 0.000 0.451 181 A N -0.426 122.368 122.820 -0.042 0.000 1.877 181 A HA -0.192 4.096 4.320 -0.052 0.000 0.216 181 A C 2.282 179.885 177.584 0.032 0.000 1.186 181 A CA 1.893 53.911 52.037 -0.031 0.000 0.620 181 A CB -0.637 18.303 19.000 -0.099 0.000 0.822 181 A HN 0.464 nan 8.150 nan 0.000 0.443 182 L N -0.274 120.996 121.223 0.078 0.000 2.081 182 L HA -0.265 4.044 4.340 -0.052 0.000 0.212 182 L C 2.764 179.712 176.870 0.130 0.000 1.080 182 L CA 1.571 56.501 54.840 0.150 0.000 0.754 182 L CB -0.408 41.810 42.059 0.265 0.000 0.893 182 L HN 0.531 nan 8.230 nan 0.000 0.433 183 Q N -0.562 119.298 119.800 0.100 0.000 2.234 183 Q HA -0.280 4.028 4.340 -0.052 0.000 0.206 183 Q C 1.860 177.905 176.000 0.076 0.000 0.980 183 Q CA 1.351 57.201 55.803 0.078 0.000 0.869 183 Q CB -0.194 28.580 28.738 0.060 0.000 0.912 183 Q HN 0.514 nan 8.270 nan 0.000 0.436 184 E N 1.064 121.302 120.200 0.064 0.000 2.130 184 E HA -0.154 4.165 4.350 -0.052 0.000 0.196 184 E C 1.517 178.147 176.600 0.051 0.000 0.998 184 E CA 1.487 57.913 56.400 0.042 0.000 0.806 184 E CB -0.169 29.548 29.700 0.028 0.000 0.738 184 E HN 0.407 nan 8.360 nan 0.000 0.459 185 A N -0.025 122.870 122.820 0.125 0.000 2.278 185 A HA 0.110 4.398 4.320 -0.052 0.000 0.212 185 A C 1.043 178.760 177.584 0.222 0.000 1.213 185 A CA 0.152 52.328 52.037 0.233 0.000 0.840 185 A CB -0.113 19.114 19.000 0.379 0.000 0.866 185 A HN 0.131 nan 8.150 nan 0.000 0.489 186 S N 0.304 116.099 115.700 0.159 0.000 2.549 186 S HA 0.145 4.584 4.470 -0.052 0.000 0.286 186 S C 1.554 176.258 174.600 0.175 0.000 1.314 186 S CA 0.465 58.773 58.200 0.180 0.000 1.062 186 S CB 0.438 63.734 63.200 0.160 0.000 0.865 186 S HN 0.589 nan 8.310 nan 0.000 0.498 187 T N 2.493 117.170 114.554 0.204 0.000 3.072 187 T HA -0.029 4.289 4.350 -0.052 0.000 0.266 187 T C 1.450 176.247 174.700 0.162 0.000 1.127 187 T CA 1.096 63.303 62.100 0.179 0.000 1.107 187 T CB -0.405 68.578 68.868 0.191 0.000 0.910 187 T HN 0.639 nan 8.240 nan 0.000 0.513 188 T N 1.234 115.899 114.554 0.185 0.000 3.100 188 T HA 0.209 4.528 4.350 -0.052 0.000 0.253 188 T C 0.796 175.562 174.700 0.110 0.000 1.118 188 T CA 0.188 62.383 62.100 0.159 0.000 1.058 188 T CB 0.229 69.244 68.868 0.244 0.000 0.953 188 T HN 0.405 nan 8.240 nan 0.000 0.515 189 R N 0.019 120.579 120.500 0.100 0.000 2.930 189 R HA 0.758 5.067 4.340 -0.052 0.000 0.257 189 R C 0.151 176.473 176.300 0.036 0.000 1.107 189 R CA -0.934 55.203 56.100 0.063 0.000 0.999 189 R CB 0.958 31.294 30.300 0.060 0.000 1.209 189 R HN 0.176 nan 8.270 nan 0.000 0.486 195 G N 0.534 109.278 108.800 -0.093 0.000 2.396 195 G HA2 -0.170 3.758 3.960 -0.052 0.000 0.214 195 G HA3 -0.170 3.758 3.960 -0.052 0.000 0.214 195 G C 0.595 175.498 174.900 0.005 0.000 1.166 195 G CA 0.636 45.678 45.100 -0.097 0.000 0.793 195 G HN 0.135 nan 8.290 nan 0.000 0.533 196 Y N 1.516 121.820 120.300 0.007 0.000 2.293 196 Y HA 0.124 4.643 4.550 -0.051 0.000 0.291 196 Y C 3.035 178.935 175.900 0.000 0.000 1.137 196 Y CA -0.050 58.051 58.100 0.002 0.000 1.202 196 Y CB -0.850 37.609 38.460 -0.002 0.000 0.990 196 Y HN 0.265 nan 8.280 nan 0.000 0.537 197 A N 0.696 123.608 122.820 0.153 0.000 1.851 197 A HA -0.221 4.068 4.320 -0.052 0.000 0.216 197 A C 2.421 180.041 177.584 0.059 0.000 1.195 197 A CA 1.871 53.959 52.037 0.084 0.000 0.622 197 A CB -0.618 18.413 19.000 0.052 0.000 0.831 197 A HN 0.374 nan 8.150 nan 0.000 0.444 198 R N -0.536 119.990 120.500 0.044 0.000 2.091 198 R HA -0.108 4.201 4.340 -0.052 0.000 0.238 198 R C 2.464 178.781 176.300 0.027 0.000 1.136 198 R CA 1.270 57.381 56.100 0.019 0.000 0.959 198 R CB -0.589 29.713 30.300 0.004 0.000 0.856 198 R HN 0.527 nan 8.270 nan 0.000 0.437 199 A N 1.383 124.245 122.820 0.070 0.000 1.902 199 A HA -0.228 4.061 4.320 -0.052 0.000 0.217 199 A C 2.098 179.726 177.584 0.072 0.000 1.181 199 A CA 1.678 53.769 52.037 0.089 0.000 0.623 199 A CB -0.355 18.733 19.000 0.146 0.000 0.818 199 A HN 0.309 nan 8.150 nan 0.000 0.443 200 E N 0.317 120.557 120.200 0.067 0.000 2.077 200 E HA -0.060 4.259 4.350 -0.052 0.000 0.193 200 E C 1.984 178.606 176.600 0.037 0.000 0.989 200 E CA 1.627 58.052 56.400 0.041 0.000 0.800 200 E CB -0.462 29.259 29.700 0.035 0.000 0.746 200 E HN 0.456 nan 8.360 nan 0.000 0.452 201 A N 0.980 123.815 122.820 0.025 0.000 1.883 201 A HA -0.097 4.192 4.320 -0.052 0.000 0.217 201 A C 2.496 180.066 177.584 -0.023 0.000 1.186 201 A CA 2.360 54.402 52.037 0.007 0.000 0.624 201 A CB -1.243 17.754 19.000 -0.005 0.000 0.822 201 A HN 0.424 nan 8.150 nan 0.000 0.444 202 A N -0.650 122.135 122.820 -0.058 0.000 1.877 202 A HA -0.082 4.207 4.320 -0.052 0.000 0.216 202 A C 2.455 180.019 177.584 -0.034 0.000 1.186 202 A CA 2.143 54.075 52.037 -0.174 0.000 0.620 202 A CB -1.011 17.902 19.000 -0.144 0.000 0.822 202 A HN 0.465 nan 8.150 nan 0.000 0.443 203 S N -0.241 115.537 115.700 0.130 0.000 2.365 203 S HA -0.253 4.186 4.470 -0.052 0.000 0.225 203 S C 2.118 176.843 174.600 0.209 0.000 1.039 203 S CA 1.773 60.113 58.200 0.233 0.000 1.033 203 S CB -0.385 62.888 63.200 0.123 0.000 0.887 203 S HN 0.704 nan 8.310 nan 0.000 0.447 204 Q N 0.332 120.205 119.800 0.121 0.000 2.119 204 Q HA -0.078 4.230 4.340 -0.052 0.000 0.201 204 Q C 2.201 178.294 176.000 0.155 0.000 0.972 204 Q CA 0.869 56.745 55.803 0.122 0.000 0.847 204 Q CB -0.096 28.689 28.738 0.078 0.000 0.903 204 Q HN 0.499 nan 8.270 nan 0.000 0.433 205 E N 0.045 120.308 120.200 0.105 0.000 2.072 205 E HA -0.140 4.179 4.350 -0.052 0.000 0.191 205 E C 1.779 178.541 176.600 0.270 0.000 0.985 205 E CA 0.886 57.377 56.400 0.151 0.000 0.801 205 E CB -0.068 29.630 29.700 -0.002 0.000 0.750 205 E HN 0.290 nan 8.360 nan 0.000 0.452 206 F N 1.478 121.560 119.950 0.220 0.000 2.113 206 F HA -0.136 4.360 4.527 -0.053 0.000 0.297 206 F C 2.674 178.739 175.800 0.442 0.000 1.103 206 F CA 1.244 59.439 58.000 0.325 0.000 1.248 206 F CB -1.023 38.162 39.000 0.308 0.000 0.999 206 F HN -0.042 nan 8.300 nan 0.000 0.475 207 T N -0.201 114.667 114.554 0.523 0.000 2.635 207 T HA -0.284 4.035 4.350 -0.052 0.000 0.267 207 T C 2.131 177.026 174.700 0.325 0.000 1.040 207 T CA 1.833 64.162 62.100 0.382 0.000 1.156 207 T CB -0.407 68.608 68.868 0.245 0.000 0.863 207 T HN 0.119 nan 8.240 nan 0.000 0.430 208 R N -0.556 120.106 120.500 0.271 0.000 2.091 208 R HA -0.149 4.160 4.340 -0.052 0.000 0.238 208 R C 2.321 178.740 176.300 0.198 0.000 1.136 208 R CA 1.422 57.639 56.100 0.195 0.000 0.959 208 R CB -0.466 29.932 30.300 0.163 0.000 0.856 208 R HN 0.500 nan 8.270 nan 0.000 0.437 209 Y N -0.034 120.364 120.300 0.163 0.000 2.089 209 Y HA -0.228 4.291 4.550 -0.052 0.000 0.282 209 Y C 1.679 177.576 175.900 -0.006 0.000 1.139 209 Y CA 1.970 60.104 58.100 0.056 0.000 1.123 209 Y CB -0.486 38.054 38.460 0.133 0.000 0.980 209 Y HN -0.001 nan 8.280 nan 0.000 0.493 210 F N 0.220 120.343 119.950 0.288 0.000 2.325 210 F HA -0.079 4.417 4.527 -0.052 0.000 0.299 210 F C 2.432 178.264 175.800 0.053 0.000 1.090 210 F CA 1.178 59.265 58.000 0.146 0.000 1.392 210 F CB -0.424 38.726 39.000 0.250 0.000 1.053 210 F HN -0.035 nan 8.300 nan 0.000 0.521 211 R N 0.012 120.652 120.500 0.232 0.000 2.096 211 R HA -0.096 4.213 4.340 -0.052 0.000 0.235 211 R C 2.256 178.591 176.300 0.057 0.000 1.127 211 R CA 0.993 57.175 56.100 0.137 0.000 0.968 211 R CB -0.387 29.983 30.300 0.118 0.000 0.861 211 R HN 0.285 nan 8.270 nan 0.000 0.440 212 R N 0.195 120.692 120.500 -0.004 0.000 2.148 212 R HA -0.055 4.254 4.340 -0.052 0.000 0.223 212 R C 1.971 178.216 176.300 -0.092 0.000 1.088 212 R CA 0.667 56.728 56.100 -0.066 0.000 0.985 212 R CB 0.086 30.311 30.300 -0.124 0.000 0.880 212 R HN 0.192 nan 8.270 nan 0.000 0.451 213 E N 0.350 120.484 120.200 -0.111 0.000 2.046 213 E HA -0.132 4.186 4.350 -0.052 0.000 0.190 213 E C 2.137 178.747 176.600 0.016 0.000 0.982 213 E CA 1.315 57.668 56.400 -0.078 0.000 0.800 213 E CB -0.323 29.343 29.700 -0.058 0.000 0.756 213 E HN 0.199 nan 8.360 nan 0.000 0.449 214 V N 1.479 121.433 119.914 0.067 0.000 2.261 214 V HA -0.192 3.897 4.120 -0.052 0.000 0.246 214 V C 1.250 177.363 176.094 0.031 0.000 1.047 214 V CA 2.221 64.558 62.300 0.062 0.000 1.015 214 V CB -0.511 31.358 31.823 0.077 0.000 0.642 214 V HN -0.039 nan 8.190 nan 0.000 0.446 215 D N -0.242 120.172 120.400 0.023 0.000 2.379 215 D HA 0.111 4.719 4.640 -0.052 0.000 0.243 215 D C 0.979 177.276 176.300 -0.004 0.000 1.088 215 D CA 0.405 54.411 54.000 0.010 0.000 0.925 215 D CB -0.424 40.381 40.800 0.009 0.000 0.888 215 D HN 0.476 nan 8.370 nan 0.000 0.529 225 L N 1.709 122.919 121.223 -0.022 0.000 2.313 225 L HA 0.303 4.612 4.340 -0.052 0.000 0.214 225 L C 1.979 178.839 176.870 -0.017 0.000 1.119 225 L CA 1.038 55.847 54.840 -0.052 0.000 0.809 225 L CB -0.629 41.377 42.059 -0.089 0.000 0.933 225 L HN 0.173 nan 8.230 nan 0.000 0.449 226 L N -1.164 120.069 121.223 0.017 0.000 2.072 226 L HA -0.169 4.140 4.340 -0.052 0.000 0.205 226 L C 2.278 179.162 176.870 0.024 0.000 1.079 226 L CA 1.574 56.436 54.840 0.037 0.000 0.752 226 L CB -0.443 41.666 42.059 0.084 0.000 0.906 226 L HN 0.272 nan 8.230 nan 0.000 0.436 227 T N 0.324 114.888 114.554 0.018 0.000 2.607 227 T HA -0.248 4.070 4.350 -0.052 0.000 0.267 227 T C 1.812 176.513 174.700 0.001 0.000 1.049 227 T CA 1.733 63.839 62.100 0.009 0.000 1.162 227 T CB -0.259 68.611 68.868 0.003 0.000 0.863 227 T HN 0.097 nan 8.240 nan 0.000 0.424 228 L N 0.438 121.655 121.223 -0.009 0.000 2.079 228 L HA -0.016 4.293 4.340 -0.052 0.000 0.210 228 L C 2.370 179.234 176.870 -0.009 0.000 1.081 228 L CA 1.317 56.148 54.840 -0.015 0.000 0.752 228 L CB -0.611 41.429 42.059 -0.031 0.000 0.896 228 L HN 0.263 nan 8.230 nan 0.000 0.433 229 L N -2.042 119.177 121.223 -0.006 0.000 2.156 229 L HA -0.143 4.165 4.340 -0.052 0.000 0.208 229 L C 2.343 179.218 176.870 0.008 0.000 1.095 229 L CA 0.454 55.295 54.840 0.001 0.000 0.770 229 L CB -0.351 41.709 42.059 0.002 0.000 0.914 229 L HN 0.069 nan 8.230 nan 0.000 0.439 230 V N -0.417 119.504 119.914 0.012 0.000 2.346 230 V HA -0.175 3.914 4.120 -0.052 0.000 0.244 230 V C 2.583 178.683 176.094 0.010 0.000 1.037 230 V CA 1.387 63.696 62.300 0.016 0.000 1.029 230 V CB -0.412 31.424 31.823 0.021 0.000 0.663 230 V HN 0.359 nan 8.190 nan 0.000 0.454 231 R N 0.203 120.707 120.500 0.006 0.000 2.083 231 R HA -0.187 4.122 4.340 -0.052 0.000 0.237 231 R C 2.449 178.751 176.300 0.002 0.000 1.137 231 R CA 1.603 57.705 56.100 0.003 0.000 0.951 231 R CB -0.749 29.551 30.300 -0.000 0.000 0.851 231 R HN 0.521 nan 8.270 nan 0.000 0.434 232 A N 1.491 124.312 122.820 0.001 0.000 1.958 232 A HA -0.277 4.011 4.320 -0.052 0.000 0.221 232 A C 2.146 179.732 177.584 0.003 0.000 1.178 232 A CA 1.908 53.945 52.037 0.001 0.000 0.642 232 A CB -0.651 18.350 19.000 0.001 0.000 0.816 232 A HN 0.353 nan 8.150 nan 0.000 0.453 233 R N -0.602 119.901 120.500 0.006 0.000 2.062 233 R HA -0.137 4.171 4.340 -0.052 0.000 0.229 233 R C 1.071 177.375 176.300 0.006 0.000 1.128 233 R CA 1.757 57.861 56.100 0.007 0.000 0.960 233 R CB -0.452 29.855 30.300 0.012 0.000 0.855 233 R HN 0.362 nan 8.270 nan 0.000 0.432 234 D N -0.285 120.119 120.400 0.006 0.000 2.350 234 D HA -0.089 4.520 4.640 -0.052 0.000 0.216 234 D C 1.219 177.521 176.300 0.003 0.000 0.968 234 D CA 1.163 55.166 54.000 0.005 0.000 0.894 234 D CB 0.154 40.956 40.800 0.005 0.000 0.909 234 D HN 0.281 nan 8.370 nan 0.000 0.520 235 T N -1.983 112.572 114.554 0.002 0.000 3.092 235 T HA 0.410 4.729 4.350 -0.052 0.000 0.258 235 T C 1.214 175.914 174.700 0.000 0.000 1.031 235 T CA 0.767 62.867 62.100 0.000 0.000 0.925 235 T CB 0.049 68.917 68.868 -0.001 0.000 1.036 235 T HN 0.236 nan 8.240 nan 0.000 0.544 236 G N 0.599 109.399 108.800 0.001 0.000 2.481 236 G HA2 -0.166 3.763 3.960 -0.052 0.000 0.200 236 G HA3 -0.166 3.763 3.960 -0.052 0.000 0.200 236 G C 0.249 175.149 174.900 0.000 0.000 1.012 236 G CA -0.020 45.081 45.100 0.000 0.000 0.676 236 G HN 0.554 nan 8.290 nan 0.000 0.488 237 S N 3.554 119.254 115.700 0.001 0.000 2.552 237 S HA 0.416 4.855 4.470 -0.052 0.000 0.289 237 S C -1.890 172.710 174.600 0.001 0.000 1.304 237 S CA 0.326 58.527 58.200 0.001 0.000 1.063 237 S CB 1.192 64.393 63.200 0.002 0.000 0.848 237 S HN 0.435 nan 8.310 nan 0.000 0.499 238 P HA 0.300 nan 4.420 nan 0.000 0.232 238 P C -1.225 176.075 177.300 0.000 0.000 1.814 238 P CA -0.192 62.906 63.100 -0.002 0.000 1.085 238 P CB -0.042 31.654 31.700 -0.008 0.000 1.901 239 L N 1.788 123.015 121.223 0.006 0.000 2.381 239 L HA 0.416 4.725 4.340 -0.052 0.000 0.268 239 L C 0.893 177.773 176.870 0.016 0.000 0.997 239 L CA -0.615 54.233 54.840 0.013 0.000 0.818 239 L CB 2.211 44.280 42.059 0.016 0.000 1.310 239 L HN 0.233 nan 8.230 nan 0.000 0.416 240 S N 0.691 116.405 115.700 0.022 0.000 2.687 240 S HA 0.464 4.903 4.470 -0.052 0.000 0.283 240 S C 1.099 175.719 174.600 0.034 0.000 1.170 240 S CA -0.718 57.497 58.200 0.025 0.000 1.008 240 S CB 1.867 65.082 63.200 0.025 0.000 1.026 240 S HN 0.281 nan 8.310 nan 0.000 0.541 241 V N 1.295 121.231 119.914 0.037 0.000 2.490 241 V HA -0.147 3.942 4.120 -0.052 0.000 0.250 241 V C 1.967 178.097 176.094 0.060 0.000 1.061 241 V CA 2.191 64.520 62.300 0.048 0.000 1.064 241 V CB -1.050 30.803 31.823 0.050 0.000 0.670 241 V HN 0.845 nan 8.190 nan 0.000 0.461 242 D N 0.628 121.062 120.400 0.055 0.000 2.144 242 D HA -0.081 4.527 4.640 -0.052 0.000 0.200 242 D C 2.205 178.545 176.300 0.067 0.000 0.978 242 D CA 1.457 55.495 54.000 0.063 0.000 0.833 242 D CB -0.495 40.334 40.800 0.049 0.000 0.961 242 D HN 0.456 nan 8.370 nan 0.000 0.470 243 G N 0.381 109.217 108.800 0.059 0.000 2.394 243 G HA2 -0.153 3.776 3.960 -0.052 0.000 0.215 243 G HA3 -0.153 3.776 3.960 -0.052 0.000 0.215 243 G C 1.721 176.653 174.900 0.053 0.000 1.165 243 G CA 0.169 45.308 45.100 0.065 0.000 0.784 243 G HN 0.250 nan 8.290 nan 0.000 0.535 244 I N 0.386 120.979 120.570 0.039 0.000 2.202 244 I HA -0.142 3.996 4.170 -0.052 0.000 0.242 244 I C 2.765 178.872 176.117 -0.017 0.000 1.091 244 I CA 0.467 61.776 61.300 0.015 0.000 1.368 244 I CB -0.300 37.716 38.000 0.026 0.000 1.058 244 I HN 0.016 nan 8.210 nan 0.000 0.410 245 V N 1.177 121.107 119.914 0.027 0.000 2.261 245 V HA -0.237 3.851 4.120 -0.052 0.000 0.246 245 V C 2.658 178.752 176.094 0.001 0.000 1.047 245 V CA 2.326 64.643 62.300 0.028 0.000 1.015 245 V CB -1.497 30.415 31.823 0.149 0.000 0.642 245 V HN 0.569 nan 8.190 nan 0.000 0.446 246 G N -0.786 108.076 108.800 0.103 0.000 2.469 246 G HA2 -0.276 3.652 3.960 -0.052 0.000 0.220 246 G HA3 -0.276 3.652 3.960 -0.052 0.000 0.220 246 G C 1.682 176.756 174.900 0.290 0.000 1.136 246 G CA 1.669 46.917 45.100 0.247 0.000 0.759 246 G HN 0.475 nan 8.290 nan 0.000 0.562 247 T N 0.195 114.802 114.554 0.088 0.000 2.708 247 T HA -0.173 4.146 4.350 -0.052 0.000 0.266 247 T C 2.496 177.106 174.700 -0.150 0.000 1.037 247 T CA 1.354 63.445 62.100 -0.015 0.000 1.146 247 T CB -0.491 68.365 68.868 -0.020 0.000 0.865 247 T HN 0.376 nan 8.240 nan 0.000 0.435 248 C N 0.988 120.100 119.300 -0.314 0.000 2.425 248 C HA -0.009 4.419 4.460 -0.052 0.000 0.277 248 C C 2.850 177.463 174.990 -0.629 0.000 1.280 248 C CA 0.191 58.826 59.018 -0.639 0.000 1.744 248 C CB -1.159 25.709 27.740 -1.454 0.000 1.989 248 C HN 0.363 nan 8.230 nan 0.000 0.491 249 V N 0.072 119.707 119.914 -0.465 0.000 2.427 249 V HA -0.220 3.869 4.120 -0.052 0.000 0.248 249 V C 2.533 178.395 176.094 -0.386 0.000 1.051 249 V CA 2.155 64.252 62.300 -0.338 0.000 1.048 249 V CB -0.939 30.869 31.823 -0.025 0.000 0.666 249 V HN 0.661 nan 8.190 nan 0.000 0.456 250 H N 0.154 118.833 119.070 -0.651 0.000 2.293 250 H HA -0.097 4.427 4.556 -0.052 0.000 0.300 250 H C 2.276 177.190 175.328 -0.690 0.000 1.082 250 H CA 1.946 57.230 56.048 -1.275 0.000 1.308 250 H CB -0.027 28.770 29.762 -1.609 0.000 1.375 250 H HN 0.325 nan 8.280 nan 0.000 0.495 251 L N 0.372 121.364 121.223 -0.384 0.000 2.079 251 L HA -0.203 4.106 4.340 -0.052 0.000 0.210 251 L C 2.837 179.565 176.870 -0.236 0.000 1.081 251 L CA 0.693 55.381 54.840 -0.253 0.000 0.752 251 L CB -0.354 41.675 42.059 -0.050 0.000 0.896 251 L HN 0.235 nan 8.230 nan 0.000 0.433 252 L N -0.210 120.872 121.223 -0.235 0.000 2.109 252 L HA -0.133 4.176 4.340 -0.052 0.000 0.207 252 L C 2.482 179.238 176.870 -0.191 0.000 1.086 252 L CA 2.193 56.951 54.840 -0.137 0.000 0.760 252 L CB -0.462 41.559 42.059 -0.065 0.000 0.910 252 L HN 0.370 nan 8.230 nan 0.000 0.437 253 T N -4.453 109.905 114.554 -0.327 0.000 3.060 253 T HA 0.286 4.605 4.350 -0.052 0.000 0.249 253 T C 1.736 176.246 174.700 -0.316 0.000 1.079 253 T CA 0.353 62.289 62.100 -0.274 0.000 1.013 253 T CB -0.168 68.536 68.868 -0.272 0.000 0.975 253 T HN 0.242 nan 8.240 nan 0.000 0.518 254 A N 2.119 124.659 122.820 -0.467 0.000 1.858 254 A HA 0.275 4.564 4.320 -0.052 0.000 0.216 254 A C 2.607 180.063 177.584 -0.214 0.000 1.190 254 A CA 1.554 53.309 52.037 -0.470 0.000 0.617 254 A CB -1.546 17.102 19.000 -0.586 0.000 0.827 254 A HN 0.571 nan 8.150 nan 0.000 0.443 255 G N -1.875 106.843 108.800 -0.138 0.000 2.422 255 G HA2 -0.252 3.676 3.960 -0.052 0.000 0.218 255 G HA3 -0.252 3.676 3.960 -0.052 0.000 0.218 255 G C 1.544 176.442 174.900 -0.003 0.000 1.140 255 G CA 1.101 46.172 45.100 -0.049 0.000 0.775 255 G HN 0.757 nan 8.290 nan 0.000 0.545 256 H N 1.681 120.692 119.070 -0.099 0.000 2.456 256 H HA -0.058 4.467 4.556 -0.052 0.000 0.296 256 H C 2.086 177.369 175.328 -0.075 0.000 1.079 256 H CA 1.617 57.619 56.048 -0.076 0.000 1.322 256 H CB 0.208 29.920 29.762 -0.083 0.000 1.388 256 H HN 0.638 nan 8.280 nan 0.000 0.538 257 E N -0.159 119.957 120.200 -0.140 0.000 2.474 257 E HA 0.034 4.353 4.350 -0.052 0.000 0.195 257 E C 1.295 177.936 176.600 0.068 0.000 1.039 257 E CA 0.655 56.947 56.400 -0.180 0.000 0.881 257 E CB 0.405 29.822 29.700 -0.471 0.000 0.970 257 E HN 0.461 nan 8.360 nan 0.000 0.486 258 T N -3.018 111.570 114.554 0.056 0.000 3.409 258 T HA 0.023 4.342 4.350 -0.052 0.000 0.242 258 T C 2.015 176.780 174.700 0.108 0.000 1.000 258 T CA 0.702 62.880 62.100 0.129 0.000 1.180 258 T CB -0.461 68.482 68.868 0.126 0.000 1.210 258 T HN -0.051 nan 8.240 nan 0.000 0.373 259 T N 2.665 117.269 114.554 0.084 0.000 2.720 259 T HA -0.098 4.221 4.350 -0.052 0.000 0.268 259 T C 2.095 176.878 174.700 0.139 0.000 1.037 259 T CA 2.147 64.320 62.100 0.122 0.000 1.144 259 T CB -1.128 67.781 68.868 0.067 0.000 0.864 259 T HN 0.524 nan 8.240 nan 0.000 0.444 260 T N 2.642 117.219 114.554 0.039 0.000 2.665 260 T HA -0.141 4.177 4.350 -0.052 0.000 0.268 260 T C 2.046 176.743 174.700 -0.004 0.000 1.035 260 T CA 1.195 63.289 62.100 -0.009 0.000 1.151 260 T CB -0.413 68.371 68.868 -0.139 0.000 0.862 260 T HN 0.389 nan 8.240 nan 0.000 0.438 261 N N 0.588 119.283 118.700 -0.009 0.000 2.188 261 N HA -0.047 4.662 4.740 -0.052 0.000 0.184 261 N C 1.641 177.162 175.510 0.018 0.000 1.018 261 N CA 0.833 53.867 53.050 -0.026 0.000 0.858 261 N CB -0.492 37.998 38.487 0.005 0.000 0.989 261 N HN 0.401 nan 8.380 nan 0.000 0.426 262 F N 2.094 122.040 119.950 -0.007 0.000 2.102 262 F HA -0.081 4.414 4.527 -0.052 0.000 0.298 262 F C 2.147 177.959 175.800 0.019 0.000 1.105 262 F CA 1.098 59.103 58.000 0.008 0.000 1.239 262 F CB -0.404 38.598 39.000 0.005 0.000 0.991 262 F HN -0.100 nan 8.300 nan 0.000 0.474 263 L N 0.033 121.275 121.223 0.032 0.000 2.046 263 L HA -0.207 4.101 4.340 -0.052 0.000 0.208 263 L C 2.839 179.643 176.870 -0.110 0.000 1.077 263 L CA 1.266 56.102 54.840 -0.006 0.000 0.747 263 L CB -1.225 40.959 42.059 0.209 0.000 0.896 263 L HN 0.293 nan 8.230 nan 0.000 0.432 264 A N 0.049 122.814 122.820 -0.092 0.000 1.873 264 A HA -0.190 4.099 4.320 -0.052 0.000 0.215 264 A C 2.297 179.773 177.584 -0.180 0.000 1.186 264 A CA 1.518 53.477 52.037 -0.131 0.000 0.616 264 A CB -0.316 18.591 19.000 -0.155 0.000 0.823 264 A HN 0.312 nan 8.150 nan 0.000 0.442 265 K N -0.219 120.067 120.400 -0.190 0.000 2.211 265 K HA 0.036 4.324 4.320 -0.052 0.000 0.203 265 K C 2.191 178.688 176.600 -0.173 0.000 1.050 265 K CA 0.838 57.049 56.287 -0.126 0.000 0.945 265 K CB -0.253 32.226 32.500 -0.035 0.000 0.732 265 K HN 0.441 nan 8.250 nan 0.000 0.451 266 A N 1.197 123.804 122.820 -0.355 0.000 1.898 266 A HA -0.104 4.184 4.320 -0.052 0.000 0.216 266 A C 2.358 179.825 177.584 -0.195 0.000 1.181 266 A CA 1.196 52.998 52.037 -0.391 0.000 0.620 266 A CB -0.546 18.073 19.000 -0.635 0.000 0.819 266 A HN 0.056 nan 8.150 nan 0.000 0.442 267 V N 0.139 119.953 119.914 -0.166 0.000 2.427 267 V HA -0.230 3.858 4.120 -0.052 0.000 0.248 267 V C 2.543 178.580 176.094 -0.095 0.000 1.051 267 V CA 1.862 64.091 62.300 -0.118 0.000 1.048 267 V CB -0.639 31.110 31.823 -0.123 0.000 0.666 267 V HN 0.567 nan 8.190 nan 0.000 0.456 268 L N -0.692 120.469 121.223 -0.104 0.000 2.056 268 L HA -0.144 4.165 4.340 -0.052 0.000 0.207 268 L C 2.624 179.520 176.870 0.044 0.000 1.078 268 L CA 1.878 56.680 54.840 -0.064 0.000 0.749 268 L CB -1.089 40.945 42.059 -0.041 0.000 0.901 268 L HN 0.320 nan 8.230 nan 0.000 0.433 269 T N 0.560 115.147 114.554 0.056 0.000 2.652 269 T HA -0.173 4.146 4.350 -0.052 0.000 0.267 269 T C 1.982 176.744 174.700 0.102 0.000 1.039 269 T CA 1.339 63.510 62.100 0.117 0.000 1.153 269 T CB -0.310 68.571 68.868 0.020 0.000 0.863 269 T HN 0.183 nan 8.240 nan 0.000 0.428 270 L N 0.224 121.450 121.223 0.005 0.000 2.131 270 L HA -0.054 4.254 4.340 -0.052 0.000 0.210 270 L C 2.829 179.718 176.870 0.032 0.000 1.092 270 L CA 1.259 56.103 54.840 0.007 0.000 0.759 270 L CB -0.458 41.580 42.059 -0.034 0.000 0.903 270 L HN 0.164 nan 8.230 nan 0.000 0.435 271 R N -0.179 120.339 120.500 0.030 0.000 2.148 271 R HA -0.053 4.255 4.340 -0.052 0.000 0.227 271 R C 2.278 178.596 176.300 0.030 0.000 1.103 271 R CA 1.098 57.222 56.100 0.041 0.000 0.983 271 R CB -0.256 30.092 30.300 0.081 0.000 0.874 271 R HN 0.314 nan 8.270 nan 0.000 0.451 272 A N 0.035 122.872 122.820 0.029 0.000 2.123 272 A HA -0.024 4.265 4.320 -0.052 0.000 0.214 272 A C 0.311 177.693 177.584 -0.337 0.000 1.152 272 A CA 0.629 52.612 52.037 -0.090 0.000 0.728 272 A CB 0.121 19.101 19.000 -0.032 0.000 0.814 272 A HN 0.253 nan 8.150 nan 0.000 0.464 273 H N -0.454 118.591 119.070 -0.043 0.000 2.348 273 H HA 0.242 4.767 4.556 -0.053 0.000 0.232 273 H C 0.374 175.670 175.328 -0.053 0.000 1.419 273 H CA -0.552 55.456 56.048 -0.067 0.000 1.416 273 H CB 0.483 30.162 29.762 -0.139 0.000 1.510 273 H HN 0.227 nan 8.280 nan 0.000 0.507 274 R N 1.011 121.519 120.500 0.014 0.000 2.159 274 R HA -0.116 4.193 4.340 -0.052 0.000 0.237 274 R C 1.474 177.783 176.300 0.016 0.000 1.131 274 R CA 1.115 57.221 56.100 0.011 0.000 0.982 274 R CB -0.103 30.195 30.300 -0.004 0.000 0.868 274 R HN 0.686 nan 8.270 nan 0.000 0.453 275 D N -0.054 120.361 120.400 0.024 0.000 2.117 275 D HA -0.112 4.497 4.640 -0.052 0.000 0.197 275 D C 1.810 178.120 176.300 0.017 0.000 0.987 275 D CA 0.999 55.013 54.000 0.022 0.000 0.829 275 D CB -0.515 40.302 40.800 0.029 0.000 0.961 275 D HN 0.046 nan 8.370 nan 0.000 0.460 276 V N 0.893 120.817 119.914 0.016 0.000 2.379 276 V HA -0.182 3.906 4.120 -0.052 0.000 0.245 276 V C 2.656 178.741 176.094 -0.016 0.000 1.044 276 V CA 1.135 63.426 62.300 -0.015 0.000 1.036 276 V CB -0.659 31.129 31.823 -0.059 0.000 0.664 276 V HN 0.131 nan 8.190 nan 0.000 0.453 277 L N 0.787 122.007 121.223 -0.005 0.000 1.989 277 L HA -0.194 4.114 4.340 -0.052 0.000 0.211 277 L C 2.045 178.911 176.870 -0.006 0.000 1.071 277 L CA 2.203 57.037 54.840 -0.009 0.000 0.749 277 L CB -1.028 41.029 42.059 -0.004 0.000 0.890 277 L HN 0.292 nan 8.230 nan 0.000 0.431 278 D N -0.483 119.916 120.400 -0.001 0.000 2.144 278 D HA -0.158 4.451 4.640 -0.052 0.000 0.199 278 D C 2.143 178.445 176.300 0.003 0.000 0.984 278 D CA 1.203 55.204 54.000 0.001 0.000 0.834 278 D CB -0.075 40.727 40.800 0.003 0.000 0.955 278 D HN 0.492 nan 8.370 nan 0.000 0.465 279 E N 0.230 120.433 120.200 0.005 0.000 2.106 279 E HA -0.095 4.224 4.350 -0.052 0.000 0.192 279 E C 2.378 178.980 176.600 0.005 0.000 0.984 279 E CA 0.235 56.641 56.400 0.009 0.000 0.806 279 E CB -0.108 29.601 29.700 0.015 0.000 0.750 279 E HN 0.338 nan 8.360 nan 0.000 0.458 280 L N 0.580 121.801 121.223 -0.003 0.000 2.093 280 L HA -0.167 4.142 4.340 -0.052 0.000 0.208 280 L C 2.654 179.525 176.870 0.001 0.000 1.085 280 L CA 1.024 55.862 54.840 -0.004 0.000 0.755 280 L CB -0.156 41.897 42.059 -0.010 0.000 0.904 280 L HN 0.068 nan 8.230 nan 0.000 0.435 281 R N -0.696 119.803 120.500 -0.001 0.000 2.081 281 R HA -0.158 4.151 4.340 -0.052 0.000 0.235 281 R C 2.077 178.379 176.300 0.003 0.000 1.131 281 R CA 1.972 58.072 56.100 -0.001 0.000 0.960 281 R CB -0.602 29.696 30.300 -0.004 0.000 0.856 281 R HN 0.468 nan 8.270 nan 0.000 0.436 282 T N -2.985 111.572 114.554 0.006 0.000 3.100 282 T HA 0.047 4.366 4.350 -0.052 0.000 0.253 282 T C 0.648 175.355 174.700 0.012 0.000 1.118 282 T CA 0.374 62.479 62.100 0.008 0.000 1.058 282 T CB 0.386 69.260 68.868 0.009 0.000 0.953 282 T HN -0.050 nan 8.240 nan 0.000 0.515 283 T N 2.878 117.440 114.554 0.012 0.000 3.542 283 T HA 0.354 4.673 4.350 -0.052 0.000 0.276 283 T C -2.295 172.414 174.700 0.015 0.000 1.412 283 T CA -0.938 61.172 62.100 0.016 0.000 1.664 283 T CB 1.405 70.286 68.868 0.021 0.000 0.863 283 T HN -0.000 nan 8.240 nan 0.000 0.661 284 P HA -0.229 nan 4.420 nan 0.000 0.216 284 P C 1.814 179.125 177.300 0.019 0.000 1.154 284 P CA 1.107 64.217 63.100 0.017 0.000 0.865 284 P CB 0.188 31.898 31.700 0.017 0.000 0.789 285 E N 0.097 120.309 120.200 0.019 0.000 2.401 285 E HA -0.146 4.173 4.350 -0.052 0.000 0.199 285 E C 1.397 178.009 176.600 0.019 0.000 1.023 285 E CA 1.686 58.099 56.400 0.021 0.000 0.859 285 E CB -1.029 28.684 29.700 0.022 0.000 0.780 285 E HN 0.365 nan 8.360 nan 0.000 0.523 286 S N 0.045 115.754 115.700 0.015 0.000 2.558 286 S HA -0.002 4.436 4.470 -0.052 0.000 0.217 286 S C 1.735 176.335 174.600 0.000 0.000 0.975 286 S CA 0.568 58.770 58.200 0.003 0.000 0.912 286 S CB -0.246 62.951 63.200 -0.006 0.000 0.776 286 S HN 0.205 nan 8.310 nan 0.000 0.526 287 T N 3.735 118.298 114.554 0.014 0.000 2.653 287 T HA -0.079 4.240 4.350 -0.052 0.000 0.268 287 T C -0.647 174.072 174.700 0.032 0.000 1.035 287 T CA 1.904 64.020 62.100 0.027 0.000 1.154 287 T CB -1.790 67.101 68.868 0.039 0.000 0.862 287 T HN 0.421 nan 8.240 nan 0.000 0.441 288 P HA -0.043 nan 4.420 nan 0.000 0.215 288 P C 1.596 178.910 177.300 0.022 0.000 1.157 288 P CA 1.462 64.579 63.100 0.030 0.000 0.874 288 P CB -0.247 31.469 31.700 0.028 0.000 0.790 289 A N -0.422 122.400 122.820 0.004 0.000 1.969 289 A HA -0.036 4.253 4.320 -0.052 0.000 0.218 289 A C 2.276 179.842 177.584 -0.030 0.000 1.169 289 A CA 1.813 53.839 52.037 -0.018 0.000 0.635 289 A CB -1.511 17.458 19.000 -0.052 0.000 0.810 289 A HN 0.184 nan 8.150 nan 0.000 0.445 290 A N -0.470 122.336 122.820 -0.024 0.000 1.873 290 A HA -0.002 4.287 4.320 -0.052 0.000 0.215 290 A C 2.196 179.807 177.584 0.045 0.000 1.186 290 A CA 1.712 53.737 52.037 -0.020 0.000 0.616 290 A CB -0.941 18.052 19.000 -0.012 0.000 0.823 290 A HN 0.365 nan 8.150 nan 0.000 0.442 291 V N 0.190 120.158 119.914 0.088 0.000 2.392 291 V HA -0.273 3.816 4.120 -0.052 0.000 0.249 291 V C 2.598 178.749 176.094 0.095 0.000 1.059 291 V CA 2.516 64.914 62.300 0.164 0.000 1.051 291 V CB -0.700 31.170 31.823 0.079 0.000 0.658 291 V HN 0.793 nan 8.190 nan 0.000 0.455 292 E N 0.667 120.892 120.200 0.041 0.000 2.051 292 E HA -0.271 4.047 4.350 -0.052 0.000 0.192 292 E C 2.092 178.702 176.600 0.016 0.000 0.991 292 E CA 1.838 58.253 56.400 0.025 0.000 0.799 292 E CB -0.253 29.466 29.700 0.033 0.000 0.748 292 E HN 0.599 nan 8.360 nan 0.000 0.449 293 E N 0.011 120.213 120.200 0.003 0.000 2.152 293 E HA -0.065 4.254 4.350 -0.052 0.000 0.192 293 E C 1.962 178.561 176.600 -0.001 0.000 0.983 293 E CA 0.985 57.365 56.400 -0.032 0.000 0.818 293 E CB -0.295 29.356 29.700 -0.081 0.000 0.758 293 E HN 0.420 nan 8.360 nan 0.000 0.467 294 L N -0.242 121.019 121.223 0.062 0.000 2.093 294 L HA -0.117 4.191 4.340 -0.052 0.000 0.208 294 L C 2.488 179.508 176.870 0.250 0.000 1.085 294 L CA 0.777 55.685 54.840 0.114 0.000 0.755 294 L CB -0.372 41.765 42.059 0.129 0.000 0.904 294 L HN 0.271 nan 8.230 nan 0.000 0.435 295 M N -0.672 119.105 119.600 0.294 0.000 2.099 295 M HA -0.204 4.245 4.480 -0.052 0.000 0.262 295 M C 2.418 178.725 176.300 0.011 0.000 1.067 295 M CA 1.589 56.984 55.300 0.158 0.000 1.124 295 M CB -0.977 31.558 32.600 -0.110 0.000 1.353 295 M HN 0.245 nan 8.290 nan 0.000 0.410 296 R N -0.741 119.733 120.500 -0.044 0.000 2.073 296 R HA -0.218 4.090 4.340 -0.052 0.000 0.234 296 R C 2.266 178.468 176.300 -0.164 0.000 1.134 296 R CA 1.667 57.667 56.100 -0.166 0.000 0.952 296 R CB -0.606 29.524 30.300 -0.285 0.000 0.850 296 R HN 0.282 nan 8.270 nan 0.000 0.433 297 Y N 0.505 120.667 120.300 -0.230 0.000 2.128 297 Y HA -0.180 4.340 4.550 -0.050 0.000 0.284 297 Y C 0.291 176.017 175.900 -0.290 0.000 1.154 297 Y CA 1.944 59.876 58.100 -0.279 0.000 1.149 297 Y CB 0.227 38.540 38.460 -0.244 0.000 0.976 297 Y HN 0.062 nan 8.280 nan 0.000 0.505 298 D N 0.262 120.648 120.400 -0.023 0.000 2.472 298 D HA 0.216 4.825 4.640 -0.052 0.000 0.248 298 D C -3.004 173.390 176.300 0.157 0.000 1.271 298 D CA -1.945 52.090 54.000 0.058 0.000 0.888 298 D CB 0.965 41.850 40.800 0.142 0.000 1.337 298 D HN 0.012 nan 8.370 nan 0.000 0.526 299 P HA 0.224 nan 4.420 nan 0.000 0.275 299 P C -2.141 175.231 177.300 0.120 0.000 1.228 299 P CA -1.099 62.053 63.100 0.085 0.000 0.786 299 P CB 1.401 33.087 31.700 -0.023 0.000 0.927 300 P HA -0.095 nan 4.420 nan 0.000 0.215 300 P C 0.212 177.535 177.300 0.038 0.000 1.157 300 P CA 1.157 64.325 63.100 0.114 0.000 0.863 300 P CB 0.068 31.843 31.700 0.124 0.000 0.787 301 V N 1.865 121.736 119.914 -0.072 0.000 2.364 301 V HA 0.097 4.186 4.120 -0.052 0.000 0.272 301 V C 1.239 177.217 176.094 -0.194 0.000 1.036 301 V CA -0.016 62.141 62.300 -0.237 0.000 0.880 301 V CB 1.135 32.779 31.823 -0.297 0.000 0.991 301 V HN 0.044 nan 8.190 nan 0.000 0.460 302 Q N 3.065 122.739 119.800 -0.211 0.000 2.424 302 Q HA 0.379 4.687 4.340 -0.052 0.000 0.204 302 Q C 0.495 176.354 176.000 -0.234 0.000 0.933 302 Q CA 0.522 56.207 55.803 -0.195 0.000 0.929 302 Q CB 1.175 29.792 28.738 -0.201 0.000 1.037 302 Q HN 0.869 nan 8.270 nan 0.000 0.511 303 A N 0.060 122.733 122.820 -0.246 0.000 2.597 303 A HA 0.578 4.866 4.320 -0.052 0.000 0.292 303 A C -1.262 176.200 177.584 -0.205 0.000 1.057 303 A CA -0.575 51.332 52.037 -0.216 0.000 0.674 303 A CB 1.283 20.178 19.000 -0.175 0.000 1.278 303 A HN 0.037 nan 8.150 nan 0.000 0.416 304 V N -0.922 118.891 119.914 -0.169 0.000 2.760 304 V HA 0.940 5.029 4.120 -0.052 0.000 0.309 304 V C -0.187 175.828 176.094 -0.131 0.000 1.077 304 V CA 0.150 62.367 62.300 -0.137 0.000 0.910 304 V CB 1.268 33.016 31.823 -0.124 0.000 1.008 304 V HN 1.791 nan 8.190 nan 0.000 0.424 305 T N 2.229 116.720 114.554 -0.105 0.000 2.929 305 T HA 0.877 5.196 4.350 -0.052 0.000 0.284 305 T C -0.340 174.264 174.700 -0.159 0.000 1.014 305 T CA -0.798 61.203 62.100 -0.165 0.000 1.051 305 T CB 1.964 70.732 68.868 -0.167 0.000 1.028 305 T HN 0.904 nan 8.240 nan 0.000 0.485 306 R N 0.609 120.936 120.500 -0.289 0.000 2.855 306 R HA 0.524 4.832 4.340 -0.052 0.000 0.266 306 R C -1.779 174.269 176.300 -0.421 0.000 1.034 306 R CA -0.753 55.218 56.100 -0.214 0.000 0.944 306 R CB 1.538 31.732 30.300 -0.175 0.000 1.219 306 R HN 0.829 nan 8.270 nan 0.000 0.474 307 W N -0.230 121.021 121.300 -0.081 0.000 2.839 307 W HA 0.620 5.250 4.660 -0.051 0.000 0.334 307 W C -0.268 176.191 176.519 -0.100 0.000 1.064 307 W CA -0.698 56.642 57.345 -0.008 0.000 1.236 307 W CB 1.893 31.433 29.460 0.133 0.000 1.405 307 W HN 0.681 nan 8.180 nan 0.000 0.478 308 A N 2.756 125.686 122.820 0.182 0.000 2.404 308 A HA 0.251 4.539 4.320 -0.052 0.000 0.273 308 A C -0.314 177.455 177.584 0.308 0.000 1.144 308 A CA -0.042 52.054 52.037 0.099 0.000 0.806 308 A CB 0.109 19.144 19.000 0.057 0.000 1.080 308 A HN 0.715 nan 8.150 nan 0.000 0.509 309 Y N 0.618 120.970 120.300 0.087 0.000 2.490 309 Y HA 0.229 4.748 4.550 -0.052 0.000 0.281 309 Y C 0.610 176.537 175.900 0.045 0.000 1.174 309 Y CA 0.010 58.151 58.100 0.069 0.000 1.295 309 Y CB 0.120 38.615 38.460 0.059 0.000 1.062 309 Y HN 0.588 nan 8.280 nan 0.000 0.522 310 E N -0.696 119.614 120.200 0.183 0.000 2.401 310 E HA 0.145 4.463 4.350 -0.052 0.000 0.280 310 E C -1.459 175.175 176.600 0.055 0.000 1.039 310 E CA -0.864 55.597 56.400 0.101 0.000 0.814 310 E CB 1.293 31.042 29.700 0.081 0.000 1.275 310 E HN -0.021 nan 8.360 nan 0.000 0.448 311 D N 0.969 121.390 120.400 0.035 0.000 2.506 311 D HA 0.180 4.789 4.640 -0.052 0.000 0.234 311 D C 0.048 176.338 176.300 -0.018 0.000 1.143 311 D CA 0.578 54.582 54.000 0.006 0.000 0.871 311 D CB 0.492 41.297 40.800 0.007 0.000 1.190 311 D HN 0.105 nan 8.370 nan 0.000 0.459 312 I N 1.154 121.691 120.570 -0.055 0.000 2.894 312 I HA 0.345 4.484 4.170 -0.052 0.000 0.302 312 I C -0.171 175.891 176.117 -0.092 0.000 1.188 312 I CA -0.723 60.534 61.300 -0.072 0.000 1.014 312 I CB 1.963 39.906 38.000 -0.096 0.000 1.242 312 I HN 0.253 nan 8.210 nan 0.000 0.430 313 R N 3.806 124.265 120.500 -0.068 0.000 2.514 313 R HA 0.831 5.139 4.340 -0.052 0.000 0.301 313 R C -1.409 174.856 176.300 -0.058 0.000 0.962 313 R CA -0.886 55.181 56.100 -0.056 0.000 0.882 313 R CB 2.751 33.034 30.300 -0.028 0.000 1.143 313 R HN 0.503 nan 8.270 nan 0.000 0.452 314 L N 1.084 122.278 121.223 -0.048 0.000 2.549 314 L HA 0.382 4.691 4.340 -0.052 0.000 0.259 314 L C 0.471 177.336 176.870 -0.008 0.000 0.934 314 L CA 0.117 54.928 54.840 -0.049 0.000 0.865 314 L CB 2.050 44.047 42.059 -0.102 0.000 1.352 314 L HN 0.869 nan 8.230 nan 0.000 0.410 315 G N 2.743 111.543 108.800 -0.001 0.000 2.596 315 G HA2 -0.300 3.629 3.960 -0.052 0.000 0.304 315 G HA3 -0.300 3.629 3.960 -0.052 0.000 0.304 315 G C 0.256 175.204 174.900 0.080 0.000 1.189 315 G CA 0.565 45.681 45.100 0.028 0.000 0.986 315 G HN 0.681 nan 8.290 nan 0.000 0.548 316 D N 1.206 121.719 120.400 0.189 0.000 2.440 316 D HA 0.180 4.789 4.640 -0.052 0.000 0.216 316 D C 0.303 176.707 176.300 0.173 0.000 1.150 316 D CA 0.077 54.169 54.000 0.154 0.000 0.832 316 D CB 0.020 40.895 40.800 0.124 0.000 0.992 316 D HN 0.560 nan 8.370 nan 0.000 0.502 317 H N 0.917 119.979 119.070 -0.013 0.000 2.473 317 H HA 0.210 4.734 4.556 -0.054 0.000 0.327 317 H C -0.525 174.745 175.328 -0.098 0.000 1.105 317 H CA -0.448 55.585 56.048 -0.026 0.000 1.280 317 H CB 1.702 31.463 29.762 -0.002 0.000 1.450 317 H HN -0.047 nan 8.280 nan 0.000 0.492 318 D N 4.281 124.676 120.400 -0.009 0.000 2.467 318 D HA 0.175 4.784 4.640 -0.052 0.000 0.220 318 D C -0.409 175.826 176.300 -0.108 0.000 1.103 318 D CA -0.458 53.512 54.000 -0.050 0.000 0.886 318 D CB 0.174 40.957 40.800 -0.027 0.000 1.025 318 D HN 0.370 nan 8.370 nan 0.000 0.514 319 I N 5.816 126.247 120.570 -0.232 0.000 2.322 319 I HA 0.222 4.361 4.170 -0.052 0.000 0.292 319 I C -1.721 174.315 176.117 -0.135 0.000 1.060 319 I CA -1.995 59.074 61.300 -0.385 0.000 1.309 319 I CB 1.003 38.655 38.000 -0.581 0.000 1.415 319 I HN 0.333 nan 8.210 nan 0.000 0.492 320 P HA -0.021 nan 4.420 nan 0.000 0.269 320 P C -0.530 176.812 177.300 0.070 0.000 1.215 320 P CA -0.452 62.677 63.100 0.048 0.000 0.780 320 P CB 0.635 32.394 31.700 0.098 0.000 0.898 321 R N 1.457 122.003 120.500 0.078 0.000 2.399 321 R HA 0.272 4.581 4.340 -0.052 0.000 0.324 321 R C 1.011 177.403 176.300 0.153 0.000 1.030 321 R CA 1.132 57.300 56.100 0.112 0.000 0.984 321 R CB -1.089 29.270 30.300 0.099 0.000 0.961 321 R HN 0.870 nan 8.270 nan 0.000 0.433 322 G N 2.365 111.298 108.800 0.221 0.000 2.421 322 G HA2 -0.259 3.670 3.960 -0.052 0.000 0.188 322 G HA3 -0.259 3.670 3.960 -0.052 0.000 0.188 322 G C -0.116 175.026 174.900 0.403 0.000 1.001 322 G CA -0.016 45.255 45.100 0.285 0.000 0.693 322 G HN 0.730 nan 8.290 nan 0.000 0.479 323 S N 0.335 116.209 115.700 0.290 0.000 2.573 323 S HA 0.511 4.950 4.470 -0.052 0.000 0.277 323 S C 0.302 174.977 174.600 0.126 0.000 1.346 323 S CA 0.102 58.459 58.200 0.262 0.000 1.034 323 S CB 1.773 65.150 63.200 0.296 0.000 0.879 323 S HN 0.678 nan 8.310 nan 0.000 0.528 324 R N 0.905 121.295 120.500 -0.184 0.000 2.265 324 R HA 0.522 4.831 4.340 -0.052 0.000 0.319 324 R C -1.497 174.511 176.300 -0.487 0.000 1.006 324 R CA -0.580 55.019 56.100 -0.835 0.000 0.880 324 R CB 0.651 30.153 30.300 -1.331 0.000 1.077 324 R HN 0.616 nan 8.270 nan 0.000 0.454 325 V N 5.222 124.847 119.914 -0.482 0.000 2.384 325 V HA 0.342 4.431 4.120 -0.052 0.000 0.287 325 V C -0.342 175.537 176.094 -0.359 0.000 1.020 325 V CA -0.841 61.264 62.300 -0.325 0.000 0.850 325 V CB 1.651 33.337 31.823 -0.228 0.000 0.987 325 V HN 0.481 nan 8.190 nan 0.000 0.436 326 V N 4.192 123.890 119.914 -0.359 0.000 2.384 326 V HA 0.666 4.755 4.120 -0.052 0.000 0.287 326 V C 0.529 176.486 176.094 -0.228 0.000 1.020 326 V CA -0.492 61.647 62.300 -0.269 0.000 0.850 326 V CB 1.719 33.428 31.823 -0.191 0.000 0.987 326 V HN 0.998 nan 8.190 nan 0.000 0.436 327 A N 6.741 129.434 122.820 -0.211 0.000 2.310 327 A HA 0.673 4.961 4.320 -0.052 0.000 0.300 327 A C -0.284 177.147 177.584 -0.255 0.000 1.269 327 A CA -0.324 51.581 52.037 -0.221 0.000 0.909 327 A CB -0.048 18.844 19.000 -0.181 0.000 1.144 327 A HN 0.844 nan 8.150 nan 0.000 0.540 328 L N 4.795 125.808 121.223 -0.349 0.000 2.302 328 L HA 0.168 4.477 4.340 -0.052 0.000 0.285 328 L C 0.964 177.627 176.870 -0.344 0.000 1.090 328 L CA -0.301 54.280 54.840 -0.431 0.000 0.866 328 L CB 0.379 42.000 42.059 -0.730 0.000 1.244 328 L HN 0.802 nan 8.230 nan 0.000 0.435 329 L N 2.141 123.210 121.223 -0.258 0.000 2.083 329 L HA -0.094 4.214 4.340 -0.052 0.000 0.209 329 L C 2.441 179.230 176.870 -0.136 0.000 1.083 329 L CA 1.421 56.159 54.840 -0.170 0.000 0.752 329 L CB -0.618 41.352 42.059 -0.148 0.000 0.899 329 L HN 0.791 nan 8.230 nan 0.000 0.433 330 G N -0.984 107.702 108.800 -0.190 0.000 2.422 330 G HA2 -0.246 3.682 3.960 -0.052 0.000 0.218 330 G HA3 -0.246 3.682 3.960 -0.052 0.000 0.218 330 G C 1.824 176.705 174.900 -0.032 0.000 1.140 330 G CA 0.953 46.042 45.100 -0.017 0.000 0.775 330 G HN 0.336 nan 8.290 nan 0.000 0.545 331 S N 0.483 115.921 115.700 -0.436 0.000 2.387 331 S HA 0.140 4.578 4.470 -0.052 0.000 0.226 331 S C 2.726 177.344 174.600 0.031 0.000 1.026 331 S CA 1.426 59.470 58.200 -0.260 0.000 0.972 331 S CB -0.377 62.551 63.200 -0.454 0.000 0.814 331 S HN 0.493 nan 8.310 nan 0.000 0.477 332 A N 2.035 124.861 122.820 0.009 0.000 1.877 332 A HA -0.086 4.202 4.320 -0.052 0.000 0.216 332 A C 1.924 179.730 177.584 0.369 0.000 1.186 332 A CA 1.824 53.973 52.037 0.187 0.000 0.620 332 A CB -0.990 18.059 19.000 0.083 0.000 0.822 332 A HN 0.577 nan 8.150 nan 0.000 0.443 333 N N -0.331 118.481 118.700 0.186 0.000 2.443 333 N HA -0.066 4.642 4.740 -0.052 0.000 0.184 333 N C 0.899 176.302 175.510 -0.179 0.000 1.037 333 N CA 0.699 53.736 53.050 -0.021 0.000 0.896 333 N CB -0.076 38.330 38.487 -0.135 0.000 0.959 333 N HN 0.385 nan 8.380 nan 0.000 0.442 334 R N 0.061 120.597 120.500 0.060 0.000 2.613 334 R HA 0.135 4.444 4.340 -0.052 0.000 0.361 334 R C -0.592 175.830 176.300 0.204 0.000 1.072 334 R CA -0.295 55.844 56.100 0.065 0.000 1.089 334 R CB 0.020 30.351 30.300 0.052 0.000 1.343 334 R HN 0.051 nan 8.270 nan 0.000 0.571 335 D N 2.928 123.517 120.400 0.315 0.000 2.336 335 D HA 0.078 4.687 4.640 -0.052 0.000 0.249 335 D C -1.183 175.247 176.300 0.217 0.000 1.213 335 D CA -2.244 51.914 54.000 0.263 0.000 0.870 335 D CB 1.465 42.438 40.800 0.287 0.000 1.076 335 D HN -0.026 nan 8.370 nan 0.000 0.483 336 P HA -0.154 nan 4.420 nan 0.000 0.223 336 P C 0.848 178.169 177.300 0.036 0.000 1.144 336 P CA 0.654 63.814 63.100 0.100 0.000 0.783 336 P CB 0.234 31.984 31.700 0.083 0.000 0.771 337 A N -0.280 122.553 122.820 0.022 0.000 2.066 337 A HA -0.081 4.208 4.320 -0.052 0.000 0.218 337 A C 2.381 179.881 177.584 -0.140 0.000 1.157 337 A CA 1.325 53.346 52.037 -0.027 0.000 0.670 337 A CB -0.675 18.332 19.000 0.012 0.000 0.804 337 A HN 0.108 nan 8.150 nan 0.000 0.453 338 R N -1.990 118.348 120.500 -0.270 0.000 2.225 338 R HA 0.280 4.589 4.340 -0.052 0.000 0.194 338 R C -0.952 174.844 176.300 -0.841 0.000 0.949 338 R CA 0.416 56.093 56.100 -0.706 0.000 1.088 338 R CB 0.081 29.588 30.300 -1.321 0.000 1.106 338 R HN 0.253 nan 8.270 nan 0.000 0.566 339 F N 2.180 122.049 119.950 -0.135 0.000 2.359 339 F HA 0.505 5.000 4.527 -0.053 0.000 0.369 339 F C -2.169 173.611 175.800 -0.034 0.000 1.084 339 F CA -3.071 54.880 58.000 -0.082 0.000 1.096 339 F CB 1.592 40.552 39.000 -0.067 0.000 1.335 339 F HN -0.141 nan 8.300 nan 0.000 0.457 340 P HA 0.036 nan 4.420 nan 0.000 0.265 340 P C -0.419 176.937 177.300 0.094 0.000 1.193 340 P CA 0.392 63.535 63.100 0.070 0.000 0.765 340 P CB 0.407 32.129 31.700 0.037 0.000 0.823 341 D N 2.803 123.251 120.400 0.081 0.000 2.737 341 D HA -0.130 4.478 4.640 -0.052 0.000 0.238 341 D C -1.177 175.181 176.300 0.096 0.000 1.157 341 D CA 0.281 54.328 54.000 0.080 0.000 0.694 341 D CB -0.725 40.116 40.800 0.068 0.000 1.021 341 D HN 0.382 nan 8.370 nan 0.000 0.420 342 P HA -0.168 nan 4.420 nan 0.000 0.218 342 P C 0.760 178.096 177.300 0.059 0.000 1.146 342 P CA 1.072 64.225 63.100 0.089 0.000 0.813 342 P CB 0.365 32.127 31.700 0.104 0.000 0.778 343 D N -0.594 119.861 120.400 0.092 0.000 2.340 343 D HA 0.059 4.668 4.640 -0.052 0.000 0.220 343 D C 0.475 176.937 176.300 0.271 0.000 1.039 343 D CA 0.150 54.244 54.000 0.157 0.000 0.866 343 D CB 0.202 41.075 40.800 0.122 0.000 0.913 343 D HN 0.084 nan 8.370 nan 0.000 0.523 344 V N 1.839 121.844 119.914 0.151 0.000 2.498 344 V HA 0.091 4.180 4.120 -0.052 0.000 0.279 344 V C 0.189 176.247 176.094 -0.060 0.000 1.048 344 V CA -0.802 61.541 62.300 0.072 0.000 0.967 344 V CB 1.770 33.628 31.823 0.058 0.000 0.988 344 V HN -0.023 nan 8.190 nan 0.000 0.473 345 L N 5.208 126.233 121.223 -0.329 0.000 2.385 345 L HA 0.410 4.719 4.340 -0.052 0.000 0.285 345 L C -0.205 176.513 176.870 -0.253 0.000 1.125 345 L CA 0.384 54.905 54.840 -0.531 0.000 0.890 345 L CB 0.211 41.630 42.059 -1.066 0.000 1.251 345 L HN 0.684 nan 8.230 nan 0.000 0.445 346 D N 3.056 123.371 120.400 -0.142 0.000 2.464 346 D HA 0.110 4.719 4.640 -0.052 0.000 0.243 346 D C 1.030 177.275 176.300 -0.092 0.000 1.104 346 D CA -0.346 53.616 54.000 -0.063 0.000 0.883 346 D CB 1.294 42.102 40.800 0.012 0.000 1.050 346 D HN 0.323 nan 8.370 nan 0.000 0.524 347 V N 2.213 122.017 119.914 -0.183 0.000 3.383 347 V HA -0.040 4.048 4.120 -0.052 0.000 0.272 347 V C 0.934 176.806 176.094 -0.370 0.000 1.181 347 V CA 1.076 63.211 62.300 -0.275 0.000 1.171 347 V CB -0.769 30.848 31.823 -0.344 0.000 0.800 347 V HN 0.524 nan 8.190 nan 0.000 0.515 348 H N 0.501 119.572 119.070 0.002 0.000 2.529 348 H HA 0.362 4.887 4.556 -0.052 0.000 0.277 348 H C 0.912 176.255 175.328 0.024 0.000 1.004 348 H CA -0.213 55.843 56.048 0.012 0.000 1.167 348 H CB 0.208 29.975 29.762 0.009 0.000 1.445 348 H HN 0.531 nan 8.280 nan 0.000 0.554 349 R N 0.722 121.275 120.500 0.087 0.000 2.738 349 R HA 0.341 4.650 4.340 -0.052 0.000 0.268 349 R C 0.397 176.749 176.300 0.087 0.000 1.062 349 R CA -0.175 55.983 56.100 0.097 0.000 1.158 349 R CB 0.644 31.012 30.300 0.113 0.000 1.046 349 R HN 0.080 nan 8.270 nan 0.000 0.493 350 A N 1.510 124.382 122.820 0.086 0.000 2.440 350 A HA 0.426 4.715 4.320 -0.052 0.000 0.251 350 A C 0.271 177.908 177.584 0.089 0.000 1.089 350 A CA -0.121 51.960 52.037 0.072 0.000 0.779 350 A CB 0.373 19.403 19.000 0.050 0.000 1.022 350 A HN 0.794 nan 8.150 nan 0.000 0.492 351 A N 1.556 124.422 122.820 0.077 0.000 2.280 351 A HA 0.567 4.855 4.320 -0.052 0.000 0.268 351 A C 0.723 178.369 177.584 0.103 0.000 1.111 351 A CA 0.131 52.221 52.037 0.088 0.000 0.814 351 A CB -0.063 18.979 19.000 0.070 0.000 1.093 351 A HN 1.147 nan 8.150 nan 0.000 0.498 352 E N -1.528 118.746 120.200 0.123 0.000 2.694 352 E HA -0.160 4.159 4.350 -0.052 0.000 0.272 352 E C 0.497 177.201 176.600 0.173 0.000 1.040 352 E CA 0.829 57.312 56.400 0.139 0.000 0.809 352 E CB -0.901 28.856 29.700 0.095 0.000 1.389 352 E HN 0.653 nan 8.360 nan 0.000 0.413 353 R N -0.699 119.936 120.500 0.225 0.000 2.243 353 R HA 0.054 4.363 4.340 -0.052 0.000 0.193 353 R C 0.864 177.453 176.300 0.481 0.000 0.933 353 R CA 0.914 57.196 56.100 0.303 0.000 1.105 353 R CB -0.342 30.084 30.300 0.210 0.000 1.169 353 R HN 0.374 nan 8.270 nan 0.000 0.599 354 Q N 1.632 121.677 119.800 0.408 0.000 2.349 354 Q HA 0.092 4.401 4.340 -0.052 0.000 0.287 354 Q C 0.692 176.837 176.000 0.241 0.000 1.044 354 Q CA 0.206 56.199 55.803 0.317 0.000 0.918 354 Q CB 0.595 29.357 28.738 0.040 0.000 1.242 354 Q HN 0.066 nan 8.270 nan 0.000 0.405 355 V N 0.171 120.203 119.914 0.197 0.000 3.170 355 V HA 0.394 4.482 4.120 -0.052 0.000 0.354 355 V C 1.138 177.217 176.094 -0.025 0.000 1.350 355 V CA 0.363 62.715 62.300 0.086 0.000 1.244 355 V CB -0.416 31.416 31.823 0.015 0.000 1.222 355 V HN 0.883 nan 8.190 nan 0.000 0.478 356 G N 0.293 109.030 108.800 -0.104 0.000 2.470 356 G HA2 -0.128 3.801 3.960 -0.052 0.000 0.220 356 G HA3 -0.128 3.801 3.960 -0.052 0.000 0.220 356 G C 0.800 175.509 174.900 -0.318 0.000 1.121 356 G CA 0.748 45.698 45.100 -0.250 0.000 0.766 356 G HN 0.578 nan 8.290 nan 0.000 0.553 357 F N 1.043 120.884 119.950 -0.182 0.000 2.639 357 F HA 0.438 4.935 4.527 -0.051 0.000 0.302 357 F C 1.548 177.058 175.800 -0.484 0.000 1.097 357 F CA -0.282 57.477 58.000 -0.401 0.000 1.294 357 F CB 0.268 38.893 39.000 -0.626 0.000 1.027 357 F HN 0.350 nan 8.300 nan 0.000 0.550 358 G N 0.890 109.642 108.800 -0.081 0.000 2.615 358 G HA2 -0.132 3.797 3.960 -0.052 0.000 0.218 358 G HA3 -0.132 3.797 3.960 -0.052 0.000 0.218 358 G C -1.306 173.655 174.900 0.102 0.000 1.339 358 G CA -0.340 44.736 45.100 -0.040 0.000 0.884 358 G HN 0.439 nan 8.290 nan 0.000 0.559 359 L N -0.566 120.741 121.223 0.141 0.000 2.666 359 L HA 0.664 4.973 4.340 -0.052 0.000 0.259 359 L C 0.477 177.417 176.870 0.116 0.000 0.919 359 L CA 1.012 55.967 54.840 0.192 0.000 0.927 359 L CB 1.316 43.417 42.059 0.070 0.000 1.423 359 L HN 3.028 nan 8.230 nan 0.000 0.426 360 G N 3.220 112.085 108.800 0.108 0.000 2.416 360 G HA2 -0.174 3.755 3.960 -0.052 0.000 0.203 360 G HA3 -0.174 3.755 3.960 -0.052 0.000 0.203 360 G C 0.497 175.394 174.900 -0.005 0.000 1.227 360 G CA -0.000 45.110 45.100 0.016 0.000 1.041 360 G HN 1.518 nan 8.290 nan 0.000 0.546 361 I N -2.379 118.117 120.570 -0.124 0.000 2.361 361 I HA 0.049 4.188 4.170 -0.052 0.000 0.251 361 I C 1.788 177.777 176.117 -0.214 0.000 1.133 361 I CA 2.234 63.404 61.300 -0.216 0.000 1.413 361 I CB -0.335 37.432 38.000 -0.388 0.000 1.073 361 I HN 0.487 nan 8.210 nan 0.000 0.424 362 H N -0.784 118.273 119.070 -0.021 0.000 2.519 362 H HA 0.185 4.709 4.556 -0.052 0.000 0.289 362 H C -0.323 175.008 175.328 0.005 0.000 1.040 362 H CA -0.660 55.351 56.048 -0.063 0.000 1.165 362 H CB -0.083 29.595 29.762 -0.139 0.000 1.462 362 H HN 0.360 nan 8.280 nan 0.000 0.555 363 Y N 1.399 121.719 120.300 0.033 0.000 2.810 363 Y HA -0.141 4.378 4.550 -0.052 0.000 0.332 363 Y C 0.594 176.491 175.900 -0.004 0.000 1.243 363 Y CA -0.855 57.257 58.100 0.021 0.000 1.537 363 Y CB 0.079 38.538 38.460 -0.002 0.000 1.265 363 Y HN 0.334 nan 8.280 nan 0.000 0.572 364 C N 8.547 127.555 119.300 -0.487 0.000 2.155 364 C HA -0.120 4.309 4.460 -0.052 0.000 0.396 364 C C 1.743 176.602 174.990 -0.218 0.000 1.545 364 C CA 0.078 58.893 59.018 -0.338 0.000 1.442 364 C CB -1.751 25.735 27.740 -0.423 0.000 2.553 364 C HN 1.066 nan 8.230 nan 0.000 0.598 365 L N 6.024 127.153 121.223 -0.157 0.000 2.109 365 L HA 0.229 4.538 4.340 -0.052 0.000 0.207 365 L C 2.146 178.821 176.870 -0.325 0.000 1.086 365 L CA 2.394 57.136 54.840 -0.163 0.000 0.760 365 L CB -0.573 41.381 42.059 -0.174 0.000 0.910 365 L HN 0.867 nan 8.230 nan 0.000 0.437 366 G N -1.822 106.719 108.800 -0.431 0.000 3.233 366 G HA2 0.204 4.133 3.960 -0.052 0.000 0.227 366 G HA3 0.204 4.133 3.960 -0.052 0.000 0.227 366 G C 1.469 176.144 174.900 -0.375 0.000 1.175 366 G CA 0.397 45.219 45.100 -0.463 0.000 0.781 366 G HN 0.547 nan 8.290 nan 0.000 0.542 367 A N 0.720 123.217 122.820 -0.540 0.000 1.971 367 A HA -0.158 4.131 4.320 -0.052 0.000 0.222 367 A C 2.490 179.737 177.584 -0.560 0.000 1.182 367 A CA 2.622 54.033 52.037 -1.043 0.000 0.649 367 A CB -0.773 17.563 19.000 -1.107 0.000 0.818 367 A HN 0.298 nan 8.150 nan 0.000 0.458 368 T N -0.426 113.978 114.554 -0.250 0.000 2.770 368 T HA -0.080 4.239 4.350 -0.052 0.000 0.263 368 T C 1.838 176.508 174.700 -0.050 0.000 1.039 368 T CA 1.364 63.406 62.100 -0.098 0.000 1.142 368 T CB -0.336 68.522 68.868 -0.015 0.000 0.868 368 T HN 0.349 nan 8.240 nan 0.000 0.435 369 L N 1.546 122.754 121.223 -0.025 0.000 2.046 369 L HA 0.129 4.438 4.340 -0.052 0.000 0.208 369 L C 2.579 179.443 176.870 -0.010 0.000 1.077 369 L CA 1.813 56.668 54.840 0.026 0.000 0.747 369 L CB -1.036 41.083 42.059 0.100 0.000 0.896 369 L HN 0.212 nan 8.230 nan 0.000 0.432 370 A N -0.360 122.427 122.820 -0.055 0.000 1.902 370 A HA -0.248 4.041 4.320 -0.052 0.000 0.217 370 A C 2.552 180.135 177.584 -0.001 0.000 1.181 370 A CA 1.787 53.818 52.037 -0.011 0.000 0.623 370 A CB -0.676 18.354 19.000 0.050 0.000 0.818 370 A HN 0.507 nan 8.150 nan 0.000 0.443 371 R N -0.460 120.044 120.500 0.007 0.000 2.081 371 R HA -0.115 4.194 4.340 -0.052 0.000 0.235 371 R C 2.269 178.569 176.300 -0.000 0.000 1.131 371 R CA 1.434 57.541 56.100 0.011 0.000 0.960 371 R CB -0.366 29.960 30.300 0.043 0.000 0.856 371 R HN 0.460 nan 8.270 nan 0.000 0.436 372 A N 0.764 123.590 122.820 0.009 0.000 1.898 372 A HA -0.149 4.140 4.320 -0.052 0.000 0.216 372 A C 1.868 179.472 177.584 0.034 0.000 1.181 372 A CA 1.422 53.473 52.037 0.023 0.000 0.620 372 A CB -0.349 18.665 19.000 0.024 0.000 0.819 372 A HN 0.464 nan 8.150 nan 0.000 0.442 373 E N -0.268 119.949 120.200 0.028 0.000 2.106 373 E HA -0.081 4.237 4.350 -0.052 0.000 0.192 373 E C 2.300 178.948 176.600 0.080 0.000 0.984 373 E CA 0.787 57.212 56.400 0.040 0.000 0.806 373 E CB -0.237 29.478 29.700 0.024 0.000 0.750 373 E HN 0.625 nan 8.360 nan 0.000 0.458 374 A N 1.652 124.504 122.820 0.054 0.000 1.855 374 A HA -0.235 4.054 4.320 -0.052 0.000 0.215 374 A C 1.949 179.635 177.584 0.170 0.000 1.191 374 A CA 1.472 53.574 52.037 0.109 0.000 0.613 374 A CB -0.420 18.447 19.000 -0.222 0.000 0.829 374 A HN 0.150 nan 8.150 nan 0.000 0.442 375 E N -0.258 119.998 120.200 0.094 0.000 2.051 375 E HA -0.159 4.160 4.350 -0.052 0.000 0.192 375 E C 1.940 178.603 176.600 0.105 0.000 0.991 375 E CA 1.374 57.832 56.400 0.097 0.000 0.799 375 E CB -0.344 29.393 29.700 0.060 0.000 0.748 375 E HN 0.682 nan 8.360 nan 0.000 0.449 376 I N 0.981 121.609 120.570 0.096 0.000 2.315 376 I HA -0.155 3.984 4.170 -0.052 0.000 0.248 376 I C 2.528 178.738 176.117 0.155 0.000 1.117 376 I CA 1.154 62.514 61.300 0.101 0.000 1.404 376 I CB -0.421 37.625 38.000 0.077 0.000 1.071 376 I HN 0.155 nan 8.210 nan 0.000 0.419 377 G N 0.765 109.687 108.800 0.204 0.000 2.403 377 G HA2 -0.195 3.734 3.960 -0.052 0.000 0.216 377 G HA3 -0.195 3.734 3.960 -0.052 0.000 0.216 377 G C 1.628 176.726 174.900 0.330 0.000 1.154 377 G CA 0.255 45.582 45.100 0.379 0.000 0.784 377 G HN 0.219 nan 8.290 nan 0.000 0.538 378 L N 0.592 121.950 121.223 0.225 0.000 2.056 378 L HA 0.136 4.444 4.340 -0.052 0.000 0.207 378 L C 2.689 179.600 176.870 0.068 0.000 1.078 378 L CA 1.780 56.700 54.840 0.134 0.000 0.749 378 L CB -0.431 41.721 42.059 0.155 0.000 0.901 378 L HN 0.160 nan 8.230 nan 0.000 0.433 379 R N 0.319 120.869 120.500 0.082 0.000 2.081 379 R HA -0.064 4.245 4.340 -0.052 0.000 0.235 379 R C 2.117 178.438 176.300 0.035 0.000 1.131 379 R CA 1.738 57.868 56.100 0.050 0.000 0.960 379 R CB -1.094 29.240 30.300 0.056 0.000 0.856 379 R HN 0.482 nan 8.270 nan 0.000 0.436 380 A N 0.575 123.436 122.820 0.067 0.000 1.883 380 A HA -0.120 4.169 4.320 -0.052 0.000 0.217 380 A C 2.350 179.897 177.584 -0.063 0.000 1.186 380 A CA 1.634 53.702 52.037 0.050 0.000 0.624 380 A CB -0.693 18.412 19.000 0.174 0.000 0.822 380 A HN 0.357 nan 8.150 nan 0.000 0.444 381 L N -0.722 120.409 121.223 -0.153 0.000 2.017 381 L HA -0.203 4.106 4.340 -0.052 0.000 0.208 381 L C 2.644 179.435 176.870 -0.132 0.000 1.073 381 L CA 1.244 55.929 54.840 -0.259 0.000 0.745 381 L CB -0.614 41.258 42.059 -0.312 0.000 0.894 381 L HN 0.395 nan 8.230 nan 0.000 0.432 382 L N -0.482 120.698 121.223 -0.072 0.000 2.012 382 L HA -0.247 4.062 4.340 -0.052 0.000 0.210 382 L C 2.213 179.062 176.870 -0.035 0.000 1.073 382 L CA 1.287 56.101 54.840 -0.044 0.000 0.748 382 L CB -0.650 41.397 42.059 -0.020 0.000 0.891 382 L HN 0.297 nan 8.230 nan 0.000 0.431 383 D N -0.279 120.106 120.400 -0.025 0.000 2.183 383 D HA -0.081 4.528 4.640 -0.052 0.000 0.203 383 D C 2.106 178.391 176.300 -0.024 0.000 0.969 383 D CA 1.357 55.348 54.000 -0.015 0.000 0.842 383 D CB -0.148 40.651 40.800 -0.001 0.000 0.957 383 D HN 0.354 nan 8.370 nan 0.000 0.484 384 G N 0.078 108.853 108.800 -0.042 0.000 2.494 384 G HA2 0.056 3.984 3.960 -0.052 0.000 0.216 384 G HA3 0.056 3.984 3.960 -0.052 0.000 0.216 384 G C 0.830 175.696 174.900 -0.056 0.000 1.140 384 G CA -0.059 45.013 45.100 -0.047 0.000 0.801 384 G HN 0.223 nan 8.290 nan 0.000 0.536 385 I N 1.175 121.701 120.570 -0.072 0.000 2.621 385 I HA 0.232 4.371 4.170 -0.052 0.000 0.276 385 I C -1.915 174.175 176.117 -0.045 0.000 1.118 385 I CA -1.762 59.500 61.300 -0.063 0.000 1.159 385 I CB 2.342 40.289 38.000 -0.090 0.000 1.357 385 I HN -0.107 nan 8.210 nan 0.000 0.513 386 P HA -0.216 nan 4.420 nan 0.000 0.217 386 P C 1.235 178.524 177.300 -0.019 0.000 1.151 386 P CA 1.138 64.226 63.100 -0.021 0.000 0.849 386 P CB 0.336 32.027 31.700 -0.015 0.000 0.787 387 A N -1.704 121.104 122.820 -0.019 0.000 2.359 387 A HA 0.099 4.388 4.320 -0.052 0.000 0.240 387 A C 1.692 179.267 177.584 -0.015 0.000 1.306 387 A CA -0.158 51.870 52.037 -0.014 0.000 0.898 387 A CB -1.395 17.599 19.000 -0.010 0.000 0.956 387 A HN 0.095 nan 8.150 nan 0.000 0.497 388 L N -0.182 121.025 121.223 -0.026 0.000 2.043 388 L HA -0.124 4.184 4.340 -0.052 0.000 0.212 388 L C 2.141 179.006 176.870 -0.009 0.000 1.075 388 L CA 2.437 57.259 54.840 -0.030 0.000 0.752 388 L CB -0.349 41.680 42.059 -0.051 0.000 0.891 388 L HN 0.349 nan 8.230 nan 0.000 0.432 389 G N -1.030 107.766 108.800 -0.006 0.000 2.985 389 G HA2 0.068 3.997 3.960 -0.052 0.000 0.209 389 G HA3 0.068 3.997 3.960 -0.052 0.000 0.209 389 G C 0.692 175.598 174.900 0.010 0.000 1.165 389 G CA -0.302 44.801 45.100 0.005 0.000 0.776 389 G HN 0.279 nan 8.290 nan 0.000 0.541 390 R N -0.879 119.624 120.500 0.006 0.000 2.797 390 R HA 0.621 4.930 4.340 -0.052 0.000 0.251 390 R C 0.745 177.049 176.300 0.006 0.000 1.107 390 R CA -0.081 56.020 56.100 0.003 0.000 1.084 390 R CB 0.876 31.174 30.300 -0.003 0.000 1.205 390 R HN 0.222 nan 8.270 nan 0.000 0.515 391 G N -0.080 108.718 108.800 -0.003 0.000 2.804 391 G HA2 -0.093 3.836 3.960 -0.052 0.000 0.230 391 G HA3 -0.093 3.836 3.960 -0.052 0.000 0.230 391 G C -0.728 174.161 174.900 -0.018 0.000 1.386 391 G CA -0.259 44.836 45.100 -0.008 0.000 0.875 391 G HN 0.789 nan 8.290 nan 0.000 0.557 392 A N 0.239 123.038 122.820 -0.034 0.000 2.269 392 A HA 0.945 5.233 4.320 -0.052 0.000 0.327 392 A C 0.204 177.766 177.584 -0.036 0.000 1.112 392 A CA 0.459 52.439 52.037 -0.096 0.000 0.865 392 A CB 0.924 19.860 19.000 -0.108 0.000 1.227 392 A HN 1.941 nan 8.150 nan 0.000 0.498 393 H N -0.878 118.194 119.070 0.003 0.000 2.894 393 H HA 0.694 5.219 4.556 -0.053 0.000 0.368 393 H C -1.202 174.132 175.328 0.011 0.000 1.181 393 H CA -0.570 55.480 56.048 0.004 0.000 1.146 393 H CB 1.770 31.534 29.762 0.003 0.000 1.839 393 H HN 0.685 nan 8.280 nan 0.000 0.557 394 E N 1.957 122.300 120.200 0.239 0.000 2.185 394 E HA 0.481 4.800 4.350 -0.052 0.000 0.261 394 E C -1.804 174.892 176.600 0.160 0.000 0.879 394 E CA -0.921 55.580 56.400 0.168 0.000 0.756 394 E CB 2.215 31.963 29.700 0.081 0.000 1.152 394 E HN 0.391 nan 8.360 nan 0.000 0.416 395 V N 3.050 123.078 119.914 0.191 0.000 2.735 395 V HA 0.558 4.646 4.120 -0.052 0.000 0.310 395 V C -1.446 174.714 176.094 0.110 0.000 1.061 395 V CA -0.531 61.825 62.300 0.093 0.000 0.913 395 V CB 1.936 33.795 31.823 0.060 0.000 1.005 395 V HN 0.915 nan 8.190 nan 0.000 0.428 396 E N 4.202 124.426 120.200 0.040 0.000 2.260 396 E HA 0.487 4.805 4.350 -0.052 0.000 0.266 396 E C -2.034 174.577 176.600 0.019 0.000 0.887 396 E CA -0.485 55.962 56.400 0.079 0.000 0.777 396 E CB 1.515 31.239 29.700 0.040 0.000 1.205 396 E HN 0.642 nan 8.360 nan 0.000 0.414 397 Y N 1.781 122.064 120.300 -0.029 0.000 2.354 397 Y HA 0.572 5.093 4.550 -0.048 0.000 0.322 397 Y C 0.653 176.525 175.900 -0.045 0.000 1.253 397 Y CA -0.264 57.795 58.100 -0.067 0.000 1.272 397 Y CB 1.605 40.020 38.460 -0.075 0.000 1.255 397 Y HN 0.647 nan 8.280 nan 0.000 0.500 398 A N 1.430 124.283 122.820 0.054 0.000 2.340 398 A HA 0.242 4.531 4.320 -0.052 0.000 0.268 398 A C -0.492 177.143 177.584 0.085 0.000 1.100 398 A CA -0.715 51.348 52.037 0.043 0.000 0.803 398 A CB -0.005 18.999 19.000 0.005 0.000 1.043 398 A HN 0.705 nan 8.150 nan 0.000 0.488 399 D N 1.990 122.431 120.400 0.068 0.000 2.551 399 D HA 0.226 4.835 4.640 -0.052 0.000 0.223 399 D C -0.858 175.474 176.300 0.053 0.000 1.144 399 D CA 0.918 54.957 54.000 0.066 0.000 1.025 399 D CB 0.220 41.054 40.800 0.057 0.000 1.085 399 D HN 0.464 nan 8.370 nan 0.000 0.506 400 D N 1.789 122.221 120.400 0.053 0.000 2.891 400 D HA 0.085 4.694 4.640 -0.052 0.000 0.224 400 D C 0.191 176.493 176.300 0.004 0.000 1.321 400 D CA -0.422 53.606 54.000 0.048 0.000 0.929 400 D CB 1.316 42.180 40.800 0.106 0.000 1.551 400 D HN -0.114 nan 8.370 nan 0.000 0.574 401 M N 3.163 122.673 119.600 -0.150 0.000 2.419 401 M HA 0.129 4.578 4.480 -0.052 0.000 0.252 401 M C 0.845 176.999 176.300 -0.244 0.000 1.143 401 M CA 0.091 55.182 55.300 -0.349 0.000 0.985 401 M CB 0.552 32.647 32.600 -0.842 0.000 1.489 401 M HN 0.264 nan 8.290 nan 0.000 0.484 402 V N -1.492 118.348 119.914 -0.123 0.000 2.870 402 V HA 0.138 4.227 4.120 -0.052 0.000 0.232 402 V C 0.191 176.104 176.094 -0.303 0.000 1.161 402 V CA 0.526 62.692 62.300 -0.223 0.000 1.204 402 V CB 0.053 31.750 31.823 -0.210 0.000 1.003 402 V HN 0.122 nan 8.190 nan 0.000 0.499 403 F N 2.215 122.178 119.950 0.022 0.000 2.384 403 F HA 0.367 4.863 4.527 -0.052 0.000 0.359 403 F C 0.447 176.276 175.800 0.048 0.000 1.143 403 F CA -0.294 57.721 58.000 0.025 0.000 1.216 403 F CB -0.269 38.736 39.000 0.009 0.000 1.512 403 F HN 0.165 nan 8.300 nan 0.000 0.573 404 H N 2.344 121.445 119.070 0.051 0.000 2.604 404 H HA 0.645 5.169 4.556 -0.052 0.000 0.306 404 H C 0.050 175.434 175.328 0.093 0.000 1.075 404 H CA 0.109 56.195 56.048 0.064 0.000 1.357 404 H CB 0.873 30.641 29.762 0.010 0.000 1.426 404 H HN 0.755 nan 8.280 nan 0.000 0.470 405 G N 4.856 113.408 108.800 -0.414 0.000 2.328 405 G HA2 0.109 4.037 3.960 -0.052 0.000 0.295 405 G HA3 0.109 4.037 3.960 -0.052 0.000 0.295 405 G C -3.374 171.098 174.900 -0.713 0.000 1.413 405 G CA -1.110 43.688 45.100 -0.504 0.000 0.817 405 G HN 0.339 nan 8.290 nan 0.000 0.546 406 P HA 0.200 nan 4.420 nan 0.000 0.271 406 P C 1.095 178.187 177.300 -0.346 0.000 1.216 406 P CA 0.087 62.744 63.100 -0.738 0.000 0.771 406 P CB 1.014 32.346 31.700 -0.613 0.000 0.864 407 T N 0.475 114.895 114.554 -0.223 0.000 3.067 407 T HA 0.040 4.359 4.350 -0.052 0.000 0.261 407 T C 0.577 175.222 174.700 -0.092 0.000 1.110 407 T CA 0.151 62.178 62.100 -0.121 0.000 1.113 407 T CB -0.156 68.676 68.868 -0.061 0.000 0.917 407 T HN 0.573 nan 8.240 nan 0.000 0.499 408 R N -0.647 119.788 120.500 -0.108 0.000 2.604 408 R HA 0.608 4.917 4.340 -0.052 0.000 0.261 408 R C -2.505 173.745 176.300 -0.082 0.000 1.080 408 R CA -1.096 54.964 56.100 -0.068 0.000 0.917 408 R CB 0.952 31.235 30.300 -0.029 0.000 1.252 408 R HN 0.129 nan 8.270 nan 0.000 0.456 409 L N 3.915 125.100 121.223 -0.064 0.000 2.485 409 L HA 0.396 4.705 4.340 -0.052 0.000 0.260 409 L C -1.613 175.244 176.870 -0.022 0.000 0.998 409 L CA -0.703 54.096 54.840 -0.069 0.000 0.883 409 L CB 1.721 43.706 42.059 -0.125 0.000 1.196 409 L HN 0.595 nan 8.230 nan 0.000 0.443 410 L N 4.373 125.604 121.223 0.014 0.000 2.326 410 L HA 0.424 4.733 4.340 -0.052 0.000 0.278 410 L C -0.322 176.580 176.870 0.054 0.000 1.092 410 L CA -0.282 54.576 54.840 0.031 0.000 0.810 410 L CB 1.355 43.436 42.059 0.036 0.000 1.153 410 L HN 0.498 nan 8.230 nan 0.000 0.439 411 L N 2.855 124.100 121.223 0.036 0.000 2.341 411 L HA 0.381 4.690 4.340 -0.052 0.000 0.278 411 L C -0.291 176.597 176.870 0.030 0.000 1.005 411 L CA -0.343 54.522 54.840 0.042 0.000 0.818 411 L CB 1.524 43.591 42.059 0.013 0.000 1.259 411 L HN 0.416 nan 8.230 nan 0.000 0.418 412 D N 4.377 124.797 120.400 0.034 0.000 2.344 412 D HA 0.377 4.986 4.640 -0.052 0.000 0.253 412 D C -0.701 175.605 176.300 0.010 0.000 1.255 412 D CA 0.515 54.525 54.000 0.017 0.000 0.894 412 D CB 0.171 40.977 40.800 0.010 0.000 1.067 412 D HN 0.333 nan 8.370 nan 0.000 0.492 413 L N 3.115 124.341 121.223 0.006 0.000 2.283 413 L HA 0.539 4.848 4.340 -0.052 0.000 0.259 413 L C -1.450 175.421 176.870 0.001 0.000 1.027 413 L CA -1.985 52.855 54.840 0.001 0.000 0.828 413 L CB 0.828 42.885 42.059 -0.002 0.000 1.380 413 L HN 0.238 nan 8.230 nan 0.000 0.425 414 P HA 0.000 nan 4.420 nan 0.000 0.216 414 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 414 P CB 0.000 31.698 31.700 -0.003 0.000 0.726