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_D DATA FIRST_RESID 5 DATA SEQUENCE TLPRFDLMGW DKKDIADPYP VYRRYREAAP VHRTASGPGK PDTYYVFTYD DATA SEQUENCE DVVRVLSNRR LGRNARVXXX XXXXXXXXXX XXXRALRTVV ENWLVFLDPP DATA SEQUENCE HHTELRSLLT TEFSPSIVTG LRPRIAELAS ALLDRLRAQR RPDLVEGFAA DATA SEQUENCE PLPILVISAL LGIPEEDHTW LRANAVALQE ASTTRAXXXR GYARAEAASQ DATA SEQUENCE EFTRYFRREV DXXXXXXXXD LLTLLVRAXX XGSPLSVDGI VGTCVHLLTA DATA SEQUENCE GHETTTNFLA KAVLTLRAHR DVLDELRTTP ESTPAAVEEL MRYDPPVQAV DATA SEQUENCE TRWAYEDIRL GDHDIPRGSR VVALLGSANR DPARFPDPDV LDVHRAAERQ DATA SEQUENCE VGFGLGIHYC LGATLARAEA EIGLRALLDG IPALGRGAHE VEYADDMVFH DATA SEQUENCE GPTRLLLDL 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 0.000 174.640 174.700 -0.099 0.000 1.109 5 T CA 0.000 62.064 62.100 -0.060 0.000 1.349 5 T CB 0.000 68.850 68.868 -0.030 0.000 0.612 6 L N 1.454 122.610 121.223 -0.111 0.000 2.388 6 L HA 0.727 5.068 4.340 0.002 0.000 0.264 6 L C -1.931 174.926 176.870 -0.021 0.000 0.998 6 L CA -2.172 52.564 54.840 -0.174 0.000 0.817 6 L CB 2.351 44.091 42.059 -0.532 0.000 1.338 6 L HN 0.727 nan 8.230 nan 0.000 0.414 7 P HA 0.193 nan 4.420 nan 0.000 0.273 7 P C -0.918 176.487 177.300 0.174 0.000 1.250 7 P CA -0.584 62.556 63.100 0.067 0.000 0.793 7 P CB 0.547 32.249 31.700 0.004 0.000 1.011 8 R N 0.161 120.731 120.500 0.117 0.000 2.570 8 R HA 0.176 4.518 4.340 0.002 0.000 0.277 8 R C 0.221 176.583 176.300 0.103 0.000 1.039 8 R CA -0.010 56.182 56.100 0.153 0.000 1.065 8 R CB -0.330 30.029 30.300 0.098 0.000 0.964 8 R HN 0.403 nan 8.270 nan 0.000 0.428 9 F N 1.788 121.713 119.950 -0.041 0.000 2.375 9 F HA 0.257 4.786 4.527 0.002 0.000 0.333 9 F C -0.027 175.535 175.800 -0.397 0.000 1.104 9 F CA 0.077 57.862 58.000 -0.358 0.000 1.149 9 F CB 1.076 39.691 39.000 -0.642 0.000 1.190 9 F HN 0.623 nan 8.300 nan 0.000 0.533 10 D N 3.678 123.511 120.400 -0.945 0.000 2.734 10 D HA 0.161 4.802 4.640 0.002 0.000 0.224 10 D C -0.724 175.347 176.300 -0.382 0.000 1.222 10 D CA -0.555 53.180 54.000 -0.441 0.000 0.761 10 D CB 0.640 41.382 40.800 -0.097 0.000 1.569 10 D HN 0.490 nan 8.370 nan 0.000 0.477 11 L N 1.139 122.281 121.223 -0.136 0.000 2.554 11 L HA 0.221 4.562 4.340 0.002 0.000 0.226 11 L C 0.552 177.332 176.870 -0.149 0.000 1.137 11 L CA 0.401 55.127 54.840 -0.190 0.000 0.863 11 L CB -0.251 41.727 42.059 -0.134 0.000 0.985 11 L HN 0.404 nan 8.230 nan 0.000 0.451 12 M N -0.417 119.192 119.600 0.015 0.000 2.367 12 M HA 0.344 4.825 4.480 0.002 0.000 0.339 12 M C 1.069 177.441 176.300 0.121 0.000 1.177 12 M CA -0.261 55.068 55.300 0.049 0.000 1.068 12 M CB 0.669 33.298 32.600 0.049 0.000 1.602 12 M HN 0.116 nan 8.290 nan 0.000 0.457 13 G N 1.808 110.673 108.800 0.108 0.000 2.272 13 G HA2 -0.214 3.748 3.960 0.002 0.000 0.280 13 G HA3 -0.214 3.748 3.960 0.002 0.000 0.280 13 G C -0.922 174.064 174.900 0.142 0.000 1.067 13 G CA -0.250 44.908 45.100 0.096 0.000 0.902 13 G HN 0.666 nan 8.290 nan 0.000 0.500 14 W N 0.022 121.252 121.300 -0.117 0.000 2.313 14 W HA 0.536 5.196 4.660 0.001 0.000 0.328 14 W C 0.593 177.053 176.519 -0.099 0.000 1.197 14 W CA -0.740 56.521 57.345 -0.139 0.000 1.235 14 W CB 0.769 30.134 29.460 -0.158 0.000 1.158 14 W HN 0.310 nan 8.180 nan 0.000 0.578 15 D N 2.285 122.703 120.400 0.030 0.000 2.424 15 D HA -0.018 4.623 4.640 0.002 0.000 0.244 15 D C 1.597 177.930 176.300 0.054 0.000 1.134 15 D CA 0.211 54.212 54.000 0.002 0.000 0.881 15 D CB 1.033 41.788 40.800 -0.074 0.000 1.191 15 D HN 0.482 nan 8.370 nan 0.000 0.445 16 K N 3.219 123.642 120.400 0.038 0.000 2.160 16 K HA -0.299 4.022 4.320 0.002 0.000 0.206 16 K C 1.604 178.204 176.600 -0.000 0.000 1.047 16 K CA 1.416 57.723 56.287 0.034 0.000 0.930 16 K CB -0.032 32.485 32.500 0.029 0.000 0.720 16 K HN 0.318 nan 8.250 nan 0.000 0.450 17 K N 0.947 121.339 120.400 -0.013 0.000 2.155 17 K HA -0.102 4.219 4.320 0.002 0.000 0.203 17 K C 1.370 177.944 176.600 -0.044 0.000 1.052 17 K CA 1.551 57.817 56.287 -0.035 0.000 0.948 17 K CB 0.171 32.650 32.500 -0.035 0.000 0.728 17 K HN 0.151 nan 8.250 nan 0.000 0.448 18 D N 0.519 120.909 120.400 -0.016 0.000 2.234 18 D HA -0.042 4.599 4.640 0.002 0.000 0.205 18 D C 1.811 178.207 176.300 0.160 0.000 0.962 18 D CA 0.772 54.783 54.000 0.019 0.000 0.855 18 D CB 0.137 40.871 40.800 -0.111 0.000 0.951 18 D HN 0.298 nan 8.370 nan 0.000 0.500 19 I N 1.253 121.910 120.570 0.144 0.000 2.315 19 I HA -0.217 3.954 4.170 0.002 0.000 0.248 19 I C 2.483 178.484 176.117 -0.192 0.000 1.117 19 I CA 0.716 62.053 61.300 0.061 0.000 1.404 19 I CB -0.162 37.864 38.000 0.044 0.000 1.071 19 I HN -0.090 nan 8.210 nan 0.000 0.419 20 A N -0.315 122.278 122.820 -0.378 0.000 1.933 20 A HA -0.215 4.107 4.320 0.002 0.000 0.218 20 A C 0.989 178.366 177.584 -0.346 0.000 1.175 20 A CA 1.751 53.361 52.037 -0.713 0.000 0.628 20 A CB -0.230 18.553 19.000 -0.361 0.000 0.814 20 A HN 0.431 nan 8.150 nan 0.000 0.444 21 D N -2.272 118.040 120.400 -0.146 0.000 2.364 21 D HA 0.269 4.910 4.640 0.002 0.000 0.251 21 D C -2.095 174.144 176.300 -0.102 0.000 1.282 21 D CA -1.526 52.443 54.000 -0.052 0.000 0.927 21 D CB 1.405 42.210 40.800 0.008 0.000 1.267 21 D HN 0.054 nan 8.370 nan 0.000 0.531 22 P HA -0.086 nan 4.420 nan 0.000 0.227 22 P C 1.009 177.838 177.300 -0.784 0.000 1.161 22 P CA 0.389 63.191 63.100 -0.498 0.000 0.788 22 P CB 0.269 31.460 31.700 -0.849 0.000 0.822 23 Y N 1.132 121.296 120.300 -0.226 0.000 2.207 23 Y HA -0.080 4.471 4.550 0.002 0.000 0.287 23 Y C -0.219 175.695 175.900 0.024 0.000 1.156 23 Y CA 1.659 59.746 58.100 -0.021 0.000 1.182 23 Y CB -2.565 35.904 38.460 0.015 0.000 0.979 23 Y HN 0.188 nan 8.280 nan 0.000 0.521 24 P HA -0.109 nan 4.420 nan 0.000 0.221 24 P C 1.668 179.002 177.300 0.056 0.000 1.150 24 P CA 1.176 64.322 63.100 0.077 0.000 0.800 24 P CB 0.094 31.816 31.700 0.036 0.000 0.787 25 V N -1.451 118.452 119.914 -0.019 0.000 2.323 25 V HA -0.246 3.875 4.120 0.002 0.000 0.244 25 V C 2.077 178.345 176.094 0.291 0.000 1.041 25 V CA 1.737 64.057 62.300 0.034 0.000 1.025 25 V CB -1.429 30.291 31.823 -0.172 0.000 0.656 25 V HN 0.020 nan 8.190 nan 0.000 0.451 26 Y N 0.647 121.132 120.300 0.308 0.000 2.128 26 Y HA -0.203 4.348 4.550 0.002 0.000 0.284 26 Y C 2.670 178.730 175.900 0.267 0.000 1.154 26 Y CA 1.580 59.900 58.100 0.367 0.000 1.149 26 Y CB -0.909 37.726 38.460 0.292 0.000 0.976 26 Y HN 0.128 nan 8.280 nan 0.000 0.505 27 R N 0.564 121.279 120.500 0.358 0.000 2.083 27 R HA -0.193 4.148 4.340 0.002 0.000 0.237 27 R C 2.354 178.723 176.300 0.115 0.000 1.137 27 R CA 1.732 57.963 56.100 0.217 0.000 0.951 27 R CB -0.136 30.266 30.300 0.170 0.000 0.851 27 R HN 0.288 nan 8.270 nan 0.000 0.434 28 R N -1.009 119.538 120.500 0.079 0.000 2.083 28 R HA -0.179 4.162 4.340 0.002 0.000 0.237 28 R C 2.226 178.427 176.300 -0.164 0.000 1.137 28 R CA 1.942 58.011 56.100 -0.052 0.000 0.951 28 R CB -0.444 29.791 30.300 -0.108 0.000 0.851 28 R HN 0.338 nan 8.270 nan 0.000 0.434 29 Y N 0.188 120.338 120.300 -0.249 0.000 2.220 29 Y HA -0.106 4.444 4.550 0.001 0.000 0.291 29 Y C 2.623 178.223 175.900 -0.502 0.000 1.129 29 Y CA 1.196 58.925 58.100 -0.617 0.000 1.161 29 Y CB -0.190 37.443 38.460 -1.379 0.000 0.997 29 Y HN -0.030 nan 8.280 nan 0.000 0.522 30 R N 0.609 120.985 120.500 -0.207 0.000 2.096 30 R HA -0.183 4.158 4.340 0.002 0.000 0.235 30 R C 1.822 178.142 176.300 0.032 0.000 1.127 30 R CA 1.782 57.871 56.100 -0.018 0.000 0.968 30 R CB -0.116 30.287 30.300 0.172 0.000 0.861 30 R HN 0.416 nan 8.270 nan 0.000 0.440 31 E N -0.520 119.691 120.200 0.019 0.000 2.152 31 E HA -0.121 4.230 4.350 0.002 0.000 0.192 31 E C 1.817 178.417 176.600 -0.001 0.000 0.983 31 E CA 0.905 57.315 56.400 0.016 0.000 0.818 31 E CB 0.042 29.748 29.700 0.009 0.000 0.758 31 E HN 0.427 nan 8.360 nan 0.000 0.467 32 A N 1.054 123.865 122.820 -0.015 0.000 1.872 32 A HA 0.246 4.567 4.320 0.002 0.000 0.214 32 A C 1.044 178.624 177.584 -0.006 0.000 1.187 32 A CA 1.285 53.315 52.037 -0.012 0.000 0.614 32 A CB 0.116 19.106 19.000 -0.016 0.000 0.826 32 A HN 0.228 nan 8.150 nan 0.000 0.442 33 A N -2.396 120.439 122.820 0.025 0.000 2.582 33 A HA 0.567 4.888 4.320 0.002 0.000 0.297 33 A C -2.356 175.250 177.584 0.037 0.000 1.059 33 A CA -0.353 51.656 52.037 -0.046 0.000 0.705 33 A CB 0.378 19.238 19.000 -0.234 0.000 1.279 33 A HN -0.042 nan 8.150 nan 0.000 0.404 34 P HA -0.025 nan 4.420 nan 0.000 0.218 34 P C 0.395 177.876 177.300 0.302 0.000 1.148 34 P CA 1.325 64.534 63.100 0.182 0.000 0.822 34 P CB 0.154 31.934 31.700 0.134 0.000 0.784 35 V N 0.341 120.403 119.914 0.246 0.000 2.735 35 V HA 0.361 4.482 4.120 0.002 0.000 0.310 35 V C -0.292 175.870 176.094 0.114 0.000 1.061 35 V CA -0.755 61.710 62.300 0.275 0.000 0.913 35 V CB 2.194 34.137 31.823 0.199 0.000 1.005 35 V HN 0.131 nan 8.190 nan 0.000 0.428 36 H N 3.783 122.982 119.070 0.214 0.000 2.589 36 H HA 0.453 5.011 4.556 0.003 0.000 0.351 36 H C -0.600 174.738 175.328 0.016 0.000 1.074 36 H CA -0.662 55.481 56.048 0.158 0.000 1.203 36 H CB 2.480 32.425 29.762 0.304 0.000 1.558 36 H HN 0.501 nan 8.280 nan 0.000 0.522 37 R N 2.327 122.760 120.500 -0.112 0.000 2.312 37 R HA 0.278 4.619 4.340 0.002 0.000 0.311 37 R C -1.048 175.200 176.300 -0.087 0.000 1.004 37 R CA -0.293 55.559 56.100 -0.413 0.000 0.902 37 R CB 0.859 30.800 30.300 -0.598 0.000 1.073 37 R HN 0.543 nan 8.270 nan 0.000 0.457 38 T N 3.421 117.925 114.554 -0.083 0.000 2.934 38 T HA 0.365 4.716 4.350 0.002 0.000 0.328 38 T C -0.395 174.295 174.700 -0.016 0.000 1.068 38 T CA -0.399 61.749 62.100 0.080 0.000 1.018 38 T CB 1.255 70.308 68.868 0.308 0.000 1.009 38 T HN 0.720 nan 8.240 nan 0.000 0.471 39 A N 3.359 126.171 122.820 -0.013 0.000 2.425 39 A HA 0.651 4.972 4.320 0.002 0.000 0.242 39 A C 0.883 178.482 177.584 0.026 0.000 1.077 39 A CA -0.465 51.567 52.037 -0.008 0.000 0.781 39 A CB 0.167 19.173 19.000 0.009 0.000 1.020 39 A HN 0.826 nan 8.150 nan 0.000 0.494 40 S N 1.027 116.746 115.700 0.032 0.000 2.745 40 S HA 0.768 5.239 4.470 0.002 0.000 0.292 40 S C 0.883 175.509 174.600 0.044 0.000 1.127 40 S CA -0.271 57.958 58.200 0.047 0.000 1.007 40 S CB 0.689 63.925 63.200 0.061 0.000 1.165 40 S HN 1.317 nan 8.310 nan 0.000 0.544 41 G N 0.680 109.507 108.800 0.045 0.000 2.467 41 G HA2 0.423 4.384 3.960 0.002 0.000 0.243 41 G HA3 0.423 4.384 3.960 0.002 0.000 0.243 41 G C -2.514 172.410 174.900 0.040 0.000 1.521 41 G CA -0.968 44.156 45.100 0.039 0.000 1.055 41 G HN 0.682 nan 8.290 nan 0.000 0.553 42 P HA 0.323 nan 4.420 nan 0.000 0.292 42 P C 0.478 177.800 177.300 0.038 0.000 1.287 42 P CA 0.787 63.908 63.100 0.035 0.000 0.800 42 P CB 1.379 33.096 31.700 0.029 0.000 0.945 43 G N 3.030 111.855 108.800 0.042 0.000 2.490 43 G HA2 -0.262 3.699 3.960 0.002 0.000 0.214 43 G HA3 -0.262 3.699 3.960 0.002 0.000 0.214 43 G C 0.420 175.354 174.900 0.056 0.000 1.151 43 G CA 0.364 45.490 45.100 0.044 0.000 0.684 43 G HN 0.641 nan 8.290 nan 0.000 0.518 44 K N 0.125 120.562 120.400 0.061 0.000 2.128 44 K HA -0.209 4.112 4.320 0.002 0.000 0.209 44 K C -1.679 174.978 176.600 0.096 0.000 1.577 44 K CA 1.285 57.619 56.287 0.078 0.000 0.659 44 K CB -2.264 30.285 32.500 0.081 0.000 0.684 44 K HN 0.663 nan 8.250 nan 0.000 0.906 45 P HA 0.075 nan 4.420 nan 0.000 0.270 45 P C -0.819 176.561 177.300 0.132 0.000 1.223 45 P CA 0.282 63.474 63.100 0.155 0.000 0.785 45 P CB 0.396 32.231 31.700 0.225 0.000 0.923 46 D N -0.211 120.257 120.400 0.113 0.000 2.388 46 D HA 0.333 4.974 4.640 0.002 0.000 0.254 46 D C 0.185 176.476 176.300 -0.015 0.000 1.111 46 D CA 0.103 54.119 54.000 0.027 0.000 0.993 46 D CB 1.115 41.888 40.800 -0.045 0.000 1.118 46 D HN 0.400 nan 8.370 nan 0.000 0.502 47 T N -1.010 113.443 114.554 -0.169 0.000 2.863 47 T HA 0.564 4.915 4.350 0.002 0.000 0.285 47 T C -1.460 172.969 174.700 -0.453 0.000 1.009 47 T CA -0.610 61.328 62.100 -0.269 0.000 0.989 47 T CB 0.516 69.173 68.868 -0.351 0.000 1.004 47 T HN 0.183 nan 8.240 nan 0.000 0.455 48 Y N 2.223 122.277 120.300 -0.410 0.000 2.350 48 Y HA 0.526 5.078 4.550 0.003 0.000 0.338 48 Y C -0.766 174.873 175.900 -0.436 0.000 0.961 48 Y CA -1.175 56.737 58.100 -0.313 0.000 1.100 48 Y CB 1.393 39.712 38.460 -0.235 0.000 1.179 48 Y HN 0.623 nan 8.280 nan 0.000 0.454 49 Y N 2.047 122.368 120.300 0.035 0.000 2.326 49 Y HA 0.529 5.080 4.550 0.002 0.000 0.337 49 Y C -0.249 175.578 175.900 -0.122 0.000 1.023 49 Y CA -1.061 56.947 58.100 -0.152 0.000 1.143 49 Y CB 1.161 39.452 38.460 -0.283 0.000 1.183 49 Y HN 0.251 nan 8.280 nan 0.000 0.485 50 V N 5.252 125.067 119.914 -0.164 0.000 2.347 50 V HA 0.150 4.271 4.120 0.002 0.000 0.280 50 V C -0.165 175.788 176.094 -0.234 0.000 1.021 50 V CA -0.437 61.824 62.300 -0.065 0.000 0.847 50 V CB 0.485 32.261 31.823 -0.078 0.000 0.990 50 V HN 0.730 nan 8.190 nan 0.000 0.444 51 F N 1.094 121.027 119.950 -0.029 0.000 2.714 51 F HA 0.165 4.693 4.527 0.001 0.000 0.294 51 F C 1.469 177.274 175.800 0.007 0.000 1.120 51 F CA 0.129 58.100 58.000 -0.048 0.000 1.398 51 F CB 0.147 39.148 39.000 0.002 0.000 1.120 51 F HN 0.380 nan 8.300 nan 0.000 0.589 52 T N -0.134 114.538 114.554 0.197 0.000 2.882 52 T HA 0.041 4.393 4.350 0.002 0.000 0.287 52 T C 0.682 175.457 174.700 0.126 0.000 0.992 52 T CA -0.284 61.916 62.100 0.166 0.000 1.076 52 T CB 1.148 70.104 68.868 0.147 0.000 0.961 52 T HN 0.163 nan 8.240 nan 0.000 0.490 53 Y N 2.753 123.086 120.300 0.055 0.000 2.097 53 Y HA -0.239 4.312 4.550 0.002 0.000 0.282 53 Y C 2.027 177.933 175.900 0.010 0.000 1.152 53 Y CA 1.939 60.062 58.100 0.037 0.000 1.136 53 Y CB -0.039 38.430 38.460 0.015 0.000 0.975 53 Y HN 0.648 nan 8.280 nan 0.000 0.498 54 D N 0.018 120.516 120.400 0.163 0.000 2.117 54 D HA -0.178 4.463 4.640 0.002 0.000 0.197 54 D C 1.722 178.002 176.300 -0.034 0.000 0.987 54 D CA 1.637 55.672 54.000 0.059 0.000 0.829 54 D CB -0.406 40.451 40.800 0.095 0.000 0.961 54 D HN 0.462 nan 8.370 nan 0.000 0.460 55 D N 0.036 120.431 120.400 -0.009 0.000 2.178 55 D HA -0.073 4.568 4.640 0.002 0.000 0.202 55 D C 2.233 178.484 176.300 -0.081 0.000 0.974 55 D CA 0.244 54.229 54.000 -0.025 0.000 0.841 55 D CB 0.002 40.813 40.800 0.017 0.000 0.953 55 D HN 0.061 nan 8.370 nan 0.000 0.478 56 V N 0.543 120.384 119.914 -0.123 0.000 2.427 56 V HA -0.169 3.952 4.120 0.002 0.000 0.248 56 V C 2.584 178.558 176.094 -0.200 0.000 1.051 56 V CA 0.849 63.046 62.300 -0.172 0.000 1.048 56 V CB -0.181 31.520 31.823 -0.203 0.000 0.666 56 V HN 0.056 nan 8.190 nan 0.000 0.456 57 V N -0.252 119.504 119.914 -0.263 0.000 2.427 57 V HA -0.229 3.892 4.120 0.002 0.000 0.248 57 V C 2.567 178.589 176.094 -0.119 0.000 1.051 57 V CA 1.943 64.108 62.300 -0.226 0.000 1.048 57 V CB -0.685 30.981 31.823 -0.262 0.000 0.666 57 V HN 0.472 nan 8.190 nan 0.000 0.456 58 R N -0.633 119.809 120.500 -0.097 0.000 2.075 58 R HA -0.110 4.231 4.340 0.002 0.000 0.232 58 R C 2.243 178.500 176.300 -0.072 0.000 1.126 58 R CA 1.377 57.438 56.100 -0.066 0.000 0.963 58 R CB -0.512 29.758 30.300 -0.050 0.000 0.858 58 R HN 0.379 nan 8.270 nan 0.000 0.435 59 V N 1.452 121.312 119.914 -0.090 0.000 2.295 59 V HA -0.218 3.903 4.120 0.002 0.000 0.246 59 V C 2.197 178.239 176.094 -0.086 0.000 1.049 59 V CA 1.645 63.885 62.300 -0.100 0.000 1.024 59 V CB -0.361 31.387 31.823 -0.124 0.000 0.648 59 V HN 0.309 nan 8.190 nan 0.000 0.447 60 L N 0.722 121.897 121.223 -0.081 0.000 2.362 60 L HA -0.083 4.258 4.340 0.002 0.000 0.219 60 L C 2.245 179.103 176.870 -0.020 0.000 1.134 60 L CA 1.538 56.351 54.840 -0.046 0.000 0.807 60 L CB -0.449 41.583 42.059 -0.045 0.000 0.927 60 L HN 0.561 nan 8.230 nan 0.000 0.447 61 S N -2.594 113.086 115.700 -0.034 0.000 2.512 61 S HA 0.041 4.512 4.470 0.002 0.000 0.216 61 S C 0.864 175.452 174.600 -0.020 0.000 1.006 61 S CA -0.486 57.702 58.200 -0.021 0.000 0.915 61 S CB -0.185 63.001 63.200 -0.023 0.000 0.824 61 S HN 0.285 nan 8.310 nan 0.000 0.497 62 N N 3.210 121.891 118.700 -0.031 0.000 2.431 62 N HA 0.085 4.826 4.740 0.002 0.000 0.265 62 N C 1.125 176.623 175.510 -0.020 0.000 1.184 62 N CA -0.191 52.842 53.050 -0.029 0.000 0.943 62 N CB 0.880 39.338 38.487 -0.048 0.000 1.080 62 N HN 0.600 nan 8.380 nan 0.000 0.477 63 R N 3.439 123.941 120.500 0.004 0.000 2.235 63 R HA 0.040 4.382 4.340 0.002 0.000 0.213 63 R C 0.836 177.168 176.300 0.053 0.000 1.059 63 R CA 0.915 57.034 56.100 0.032 0.000 0.997 63 R CB 0.008 30.335 30.300 0.046 0.000 0.884 63 R HN 0.438 nan 8.270 nan 0.000 0.462 64 R N 0.592 121.108 120.500 0.026 0.000 2.313 64 R HA 0.210 4.551 4.340 0.002 0.000 0.199 64 R C -0.053 176.161 176.300 -0.144 0.000 0.958 64 R CA 0.244 56.373 56.100 0.048 0.000 1.047 64 R CB 0.133 30.462 30.300 0.049 0.000 0.955 64 R HN 0.183 nan 8.270 nan 0.000 0.481 65 L N 0.896 121.988 121.223 -0.219 0.000 2.295 65 L HA 0.407 4.748 4.340 0.002 0.000 0.281 65 L C 0.391 177.020 176.870 -0.401 0.000 1.018 65 L CA -0.715 53.909 54.840 -0.359 0.000 0.841 65 L CB 1.783 43.722 42.059 -0.199 0.000 1.218 65 L HN 0.041 nan 8.230 nan 0.000 0.424 66 G N 1.869 110.180 108.800 -0.815 0.000 2.601 66 G HA2 0.432 4.393 3.960 0.002 0.000 0.317 66 G HA3 0.432 4.393 3.960 0.002 0.000 0.317 66 G C 0.478 175.393 174.900 0.025 0.000 1.246 66 G CA -0.492 44.431 45.100 -0.295 0.000 1.012 66 G HN 0.569 nan 8.290 nan 0.000 0.494 67 R N -0.655 119.940 120.500 0.159 0.000 2.080 67 R HA 0.057 4.398 4.340 0.002 0.000 0.222 67 R C 0.153 176.673 176.300 0.366 0.000 1.107 67 R CA 0.303 56.526 56.100 0.205 0.000 0.980 67 R CB -0.091 30.227 30.300 0.030 0.000 0.879 67 R HN 0.350 nan 8.270 nan 0.000 0.439 68 N N 1.515 120.351 118.700 0.227 0.000 2.422 68 N HA 0.138 4.879 4.740 0.002 0.000 0.264 68 N C -0.848 174.475 175.510 -0.312 0.000 1.063 68 N CA 0.013 53.058 53.050 -0.007 0.000 0.959 68 N CB 1.626 40.125 38.487 0.021 0.000 1.087 68 N HN 0.148 nan 8.380 nan 0.000 0.483 69 A N 3.508 125.715 122.820 -1.020 0.000 2.532 69 A HA -0.086 4.235 4.320 0.002 0.000 0.269 69 A C 0.795 178.098 177.584 -0.467 0.000 1.079 69 A CA 0.341 51.595 52.037 -1.306 0.000 0.800 69 A CB -0.366 17.725 19.000 -1.516 0.000 1.000 69 A HN 0.709 nan 8.150 nan 0.000 0.522 70 R N 3.741 124.129 120.500 -0.187 0.000 2.393 70 R HA 0.547 4.889 4.340 0.002 0.000 0.310 70 R C -0.245 176.003 176.300 -0.088 0.000 0.968 70 R CA -0.542 55.486 56.100 -0.120 0.000 0.867 70 R CB 1.248 31.450 30.300 -0.163 0.000 1.124 70 R HN 0.508 nan 8.270 nan 0.000 0.450 89 A N 2.577 125.413 122.820 0.026 0.000 2.168 89 A HA -0.100 4.221 4.320 0.002 0.000 0.215 89 A C 1.675 179.273 177.584 0.024 0.000 1.152 89 A CA 0.957 53.019 52.037 0.042 0.000 0.716 89 A CB -0.026 19.019 19.000 0.074 0.000 0.794 89 A HN 0.515 nan 8.150 nan 0.000 0.465 90 L N -0.313 120.912 121.223 0.004 0.000 2.023 90 L HA -0.011 4.330 4.340 0.002 0.000 0.205 90 L C 2.311 179.114 176.870 -0.113 0.000 1.073 90 L CA 1.823 56.639 54.840 -0.040 0.000 0.745 90 L CB -0.636 41.418 42.059 -0.008 0.000 0.900 90 L HN 0.327 nan 8.230 nan 0.000 0.435 91 R N -0.872 119.579 120.500 -0.082 0.000 2.105 91 R HA -0.176 4.165 4.340 0.002 0.000 0.239 91 R C 2.203 178.438 176.300 -0.108 0.000 1.135 91 R CA 2.023 58.060 56.100 -0.105 0.000 0.967 91 R CB -0.565 29.696 30.300 -0.066 0.000 0.861 91 R HN 0.704 nan 8.270 nan 0.000 0.442 92 T N -2.338 112.178 114.554 -0.064 0.000 2.942 92 T HA 0.005 4.356 4.350 0.002 0.000 0.265 92 T C 1.949 176.618 174.700 -0.051 0.000 1.062 92 T CA 0.779 62.858 62.100 -0.036 0.000 1.139 92 T CB -0.157 68.715 68.868 0.007 0.000 0.883 92 T HN -0.027 nan 8.240 nan 0.000 0.468 93 V N 2.318 122.181 119.914 -0.086 0.000 2.307 93 V HA -0.089 4.032 4.120 0.002 0.000 0.245 93 V C 2.971 178.807 176.094 -0.430 0.000 1.045 93 V CA 1.860 64.096 62.300 -0.107 0.000 1.024 93 V CB -0.184 31.608 31.823 -0.050 0.000 0.651 93 V HN 0.664 nan 8.190 nan 0.000 0.449 94 V N -0.271 119.242 119.914 -0.668 0.000 3.306 94 V HA -0.084 4.037 4.120 0.002 0.000 0.264 94 V C 2.141 177.973 176.094 -0.437 0.000 1.149 94 V CA 1.512 63.167 62.300 -1.074 0.000 1.143 94 V CB -1.002 30.281 31.823 -0.899 0.000 0.767 94 V HN 0.814 nan 8.190 nan 0.000 0.476 95 E N 1.764 121.834 120.200 -0.216 0.000 2.204 95 E HA -0.178 4.173 4.350 0.002 0.000 0.194 95 E C 1.314 177.972 176.600 0.098 0.000 0.989 95 E CA 1.595 57.967 56.400 -0.047 0.000 0.824 95 E CB -0.514 29.170 29.700 -0.027 0.000 0.756 95 E HN 0.729 nan 8.360 nan 0.000 0.477 96 N N -0.065 118.724 118.700 0.148 0.000 2.214 96 N HA 0.017 4.758 4.740 0.002 0.000 0.214 96 N C -0.842 174.875 175.510 0.346 0.000 1.132 96 N CA -0.187 53.009 53.050 0.243 0.000 0.856 96 N CB 0.214 38.841 38.487 0.234 0.000 1.020 96 N HN 0.125 nan 8.380 nan 0.000 0.509 97 W N 1.892 123.249 121.300 0.094 0.000 2.469 97 W HA 0.061 4.722 4.660 0.001 0.000 0.321 97 W C 1.546 178.078 176.519 0.022 0.000 1.415 97 W CA -0.979 56.361 57.345 -0.008 0.000 1.308 97 W CB 0.102 29.406 29.460 -0.261 0.000 1.368 97 W HN 0.042 nan 8.180 nan 0.000 0.546 98 L N 5.035 126.423 121.223 0.274 0.000 2.129 98 L HA -0.202 4.139 4.340 0.002 0.000 0.212 98 L C 1.875 178.845 176.870 0.167 0.000 1.087 98 L CA 1.736 56.688 54.840 0.187 0.000 0.757 98 L CB -0.813 41.327 42.059 0.135 0.000 0.896 98 L HN 0.332 nan 8.230 nan 0.000 0.434 99 V N -1.104 118.863 119.914 0.088 0.000 3.305 99 V HA -0.152 3.969 4.120 0.002 0.000 0.269 99 V C 1.244 177.186 176.094 -0.253 0.000 1.157 99 V CA 1.082 63.297 62.300 -0.141 0.000 1.157 99 V CB -0.638 31.027 31.823 -0.265 0.000 0.772 99 V HN 0.459 nan 8.190 nan 0.000 0.498 100 F N -0.615 119.398 119.950 0.105 0.000 2.682 100 F HA 0.441 4.968 4.527 0.001 0.000 0.308 100 F C 0.555 176.388 175.800 0.054 0.000 1.093 100 F CA -0.704 57.337 58.000 0.068 0.000 1.244 100 F CB 0.029 39.076 39.000 0.079 0.000 1.052 100 F HN -0.027 nan 8.300 nan 0.000 0.573 101 L N 0.138 121.484 121.223 0.206 0.000 2.334 101 L HA 0.441 4.782 4.340 0.002 0.000 0.275 101 L C -0.149 176.829 176.870 0.180 0.000 1.036 101 L CA -0.810 54.142 54.840 0.186 0.000 0.807 101 L CB 0.971 43.106 42.059 0.127 0.000 1.231 101 L HN -0.157 nan 8.230 nan 0.000 0.438 102 D N 1.881 122.410 120.400 0.215 0.000 2.229 102 D HA 0.224 4.865 4.640 0.002 0.000 0.249 102 D C -1.602 174.887 176.300 0.315 0.000 1.027 102 D CA -1.419 52.724 54.000 0.238 0.000 0.923 102 D CB 2.011 42.955 40.800 0.241 0.000 1.174 102 D HN 0.199 nan 8.370 nan 0.000 0.443 103 P HA -0.269 nan 4.420 nan 0.000 0.235 103 P C -1.646 175.820 177.300 0.277 0.000 1.116 103 P CA 2.476 65.772 63.100 0.328 0.000 0.991 103 P CB -0.744 31.080 31.700 0.208 0.000 0.764 104 P HA -0.196 nan 4.420 nan 0.000 0.205 104 P C 1.557 178.995 177.300 0.229 0.000 1.193 104 P CA 1.702 64.907 63.100 0.175 0.000 0.929 104 P CB -0.618 31.165 31.700 0.139 0.000 0.772 105 H N -1.355 117.792 119.070 0.128 0.000 2.421 105 H HA -0.182 4.375 4.556 0.002 0.000 0.298 105 H C 2.040 177.452 175.328 0.139 0.000 1.087 105 H CA 1.985 58.103 56.048 0.116 0.000 1.330 105 H CB -1.139 28.694 29.762 0.118 0.000 1.388 105 H HN 0.209 nan 8.280 nan 0.000 0.526 106 H N -0.363 118.786 119.070 0.132 0.000 2.352 106 H HA -0.104 4.453 4.556 0.002 0.000 0.299 106 H C 1.889 177.264 175.328 0.078 0.000 1.097 106 H CA 2.577 58.666 56.048 0.069 0.000 1.311 106 H CB -0.343 29.520 29.762 0.168 0.000 1.377 106 H HN 0.306 nan 8.280 nan 0.000 0.504 107 T N 0.747 115.233 114.554 -0.115 0.000 2.684 107 T HA -0.159 4.192 4.350 0.002 0.000 0.267 107 T C 1.711 176.346 174.700 -0.107 0.000 1.036 107 T CA 1.705 63.706 62.100 -0.165 0.000 1.148 107 T CB -0.173 68.696 68.868 0.002 0.000 0.863 107 T HN 0.564 nan 8.240 nan 0.000 0.436 108 E N 0.642 120.849 120.200 0.012 0.000 2.051 108 E HA -0.110 4.242 4.350 0.002 0.000 0.192 108 E C 2.189 178.808 176.600 0.031 0.000 0.991 108 E CA 0.882 57.313 56.400 0.052 0.000 0.799 108 E CB -0.280 29.502 29.700 0.137 0.000 0.748 108 E HN 0.229 nan 8.360 nan 0.000 0.449 109 L N 1.397 122.632 121.223 0.020 0.000 2.072 109 L HA -0.098 4.243 4.340 0.002 0.000 0.205 109 L C 2.406 179.242 176.870 -0.057 0.000 1.079 109 L CA 1.650 56.485 54.840 -0.008 0.000 0.752 109 L CB -0.372 41.641 42.059 -0.077 0.000 0.906 109 L HN -0.081 nan 8.230 nan 0.000 0.436 110 R N -1.013 119.389 120.500 -0.162 0.000 2.083 110 R HA -0.191 4.150 4.340 0.002 0.000 0.237 110 R C 2.500 178.761 176.300 -0.065 0.000 1.137 110 R CA 1.696 57.714 56.100 -0.136 0.000 0.951 110 R CB -0.577 29.554 30.300 -0.281 0.000 0.851 110 R HN 0.507 nan 8.270 nan 0.000 0.434 111 S N 0.343 115.999 115.700 -0.073 0.000 2.402 111 S HA -0.162 4.309 4.470 0.002 0.000 0.233 111 S C 1.876 176.469 174.600 -0.013 0.000 1.030 111 S CA 1.251 59.431 58.200 -0.034 0.000 1.003 111 S CB -0.307 62.875 63.200 -0.030 0.000 0.813 111 S HN 0.350 nan 8.310 nan 0.000 0.477 112 L N 1.400 122.619 121.223 -0.007 0.000 1.955 112 L HA 0.028 4.369 4.340 0.002 0.000 0.213 112 L C 1.930 178.802 176.870 0.004 0.000 1.072 112 L CA 2.047 56.889 54.840 0.004 0.000 0.755 112 L CB -0.729 41.340 42.059 0.018 0.000 0.888 112 L HN 0.449 nan 8.230 nan 0.000 0.432 113 L N -1.826 119.409 121.223 0.021 0.000 2.558 113 L HA 0.040 4.381 4.340 0.002 0.000 0.225 113 L C 2.081 179.008 176.870 0.096 0.000 1.128 113 L CA 0.545 55.413 54.840 0.046 0.000 0.868 113 L CB -1.064 41.058 42.059 0.106 0.000 1.006 113 L HN 0.151 nan 8.230 nan 0.000 0.454 114 T N -1.038 113.559 114.554 0.072 0.000 2.699 114 T HA -0.264 4.087 4.350 0.002 0.000 0.268 114 T C 1.991 176.734 174.700 0.070 0.000 1.036 114 T CA 2.312 64.464 62.100 0.087 0.000 1.147 114 T CB -0.249 68.642 68.868 0.038 0.000 0.862 114 T HN 0.367 nan 8.240 nan 0.000 0.446 115 T N 0.466 115.029 114.554 0.015 0.000 3.035 115 T HA -0.028 4.323 4.350 0.002 0.000 0.268 115 T C 1.632 176.298 174.700 -0.057 0.000 1.109 115 T CA 0.913 63.006 62.100 -0.012 0.000 1.119 115 T CB -0.197 68.657 68.868 -0.023 0.000 0.900 115 T HN 0.362 nan 8.240 nan 0.000 0.503 116 E N -0.600 119.526 120.200 -0.124 0.000 2.494 116 E HA 0.148 4.499 4.350 0.002 0.000 0.193 116 E C 0.043 176.336 176.600 -0.511 0.000 1.074 116 E CA 0.326 56.543 56.400 -0.306 0.000 0.867 116 E CB -0.122 29.340 29.700 -0.396 0.000 0.924 116 E HN 0.513 nan 8.360 nan 0.000 0.502 117 F N -0.273 119.647 119.950 -0.050 0.000 2.791 117 F HA 0.242 4.770 4.527 0.002 0.000 0.316 117 F C 0.355 176.123 175.800 -0.054 0.000 1.134 117 F CA -0.490 57.475 58.000 -0.059 0.000 1.222 117 F CB 0.094 39.049 39.000 -0.074 0.000 1.034 117 F HN -0.092 nan 8.300 nan 0.000 0.516 118 S N -0.267 115.473 115.700 0.066 0.000 2.589 118 S HA 0.185 4.656 4.470 0.002 0.000 0.265 118 S C -1.684 172.930 174.600 0.022 0.000 1.342 118 S CA -0.853 57.366 58.200 0.033 0.000 1.005 118 S CB 1.083 64.284 63.200 0.001 0.000 0.909 118 S HN -0.059 nan 8.310 nan 0.000 0.555 119 P HA -0.069 nan 4.420 nan 0.000 0.219 119 P C 1.682 178.981 177.300 -0.002 0.000 1.146 119 P CA 1.134 64.234 63.100 0.000 0.000 0.808 119 P CB -0.049 31.646 31.700 -0.008 0.000 0.779 120 S N -0.996 114.700 115.700 -0.007 0.000 2.343 120 S HA -0.124 4.348 4.470 0.002 0.000 0.219 120 S C 1.796 176.387 174.600 -0.015 0.000 1.033 120 S CA 1.083 59.276 58.200 -0.011 0.000 1.014 120 S CB -0.807 62.384 63.200 -0.016 0.000 0.915 120 S HN -0.100 nan 8.310 nan 0.000 0.435 121 I N 1.617 122.173 120.570 -0.022 0.000 2.179 121 I HA -0.099 4.072 4.170 0.002 0.000 0.242 121 I C 2.397 178.505 176.117 -0.015 0.000 1.088 121 I CA 1.081 62.360 61.300 -0.035 0.000 1.357 121 I CB -1.774 36.181 38.000 -0.075 0.000 1.051 121 I HN 0.187 nan 8.210 nan 0.000 0.409 122 V N 0.795 120.713 119.914 0.006 0.000 2.295 122 V HA -0.269 3.852 4.120 0.002 0.000 0.246 122 V C 2.622 178.722 176.094 0.010 0.000 1.049 122 V CA 2.325 64.637 62.300 0.021 0.000 1.024 122 V CB -1.184 30.657 31.823 0.031 0.000 0.648 122 V HN 0.418 nan 8.190 nan 0.000 0.447 123 T N 0.467 115.023 114.554 0.004 0.000 2.720 123 T HA -0.154 4.197 4.350 0.002 0.000 0.268 123 T C 1.796 176.497 174.700 0.002 0.000 1.037 123 T CA 1.710 63.812 62.100 0.003 0.000 1.144 123 T CB -0.591 68.277 68.868 -0.000 0.000 0.864 123 T HN 0.642 nan 8.240 nan 0.000 0.444 124 G N 0.419 109.217 108.800 -0.002 0.000 2.534 124 G HA2 -0.024 3.937 3.960 0.002 0.000 0.217 124 G HA3 -0.024 3.937 3.960 0.002 0.000 0.217 124 G C 1.390 176.289 174.900 -0.001 0.000 1.128 124 G CA 0.214 45.312 45.100 -0.003 0.000 0.784 124 G HN 0.421 nan 8.290 nan 0.000 0.542 125 L N 0.218 121.442 121.223 0.001 0.000 2.375 125 L HA 0.326 4.667 4.340 0.002 0.000 0.215 125 L C 2.673 179.549 176.870 0.010 0.000 1.108 125 L CA 0.647 55.489 54.840 0.004 0.000 0.830 125 L CB -0.270 41.793 42.059 0.007 0.000 0.959 125 L HN 0.071 nan 8.230 nan 0.000 0.457 126 R N 0.213 120.720 120.500 0.012 0.000 2.119 126 R HA -0.189 4.152 4.340 0.002 0.000 0.246 126 R C -0.381 175.929 176.300 0.017 0.000 1.146 126 R CA 2.024 58.134 56.100 0.016 0.000 0.962 126 R CB -1.946 28.364 30.300 0.016 0.000 0.863 126 R HN 0.390 nan 8.270 nan 0.000 0.442 127 P HA -0.169 nan 4.420 nan 0.000 0.216 127 P C 0.947 178.256 177.300 0.014 0.000 1.150 127 P CA 1.152 64.260 63.100 0.014 0.000 0.837 127 P CB 0.042 31.748 31.700 0.010 0.000 0.786 128 R N 0.178 120.684 120.500 0.010 0.000 2.092 128 R HA -0.013 4.329 4.340 0.002 0.000 0.231 128 R C 2.102 178.406 176.300 0.007 0.000 1.119 128 R CA 1.405 57.510 56.100 0.008 0.000 0.970 128 R CB -1.577 28.727 30.300 0.006 0.000 0.864 128 R HN 0.138 nan 8.270 nan 0.000 0.440 129 I N 0.297 120.873 120.570 0.009 0.000 2.226 129 I HA -0.233 3.938 4.170 0.002 0.000 0.245 129 I C 2.220 178.347 176.117 0.016 0.000 1.100 129 I CA 1.403 62.707 61.300 0.006 0.000 1.374 129 I CB -0.455 37.553 38.000 0.013 0.000 1.057 129 I HN 0.276 nan 8.210 nan 0.000 0.413 130 A N 0.289 123.125 122.820 0.028 0.000 1.930 130 A HA -0.243 4.078 4.320 0.002 0.000 0.217 130 A C 2.300 179.910 177.584 0.043 0.000 1.175 130 A CA 1.753 53.816 52.037 0.044 0.000 0.627 130 A CB -0.563 18.461 19.000 0.040 0.000 0.815 130 A HN 0.496 nan 8.150 nan 0.000 0.443 131 E N -0.096 120.120 120.200 0.027 0.000 2.110 131 E HA -0.150 4.201 4.350 0.002 0.000 0.193 131 E C 1.868 178.480 176.600 0.020 0.000 0.988 131 E CA 1.059 57.473 56.400 0.023 0.000 0.804 131 E CB -0.204 29.504 29.700 0.015 0.000 0.745 131 E HN 0.626 nan 8.360 nan 0.000 0.458 132 L N 0.308 121.533 121.223 0.004 0.000 2.056 132 L HA -0.110 4.231 4.340 0.002 0.000 0.207 132 L C 2.684 179.552 176.870 -0.003 0.000 1.078 132 L CA 1.003 55.830 54.840 -0.022 0.000 0.749 132 L CB -0.471 41.557 42.059 -0.051 0.000 0.901 132 L HN 0.215 nan 8.230 nan 0.000 0.433 133 A N -0.783 122.054 122.820 0.028 0.000 1.908 133 A HA -0.262 4.059 4.320 0.002 0.000 0.218 133 A C 2.551 180.280 177.584 0.242 0.000 1.181 133 A CA 2.202 54.325 52.037 0.142 0.000 0.627 133 A CB -0.807 18.312 19.000 0.197 0.000 0.818 133 A HN 0.376 nan 8.150 nan 0.000 0.445 134 S N -0.466 115.316 115.700 0.136 0.000 2.356 134 S HA -0.069 4.402 4.470 0.002 0.000 0.223 134 S C 2.219 176.874 174.600 0.092 0.000 1.032 134 S CA 1.711 59.974 58.200 0.104 0.000 1.005 134 S CB -0.550 62.688 63.200 0.063 0.000 0.867 134 S HN 0.869 nan 8.310 nan 0.000 0.449 135 A N 1.926 124.786 122.820 0.066 0.000 1.908 135 A HA -0.013 4.308 4.320 0.002 0.000 0.218 135 A C 2.166 179.792 177.584 0.070 0.000 1.181 135 A CA 1.489 53.555 52.037 0.048 0.000 0.627 135 A CB -0.862 18.148 19.000 0.017 0.000 0.818 135 A HN 0.522 nan 8.150 nan 0.000 0.445 136 L N -0.324 120.959 121.223 0.100 0.000 2.012 136 L HA -0.161 4.180 4.340 0.002 0.000 0.210 136 L C 2.580 179.571 176.870 0.203 0.000 1.073 136 L CA 1.581 56.515 54.840 0.156 0.000 0.748 136 L CB -1.412 40.775 42.059 0.213 0.000 0.891 136 L HN 0.412 nan 8.230 nan 0.000 0.431 137 L N -0.754 120.596 121.223 0.212 0.000 2.046 137 L HA -0.253 4.088 4.340 0.002 0.000 0.208 137 L C 2.248 179.151 176.870 0.054 0.000 1.077 137 L CA 1.177 56.071 54.840 0.091 0.000 0.747 137 L CB -0.592 41.483 42.059 0.026 0.000 0.896 137 L HN 0.253 nan 8.230 nan 0.000 0.432 138 D N 0.103 120.538 120.400 0.058 0.000 2.116 138 D HA -0.194 4.447 4.640 0.002 0.000 0.193 138 D C 2.290 178.615 176.300 0.041 0.000 0.998 138 D CA 1.327 55.352 54.000 0.040 0.000 0.836 138 D CB -0.091 40.733 40.800 0.039 0.000 0.951 138 D HN 0.337 nan 8.370 nan 0.000 0.449 139 R N -0.152 120.382 120.500 0.056 0.000 2.073 139 R HA -0.010 4.331 4.340 0.002 0.000 0.229 139 R C 2.295 178.626 176.300 0.052 0.000 1.120 139 R CA 0.392 56.526 56.100 0.056 0.000 0.967 139 R CB -0.579 29.763 30.300 0.071 0.000 0.862 139 R HN 0.128 nan 8.270 nan 0.000 0.436 140 L N 1.637 122.896 121.223 0.061 0.000 2.079 140 L HA -0.139 4.202 4.340 0.002 0.000 0.210 140 L C 2.217 179.099 176.870 0.020 0.000 1.081 140 L CA 1.653 56.521 54.840 0.047 0.000 0.752 140 L CB -0.243 41.842 42.059 0.043 0.000 0.896 140 L HN 0.052 nan 8.230 nan 0.000 0.433 141 R N -0.474 120.035 120.500 0.014 0.000 2.241 141 R HA 0.006 4.347 4.340 0.002 0.000 0.224 141 R C 1.528 177.834 176.300 0.010 0.000 1.101 141 R CA 1.002 57.105 56.100 0.005 0.000 0.995 141 R CB -0.813 29.490 30.300 0.005 0.000 0.870 141 R HN 0.418 nan 8.270 nan 0.000 0.463 142 A N 1.795 124.626 122.820 0.018 0.000 2.411 142 A HA 0.038 4.359 4.320 0.002 0.000 0.251 142 A C 0.046 177.641 177.584 0.018 0.000 1.317 142 A CA -0.218 51.830 52.037 0.018 0.000 0.904 142 A CB -0.059 18.955 19.000 0.022 0.000 0.993 142 A HN 0.291 nan 8.150 nan 0.000 0.504 143 Q N -0.751 119.058 119.800 0.016 0.000 2.345 143 Q HA 0.411 4.753 4.340 0.002 0.000 0.275 143 Q C 0.143 176.150 176.000 0.012 0.000 1.063 143 Q CA -1.145 54.667 55.803 0.016 0.000 0.819 143 Q CB 1.203 29.954 28.738 0.021 0.000 1.356 143 Q HN 0.365 nan 8.270 nan 0.000 0.418 144 R N 1.592 122.098 120.500 0.011 0.000 2.115 144 R HA -0.116 4.225 4.340 0.002 0.000 0.239 144 R C 0.229 176.535 176.300 0.009 0.000 1.133 144 R CA 1.214 57.319 56.100 0.009 0.000 0.935 144 R CB -0.315 29.991 30.300 0.009 0.000 0.853 144 R HN 0.501 nan 8.270 nan 0.000 0.433 145 R N 1.741 122.248 120.500 0.012 0.000 2.547 145 R HA 0.364 4.705 4.340 0.002 0.000 0.280 145 R C -2.413 173.897 176.300 0.016 0.000 1.630 145 R CA -1.619 54.489 56.100 0.014 0.000 1.470 145 R CB 1.756 32.065 30.300 0.015 0.000 1.178 145 R HN 0.265 nan 8.270 nan 0.000 0.591 146 P HA 0.021 nan 4.420 nan 0.000 0.274 146 P C -0.745 176.568 177.300 0.020 0.000 1.231 146 P CA -0.169 62.942 63.100 0.020 0.000 0.790 146 P CB 1.040 32.749 31.700 0.016 0.000 0.951 147 D N 1.864 122.282 120.400 0.029 0.000 2.373 147 D HA 0.138 4.780 4.640 0.002 0.000 0.227 147 D C 1.236 177.560 176.300 0.041 0.000 1.091 147 D CA -0.426 53.590 54.000 0.026 0.000 0.840 147 D CB 0.728 41.544 40.800 0.027 0.000 1.060 147 D HN 0.211 nan 8.370 nan 0.000 0.502 148 L N 3.096 124.334 121.223 0.026 0.000 2.275 148 L HA -0.104 4.237 4.340 0.002 0.000 0.215 148 L C 2.104 179.035 176.870 0.100 0.000 1.119 148 L CA 0.364 55.238 54.840 0.057 0.000 0.790 148 L CB 0.017 42.078 42.059 0.003 0.000 0.919 148 L HN 0.335 nan 8.230 nan 0.000 0.443 149 V N -0.001 119.939 119.914 0.043 0.000 2.239 149 V HA -0.262 3.859 4.120 0.002 0.000 0.242 149 V C 2.396 178.530 176.094 0.067 0.000 1.038 149 V CA 2.000 64.319 62.300 0.032 0.000 1.002 149 V CB -0.373 31.436 31.823 -0.023 0.000 0.641 149 V HN 0.474 nan 8.190 nan 0.000 0.449 150 E N 0.365 120.602 120.200 0.061 0.000 2.204 150 E HA -0.136 4.215 4.350 0.002 0.000 0.194 150 E C 2.000 178.662 176.600 0.102 0.000 0.989 150 E CA 1.235 57.681 56.400 0.076 0.000 0.824 150 E CB -0.277 29.456 29.700 0.054 0.000 0.756 150 E HN 0.576 nan 8.360 nan 0.000 0.477 151 G N -1.324 107.547 108.800 0.117 0.000 2.939 151 G HA2 0.009 3.970 3.960 0.002 0.000 0.210 151 G HA3 0.009 3.970 3.960 0.002 0.000 0.210 151 G C 0.705 175.752 174.900 0.244 0.000 1.160 151 G CA 0.215 45.406 45.100 0.152 0.000 0.770 151 G HN 0.372 nan 8.290 nan 0.000 0.543 152 F N -0.853 119.120 119.950 0.037 0.000 1.781 152 F HA 0.369 4.897 4.527 0.002 0.000 0.267 152 F C 2.190 178.012 175.800 0.036 0.000 1.142 152 F CA 0.730 58.749 58.000 0.031 0.000 1.284 152 F CB -0.319 38.690 39.000 0.016 0.000 1.728 152 F HN 0.029 nan 8.300 nan 0.000 0.437 153 A N 0.927 123.846 122.820 0.166 0.000 1.933 153 A HA 0.060 4.381 4.320 0.002 0.000 0.218 153 A C 2.146 179.722 177.584 -0.015 0.000 1.175 153 A CA 2.263 54.330 52.037 0.049 0.000 0.628 153 A CB -1.391 17.664 19.000 0.092 0.000 0.814 153 A HN 0.562 nan 8.150 nan 0.000 0.444 154 A N -0.052 122.791 122.820 0.038 0.000 1.874 154 A HA 0.053 4.374 4.320 0.002 0.000 0.214 154 A C 0.366 178.038 177.584 0.146 0.000 1.189 154 A CA 1.363 53.477 52.037 0.128 0.000 0.615 154 A CB -1.199 17.910 19.000 0.183 0.000 0.830 154 A HN 0.498 nan 8.150 nan 0.000 0.443 155 P HA -0.086 nan 4.420 nan 0.000 0.225 155 P C 1.736 179.015 177.300 -0.035 0.000 1.156 155 P CA 0.594 63.748 63.100 0.091 0.000 0.787 155 P CB -0.054 31.735 31.700 0.149 0.000 0.802 156 L N 0.175 121.298 121.223 -0.167 0.000 1.994 156 L HA -0.054 4.287 4.340 0.002 0.000 0.208 156 L C -0.532 176.276 176.870 -0.104 0.000 1.071 156 L CA 2.439 57.137 54.840 -0.237 0.000 0.745 156 L CB -1.784 39.994 42.059 -0.468 0.000 0.892 156 L HN 0.016 nan 8.230 nan 0.000 0.431 157 P HA -0.171 nan 4.420 nan 0.000 0.217 157 P C 1.855 179.172 177.300 0.028 0.000 1.150 157 P CA 1.245 64.345 63.100 0.000 0.000 0.832 157 P CB 0.022 31.738 31.700 0.027 0.000 0.787 158 I N -1.134 119.468 120.570 0.053 0.000 2.179 158 I HA -0.203 3.968 4.170 0.002 0.000 0.242 158 I C 2.317 178.480 176.117 0.076 0.000 1.088 158 I CA 1.650 62.996 61.300 0.075 0.000 1.357 158 I CB -1.436 36.622 38.000 0.096 0.000 1.051 158 I HN -0.004 nan 8.210 nan 0.000 0.409 159 L N -0.027 121.218 121.223 0.035 0.000 2.083 159 L HA -0.179 4.162 4.340 0.002 0.000 0.209 159 L C 2.614 179.491 176.870 0.013 0.000 1.083 159 L CA 0.810 55.652 54.840 0.003 0.000 0.752 159 L CB -0.449 41.551 42.059 -0.097 0.000 0.899 159 L HN 0.038 nan 8.230 nan 0.000 0.433 160 V N -0.487 119.431 119.914 0.006 0.000 2.323 160 V HA -0.254 3.867 4.120 0.002 0.000 0.244 160 V C 2.243 178.366 176.094 0.048 0.000 1.041 160 V CA 1.534 63.844 62.300 0.018 0.000 1.025 160 V CB -0.262 31.567 31.823 0.010 0.000 0.656 160 V HN 0.274 nan 8.190 nan 0.000 0.451 161 I N 0.015 120.623 120.570 0.063 0.000 2.493 161 I HA -0.149 4.022 4.170 0.002 0.000 0.254 161 I C 2.405 178.585 176.117 0.104 0.000 1.160 161 I CA 1.313 62.666 61.300 0.088 0.000 1.445 161 I CB -0.263 37.784 38.000 0.078 0.000 1.086 161 I HN 0.167 nan 8.210 nan 0.000 0.433 162 S N 0.290 116.058 115.700 0.113 0.000 2.402 162 S HA -0.029 4.443 4.470 0.002 0.000 0.229 162 S C 2.090 176.758 174.600 0.112 0.000 1.021 162 S CA 1.033 59.322 58.200 0.148 0.000 0.974 162 S CB -0.341 62.952 63.200 0.155 0.000 0.800 162 S HN 0.623 nan 8.310 nan 0.000 0.484 163 A N 0.401 123.265 122.820 0.073 0.000 2.067 163 A HA 0.170 4.492 4.320 0.002 0.000 0.217 163 A C 1.852 179.458 177.584 0.036 0.000 1.156 163 A CA 0.598 52.664 52.037 0.049 0.000 0.683 163 A CB -0.256 18.762 19.000 0.030 0.000 0.808 163 A HN 0.404 nan 8.150 nan 0.000 0.455 164 L N -0.918 120.329 121.223 0.039 0.000 2.341 164 L HA 0.232 4.573 4.340 0.002 0.000 0.214 164 L C 1.692 178.565 176.870 0.006 0.000 1.115 164 L CA 1.261 56.103 54.840 0.003 0.000 0.820 164 L CB -0.271 41.790 42.059 0.004 0.000 0.944 164 L HN 0.368 nan 8.230 nan 0.000 0.452 165 L N -1.425 119.835 121.223 0.062 0.000 2.616 165 L HA 0.330 4.672 4.340 0.002 0.000 0.229 165 L C 1.393 178.324 176.870 0.102 0.000 1.110 165 L CA 0.577 55.472 54.840 0.093 0.000 0.884 165 L CB -0.176 41.992 42.059 0.182 0.000 1.115 165 L HN 0.381 nan 8.230 nan 0.000 0.481 166 G N 1.150 109.999 108.800 0.082 0.000 2.143 166 G HA2 -0.272 3.689 3.960 0.002 0.000 0.248 166 G HA3 -0.272 3.689 3.960 0.002 0.000 0.248 166 G C 0.297 175.250 174.900 0.090 0.000 0.991 166 G CA -0.101 45.040 45.100 0.068 0.000 0.689 166 G HN 0.265 nan 8.290 nan 0.000 0.522 167 I N 1.118 121.771 120.570 0.139 0.000 2.779 167 I HA 0.234 4.405 4.170 0.002 0.000 0.285 167 I C -1.546 174.652 176.117 0.134 0.000 1.134 167 I CA -1.982 59.420 61.300 0.170 0.000 1.398 167 I CB 0.691 38.860 38.000 0.281 0.000 1.404 167 I HN -0.104 nan 8.210 nan 0.000 0.587 168 P HA 0.046 nan 4.420 nan 0.000 0.271 168 P C 0.331 177.711 177.300 0.133 0.000 1.220 168 P CA -0.060 63.103 63.100 0.104 0.000 0.768 168 P CB 0.679 32.429 31.700 0.084 0.000 0.848 169 E N 2.214 122.478 120.200 0.106 0.000 2.097 169 E HA -0.282 4.070 4.350 0.002 0.000 0.196 169 E C 0.924 177.645 176.600 0.201 0.000 1.000 169 E CA 1.505 57.974 56.400 0.115 0.000 0.804 169 E CB 0.079 29.816 29.700 0.061 0.000 0.740 169 E HN 0.450 nan 8.360 nan 0.000 0.454 170 E N 0.772 121.071 120.200 0.164 0.000 2.331 170 E HA -0.174 4.177 4.350 0.002 0.000 0.199 170 E C 1.094 177.787 176.600 0.156 0.000 1.008 170 E CA 1.225 57.729 56.400 0.173 0.000 0.843 170 E CB -0.084 29.670 29.700 0.091 0.000 0.761 170 E HN 0.330 nan 8.360 nan 0.000 0.507 171 D N -0.215 120.286 120.400 0.168 0.000 2.349 171 D HA -0.085 4.556 4.640 0.002 0.000 0.224 171 D C 1.585 177.978 176.300 0.156 0.000 1.029 171 D CA 0.460 54.555 54.000 0.158 0.000 0.879 171 D CB -0.355 40.572 40.800 0.212 0.000 0.906 171 D HN 0.497 nan 8.370 nan 0.000 0.528 172 H N 0.264 119.395 119.070 0.103 0.000 2.422 172 H HA -0.078 4.479 4.556 0.002 0.000 0.298 172 H C 1.037 176.396 175.328 0.051 0.000 1.098 172 H CA 1.581 57.673 56.048 0.073 0.000 1.315 172 H CB -0.546 29.248 29.762 0.053 0.000 1.382 172 H HN -0.025 nan 8.280 nan 0.000 0.523 173 T N 0.071 114.237 114.554 -0.647 0.000 2.812 173 T HA -0.130 4.221 4.350 0.002 0.000 0.264 173 T C 1.674 176.283 174.700 -0.152 0.000 1.042 173 T CA 1.099 62.942 62.100 -0.427 0.000 1.140 173 T CB -0.556 68.082 68.868 -0.383 0.000 0.870 173 T HN 0.556 nan 8.240 nan 0.000 0.445 174 W N 1.681 122.839 121.300 -0.237 0.000 2.379 174 W HA -0.002 4.659 4.660 0.002 0.000 0.307 174 W C 1.651 178.020 176.519 -0.250 0.000 1.200 174 W CA 0.349 57.562 57.345 -0.221 0.000 1.297 174 W CB -0.528 28.804 29.460 -0.215 0.000 1.140 174 W HN -0.011 nan 8.180 nan 0.000 0.507 175 L N 1.296 122.440 121.223 -0.132 0.000 2.013 175 L HA -0.235 4.107 4.340 0.002 0.000 0.212 175 L C 2.693 179.420 176.870 -0.238 0.000 1.073 175 L CA 1.858 56.561 54.840 -0.228 0.000 0.753 175 L CB -1.788 40.304 42.059 0.056 0.000 0.890 175 L HN 0.054 nan 8.230 nan 0.000 0.432 176 R N -0.544 119.836 120.500 -0.200 0.000 2.073 176 R HA -0.122 4.219 4.340 0.002 0.000 0.234 176 R C 2.117 178.238 176.300 -0.298 0.000 1.134 176 R CA 1.497 57.443 56.100 -0.257 0.000 0.952 176 R CB -0.486 29.719 30.300 -0.159 0.000 0.850 176 R HN 0.392 nan 8.270 nan 0.000 0.433 177 A N 1.545 124.179 122.820 -0.310 0.000 1.917 177 A HA -0.193 4.129 4.320 0.002 0.000 0.219 177 A C 1.899 179.263 177.584 -0.366 0.000 1.182 177 A CA 1.734 53.589 52.037 -0.303 0.000 0.633 177 A CB -0.559 18.250 19.000 -0.318 0.000 0.819 177 A HN 0.387 nan 8.150 nan 0.000 0.448 178 N N -0.019 118.324 118.700 -0.596 0.000 2.270 178 N HA -0.053 4.688 4.740 0.002 0.000 0.181 178 N C 1.929 177.371 175.510 -0.114 0.000 1.016 178 N CA 1.202 53.878 53.050 -0.624 0.000 0.870 178 N CB -0.335 37.232 38.487 -1.534 0.000 0.979 178 N HN 0.492 nan 8.380 nan 0.000 0.431 179 A N 0.968 123.801 122.820 0.021 0.000 1.902 179 A HA -0.073 4.248 4.320 0.002 0.000 0.217 179 A C 2.512 180.089 177.584 -0.012 0.000 1.181 179 A CA 1.124 53.196 52.037 0.058 0.000 0.623 179 A CB -0.717 18.143 19.000 -0.233 0.000 0.818 179 A HN 0.083 nan 8.150 nan 0.000 0.443 180 V N -0.133 119.727 119.914 -0.091 0.000 2.343 180 V HA -0.247 3.874 4.120 0.002 0.000 0.247 180 V C 3.052 179.139 176.094 -0.011 0.000 1.051 180 V CA 1.914 64.216 62.300 0.003 0.000 1.036 180 V CB -1.221 30.593 31.823 -0.014 0.000 0.654 180 V HN 0.622 nan 8.190 nan 0.000 0.451 181 A N -0.500 122.285 122.820 -0.057 0.000 1.877 181 A HA -0.192 4.129 4.320 0.002 0.000 0.216 181 A C 2.275 179.849 177.584 -0.017 0.000 1.186 181 A CA 1.884 53.887 52.037 -0.057 0.000 0.620 181 A CB -0.640 18.293 19.000 -0.111 0.000 0.822 181 A HN 0.464 nan 8.150 nan 0.000 0.443 182 L N -0.451 120.795 121.223 0.039 0.000 2.081 182 L HA -0.298 4.043 4.340 0.002 0.000 0.212 182 L C 2.823 179.710 176.870 0.029 0.000 1.080 182 L CA 1.802 56.689 54.840 0.077 0.000 0.754 182 L CB -0.422 41.754 42.059 0.194 0.000 0.893 182 L HN 0.555 nan 8.230 nan 0.000 0.433 183 Q N -0.757 119.060 119.800 0.029 0.000 2.291 183 Q HA -0.275 4.066 4.340 0.002 0.000 0.206 183 Q C 1.866 177.847 176.000 -0.032 0.000 0.976 183 Q CA 1.281 57.087 55.803 0.006 0.000 0.875 183 Q CB -0.036 28.717 28.738 0.026 0.000 0.927 183 Q HN 0.453 nan 8.270 nan 0.000 0.450 184 E N 0.849 121.019 120.200 -0.051 0.000 2.097 184 E HA -0.184 4.167 4.350 0.002 0.000 0.196 184 E C 1.426 177.912 176.600 -0.191 0.000 1.000 184 E CA 1.478 57.822 56.400 -0.094 0.000 0.804 184 E CB -0.099 29.548 29.700 -0.089 0.000 0.740 184 E HN 0.394 nan 8.360 nan 0.000 0.454 185 A N -0.030 122.648 122.820 -0.237 0.000 2.278 185 A HA 0.120 4.441 4.320 0.002 0.000 0.212 185 A C 0.999 178.430 177.584 -0.255 0.000 1.213 185 A CA 0.119 51.895 52.037 -0.435 0.000 0.840 185 A CB -0.102 18.654 19.000 -0.406 0.000 0.866 185 A HN 0.128 nan 8.150 nan 0.000 0.489 186 S N 0.211 115.841 115.700 -0.115 0.000 2.549 186 S HA 0.143 4.615 4.470 0.002 0.000 0.286 186 S C 1.535 176.138 174.600 0.005 0.000 1.314 186 S CA 0.468 58.660 58.200 -0.013 0.000 1.062 186 S CB 0.435 63.656 63.200 0.034 0.000 0.865 186 S HN 0.570 nan 8.310 nan 0.000 0.498 187 T N 1.870 116.462 114.554 0.063 0.000 3.072 187 T HA -0.062 4.289 4.350 0.002 0.000 0.266 187 T C 1.725 176.483 174.700 0.096 0.000 1.127 187 T CA 1.170 63.318 62.100 0.080 0.000 1.107 187 T CB -0.643 68.288 68.868 0.105 0.000 0.910 187 T HN 0.816 nan 8.240 nan 0.000 0.513 188 T N 0.002 114.630 114.554 0.123 0.000 3.129 188 T HA 0.211 4.562 4.350 0.002 0.000 0.251 188 T C 0.637 175.380 174.700 0.071 0.000 1.117 188 T CA -0.690 61.480 62.100 0.116 0.000 1.034 188 T CB -0.135 68.859 68.868 0.210 0.000 0.968 188 T HN 0.635 nan 8.240 nan 0.000 0.526 189 R N -0.569 119.962 120.500 0.051 0.000 2.906 189 R HA 0.852 5.193 4.340 0.002 0.000 0.258 189 R C -0.357 175.952 176.300 0.016 0.000 1.156 189 R CA -1.065 55.052 56.100 0.029 0.000 0.996 189 R CB 0.632 30.947 30.300 0.025 0.000 1.259 189 R HN 0.017 nan 8.270 nan 0.000 0.462 195 G N 0.008 108.841 108.800 0.055 0.000 2.433 195 G HA2 -0.204 3.757 3.960 0.002 0.000 0.216 195 G HA3 -0.204 3.757 3.960 0.002 0.000 0.216 195 G C 0.967 175.814 174.900 -0.088 0.000 1.186 195 G CA 1.206 46.274 45.100 -0.054 0.000 0.779 195 G HN 0.321 nan 8.290 nan 0.000 0.543 196 Y N 1.466 121.763 120.300 -0.005 0.000 2.333 196 Y HA 0.082 4.633 4.550 0.002 0.000 0.290 196 Y C 3.086 178.980 175.900 -0.009 0.000 1.144 196 Y CA 0.560 58.654 58.100 -0.010 0.000 1.228 196 Y CB -0.397 38.054 38.460 -0.015 0.000 0.985 196 Y HN 0.275 nan 8.280 nan 0.000 0.542 197 A N 0.858 123.767 122.820 0.148 0.000 1.851 197 A HA -0.230 4.091 4.320 0.002 0.000 0.216 197 A C 2.331 179.938 177.584 0.040 0.000 1.195 197 A CA 1.938 54.022 52.037 0.078 0.000 0.622 197 A CB -0.621 18.413 19.000 0.058 0.000 0.831 197 A HN 0.392 nan 8.150 nan 0.000 0.444 198 R N -0.564 119.946 120.500 0.016 0.000 2.091 198 R HA -0.106 4.235 4.340 0.002 0.000 0.238 198 R C 2.474 178.763 176.300 -0.018 0.000 1.136 198 R CA 1.275 57.367 56.100 -0.013 0.000 0.959 198 R CB -0.593 29.691 30.300 -0.027 0.000 0.856 198 R HN 0.527 nan 8.270 nan 0.000 0.437 199 A N 1.341 124.153 122.820 -0.014 0.000 1.902 199 A HA -0.219 4.102 4.320 0.002 0.000 0.217 199 A C 2.093 179.695 177.584 0.029 0.000 1.181 199 A CA 1.636 53.670 52.037 -0.005 0.000 0.623 199 A CB -0.337 18.635 19.000 -0.047 0.000 0.818 199 A HN 0.247 nan 8.150 nan 0.000 0.443 200 E N 0.387 120.614 120.200 0.045 0.000 2.077 200 E HA -0.052 4.300 4.350 0.002 0.000 0.193 200 E C 2.014 178.639 176.600 0.042 0.000 0.989 200 E CA 1.605 58.037 56.400 0.054 0.000 0.800 200 E CB -0.528 29.211 29.700 0.064 0.000 0.746 200 E HN 0.448 nan 8.360 nan 0.000 0.452 201 A N 0.933 123.766 122.820 0.022 0.000 1.877 201 A HA -0.077 4.244 4.320 0.002 0.000 0.216 201 A C 2.483 180.054 177.584 -0.022 0.000 1.186 201 A CA 2.406 54.446 52.037 0.005 0.000 0.620 201 A CB -1.188 17.805 19.000 -0.011 0.000 0.822 201 A HN 0.393 nan 8.150 nan 0.000 0.443 202 A N -0.680 122.106 122.820 -0.056 0.000 1.877 202 A HA -0.091 4.231 4.320 0.002 0.000 0.216 202 A C 2.459 180.047 177.584 0.008 0.000 1.186 202 A CA 2.152 54.099 52.037 -0.151 0.000 0.620 202 A CB -1.035 17.901 19.000 -0.106 0.000 0.822 202 A HN 0.456 nan 8.150 nan 0.000 0.443 203 S N -0.340 115.447 115.700 0.145 0.000 2.365 203 S HA -0.256 4.215 4.470 0.002 0.000 0.225 203 S C 2.134 176.866 174.600 0.221 0.000 1.039 203 S CA 1.823 60.165 58.200 0.237 0.000 1.033 203 S CB -0.372 62.903 63.200 0.126 0.000 0.887 203 S HN 0.706 nan 8.310 nan 0.000 0.447 204 Q N 0.298 120.178 119.800 0.133 0.000 2.119 204 Q HA -0.076 4.265 4.340 0.002 0.000 0.201 204 Q C 2.234 178.331 176.000 0.161 0.000 0.972 204 Q CA 0.865 56.747 55.803 0.132 0.000 0.847 204 Q CB -0.083 28.707 28.738 0.086 0.000 0.903 204 Q HN 0.442 nan 8.270 nan 0.000 0.433 205 E N 0.098 120.363 120.200 0.108 0.000 2.077 205 E HA -0.153 4.198 4.350 0.002 0.000 0.193 205 E C 1.784 178.546 176.600 0.269 0.000 0.989 205 E CA 1.011 57.497 56.400 0.144 0.000 0.800 205 E CB -0.098 29.580 29.700 -0.037 0.000 0.746 205 E HN 0.294 nan 8.360 nan 0.000 0.452 206 F N 1.306 121.407 119.950 0.251 0.000 2.113 206 F HA -0.135 4.393 4.527 0.002 0.000 0.297 206 F C 2.681 178.766 175.800 0.475 0.000 1.103 206 F CA 1.258 59.474 58.000 0.361 0.000 1.248 206 F CB -1.014 38.190 39.000 0.339 0.000 0.999 206 F HN -0.032 nan 8.300 nan 0.000 0.475 207 T N -0.141 114.737 114.554 0.540 0.000 2.635 207 T HA -0.280 4.071 4.350 0.002 0.000 0.267 207 T C 2.128 177.032 174.700 0.340 0.000 1.040 207 T CA 1.812 64.152 62.100 0.401 0.000 1.156 207 T CB -0.397 68.627 68.868 0.260 0.000 0.863 207 T HN 0.139 nan 8.240 nan 0.000 0.430 208 R N -0.520 120.146 120.500 0.277 0.000 2.091 208 R HA -0.154 4.187 4.340 0.002 0.000 0.238 208 R C 2.323 178.744 176.300 0.201 0.000 1.136 208 R CA 1.442 57.661 56.100 0.197 0.000 0.959 208 R CB -0.500 29.893 30.300 0.156 0.000 0.856 208 R HN 0.494 nan 8.270 nan 0.000 0.437 209 Y N 0.156 120.537 120.300 0.135 0.000 2.070 209 Y HA -0.245 4.306 4.550 0.002 0.000 0.280 209 Y C 1.708 177.594 175.900 -0.024 0.000 1.148 209 Y CA 2.072 60.176 58.100 0.007 0.000 1.125 209 Y CB -0.541 37.951 38.460 0.053 0.000 0.975 209 Y HN 0.010 nan 8.280 nan 0.000 0.492 210 F N -0.195 119.947 119.950 0.320 0.000 2.325 210 F HA -0.048 4.481 4.527 0.002 0.000 0.299 210 F C 2.546 178.387 175.800 0.070 0.000 1.090 210 F CA 1.430 59.529 58.000 0.165 0.000 1.392 210 F CB -0.555 38.611 39.000 0.276 0.000 1.053 210 F HN -0.073 nan 8.300 nan 0.000 0.521 211 R N 0.295 120.949 120.500 0.256 0.000 2.096 211 R HA -0.057 4.284 4.340 0.002 0.000 0.235 211 R C 2.225 178.568 176.300 0.072 0.000 1.127 211 R CA 1.154 57.346 56.100 0.153 0.000 0.968 211 R CB -0.154 30.226 30.300 0.132 0.000 0.861 211 R HN 0.122 nan 8.270 nan 0.000 0.440 212 R N -0.591 119.918 120.500 0.016 0.000 2.148 212 R HA -0.098 4.243 4.340 0.002 0.000 0.227 212 R C 1.858 178.112 176.300 -0.077 0.000 1.103 212 R CA 1.213 57.284 56.100 -0.047 0.000 0.983 212 R CB -0.063 30.177 30.300 -0.100 0.000 0.874 212 R HN 0.128 nan 8.270 nan 0.000 0.451 213 E N 0.495 120.639 120.200 -0.094 0.000 2.046 213 E HA -0.134 4.217 4.350 0.002 0.000 0.190 213 E C 1.946 178.557 176.600 0.017 0.000 0.982 213 E CA 1.207 57.564 56.400 -0.072 0.000 0.800 213 E CB -0.154 29.518 29.700 -0.046 0.000 0.756 213 E HN 0.165 nan 8.360 nan 0.000 0.449 214 V N -0.041 119.914 119.914 0.068 0.000 2.392 214 V HA -0.163 3.958 4.120 0.002 0.000 0.249 214 V C 0.476 176.589 176.094 0.030 0.000 1.059 214 V CA 1.760 64.096 62.300 0.060 0.000 1.051 214 V CB -0.437 31.430 31.823 0.074 0.000 0.658 214 V HN 0.033 nan 8.190 nan 0.000 0.455 225 L N 0.963 122.161 121.223 -0.042 0.000 2.131 225 L HA 0.136 4.477 4.340 0.002 0.000 0.210 225 L C 1.592 178.439 176.870 -0.039 0.000 1.092 225 L CA 1.646 56.440 54.840 -0.076 0.000 0.759 225 L CB -0.471 41.526 42.059 -0.103 0.000 0.903 225 L HN 0.223 nan 8.230 nan 0.000 0.435 226 L N -1.592 119.630 121.223 -0.002 0.000 2.072 226 L HA -0.176 4.165 4.340 0.002 0.000 0.205 226 L C 2.278 179.155 176.870 0.012 0.000 1.079 226 L CA 1.494 56.346 54.840 0.022 0.000 0.752 226 L CB -0.429 41.671 42.059 0.068 0.000 0.906 226 L HN 0.259 nan 8.230 nan 0.000 0.436 227 T N 0.334 114.892 114.554 0.006 0.000 2.635 227 T HA -0.238 4.113 4.350 0.002 0.000 0.267 227 T C 1.873 176.569 174.700 -0.006 0.000 1.040 227 T CA 1.264 63.365 62.100 0.001 0.000 1.156 227 T CB -0.266 68.600 68.868 -0.004 0.000 0.863 227 T HN 0.120 nan 8.240 nan 0.000 0.430 228 L N 0.835 122.046 121.223 -0.019 0.000 2.042 228 L HA -0.042 4.299 4.340 0.002 0.000 0.210 228 L C 2.296 179.155 176.870 -0.019 0.000 1.076 228 L CA 1.618 56.442 54.840 -0.026 0.000 0.749 228 L CB -1.054 40.977 42.059 -0.047 0.000 0.893 228 L HN 0.303 nan 8.230 nan 0.000 0.432 229 L N -1.212 120.001 121.223 -0.016 0.000 2.156 229 L HA -0.115 4.226 4.340 0.002 0.000 0.208 229 L C 2.497 179.371 176.870 0.007 0.000 1.095 229 L CA 1.025 55.861 54.840 -0.006 0.000 0.770 229 L CB -0.390 41.664 42.059 -0.008 0.000 0.914 229 L HN 0.074 nan 8.230 nan 0.000 0.439 230 V N -0.490 119.430 119.914 0.010 0.000 3.041 230 V HA -0.158 3.963 4.120 0.002 0.000 0.260 230 V C 2.498 178.599 176.094 0.011 0.000 1.105 230 V CA 0.829 63.139 62.300 0.016 0.000 1.125 230 V CB -0.161 31.674 31.823 0.021 0.000 0.730 230 V HN 0.338 nan 8.190 nan 0.000 0.479 231 R N 0.658 121.161 120.500 0.004 0.000 2.189 231 R HA 0.204 4.545 4.340 0.002 0.000 0.218 231 R C 1.230 177.531 176.300 0.003 0.000 1.074 231 R CA 0.805 56.906 56.100 0.002 0.000 0.991 231 R CB -0.603 29.695 30.300 -0.004 0.000 0.883 231 R HN 0.558 nan 8.270 nan 0.000 0.457 237 S N -0.036 115.669 115.700 0.008 0.000 2.561 237 S HA 0.795 5.266 4.470 0.002 0.000 0.282 237 S C -2.224 172.383 174.600 0.013 0.000 1.123 237 S CA -0.794 57.412 58.200 0.009 0.000 1.011 237 S CB 1.272 64.478 63.200 0.010 0.000 1.244 237 S HN 0.368 nan 8.310 nan 0.000 0.503 238 P HA 0.628 nan 4.420 nan 0.000 0.266 238 P C -1.831 175.488 177.300 0.032 0.000 1.567 238 P CA -0.189 62.922 63.100 0.019 0.000 1.077 238 P CB 0.379 32.087 31.700 0.013 0.000 1.396 239 L N 2.099 123.342 121.223 0.033 0.000 2.787 239 L HA 0.238 4.579 4.340 0.002 0.000 0.260 239 L C -0.196 176.700 176.870 0.043 0.000 0.921 239 L CA -0.013 54.855 54.840 0.048 0.000 0.984 239 L CB 1.852 43.944 42.059 0.054 0.000 1.519 239 L HN 0.421 nan 8.230 nan 0.000 0.452 240 S N 2.337 118.067 115.700 0.051 0.000 2.614 240 S HA 0.374 4.845 4.470 0.002 0.000 0.265 240 S C 1.189 175.822 174.600 0.056 0.000 1.303 240 S CA -0.325 57.905 58.200 0.049 0.000 1.000 240 S CB 1.444 64.676 63.200 0.053 0.000 0.935 240 S HN 0.484 nan 8.310 nan 0.000 0.551 241 V N 1.084 121.030 119.914 0.054 0.000 2.490 241 V HA -0.148 3.973 4.120 0.002 0.000 0.250 241 V C 2.051 178.192 176.094 0.078 0.000 1.061 241 V CA 2.045 64.383 62.300 0.064 0.000 1.064 241 V CB -0.866 30.994 31.823 0.061 0.000 0.670 241 V HN 0.837 nan 8.190 nan 0.000 0.461 242 D N 0.377 120.823 120.400 0.076 0.000 2.117 242 D HA -0.111 4.531 4.640 0.002 0.000 0.197 242 D C 2.167 178.525 176.300 0.097 0.000 0.987 242 D CA 1.599 55.651 54.000 0.087 0.000 0.829 242 D CB -0.455 40.389 40.800 0.074 0.000 0.961 242 D HN 0.482 nan 8.370 nan 0.000 0.460 243 G N 0.669 109.525 108.800 0.093 0.000 2.402 243 G HA2 -0.160 3.801 3.960 0.002 0.000 0.216 243 G HA3 -0.160 3.801 3.960 0.002 0.000 0.216 243 G C 1.820 176.774 174.900 0.090 0.000 1.162 243 G CA 0.197 45.362 45.100 0.109 0.000 0.777 243 G HN 0.254 nan 8.290 nan 0.000 0.539 244 I N 0.375 120.984 120.570 0.066 0.000 2.179 244 I HA -0.152 4.019 4.170 0.002 0.000 0.242 244 I C 2.778 178.895 176.117 0.001 0.000 1.088 244 I CA 0.509 61.830 61.300 0.034 0.000 1.357 244 I CB -0.412 37.611 38.000 0.039 0.000 1.051 244 I HN 0.017 nan 8.210 nan 0.000 0.409 245 V N 1.297 121.238 119.914 0.044 0.000 2.233 245 V HA -0.255 3.866 4.120 0.002 0.000 0.247 245 V C 2.671 178.772 176.094 0.011 0.000 1.050 245 V CA 2.394 64.720 62.300 0.042 0.000 1.010 245 V CB -1.490 30.430 31.823 0.161 0.000 0.637 245 V HN 0.575 nan 8.190 nan 0.000 0.444 246 G N -1.101 107.772 108.800 0.121 0.000 2.469 246 G HA2 -0.281 3.681 3.960 0.002 0.000 0.220 246 G HA3 -0.281 3.681 3.960 0.002 0.000 0.220 246 G C 1.697 176.773 174.900 0.293 0.000 1.136 246 G CA 1.655 46.908 45.100 0.256 0.000 0.759 246 G HN 0.468 nan 8.290 nan 0.000 0.562 247 T N -0.091 114.533 114.554 0.118 0.000 2.777 247 T HA -0.140 4.211 4.350 0.002 0.000 0.266 247 T C 2.484 177.099 174.700 -0.141 0.000 1.040 247 T CA 1.227 63.340 62.100 0.022 0.000 1.141 247 T CB -0.408 68.469 68.868 0.015 0.000 0.868 247 T HN 0.361 nan 8.240 nan 0.000 0.444 248 C N 0.945 120.069 119.300 -0.292 0.000 2.429 248 C HA -0.019 4.442 4.460 0.002 0.000 0.277 248 C C 2.807 177.446 174.990 -0.584 0.000 1.262 248 C CA 0.312 58.971 59.018 -0.599 0.000 1.733 248 C CB -1.079 25.851 27.740 -1.349 0.000 2.010 248 C HN 0.371 nan 8.230 nan 0.000 0.483 249 V N -0.374 119.282 119.914 -0.431 0.000 2.427 249 V HA -0.236 3.885 4.120 0.002 0.000 0.248 249 V C 2.245 178.186 176.094 -0.254 0.000 1.051 249 V CA 2.259 64.402 62.300 -0.262 0.000 1.048 249 V CB -1.020 30.815 31.823 0.020 0.000 0.666 249 V HN 0.691 nan 8.190 nan 0.000 0.456 250 H N -0.147 118.583 119.070 -0.566 0.000 2.293 250 H HA -0.117 4.440 4.556 0.002 0.000 0.300 250 H C 2.337 177.256 175.328 -0.682 0.000 1.082 250 H CA 1.692 56.996 56.048 -1.240 0.000 1.308 250 H CB 0.057 28.915 29.762 -1.506 0.000 1.375 250 H HN 0.289 nan 8.280 nan 0.000 0.495 251 L N 0.305 121.292 121.223 -0.394 0.000 2.079 251 L HA -0.195 4.146 4.340 0.002 0.000 0.210 251 L C 2.665 179.427 176.870 -0.180 0.000 1.081 251 L CA 0.644 55.308 54.840 -0.293 0.000 0.752 251 L CB -0.271 41.715 42.059 -0.123 0.000 0.896 251 L HN 0.338 nan 8.230 nan 0.000 0.433 252 L N -0.188 120.941 121.223 -0.156 0.000 2.109 252 L HA -0.140 4.201 4.340 0.002 0.000 0.207 252 L C 2.489 179.304 176.870 -0.091 0.000 1.086 252 L CA 2.105 56.908 54.840 -0.063 0.000 0.760 252 L CB -0.364 41.697 42.059 0.004 0.000 0.910 252 L HN 0.359 nan 8.230 nan 0.000 0.437 253 T N -4.340 110.112 114.554 -0.170 0.000 3.060 253 T HA 0.288 4.639 4.350 0.002 0.000 0.249 253 T C 1.720 176.354 174.700 -0.111 0.000 1.079 253 T CA 0.340 62.372 62.100 -0.113 0.000 1.013 253 T CB -0.137 68.660 68.868 -0.119 0.000 0.975 253 T HN 0.255 nan 8.240 nan 0.000 0.518 254 A N 2.094 124.803 122.820 -0.184 0.000 1.858 254 A HA 0.287 4.608 4.320 0.002 0.000 0.216 254 A C 2.606 180.128 177.584 -0.104 0.000 1.190 254 A CA 1.518 53.440 52.037 -0.193 0.000 0.617 254 A CB -1.536 17.271 19.000 -0.322 0.000 0.827 254 A HN 0.569 nan 8.150 nan 0.000 0.443 255 G N -1.894 106.862 108.800 -0.073 0.000 2.422 255 G HA2 -0.252 3.709 3.960 0.002 0.000 0.218 255 G HA3 -0.252 3.709 3.960 0.002 0.000 0.218 255 G C 1.546 176.458 174.900 0.020 0.000 1.140 255 G CA 1.095 46.181 45.100 -0.023 0.000 0.775 255 G HN 0.749 nan 8.290 nan 0.000 0.545 256 H N 1.481 120.520 119.070 -0.052 0.000 2.457 256 H HA -0.042 4.516 4.556 0.002 0.000 0.294 256 H C 2.171 177.480 175.328 -0.032 0.000 1.064 256 H CA 1.565 57.592 56.048 -0.035 0.000 1.330 256 H CB 0.201 29.943 29.762 -0.035 0.000 1.395 256 H HN 0.642 nan 8.280 nan 0.000 0.541 257 E N 0.078 120.223 120.200 -0.092 0.000 2.474 257 E HA 0.010 4.361 4.350 0.002 0.000 0.195 257 E C 1.081 177.712 176.600 0.051 0.000 1.039 257 E CA 0.725 57.052 56.400 -0.121 0.000 0.881 257 E CB 0.351 29.875 29.700 -0.292 0.000 0.970 257 E HN 0.459 nan 8.360 nan 0.000 0.486 258 T N -2.880 111.697 114.554 0.038 0.000 3.409 258 T HA 0.048 4.399 4.350 0.002 0.000 0.242 258 T C 1.997 176.743 174.700 0.077 0.000 1.000 258 T CA 0.710 62.866 62.100 0.093 0.000 1.180 258 T CB -0.387 68.532 68.868 0.085 0.000 1.210 258 T HN -0.048 nan 8.240 nan 0.000 0.373 259 T N 2.723 117.311 114.554 0.058 0.000 2.699 259 T HA -0.114 4.237 4.350 0.002 0.000 0.268 259 T C 2.104 176.874 174.700 0.117 0.000 1.036 259 T CA 2.196 64.356 62.100 0.100 0.000 1.147 259 T CB -1.111 67.789 68.868 0.054 0.000 0.862 259 T HN 0.520 nan 8.240 nan 0.000 0.446 260 T N 2.613 117.179 114.554 0.020 0.000 2.665 260 T HA -0.142 4.209 4.350 0.002 0.000 0.268 260 T C 2.051 176.737 174.700 -0.024 0.000 1.035 260 T CA 1.193 63.275 62.100 -0.030 0.000 1.151 260 T CB -0.425 68.341 68.868 -0.171 0.000 0.862 260 T HN 0.369 nan 8.240 nan 0.000 0.438 261 N N 0.591 119.275 118.700 -0.026 0.000 2.166 261 N HA -0.053 4.688 4.740 0.002 0.000 0.186 261 N C 1.627 177.144 175.510 0.013 0.000 1.019 261 N CA 0.859 53.888 53.050 -0.034 0.000 0.856 261 N CB -0.504 37.985 38.487 0.004 0.000 0.993 261 N HN 0.381 nan 8.380 nan 0.000 0.426 262 F N 2.024 121.962 119.950 -0.020 0.000 2.102 262 F HA -0.074 4.454 4.527 0.002 0.000 0.298 262 F C 2.155 177.965 175.800 0.015 0.000 1.105 262 F CA 1.097 59.097 58.000 -0.000 0.000 1.239 262 F CB -0.428 38.568 39.000 -0.007 0.000 0.991 262 F HN -0.091 nan 8.300 nan 0.000 0.474 263 L N -0.065 121.144 121.223 -0.022 0.000 2.046 263 L HA -0.198 4.144 4.340 0.002 0.000 0.208 263 L C 2.819 179.612 176.870 -0.128 0.000 1.077 263 L CA 1.230 56.033 54.840 -0.061 0.000 0.747 263 L CB -1.218 40.932 42.059 0.151 0.000 0.896 263 L HN 0.278 nan 8.230 nan 0.000 0.432 264 A N 0.012 122.769 122.820 -0.104 0.000 1.898 264 A HA -0.192 4.129 4.320 0.002 0.000 0.216 264 A C 2.305 179.778 177.584 -0.184 0.000 1.181 264 A CA 1.517 53.474 52.037 -0.134 0.000 0.620 264 A CB -0.308 18.599 19.000 -0.155 0.000 0.819 264 A HN 0.305 nan 8.150 nan 0.000 0.442 265 K N -0.308 119.975 120.400 -0.195 0.000 2.217 265 K HA 0.045 4.366 4.320 0.002 0.000 0.202 265 K C 2.199 178.700 176.600 -0.166 0.000 1.051 265 K CA 0.827 57.035 56.287 -0.132 0.000 0.952 265 K CB -0.237 32.241 32.500 -0.036 0.000 0.736 265 K HN 0.443 nan 8.250 nan 0.000 0.453 266 A N 1.162 123.774 122.820 -0.347 0.000 1.930 266 A HA -0.100 4.221 4.320 0.002 0.000 0.217 266 A C 2.341 179.814 177.584 -0.184 0.000 1.175 266 A CA 1.170 52.983 52.037 -0.372 0.000 0.627 266 A CB -0.513 18.113 19.000 -0.623 0.000 0.815 266 A HN 0.050 nan 8.150 nan 0.000 0.443 267 V N 0.147 119.965 119.914 -0.160 0.000 2.427 267 V HA -0.231 3.890 4.120 0.002 0.000 0.248 267 V C 2.540 178.576 176.094 -0.097 0.000 1.051 267 V CA 1.818 64.050 62.300 -0.114 0.000 1.048 267 V CB -0.678 31.075 31.823 -0.117 0.000 0.666 267 V HN 0.561 nan 8.190 nan 0.000 0.456 268 L N -0.563 120.594 121.223 -0.109 0.000 2.027 268 L HA -0.155 4.187 4.340 0.002 0.000 0.206 268 L C 2.644 179.536 176.870 0.038 0.000 1.074 268 L CA 1.928 56.724 54.840 -0.073 0.000 0.745 268 L CB -1.038 40.993 42.059 -0.047 0.000 0.898 268 L HN 0.333 nan 8.230 nan 0.000 0.433 269 T N 0.483 115.076 114.554 0.064 0.000 2.674 269 T HA -0.172 4.179 4.350 0.002 0.000 0.265 269 T C 1.977 176.745 174.700 0.113 0.000 1.039 269 T CA 1.306 63.491 62.100 0.142 0.000 1.150 269 T CB -0.303 68.612 68.868 0.079 0.000 0.864 269 T HN 0.183 nan 8.240 nan 0.000 0.427 270 L N 0.359 121.591 121.223 0.015 0.000 2.131 270 L HA -0.069 4.272 4.340 0.002 0.000 0.210 270 L C 2.841 179.726 176.870 0.026 0.000 1.092 270 L CA 1.276 56.123 54.840 0.011 0.000 0.759 270 L CB -0.494 41.547 42.059 -0.030 0.000 0.903 270 L HN 0.182 nan 8.230 nan 0.000 0.435 271 R N -0.093 120.419 120.500 0.021 0.000 2.148 271 R HA -0.042 4.299 4.340 0.002 0.000 0.223 271 R C 2.274 178.584 176.300 0.016 0.000 1.088 271 R CA 1.104 57.224 56.100 0.032 0.000 0.985 271 R CB -0.290 30.054 30.300 0.073 0.000 0.880 271 R HN 0.312 nan 8.270 nan 0.000 0.451 272 A N 0.424 123.240 122.820 -0.006 0.000 2.123 272 A HA -0.037 4.285 4.320 0.002 0.000 0.214 272 A C 0.405 177.765 177.584 -0.373 0.000 1.152 272 A CA 0.645 52.596 52.037 -0.142 0.000 0.728 272 A CB 0.092 19.014 19.000 -0.130 0.000 0.814 272 A HN 0.244 nan 8.150 nan 0.000 0.464 273 H N -0.483 118.566 119.070 -0.036 0.000 2.336 273 H HA 0.250 4.807 4.556 0.002 0.000 0.230 273 H C 0.410 175.709 175.328 -0.049 0.000 1.426 273 H CA -0.524 55.488 56.048 -0.061 0.000 1.359 273 H CB 0.446 30.128 29.762 -0.133 0.000 1.555 273 H HN 0.239 nan 8.280 nan 0.000 0.512 274 R N 0.976 121.492 120.500 0.027 0.000 2.159 274 R HA -0.113 4.228 4.340 0.002 0.000 0.237 274 R C 1.382 177.695 176.300 0.021 0.000 1.131 274 R CA 1.131 57.242 56.100 0.018 0.000 0.982 274 R CB -0.058 30.244 30.300 0.003 0.000 0.868 274 R HN 0.662 nan 8.270 nan 0.000 0.453 275 D N 0.005 120.424 120.400 0.031 0.000 2.117 275 D HA -0.111 4.530 4.640 0.002 0.000 0.197 275 D C 1.840 178.149 176.300 0.014 0.000 0.987 275 D CA 1.017 55.032 54.000 0.025 0.000 0.829 275 D CB -0.593 40.227 40.800 0.033 0.000 0.961 275 D HN 0.063 nan 8.370 nan 0.000 0.460 276 V N 0.878 120.798 119.914 0.010 0.000 2.358 276 V HA -0.182 3.939 4.120 0.002 0.000 0.246 276 V C 2.683 178.764 176.094 -0.021 0.000 1.047 276 V CA 1.163 63.447 62.300 -0.026 0.000 1.035 276 V CB -0.756 31.021 31.823 -0.077 0.000 0.658 276 V HN 0.122 nan 8.190 nan 0.000 0.452 277 L N 0.955 122.174 121.223 -0.007 0.000 1.989 277 L HA -0.207 4.134 4.340 0.002 0.000 0.211 277 L C 2.057 178.923 176.870 -0.007 0.000 1.071 277 L CA 2.251 57.085 54.840 -0.009 0.000 0.749 277 L CB -1.033 41.024 42.059 -0.003 0.000 0.890 277 L HN 0.290 nan 8.230 nan 0.000 0.431 278 D N -0.559 119.841 120.400 -0.001 0.000 2.144 278 D HA -0.156 4.485 4.640 0.002 0.000 0.199 278 D C 2.155 178.456 176.300 0.002 0.000 0.984 278 D CA 1.133 55.133 54.000 0.001 0.000 0.834 278 D CB -0.089 40.714 40.800 0.004 0.000 0.955 278 D HN 0.468 nan 8.370 nan 0.000 0.465 279 E N 0.283 120.484 120.200 0.003 0.000 2.110 279 E HA -0.103 4.249 4.350 0.002 0.000 0.193 279 E C 2.377 178.978 176.600 0.002 0.000 0.988 279 E CA 0.213 56.617 56.400 0.007 0.000 0.804 279 E CB -0.176 29.529 29.700 0.009 0.000 0.745 279 E HN 0.341 nan 8.360 nan 0.000 0.458 280 L N 0.571 121.790 121.223 -0.006 0.000 2.046 280 L HA -0.177 4.164 4.340 0.002 0.000 0.208 280 L C 2.678 179.547 176.870 -0.000 0.000 1.077 280 L CA 1.063 55.899 54.840 -0.006 0.000 0.747 280 L CB -0.144 41.908 42.059 -0.012 0.000 0.896 280 L HN 0.077 nan 8.230 nan 0.000 0.432 281 R N -0.708 119.791 120.500 -0.002 0.000 2.091 281 R HA -0.163 4.179 4.340 0.002 0.000 0.238 281 R C 2.051 178.353 176.300 0.003 0.000 1.136 281 R CA 2.023 58.122 56.100 -0.001 0.000 0.959 281 R CB -0.566 29.732 30.300 -0.004 0.000 0.856 281 R HN 0.481 nan 8.270 nan 0.000 0.437 282 T N -3.093 111.463 114.554 0.005 0.000 3.100 282 T HA 0.050 4.402 4.350 0.002 0.000 0.253 282 T C 0.647 175.354 174.700 0.011 0.000 1.118 282 T CA 0.360 62.464 62.100 0.008 0.000 1.058 282 T CB 0.404 69.277 68.868 0.008 0.000 0.953 282 T HN -0.050 nan 8.240 nan 0.000 0.515 283 T N 2.912 117.472 114.554 0.011 0.000 3.504 283 T HA 0.354 4.705 4.350 0.002 0.000 0.286 283 T C -2.295 172.413 174.700 0.014 0.000 1.530 283 T CA -0.970 61.139 62.100 0.015 0.000 1.652 283 T CB 1.424 70.304 68.868 0.020 0.000 0.895 283 T HN -0.009 nan 8.240 nan 0.000 0.674 284 P HA -0.216 nan 4.420 nan 0.000 0.217 284 P C 1.806 179.117 177.300 0.019 0.000 1.151 284 P CA 1.062 64.171 63.100 0.016 0.000 0.849 284 P CB 0.190 31.899 31.700 0.016 0.000 0.787 285 E N 0.055 120.266 120.200 0.019 0.000 2.401 285 E HA -0.140 4.211 4.350 0.002 0.000 0.199 285 E C 1.398 178.009 176.600 0.020 0.000 1.023 285 E CA 1.635 58.047 56.400 0.020 0.000 0.859 285 E CB -1.018 28.695 29.700 0.020 0.000 0.780 285 E HN 0.363 nan 8.360 nan 0.000 0.523 286 S N 0.067 115.777 115.700 0.016 0.000 2.558 286 S HA -0.003 4.468 4.470 0.002 0.000 0.217 286 S C 1.759 176.362 174.600 0.005 0.000 0.975 286 S CA 0.571 58.776 58.200 0.007 0.000 0.912 286 S CB -0.229 62.971 63.200 -0.001 0.000 0.776 286 S HN 0.186 nan 8.310 nan 0.000 0.526 287 T N 3.818 118.382 114.554 0.017 0.000 2.653 287 T HA -0.082 4.269 4.350 0.002 0.000 0.268 287 T C -0.635 174.087 174.700 0.036 0.000 1.035 287 T CA 1.965 64.082 62.100 0.030 0.000 1.154 287 T CB -1.736 67.156 68.868 0.040 0.000 0.862 287 T HN 0.417 nan 8.240 nan 0.000 0.441 288 P HA -0.062 nan 4.420 nan 0.000 0.215 288 P C 1.597 178.914 177.300 0.028 0.000 1.157 288 P CA 1.498 64.617 63.100 0.032 0.000 0.874 288 P CB -0.240 31.475 31.700 0.025 0.000 0.790 289 A N -0.477 122.350 122.820 0.012 0.000 1.969 289 A HA -0.056 4.265 4.320 0.002 0.000 0.218 289 A C 2.270 179.844 177.584 -0.017 0.000 1.169 289 A CA 1.862 53.897 52.037 -0.005 0.000 0.635 289 A CB -1.523 17.459 19.000 -0.029 0.000 0.810 289 A HN 0.186 nan 8.150 nan 0.000 0.445 290 A N -0.503 122.308 122.820 -0.015 0.000 1.873 290 A HA -0.001 4.321 4.320 0.002 0.000 0.215 290 A C 2.203 179.820 177.584 0.055 0.000 1.186 290 A CA 1.697 53.726 52.037 -0.014 0.000 0.616 290 A CB -0.964 18.031 19.000 -0.009 0.000 0.823 290 A HN 0.363 nan 8.150 nan 0.000 0.442 291 V N 0.143 120.118 119.914 0.101 0.000 2.332 291 V HA -0.278 3.843 4.120 0.002 0.000 0.248 291 V C 2.611 178.781 176.094 0.127 0.000 1.055 291 V CA 2.552 64.964 62.300 0.186 0.000 1.038 291 V CB -0.678 31.212 31.823 0.111 0.000 0.651 291 V HN 0.777 nan 8.190 nan 0.000 0.450 292 E N 0.474 120.714 120.200 0.068 0.000 2.077 292 E HA -0.262 4.089 4.350 0.002 0.000 0.193 292 E C 2.092 178.718 176.600 0.043 0.000 0.989 292 E CA 1.758 58.192 56.400 0.057 0.000 0.800 292 E CB -0.227 29.504 29.700 0.052 0.000 0.746 292 E HN 0.608 nan 8.360 nan 0.000 0.452 293 E N -0.079 120.132 120.200 0.019 0.000 2.152 293 E HA -0.055 4.296 4.350 0.002 0.000 0.192 293 E C 1.930 178.540 176.600 0.018 0.000 0.983 293 E CA 0.899 57.284 56.400 -0.025 0.000 0.818 293 E CB -0.282 29.368 29.700 -0.084 0.000 0.758 293 E HN 0.399 nan 8.360 nan 0.000 0.467 294 L N -0.221 121.055 121.223 0.089 0.000 2.141 294 L HA -0.108 4.233 4.340 0.002 0.000 0.209 294 L C 2.406 179.470 176.870 0.324 0.000 1.094 294 L CA 1.086 56.020 54.840 0.157 0.000 0.763 294 L CB -0.347 41.814 42.059 0.169 0.000 0.908 294 L HN 0.281 nan 8.230 nan 0.000 0.437 295 M N -0.242 119.566 119.600 0.346 0.000 2.099 295 M HA -0.183 4.298 4.480 0.002 0.000 0.262 295 M C 2.378 178.711 176.300 0.056 0.000 1.067 295 M CA 1.696 57.122 55.300 0.211 0.000 1.124 295 M CB -0.413 32.166 32.600 -0.035 0.000 1.353 295 M HN 0.004 nan 8.290 nan 0.000 0.410 296 R N -1.423 119.072 120.500 -0.009 0.000 2.073 296 R HA -0.217 4.124 4.340 0.002 0.000 0.234 296 R C 2.301 178.519 176.300 -0.137 0.000 1.134 296 R CA 1.935 57.948 56.100 -0.144 0.000 0.952 296 R CB -0.862 29.252 30.300 -0.309 0.000 0.850 296 R HN 0.500 nan 8.270 nan 0.000 0.433 297 Y N 0.530 120.707 120.300 -0.205 0.000 2.128 297 Y HA -0.185 4.366 4.550 0.002 0.000 0.284 297 Y C 0.282 176.032 175.900 -0.251 0.000 1.154 297 Y CA 1.959 59.910 58.100 -0.249 0.000 1.149 297 Y CB 0.221 38.561 38.460 -0.200 0.000 0.976 297 Y HN 0.055 nan 8.280 nan 0.000 0.505 298 D N 0.266 120.682 120.400 0.028 0.000 2.586 298 D HA 0.220 4.861 4.640 0.002 0.000 0.254 298 D C -2.975 173.444 176.300 0.198 0.000 1.248 298 D CA -1.894 52.175 54.000 0.115 0.000 0.843 298 D CB 0.965 41.887 40.800 0.204 0.000 1.332 298 D HN 0.022 nan 8.370 nan 0.000 0.523 299 P HA 0.218 nan 4.420 nan 0.000 0.271 299 P C -2.137 175.226 177.300 0.106 0.000 1.218 299 P CA -1.094 62.059 63.100 0.088 0.000 0.780 299 P CB 1.464 33.145 31.700 -0.031 0.000 0.901 300 P HA -0.093 nan 4.420 nan 0.000 0.215 300 P C 0.206 177.511 177.300 0.007 0.000 1.157 300 P CA 1.146 64.301 63.100 0.091 0.000 0.863 300 P CB 0.054 31.808 31.700 0.090 0.000 0.787 301 V N 1.911 121.758 119.914 -0.112 0.000 2.364 301 V HA 0.107 4.228 4.120 0.002 0.000 0.272 301 V C 1.250 177.192 176.094 -0.254 0.000 1.036 301 V CA -0.045 62.084 62.300 -0.285 0.000 0.880 301 V CB 1.119 32.753 31.823 -0.315 0.000 0.991 301 V HN 0.033 nan 8.190 nan 0.000 0.460 302 Q N 2.996 122.625 119.800 -0.285 0.000 2.424 302 Q HA 0.372 4.713 4.340 0.002 0.000 0.204 302 Q C 0.512 176.337 176.000 -0.292 0.000 0.933 302 Q CA 0.534 56.179 55.803 -0.264 0.000 0.929 302 Q CB 1.145 29.715 28.738 -0.279 0.000 1.037 302 Q HN 0.883 nan 8.270 nan 0.000 0.511 303 A N -0.055 122.582 122.820 -0.304 0.000 2.597 303 A HA 0.579 4.900 4.320 0.002 0.000 0.292 303 A C -1.258 176.182 177.584 -0.240 0.000 1.057 303 A CA -0.590 51.292 52.037 -0.258 0.000 0.674 303 A CB 1.244 20.116 19.000 -0.215 0.000 1.278 303 A HN 0.018 nan 8.150 nan 0.000 0.416 304 V N -1.128 118.671 119.914 -0.192 0.000 2.760 304 V HA 0.930 5.051 4.120 0.002 0.000 0.309 304 V C -0.201 175.800 176.094 -0.156 0.000 1.077 304 V CA 0.163 62.372 62.300 -0.152 0.000 0.910 304 V CB 1.159 32.903 31.823 -0.132 0.000 1.008 304 V HN 1.836 nan 8.190 nan 0.000 0.424 305 T N 3.143 117.618 114.554 -0.131 0.000 2.925 305 T HA 0.826 5.178 4.350 0.002 0.000 0.285 305 T C -0.387 174.185 174.700 -0.213 0.000 1.021 305 T CA -0.663 61.311 62.100 -0.210 0.000 1.042 305 T CB 1.838 70.568 68.868 -0.231 0.000 1.037 305 T HN 0.923 nan 8.240 nan 0.000 0.481 306 R N 1.263 121.542 120.500 -0.369 0.000 2.869 306 R HA 0.516 4.858 4.340 0.002 0.000 0.263 306 R C -1.705 174.220 176.300 -0.625 0.000 1.066 306 R CA -0.668 55.246 56.100 -0.311 0.000 0.960 306 R CB 1.466 31.633 30.300 -0.222 0.000 1.221 306 R HN 0.772 nan 8.270 nan 0.000 0.474 307 W N -0.273 120.918 121.300 -0.181 0.000 2.839 307 W HA 0.602 5.263 4.660 0.001 0.000 0.334 307 W C -0.277 176.075 176.519 -0.278 0.000 1.064 307 W CA -0.672 56.589 57.345 -0.141 0.000 1.236 307 W CB 1.776 31.225 29.460 -0.017 0.000 1.405 307 W HN 0.671 nan 8.180 nan 0.000 0.478 308 A N 2.651 125.490 122.820 0.032 0.000 2.444 308 A HA 0.252 4.573 4.320 0.002 0.000 0.273 308 A C -0.362 177.312 177.584 0.151 0.000 1.136 308 A CA -0.013 52.013 52.037 -0.019 0.000 0.799 308 A CB 0.058 19.046 19.000 -0.019 0.000 1.081 308 A HN 0.709 nan 8.150 nan 0.000 0.509 309 Y N 0.586 120.935 120.300 0.080 0.000 2.490 309 Y HA 0.313 4.863 4.550 0.001 0.000 0.281 309 Y C 0.827 176.753 175.900 0.043 0.000 1.174 309 Y CA 0.226 58.366 58.100 0.067 0.000 1.295 309 Y CB 0.066 38.562 38.460 0.060 0.000 1.062 309 Y HN 0.749 nan 8.280 nan 0.000 0.522 310 E N -0.647 119.650 120.200 0.161 0.000 2.401 310 E HA 0.205 4.556 4.350 0.002 0.000 0.280 310 E C -1.642 174.984 176.600 0.043 0.000 1.039 310 E CA -0.783 55.673 56.400 0.093 0.000 0.814 310 E CB 0.956 30.706 29.700 0.082 0.000 1.275 310 E HN -0.149 nan 8.360 nan 0.000 0.448 311 D N 1.871 122.289 120.400 0.028 0.000 2.472 311 D HA 0.149 4.790 4.640 0.002 0.000 0.237 311 D C 0.186 176.473 176.300 -0.021 0.000 1.141 311 D CA 0.656 54.656 54.000 0.000 0.000 0.875 311 D CB 0.416 41.220 40.800 0.007 0.000 1.192 311 D HN 0.216 nan 8.370 nan 0.000 0.450 312 I N 1.242 121.777 120.570 -0.059 0.000 2.894 312 I HA 0.281 4.452 4.170 0.002 0.000 0.302 312 I C -0.100 175.967 176.117 -0.084 0.000 1.188 312 I CA -0.802 60.455 61.300 -0.071 0.000 1.014 312 I CB 2.018 39.960 38.000 -0.098 0.000 1.242 312 I HN 0.090 nan 8.210 nan 0.000 0.430 313 R N 3.646 124.111 120.500 -0.058 0.000 2.514 313 R HA 0.820 5.161 4.340 0.002 0.000 0.301 313 R C -1.409 174.870 176.300 -0.036 0.000 0.962 313 R CA -0.965 55.110 56.100 -0.042 0.000 0.882 313 R CB 2.201 32.487 30.300 -0.022 0.000 1.143 313 R HN 0.450 nan 8.270 nan 0.000 0.452 314 L N 0.317 121.533 121.223 -0.012 0.000 2.549 314 L HA 0.471 4.812 4.340 0.002 0.000 0.259 314 L C 0.614 177.533 176.870 0.083 0.000 0.934 314 L CA 0.797 55.643 54.840 0.010 0.000 0.865 314 L CB 2.069 44.109 42.059 -0.032 0.000 1.352 314 L HN 0.865 nan 8.230 nan 0.000 0.410 315 G N 3.487 112.334 108.800 0.078 0.000 2.591 315 G HA2 -0.354 3.607 3.960 0.002 0.000 0.298 315 G HA3 -0.354 3.607 3.960 0.002 0.000 0.298 315 G C 0.097 175.027 174.900 0.050 0.000 1.195 315 G CA 0.740 45.903 45.100 0.106 0.000 0.989 315 G HN 0.882 nan 8.290 nan 0.000 0.551 316 D N 0.100 120.501 120.400 0.003 0.000 2.462 316 D HA 0.295 4.937 4.640 0.002 0.000 0.221 316 D C 0.370 176.529 176.300 -0.236 0.000 1.173 316 D CA -0.178 53.747 54.000 -0.125 0.000 0.831 316 D CB -0.017 40.681 40.800 -0.169 0.000 1.001 316 D HN 0.592 nan 8.370 nan 0.000 0.499 317 H N 1.127 120.207 119.070 0.016 0.000 2.489 317 H HA 0.198 4.755 4.556 0.003 0.000 0.322 317 H C -0.584 174.714 175.328 -0.050 0.000 1.091 317 H CA -0.262 55.799 56.048 0.022 0.000 1.291 317 H CB 1.626 31.439 29.762 0.085 0.000 1.436 317 H HN 0.091 nan 8.280 nan 0.000 0.480 318 D N 4.728 125.171 120.400 0.070 0.000 2.456 318 D HA 0.119 4.761 4.640 0.002 0.000 0.219 318 D C -0.134 176.141 176.300 -0.041 0.000 1.126 318 D CA -0.416 53.587 54.000 0.006 0.000 0.890 318 D CB -0.057 40.757 40.800 0.023 0.000 1.025 318 D HN 0.428 nan 8.370 nan 0.000 0.511 319 I N 5.198 125.656 120.570 -0.187 0.000 2.322 319 I HA 0.185 4.356 4.170 0.002 0.000 0.292 319 I C -2.007 174.017 176.117 -0.155 0.000 1.060 319 I CA -1.871 59.200 61.300 -0.382 0.000 1.309 319 I CB 1.060 38.678 38.000 -0.637 0.000 1.415 319 I HN 0.099 nan 8.210 nan 0.000 0.492 320 P HA 0.022 nan 4.420 nan 0.000 0.269 320 P C -0.400 176.922 177.300 0.037 0.000 1.215 320 P CA -0.516 62.599 63.100 0.026 0.000 0.780 320 P CB 0.456 32.204 31.700 0.080 0.000 0.898 321 R N 2.131 122.665 120.500 0.057 0.000 2.446 321 R HA 0.270 4.611 4.340 0.002 0.000 0.325 321 R C 0.818 177.196 176.300 0.130 0.000 0.997 321 R CA 1.105 57.259 56.100 0.090 0.000 1.010 321 R CB -1.330 29.024 30.300 0.090 0.000 0.946 321 R HN 0.845 nan 8.270 nan 0.000 0.422 322 G N 2.370 111.277 108.800 0.178 0.000 2.421 322 G HA2 -0.216 3.745 3.960 0.002 0.000 0.188 322 G HA3 -0.216 3.745 3.960 0.002 0.000 0.188 322 G C -0.230 174.857 174.900 0.312 0.000 1.001 322 G CA -0.067 45.180 45.100 0.245 0.000 0.693 322 G HN 0.616 nan 8.290 nan 0.000 0.479 323 S N 0.616 116.437 115.700 0.202 0.000 2.573 323 S HA 0.437 4.908 4.470 0.002 0.000 0.277 323 S C 0.509 175.130 174.600 0.034 0.000 1.346 323 S CA -0.031 58.272 58.200 0.171 0.000 1.034 323 S CB 1.438 64.737 63.200 0.164 0.000 0.879 323 S HN 0.603 nan 8.310 nan 0.000 0.528 324 R N 1.311 121.700 120.500 -0.185 0.000 2.265 324 R HA 0.459 4.800 4.340 0.002 0.000 0.319 324 R C -1.557 174.448 176.300 -0.492 0.000 1.006 324 R CA -0.357 55.289 56.100 -0.757 0.000 0.880 324 R CB 0.436 30.096 30.300 -1.066 0.000 1.077 324 R HN 0.452 nan 8.270 nan 0.000 0.454 325 V N 5.569 125.170 119.914 -0.522 0.000 2.384 325 V HA 0.316 4.437 4.120 0.002 0.000 0.287 325 V C -0.395 175.458 176.094 -0.401 0.000 1.020 325 V CA -0.781 61.300 62.300 -0.365 0.000 0.850 325 V CB 1.761 33.421 31.823 -0.271 0.000 0.987 325 V HN 0.503 nan 8.190 nan 0.000 0.436 326 V N 4.346 124.019 119.914 -0.402 0.000 2.357 326 V HA 0.643 4.764 4.120 0.002 0.000 0.284 326 V C 0.525 176.466 176.094 -0.255 0.000 1.018 326 V CA -0.564 61.538 62.300 -0.330 0.000 0.841 326 V CB 1.618 33.236 31.823 -0.341 0.000 0.991 326 V HN 0.966 nan 8.190 nan 0.000 0.437 327 A N 6.625 129.307 122.820 -0.229 0.000 2.302 327 A HA 0.670 4.991 4.320 0.002 0.000 0.295 327 A C -0.231 177.196 177.584 -0.261 0.000 1.235 327 A CA -0.335 51.566 52.037 -0.225 0.000 0.876 327 A CB -0.026 18.862 19.000 -0.186 0.000 1.133 327 A HN 0.853 nan 8.150 nan 0.000 0.533 328 L N 4.863 125.878 121.223 -0.347 0.000 2.302 328 L HA 0.157 4.498 4.340 0.002 0.000 0.285 328 L C 0.972 177.626 176.870 -0.360 0.000 1.090 328 L CA -0.310 54.264 54.840 -0.443 0.000 0.866 328 L CB 0.355 41.970 42.059 -0.740 0.000 1.244 328 L HN 0.809 nan 8.230 nan 0.000 0.435 329 L N 2.213 123.270 121.223 -0.277 0.000 2.083 329 L HA -0.109 4.232 4.340 0.002 0.000 0.209 329 L C 2.448 179.235 176.870 -0.138 0.000 1.083 329 L CA 1.497 56.229 54.840 -0.179 0.000 0.752 329 L CB -0.627 41.334 42.059 -0.163 0.000 0.899 329 L HN 0.788 nan 8.230 nan 0.000 0.433 330 G N -0.991 107.685 108.800 -0.207 0.000 2.422 330 G HA2 -0.249 3.712 3.960 0.002 0.000 0.218 330 G HA3 -0.249 3.712 3.960 0.002 0.000 0.218 330 G C 1.827 176.729 174.900 0.004 0.000 1.140 330 G CA 0.952 46.045 45.100 -0.012 0.000 0.775 330 G HN 0.349 nan 8.290 nan 0.000 0.545 331 S N 0.584 116.028 115.700 -0.425 0.000 2.371 331 S HA 0.123 4.595 4.470 0.002 0.000 0.224 331 S C 2.731 177.359 174.600 0.046 0.000 1.029 331 S CA 1.486 59.538 58.200 -0.245 0.000 0.978 331 S CB -0.403 62.504 63.200 -0.488 0.000 0.833 331 S HN 0.492 nan 8.310 nan 0.000 0.466 332 A N 2.097 124.930 122.820 0.022 0.000 1.877 332 A HA -0.080 4.241 4.320 0.002 0.000 0.216 332 A C 1.921 179.745 177.584 0.400 0.000 1.186 332 A CA 1.779 53.937 52.037 0.203 0.000 0.620 332 A CB -0.965 18.096 19.000 0.100 0.000 0.822 332 A HN 0.592 nan 8.150 nan 0.000 0.443 333 N N -0.323 118.528 118.700 0.253 0.000 2.519 333 N HA -0.066 4.675 4.740 0.002 0.000 0.186 333 N C 0.940 176.437 175.510 -0.022 0.000 1.062 333 N CA 0.785 53.908 53.050 0.121 0.000 0.910 333 N CB -0.191 38.258 38.487 -0.063 0.000 0.958 333 N HN 0.516 nan 8.380 nan 0.000 0.445 334 R N -0.118 120.463 120.500 0.136 0.000 2.662 334 R HA 0.122 4.464 4.340 0.002 0.000 0.396 334 R C -0.688 175.750 176.300 0.229 0.000 1.096 334 R CA -0.346 55.820 56.100 0.110 0.000 1.081 334 R CB 0.448 30.755 30.300 0.011 0.000 1.382 334 R HN -0.015 nan 8.270 nan 0.000 0.580 335 D N 2.184 122.780 120.400 0.326 0.000 2.336 335 D HA 0.052 4.693 4.640 0.002 0.000 0.249 335 D C -1.237 175.183 176.300 0.201 0.000 1.213 335 D CA -2.339 51.813 54.000 0.254 0.000 0.870 335 D CB 1.416 42.373 40.800 0.263 0.000 1.076 335 D HN 0.012 nan 8.370 nan 0.000 0.483 336 P HA -0.136 nan 4.420 nan 0.000 0.226 336 P C 0.842 178.165 177.300 0.039 0.000 1.146 336 P CA 0.582 63.743 63.100 0.101 0.000 0.773 336 P CB 0.253 32.006 31.700 0.088 0.000 0.772 337 A N -0.208 122.626 122.820 0.023 0.000 2.066 337 A HA -0.074 4.247 4.320 0.002 0.000 0.218 337 A C 2.374 179.880 177.584 -0.129 0.000 1.157 337 A CA 1.294 53.318 52.037 -0.023 0.000 0.670 337 A CB -0.676 18.331 19.000 0.013 0.000 0.804 337 A HN 0.117 nan 8.150 nan 0.000 0.453 338 R N -2.095 118.255 120.500 -0.251 0.000 2.225 338 R HA 0.286 4.627 4.340 0.002 0.000 0.194 338 R C -0.992 174.847 176.300 -0.769 0.000 0.949 338 R CA 0.394 56.104 56.100 -0.651 0.000 1.088 338 R CB 0.118 29.719 30.300 -1.165 0.000 1.106 338 R HN 0.238 nan 8.270 nan 0.000 0.566 339 F N 2.216 122.100 119.950 -0.110 0.000 2.434 339 F HA 0.507 5.036 4.527 0.002 0.000 0.367 339 F C -2.188 173.598 175.800 -0.024 0.000 1.093 339 F CA -3.147 54.812 58.000 -0.067 0.000 1.085 339 F CB 1.625 40.592 39.000 -0.054 0.000 1.322 339 F HN -0.135 nan 8.300 nan 0.000 0.452 340 P HA 0.059 nan 4.420 nan 0.000 0.265 340 P C -0.473 176.886 177.300 0.099 0.000 1.193 340 P CA 0.353 63.502 63.100 0.081 0.000 0.765 340 P CB 0.411 32.140 31.700 0.049 0.000 0.823 341 D N 2.734 123.185 120.400 0.085 0.000 2.746 341 D HA -0.131 4.511 4.640 0.002 0.000 0.241 341 D C -1.196 175.161 176.300 0.094 0.000 1.140 341 D CA 0.286 54.334 54.000 0.081 0.000 0.707 341 D CB -0.913 39.928 40.800 0.068 0.000 1.034 341 D HN 0.384 nan 8.370 nan 0.000 0.423 342 P HA -0.171 nan 4.420 nan 0.000 0.220 342 P C 0.741 178.073 177.300 0.055 0.000 1.144 342 P CA 1.071 64.224 63.100 0.090 0.000 0.800 342 P CB 0.360 32.128 31.700 0.114 0.000 0.772 343 D N -0.583 119.869 120.400 0.086 0.000 2.340 343 D HA 0.058 4.699 4.640 0.002 0.000 0.220 343 D C 0.497 176.946 176.300 0.248 0.000 1.039 343 D CA 0.154 54.241 54.000 0.144 0.000 0.866 343 D CB 0.227 41.099 40.800 0.119 0.000 0.913 343 D HN 0.089 nan 8.370 nan 0.000 0.523 344 V N 1.835 121.831 119.914 0.137 0.000 2.498 344 V HA 0.093 4.214 4.120 0.002 0.000 0.279 344 V C 0.193 176.242 176.094 -0.074 0.000 1.048 344 V CA -0.815 61.518 62.300 0.055 0.000 0.967 344 V CB 1.795 33.644 31.823 0.043 0.000 0.988 344 V HN -0.021 nan 8.190 nan 0.000 0.473 345 L N 5.140 126.147 121.223 -0.359 0.000 2.385 345 L HA 0.408 4.750 4.340 0.002 0.000 0.285 345 L C -0.165 176.531 176.870 -0.289 0.000 1.125 345 L CA 0.487 54.991 54.840 -0.561 0.000 0.890 345 L CB 0.161 41.547 42.059 -1.121 0.000 1.251 345 L HN 0.640 nan 8.230 nan 0.000 0.445 346 D N 3.273 123.572 120.400 -0.169 0.000 2.464 346 D HA 0.095 4.737 4.640 0.002 0.000 0.243 346 D C 1.055 177.278 176.300 -0.130 0.000 1.104 346 D CA -0.270 53.673 54.000 -0.094 0.000 0.883 346 D CB 1.407 42.205 40.800 -0.004 0.000 1.050 346 D HN 0.364 nan 8.370 nan 0.000 0.524 347 V N 2.317 122.085 119.914 -0.244 0.000 3.383 347 V HA -0.054 4.068 4.120 0.002 0.000 0.272 347 V C 0.952 176.828 176.094 -0.363 0.000 1.181 347 V CA 1.073 63.189 62.300 -0.306 0.000 1.171 347 V CB -0.756 30.844 31.823 -0.370 0.000 0.800 347 V HN 0.496 nan 8.190 nan 0.000 0.515 348 H N 0.451 119.519 119.070 -0.004 0.000 2.551 348 H HA 0.361 4.918 4.556 0.002 0.000 0.271 348 H C 0.961 176.303 175.328 0.022 0.000 0.984 348 H CA -0.199 55.854 56.048 0.009 0.000 1.164 348 H CB 0.170 29.935 29.762 0.006 0.000 1.437 348 H HN 0.527 nan 8.280 nan 0.000 0.550 349 R N 0.740 121.294 120.500 0.091 0.000 2.738 349 R HA 0.347 4.688 4.340 0.002 0.000 0.268 349 R C 0.409 176.765 176.300 0.093 0.000 1.062 349 R CA -0.168 55.992 56.100 0.100 0.000 1.158 349 R CB 0.628 30.993 30.300 0.109 0.000 1.046 349 R HN 0.085 nan 8.270 nan 0.000 0.493 350 A N 1.532 124.409 122.820 0.095 0.000 2.477 350 A HA 0.420 4.741 4.320 0.002 0.000 0.246 350 A C 0.269 177.912 177.584 0.097 0.000 1.078 350 A CA -0.093 51.992 52.037 0.080 0.000 0.770 350 A CB 0.323 19.359 19.000 0.059 0.000 1.011 350 A HN 0.790 nan 8.150 nan 0.000 0.494 351 A N 1.581 124.450 122.820 0.081 0.000 2.280 351 A HA 0.564 4.886 4.320 0.002 0.000 0.268 351 A C 0.704 178.351 177.584 0.105 0.000 1.111 351 A CA 0.101 52.192 52.037 0.091 0.000 0.814 351 A CB -0.067 18.975 19.000 0.070 0.000 1.093 351 A HN 1.143 nan 8.150 nan 0.000 0.498 352 E N -1.221 119.053 120.200 0.123 0.000 2.513 352 E HA -0.165 4.186 4.350 0.002 0.000 0.257 352 E C 0.647 177.351 176.600 0.174 0.000 1.098 352 E CA 0.957 57.439 56.400 0.136 0.000 0.752 352 E CB -1.018 28.732 29.700 0.083 0.000 1.324 352 E HN 0.721 nan 8.360 nan 0.000 0.403 353 R N -0.704 119.937 120.500 0.236 0.000 2.243 353 R HA 0.031 4.373 4.340 0.002 0.000 0.193 353 R C 0.899 177.500 176.300 0.502 0.000 0.933 353 R CA 0.578 56.863 56.100 0.308 0.000 1.105 353 R CB -0.065 30.390 30.300 0.259 0.000 1.169 353 R HN 0.304 nan 8.270 nan 0.000 0.599 354 Q N 1.839 121.906 119.800 0.445 0.000 2.349 354 Q HA 0.074 4.415 4.340 0.002 0.000 0.287 354 Q C 0.698 176.883 176.000 0.307 0.000 1.044 354 Q CA 0.166 56.194 55.803 0.376 0.000 0.918 354 Q CB 0.588 29.378 28.738 0.087 0.000 1.242 354 Q HN 0.088 nan 8.270 nan 0.000 0.405 355 V N 0.198 120.270 119.914 0.263 0.000 3.252 355 V HA 0.374 4.495 4.120 0.002 0.000 0.350 355 V C 1.179 177.280 176.094 0.011 0.000 1.329 355 V CA 0.343 62.724 62.300 0.135 0.000 1.258 355 V CB -0.490 31.356 31.823 0.038 0.000 1.208 355 V HN 0.885 nan 8.190 nan 0.000 0.462 356 G N 0.362 109.124 108.800 -0.063 0.000 2.470 356 G HA2 -0.135 3.827 3.960 0.002 0.000 0.220 356 G HA3 -0.135 3.827 3.960 0.002 0.000 0.220 356 G C 0.834 175.482 174.900 -0.420 0.000 1.121 356 G CA 0.743 45.685 45.100 -0.264 0.000 0.766 356 G HN 0.589 nan 8.290 nan 0.000 0.553 357 F N 0.993 120.853 119.950 -0.150 0.000 2.641 357 F HA 0.435 4.963 4.527 0.002 0.000 0.302 357 F C 1.585 177.135 175.800 -0.415 0.000 1.098 357 F CA 0.001 57.781 58.000 -0.368 0.000 1.318 357 F CB 0.396 39.030 39.000 -0.610 0.000 1.035 357 F HN 0.363 nan 8.300 nan 0.000 0.551 358 G N 0.916 109.692 108.800 -0.040 0.000 2.568 358 G HA2 -0.142 3.819 3.960 0.002 0.000 0.222 358 G HA3 -0.142 3.819 3.960 0.002 0.000 0.222 358 G C -1.309 173.704 174.900 0.188 0.000 1.321 358 G CA -0.339 44.771 45.100 0.017 0.000 0.893 358 G HN 0.422 nan 8.290 nan 0.000 0.569 359 L N -0.663 120.685 121.223 0.208 0.000 2.735 359 L HA 0.665 5.006 4.340 0.002 0.000 0.258 359 L C 0.474 177.434 176.870 0.151 0.000 0.920 359 L CA 1.054 56.032 54.840 0.231 0.000 0.958 359 L CB 1.366 43.484 42.059 0.098 0.000 1.499 359 L HN 3.034 nan 8.230 nan 0.000 0.441 360 G N 3.127 112.004 108.800 0.128 0.000 2.416 360 G HA2 -0.177 3.785 3.960 0.002 0.000 0.203 360 G HA3 -0.177 3.785 3.960 0.002 0.000 0.203 360 G C 0.498 175.429 174.900 0.051 0.000 1.227 360 G CA 0.043 45.177 45.100 0.056 0.000 1.041 360 G HN 1.594 nan 8.290 nan 0.000 0.546 361 I N -2.422 118.124 120.570 -0.041 0.000 2.454 361 I HA 0.016 4.187 4.170 0.002 0.000 0.254 361 I C 1.590 177.639 176.117 -0.112 0.000 1.156 361 I CA 2.025 63.262 61.300 -0.105 0.000 1.433 361 I CB -0.276 37.586 38.000 -0.231 0.000 1.082 361 I HN 0.435 nan 8.210 nan 0.000 0.432 362 H N 0.040 119.159 119.070 0.082 0.000 2.519 362 H HA 0.169 4.726 4.556 0.002 0.000 0.289 362 H C -0.410 174.969 175.328 0.083 0.000 1.040 362 H CA -0.602 55.476 56.048 0.049 0.000 1.165 362 H CB -0.591 29.137 29.762 -0.057 0.000 1.462 362 H HN 0.414 nan 8.280 nan 0.000 0.555 363 Y N 1.599 121.951 120.300 0.087 0.000 2.810 363 Y HA -0.101 4.450 4.550 0.002 0.000 0.332 363 Y C 0.769 176.695 175.900 0.044 0.000 1.243 363 Y CA -0.489 57.649 58.100 0.063 0.000 1.537 363 Y CB 0.301 38.778 38.460 0.027 0.000 1.265 363 Y HN 0.271 nan 8.280 nan 0.000 0.572 364 C N 8.555 127.565 119.300 -0.484 0.000 2.155 364 C HA -0.127 4.335 4.460 0.002 0.000 0.396 364 C C 1.832 176.683 174.990 -0.232 0.000 1.545 364 C CA 0.178 59.009 59.018 -0.312 0.000 1.442 364 C CB -1.790 25.800 27.740 -0.250 0.000 2.553 364 C HN 1.123 nan 8.230 nan 0.000 0.598 365 L N 5.140 126.254 121.223 -0.182 0.000 2.156 365 L HA 0.156 4.497 4.340 0.002 0.000 0.208 365 L C 2.263 178.911 176.870 -0.370 0.000 1.095 365 L CA 1.851 56.575 54.840 -0.193 0.000 0.770 365 L CB -0.217 41.724 42.059 -0.196 0.000 0.914 365 L HN 0.953 nan 8.230 nan 0.000 0.439 366 G N -2.059 106.448 108.800 -0.488 0.000 3.189 366 G HA2 0.105 4.066 3.960 0.002 0.000 0.225 366 G HA3 0.105 4.066 3.960 0.002 0.000 0.225 366 G C 1.492 176.157 174.900 -0.393 0.000 1.159 366 G CA 0.439 45.188 45.100 -0.585 0.000 0.763 366 G HN 0.433 nan 8.290 nan 0.000 0.549 367 A N 0.707 123.245 122.820 -0.470 0.000 1.958 367 A HA -0.144 4.177 4.320 0.002 0.000 0.221 367 A C 2.482 179.708 177.584 -0.597 0.000 1.178 367 A CA 2.588 54.080 52.037 -0.907 0.000 0.642 367 A CB -0.780 17.552 19.000 -1.112 0.000 0.816 367 A HN 0.288 nan 8.150 nan 0.000 0.453 368 T N -0.405 113.963 114.554 -0.310 0.000 2.737 368 T HA -0.090 4.262 4.350 0.002 0.000 0.265 368 T C 1.842 176.479 174.700 -0.106 0.000 1.038 368 T CA 1.412 63.413 62.100 -0.164 0.000 1.144 368 T CB -0.339 68.492 68.868 -0.062 0.000 0.866 368 T HN 0.338 nan 8.240 nan 0.000 0.434 369 L N 1.485 122.658 121.223 -0.082 0.000 2.046 369 L HA 0.113 4.454 4.340 0.002 0.000 0.208 369 L C 2.585 179.428 176.870 -0.046 0.000 1.077 369 L CA 1.840 56.667 54.840 -0.021 0.000 0.747 369 L CB -1.052 41.021 42.059 0.022 0.000 0.896 369 L HN 0.216 nan 8.230 nan 0.000 0.432 370 A N -0.405 122.364 122.820 -0.086 0.000 1.902 370 A HA -0.259 4.063 4.320 0.002 0.000 0.217 370 A C 2.550 180.122 177.584 -0.020 0.000 1.181 370 A CA 1.843 53.866 52.037 -0.024 0.000 0.623 370 A CB -0.680 18.363 19.000 0.072 0.000 0.818 370 A HN 0.502 nan 8.150 nan 0.000 0.443 371 R N -0.487 119.984 120.500 -0.048 0.000 2.081 371 R HA -0.119 4.222 4.340 0.002 0.000 0.235 371 R C 2.281 178.570 176.300 -0.019 0.000 1.131 371 R CA 1.449 57.526 56.100 -0.039 0.000 0.960 371 R CB -0.371 29.889 30.300 -0.067 0.000 0.856 371 R HN 0.463 nan 8.270 nan 0.000 0.436 372 A N 0.786 123.598 122.820 -0.014 0.000 1.898 372 A HA -0.152 4.169 4.320 0.002 0.000 0.216 372 A C 1.859 179.460 177.584 0.027 0.000 1.181 372 A CA 1.452 53.494 52.037 0.009 0.000 0.620 372 A CB -0.345 18.660 19.000 0.008 0.000 0.819 372 A HN 0.473 nan 8.150 nan 0.000 0.442 373 E N -0.202 120.012 120.200 0.022 0.000 2.106 373 E HA -0.078 4.273 4.350 0.002 0.000 0.192 373 E C 2.291 178.939 176.600 0.080 0.000 0.984 373 E CA 0.813 57.234 56.400 0.035 0.000 0.806 373 E CB -0.252 29.459 29.700 0.018 0.000 0.750 373 E HN 0.626 nan 8.360 nan 0.000 0.458 374 A N 1.647 124.514 122.820 0.078 0.000 1.855 374 A HA -0.235 4.086 4.320 0.002 0.000 0.215 374 A C 1.957 179.657 177.584 0.194 0.000 1.191 374 A CA 1.476 53.614 52.037 0.169 0.000 0.613 374 A CB -0.415 18.560 19.000 -0.041 0.000 0.829 374 A HN 0.146 nan 8.150 nan 0.000 0.442 375 E N -0.249 120.020 120.200 0.114 0.000 2.031 375 E HA -0.158 4.193 4.350 0.002 0.000 0.193 375 E C 1.940 178.604 176.600 0.106 0.000 0.994 375 E CA 1.371 57.834 56.400 0.105 0.000 0.800 375 E CB -0.337 29.402 29.700 0.064 0.000 0.752 375 E HN 0.676 nan 8.360 nan 0.000 0.447 376 I N 0.961 121.587 120.570 0.094 0.000 2.315 376 I HA -0.160 4.011 4.170 0.002 0.000 0.248 376 I C 2.526 178.732 176.117 0.148 0.000 1.117 376 I CA 1.147 62.504 61.300 0.096 0.000 1.404 376 I CB -0.440 37.602 38.000 0.071 0.000 1.071 376 I HN 0.163 nan 8.210 nan 0.000 0.419 377 G N 0.823 109.735 108.800 0.186 0.000 2.403 377 G HA2 -0.205 3.756 3.960 0.002 0.000 0.216 377 G HA3 -0.205 3.756 3.960 0.002 0.000 0.216 377 G C 1.625 176.729 174.900 0.340 0.000 1.154 377 G CA 0.283 45.584 45.100 0.335 0.000 0.784 377 G HN 0.228 nan 8.290 nan 0.000 0.538 378 L N 0.674 122.033 121.223 0.227 0.000 2.056 378 L HA 0.132 4.473 4.340 0.002 0.000 0.207 378 L C 2.660 179.578 176.870 0.080 0.000 1.078 378 L CA 1.840 56.766 54.840 0.143 0.000 0.749 378 L CB -0.493 41.655 42.059 0.148 0.000 0.901 378 L HN 0.169 nan 8.230 nan 0.000 0.433 379 R N 0.378 120.931 120.500 0.089 0.000 2.081 379 R HA -0.046 4.295 4.340 0.002 0.000 0.235 379 R C 2.113 178.438 176.300 0.041 0.000 1.131 379 R CA 1.737 57.870 56.100 0.055 0.000 0.960 379 R CB -1.110 29.225 30.300 0.058 0.000 0.856 379 R HN 0.481 nan 8.270 nan 0.000 0.436 380 A N 0.634 123.501 122.820 0.078 0.000 1.883 380 A HA -0.114 4.207 4.320 0.002 0.000 0.217 380 A C 2.349 179.895 177.584 -0.063 0.000 1.186 380 A CA 1.632 53.705 52.037 0.059 0.000 0.624 380 A CB -0.691 18.428 19.000 0.199 0.000 0.822 380 A HN 0.355 nan 8.150 nan 0.000 0.444 381 L N -0.719 120.420 121.223 -0.141 0.000 2.017 381 L HA -0.200 4.142 4.340 0.002 0.000 0.208 381 L C 2.653 179.443 176.870 -0.132 0.000 1.073 381 L CA 1.227 55.913 54.840 -0.257 0.000 0.745 381 L CB -0.612 41.285 42.059 -0.270 0.000 0.894 381 L HN 0.390 nan 8.230 nan 0.000 0.432 382 L N -0.445 120.737 121.223 -0.069 0.000 2.017 382 L HA -0.246 4.095 4.340 0.002 0.000 0.208 382 L C 2.186 179.034 176.870 -0.036 0.000 1.073 382 L CA 1.284 56.098 54.840 -0.043 0.000 0.745 382 L CB -0.596 41.452 42.059 -0.018 0.000 0.894 382 L HN 0.307 nan 8.230 nan 0.000 0.432 383 D N -0.404 119.980 120.400 -0.027 0.000 2.234 383 D HA -0.074 4.567 4.640 0.002 0.000 0.205 383 D C 2.069 178.351 176.300 -0.029 0.000 0.962 383 D CA 1.276 55.265 54.000 -0.018 0.000 0.855 383 D CB -0.098 40.700 40.800 -0.003 0.000 0.951 383 D HN 0.328 nan 8.370 nan 0.000 0.500 384 G N -0.007 108.762 108.800 -0.052 0.000 2.539 384 G HA2 0.059 4.020 3.960 0.002 0.000 0.215 384 G HA3 0.059 4.020 3.960 0.002 0.000 0.215 384 G C 0.790 175.648 174.900 -0.070 0.000 1.141 384 G CA -0.054 45.010 45.100 -0.061 0.000 0.806 384 G HN 0.224 nan 8.290 nan 0.000 0.533 385 I N 1.154 121.673 120.570 -0.084 0.000 2.555 385 I HA 0.232 4.403 4.170 0.002 0.000 0.275 385 I C -1.938 174.149 176.117 -0.051 0.000 1.082 385 I CA -1.773 59.483 61.300 -0.073 0.000 1.167 385 I CB 2.348 40.287 38.000 -0.101 0.000 1.312 385 I HN -0.108 nan 8.210 nan 0.000 0.493 386 P HA -0.211 nan 4.420 nan 0.000 0.217 386 P C 1.261 178.548 177.300 -0.021 0.000 1.151 386 P CA 1.120 64.206 63.100 -0.024 0.000 0.849 386 P CB 0.343 32.033 31.700 -0.017 0.000 0.787 387 A N -1.695 121.112 122.820 -0.021 0.000 2.327 387 A HA 0.083 4.404 4.320 0.002 0.000 0.228 387 A C 1.698 179.273 177.584 -0.016 0.000 1.275 387 A CA -0.112 51.916 52.037 -0.015 0.000 0.875 387 A CB -1.327 17.666 19.000 -0.012 0.000 0.925 387 A HN 0.073 nan 8.150 nan 0.000 0.493 388 L N -0.070 121.137 121.223 -0.027 0.000 2.043 388 L HA -0.127 4.214 4.340 0.002 0.000 0.212 388 L C 2.154 179.018 176.870 -0.010 0.000 1.075 388 L CA 2.444 57.266 54.840 -0.031 0.000 0.752 388 L CB -0.518 41.511 42.059 -0.051 0.000 0.891 388 L HN 0.353 nan 8.230 nan 0.000 0.432 389 G N -1.144 107.652 108.800 -0.006 0.000 2.985 389 G HA2 0.066 4.027 3.960 0.002 0.000 0.209 389 G HA3 0.066 4.027 3.960 0.002 0.000 0.209 389 G C 0.713 175.620 174.900 0.010 0.000 1.165 389 G CA -0.309 44.794 45.100 0.005 0.000 0.776 389 G HN 0.282 nan 8.290 nan 0.000 0.541 390 R N -0.852 119.652 120.500 0.007 0.000 2.782 390 R HA 0.625 4.966 4.340 0.002 0.000 0.258 390 R C 0.750 177.055 176.300 0.008 0.000 1.055 390 R CA -0.080 56.023 56.100 0.004 0.000 1.065 390 R CB 0.909 31.208 30.300 -0.002 0.000 1.172 390 R HN 0.220 nan 8.270 nan 0.000 0.510 391 G N -0.064 108.735 108.800 -0.001 0.000 2.804 391 G HA2 -0.090 3.872 3.960 0.002 0.000 0.230 391 G HA3 -0.090 3.872 3.960 0.002 0.000 0.230 391 G C -0.740 174.152 174.900 -0.014 0.000 1.386 391 G CA -0.263 44.833 45.100 -0.006 0.000 0.875 391 G HN 0.792 nan 8.290 nan 0.000 0.557 392 A N 0.220 123.023 122.820 -0.030 0.000 2.269 392 A HA 0.944 5.265 4.320 0.002 0.000 0.327 392 A C 0.197 177.764 177.584 -0.029 0.000 1.112 392 A CA 0.458 52.442 52.037 -0.089 0.000 0.865 392 A CB 0.938 19.877 19.000 -0.102 0.000 1.227 392 A HN 1.930 nan 8.150 nan 0.000 0.498 393 H N -0.796 118.275 119.070 0.002 0.000 2.894 393 H HA 0.741 5.298 4.556 0.002 0.000 0.368 393 H C -1.428 173.905 175.328 0.009 0.000 1.181 393 H CA -0.665 55.384 56.048 0.003 0.000 1.146 393 H CB 1.911 31.674 29.762 0.001 0.000 1.839 393 H HN 0.528 nan 8.280 nan 0.000 0.557 394 E N 1.826 122.167 120.200 0.235 0.000 2.145 394 E HA 0.394 4.745 4.350 0.002 0.000 0.262 394 E C -1.900 174.796 176.600 0.160 0.000 0.883 394 E CA -0.801 55.695 56.400 0.160 0.000 0.748 394 E CB 1.616 31.363 29.700 0.079 0.000 1.140 394 E HN 0.506 nan 8.360 nan 0.000 0.417 395 V N 3.794 123.825 119.914 0.195 0.000 2.680 395 V HA 0.688 4.810 4.120 0.002 0.000 0.309 395 V C -1.407 174.756 176.094 0.116 0.000 1.052 395 V CA -0.594 61.769 62.300 0.105 0.000 0.908 395 V CB 1.935 33.815 31.823 0.096 0.000 1.001 395 V HN 0.828 nan 8.190 nan 0.000 0.431 396 E N 4.314 124.546 120.200 0.053 0.000 2.260 396 E HA 0.489 4.840 4.350 0.002 0.000 0.266 396 E C -2.026 174.600 176.600 0.044 0.000 0.887 396 E CA -0.410 56.042 56.400 0.086 0.000 0.777 396 E CB 1.432 31.157 29.700 0.042 0.000 1.205 396 E HN 0.638 nan 8.360 nan 0.000 0.414 397 Y N 1.809 122.084 120.300 -0.041 0.000 2.335 397 Y HA 0.605 5.156 4.550 0.002 0.000 0.323 397 Y C 0.678 176.540 175.900 -0.062 0.000 1.224 397 Y CA -0.351 57.698 58.100 -0.085 0.000 1.241 397 Y CB 1.615 40.006 38.460 -0.116 0.000 1.235 397 Y HN 0.647 nan 8.280 nan 0.000 0.492 398 A N 1.512 124.362 122.820 0.050 0.000 2.371 398 A HA 0.216 4.537 4.320 0.002 0.000 0.257 398 A C -0.368 177.254 177.584 0.063 0.000 1.089 398 A CA -0.668 51.389 52.037 0.034 0.000 0.794 398 A CB -0.000 19.000 19.000 0.001 0.000 1.029 398 A HN 0.724 nan 8.150 nan 0.000 0.488 399 D N 1.906 122.336 120.400 0.050 0.000 2.551 399 D HA 0.216 4.857 4.640 0.002 0.000 0.223 399 D C -0.919 175.400 176.300 0.031 0.000 1.144 399 D CA 0.859 54.886 54.000 0.046 0.000 1.025 399 D CB 0.259 41.085 40.800 0.043 0.000 1.085 399 D HN 0.454 nan 8.370 nan 0.000 0.506 400 D N 1.649 122.065 120.400 0.028 0.000 2.891 400 D HA 0.105 4.746 4.640 0.002 0.000 0.224 400 D C 0.267 176.555 176.300 -0.019 0.000 1.321 400 D CA -0.437 53.576 54.000 0.021 0.000 0.929 400 D CB 1.382 42.232 40.800 0.083 0.000 1.551 400 D HN -0.116 nan 8.370 nan 0.000 0.574 401 M N 3.071 122.575 119.600 -0.161 0.000 2.383 401 M HA 0.135 4.616 4.480 0.002 0.000 0.247 401 M C 0.836 176.975 176.300 -0.268 0.000 1.117 401 M CA 0.103 55.202 55.300 -0.335 0.000 0.995 401 M CB 0.551 32.671 32.600 -0.800 0.000 1.480 401 M HN 0.258 nan 8.290 nan 0.000 0.485 402 V N -1.417 118.391 119.914 -0.177 0.000 2.870 402 V HA 0.134 4.255 4.120 0.002 0.000 0.232 402 V C 0.192 176.004 176.094 -0.470 0.000 1.161 402 V CA 0.573 62.674 62.300 -0.331 0.000 1.204 402 V CB 0.027 31.666 31.823 -0.306 0.000 1.003 402 V HN 0.125 nan 8.190 nan 0.000 0.499 403 F N 2.126 122.079 119.950 0.006 0.000 2.384 403 F HA 0.383 4.912 4.527 0.002 0.000 0.359 403 F C 0.403 176.228 175.800 0.041 0.000 1.143 403 F CA -0.353 57.655 58.000 0.014 0.000 1.216 403 F CB -0.236 38.764 39.000 0.000 0.000 1.512 403 F HN 0.160 nan 8.300 nan 0.000 0.573 404 H N 2.397 121.474 119.070 0.011 0.000 2.604 404 H HA 0.655 5.212 4.556 0.002 0.000 0.306 404 H C 0.031 175.395 175.328 0.060 0.000 1.075 404 H CA 0.098 56.166 56.048 0.034 0.000 1.357 404 H CB 0.887 30.639 29.762 -0.015 0.000 1.426 404 H HN 0.768 nan 8.280 nan 0.000 0.470 405 G N 4.857 113.450 108.800 -0.345 0.000 2.338 405 G HA2 0.097 4.058 3.960 0.002 0.000 0.295 405 G HA3 0.097 4.058 3.960 0.002 0.000 0.295 405 G C -3.368 171.137 174.900 -0.658 0.000 1.461 405 G CA -1.106 43.712 45.100 -0.470 0.000 0.817 405 G HN 0.333 nan 8.290 nan 0.000 0.556 406 P HA 0.197 nan 4.420 nan 0.000 0.271 406 P C 1.094 178.211 177.300 -0.306 0.000 1.216 406 P CA 0.116 62.820 63.100 -0.660 0.000 0.771 406 P CB 0.960 32.321 31.700 -0.566 0.000 0.864 407 T N 0.604 115.044 114.554 -0.190 0.000 3.067 407 T HA 0.054 4.405 4.350 0.002 0.000 0.257 407 T C 0.540 175.196 174.700 -0.073 0.000 1.105 407 T CA 0.152 62.193 62.100 -0.099 0.000 1.104 407 T CB -0.235 68.605 68.868 -0.047 0.000 0.925 407 T HN 0.550 nan 8.240 nan 0.000 0.498 408 R N -0.523 119.923 120.500 -0.089 0.000 2.604 408 R HA 0.656 4.997 4.340 0.002 0.000 0.261 408 R C -2.369 173.889 176.300 -0.070 0.000 1.080 408 R CA -1.155 54.913 56.100 -0.054 0.000 0.917 408 R CB 0.948 31.237 30.300 -0.019 0.000 1.252 408 R HN 0.096 nan 8.270 nan 0.000 0.456 409 L N 3.410 124.600 121.223 -0.055 0.000 2.485 409 L HA 0.385 4.726 4.340 0.002 0.000 0.260 409 L C -1.571 175.288 176.870 -0.018 0.000 0.998 409 L CA -0.784 54.018 54.840 -0.063 0.000 0.883 409 L CB 1.736 43.725 42.059 -0.117 0.000 1.196 409 L HN 0.608 nan 8.230 nan 0.000 0.443 410 L N 4.274 125.507 121.223 0.017 0.000 2.349 410 L HA 0.441 4.782 4.340 0.002 0.000 0.275 410 L C -0.337 176.566 176.870 0.055 0.000 1.115 410 L CA -0.188 54.672 54.840 0.033 0.000 0.820 410 L CB 1.360 43.443 42.059 0.039 0.000 1.135 410 L HN 0.511 nan 8.230 nan 0.000 0.445 411 L N 3.141 124.386 121.223 0.037 0.000 2.386 411 L HA 0.440 4.781 4.340 0.002 0.000 0.271 411 L C -0.243 176.643 176.870 0.028 0.000 0.993 411 L CA -0.222 54.643 54.840 0.043 0.000 0.819 411 L CB 1.798 43.866 42.059 0.015 0.000 1.294 411 L HN 0.456 nan 8.230 nan 0.000 0.414 412 D N 3.698 124.115 120.400 0.029 0.000 2.316 412 D HA 0.374 5.016 4.640 0.002 0.000 0.245 412 D C -0.616 175.689 176.300 0.008 0.000 1.171 412 D CA 0.001 54.010 54.000 0.015 0.000 0.856 412 D CB 1.358 42.164 40.800 0.010 0.000 1.090 412 D HN 0.212 nan 8.370 nan 0.000 0.476 413 L N 0.000 121.225 121.223 0.004 0.000 2.949 413 L HA 0.000 4.341 4.340 0.002 0.000 0.249 413 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 413 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 413 L HN 0.000 nan 8.230 nan 0.000 0.502