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 1sr9_1_B DATA FIRST_RESID 18 DATA SEQUENCE TIVKPAGPPR VGQPSWNPQR ASSXPVNRYR PFAEEVEPIR LRNRTWPDRV DATA SEQUENCE IDRAPLWCAV DLRDGNQALI DPXSPARKRR XFDLLVRXGY KEIEVGFPSA DATA SEQUENCE SQTDFDFVRE IIEQGAIPDD VTIQVLTQCR PELIERTFQA CSGAPRAIVH DATA SEQUENCE FYNSTSILQR RVVFRANRAE VQAIATDGAR KCVEQAAKYP GTQWRFEYSP DATA SEQUENCE ESYTGTELEY AKQVCDAVGE VIAPTPERPI IFNLPATVEX TTPNVYADSI DATA SEQUENCE EWXSRNLANR ESVILSLHPH NDRGTAVAAA ELGFAAGADR IEGCLFGNGE DATA SEQUENCE RTGNVCLVTL GLNLFSRGVD PQIDFSNIDE IRRTVEYCNQ LPVHERHPYG DATA SEQUENCE GDLVYTAFSG SHQDAINKGL DAXKLDADAA DCDVDDXLWQ VPYLPIDPRD DATA SEQUENCE VGRTYEAVIR VNXXXXKGGV AYIXKTDHGL SLPRRLQIEF SQVIQKXXXX DATA SEQUENCE XXXXXXXVSP KEXWDAFAEE YLAPVRPLER IRQHVDAADD DGGTTSITAT DATA SEQUENCE VKINGVETEI SGSGNGPLAA FVHALADVGF DVAVLDYYEH AXSAGDDAQA DATA SEQUENCE AAYVEASVTI ASXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXTSKT DATA SEQUENCE VWGVGIAPSI TTASLRAVVS AVNRAA 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 18 T HA 0.000 nan 4.350 nan 0.000 0.228 18 T C 0.000 174.699 174.700 -0.001 0.000 1.109 18 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 18 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 19 I N 1.168 121.737 120.570 -0.002 0.000 2.353 19 I HA 0.662 4.834 4.170 0.003 0.000 0.293 19 I C 0.429 176.546 176.117 -0.001 0.000 0.992 19 I CA -0.869 60.430 61.300 -0.002 0.000 1.268 19 I CB 1.387 39.385 38.000 -0.003 0.000 1.387 19 I HN 0.742 nan 8.210 nan 0.000 0.478 20 V N 6.450 126.364 119.914 0.000 0.000 2.357 20 V HA 0.359 4.481 4.120 0.003 0.000 0.284 20 V C 0.245 176.340 176.094 0.001 0.000 1.018 20 V CA -0.939 61.361 62.300 0.001 0.000 0.841 20 V CB 1.269 33.093 31.823 0.002 0.000 0.991 20 V HN 0.727 nan 8.190 nan 0.000 0.437 21 K N 6.243 126.643 120.400 0.000 0.000 2.466 21 K HA 0.229 4.551 4.320 0.003 0.000 0.278 21 K C -2.118 174.483 176.600 0.001 0.000 1.048 21 K CA -1.063 55.225 56.287 0.001 0.000 1.088 21 K CB 0.263 32.763 32.500 0.001 0.000 0.884 21 K HN 0.658 nan 8.250 nan 0.000 0.478 22 P HA -0.102 nan 4.420 nan 0.000 0.261 22 P C -0.839 176.461 177.300 0.001 0.000 1.173 22 P CA 0.364 63.465 63.100 0.002 0.000 0.760 22 P CB 0.870 32.571 31.700 0.002 0.000 0.783 23 A N 2.861 125.681 122.820 -0.000 0.000 2.704 23 A HA 0.460 4.782 4.320 0.003 0.000 0.260 23 A C 0.952 178.534 177.584 -0.003 0.000 1.144 23 A CA 0.308 52.344 52.037 -0.001 0.000 0.985 23 A CB -0.105 18.894 19.000 -0.001 0.000 1.256 23 A HN 0.594 nan 8.150 nan 0.000 0.598 24 G N 0.929 109.728 108.800 -0.002 0.000 2.653 24 G HA2 0.486 4.448 3.960 0.003 0.000 0.265 24 G HA3 0.486 4.448 3.960 0.003 0.000 0.265 24 G C -2.551 172.344 174.900 -0.008 0.000 1.237 24 G CA -1.165 43.933 45.100 -0.004 0.000 0.946 24 G HN 0.153 nan 8.290 nan 0.000 0.522 25 P HA 0.238 nan 4.420 nan 0.000 0.274 25 P C -2.389 174.899 177.300 -0.019 0.000 1.231 25 P CA -1.248 61.844 63.100 -0.014 0.000 0.790 25 P CB 0.440 32.132 31.700 -0.014 0.000 0.951 26 P HA 0.143 nan 4.420 nan 0.000 0.271 26 P C -0.016 177.262 177.300 -0.037 0.000 1.233 26 P CA -0.065 63.013 63.100 -0.037 0.000 0.789 26 P CB 0.563 32.232 31.700 -0.053 0.000 0.951 27 R N -0.043 120.432 120.500 -0.041 0.000 2.738 27 R HA 0.238 4.580 4.340 0.003 0.000 0.268 27 R C -0.186 176.087 176.300 -0.045 0.000 1.062 27 R CA -0.751 55.327 56.100 -0.037 0.000 1.158 27 R CB -0.197 30.082 30.300 -0.035 0.000 1.046 27 R HN 0.225 nan 8.270 nan 0.000 0.493 28 V N 2.249 122.142 119.914 -0.035 0.000 2.485 28 V HA 0.196 4.318 4.120 0.003 0.000 0.287 28 V C 1.389 177.456 176.094 -0.045 0.000 1.022 28 V CA 1.664 63.942 62.300 -0.037 0.000 1.067 28 V CB 0.466 32.274 31.823 -0.025 0.000 0.967 28 V HN 1.127 nan 8.190 nan 0.000 0.479 29 G N 3.650 112.415 108.800 -0.059 0.000 2.195 29 G HA2 -0.231 3.731 3.960 0.003 0.000 0.224 29 G HA3 -0.231 3.731 3.960 0.003 0.000 0.224 29 G C 0.296 175.128 174.900 -0.114 0.000 0.990 29 G CA 0.198 45.256 45.100 -0.070 0.000 0.639 29 G HN 0.721 nan 8.290 nan 0.000 0.514 30 Q N 1.816 121.538 119.800 -0.129 0.000 2.289 30 Q HA 0.434 4.776 4.340 0.003 0.000 0.273 30 Q C -1.840 173.982 176.000 -0.297 0.000 1.029 30 Q CA -1.249 54.436 55.803 -0.196 0.000 0.896 30 Q CB 0.647 29.294 28.738 -0.153 0.000 1.182 30 Q HN 0.274 nan 8.270 nan 0.000 0.385 31 P HA -0.049 nan 4.420 nan 0.000 0.269 31 P C 0.129 177.054 177.300 -0.625 0.000 1.209 31 P CA 0.063 62.711 63.100 -0.754 0.000 0.776 31 P CB 0.934 31.630 31.700 -1.673 0.000 0.876 32 S N 1.683 117.134 115.700 -0.415 0.000 2.419 32 S HA -0.148 4.324 4.470 0.003 0.000 0.235 32 S C 1.530 176.063 174.600 -0.112 0.000 1.019 32 S CA 0.561 58.644 58.200 -0.196 0.000 0.982 32 S CB -1.078 62.076 63.200 -0.077 0.000 0.789 32 S HN 0.732 nan 8.310 nan 0.000 0.490 33 W N 1.604 122.906 121.300 0.004 0.000 2.825 33 W HA 0.322 4.984 4.660 0.003 0.000 0.243 33 W C 0.284 176.805 176.519 0.004 0.000 1.293 33 W CA -0.248 57.099 57.345 0.004 0.000 1.403 33 W CB -0.733 28.729 29.460 0.004 0.000 1.134 33 W HN 0.240 nan 8.180 nan 0.000 0.666 34 N N 2.917 121.581 118.700 -0.061 0.000 2.621 34 N HA 0.175 4.917 4.740 0.003 0.000 0.237 34 N C -1.982 173.504 175.510 -0.039 0.000 0.997 34 N CA -2.319 50.728 53.050 -0.006 0.000 0.918 34 N CB 1.224 39.607 38.487 -0.173 0.000 1.122 34 N HN -0.190 nan 8.380 nan 0.000 0.510 35 P HA 0.048 nan 4.420 nan 0.000 0.255 35 P C -0.187 177.113 177.300 -0.001 0.000 1.301 35 P CA 0.149 63.250 63.100 0.002 0.000 0.817 35 P CB 0.253 31.966 31.700 0.022 0.000 1.259 36 Q N 0.741 120.542 119.800 0.001 0.000 2.428 36 Q HA 0.082 4.424 4.340 0.003 0.000 0.276 36 Q C 0.363 176.357 176.000 -0.010 0.000 1.059 36 Q CA 0.436 56.239 55.803 0.001 0.000 0.923 36 Q CB 0.499 29.241 28.738 0.006 0.000 1.283 36 Q HN 0.086 nan 8.270 nan 0.000 0.447 37 R N 0.456 120.953 120.500 -0.005 0.000 2.778 37 R HA 0.536 4.878 4.340 0.003 0.000 0.277 37 R C -0.811 175.486 176.300 -0.005 0.000 0.977 37 R CA -0.841 55.255 56.100 -0.007 0.000 0.950 37 R CB 1.443 31.741 30.300 -0.004 0.000 1.165 37 R HN 0.718 nan 8.270 nan 0.000 0.474 38 A N 1.630 124.447 122.820 -0.006 0.000 2.511 38 A HA 0.184 4.506 4.320 0.003 0.000 0.242 38 A C 0.747 178.332 177.584 0.002 0.000 1.069 38 A CA 0.040 52.076 52.037 -0.002 0.000 0.763 38 A CB -0.014 18.985 19.000 -0.002 0.000 1.001 38 A HN 0.796 nan 8.150 nan 0.000 0.498 39 S N 2.189 117.892 115.700 0.005 0.000 2.655 39 S HA 0.631 5.103 4.470 0.003 0.000 0.265 39 S C 0.506 175.112 174.600 0.010 0.000 1.240 39 S CA 0.015 58.218 58.200 0.006 0.000 0.986 39 S CB 0.763 63.967 63.200 0.007 0.000 0.985 39 S HN 1.630 nan 8.310 nan 0.000 0.562 43 V N 1.465 121.467 119.914 0.147 0.000 2.626 43 V HA -0.232 3.890 4.120 0.003 0.000 0.252 43 V C 2.418 178.609 176.094 0.160 0.000 1.067 43 V CA 2.272 64.689 62.300 0.195 0.000 1.081 43 V CB -0.969 30.916 31.823 0.103 0.000 0.686 43 V HN 0.694 nan 8.190 nan 0.000 0.468 44 N N 0.391 119.132 118.700 0.069 0.000 2.443 44 N HA -0.190 4.552 4.740 0.003 0.000 0.184 44 N C 1.741 177.210 175.510 -0.068 0.000 1.037 44 N CA 0.881 53.937 53.050 0.010 0.000 0.896 44 N CB -0.253 38.231 38.487 -0.005 0.000 0.959 44 N HN 0.329 nan 8.380 nan 0.000 0.442 45 R N -0.821 119.586 120.500 -0.156 0.000 2.313 45 R HA 0.061 4.403 4.340 0.003 0.000 0.199 45 R C -0.479 175.316 176.300 -0.843 0.000 0.958 45 R CA 0.395 56.203 56.100 -0.487 0.000 1.047 45 R CB -0.030 29.876 30.300 -0.656 0.000 0.955 45 R HN 0.400 nan 8.270 nan 0.000 0.481 46 Y N -0.367 119.936 120.300 0.004 0.000 2.477 46 Y HA 0.446 4.998 4.550 0.003 0.000 0.347 46 Y C 0.221 176.126 175.900 0.010 0.000 0.981 46 Y CA -1.056 57.049 58.100 0.009 0.000 1.033 46 Y CB 1.672 40.142 38.460 0.015 0.000 1.245 46 Y HN -0.322 nan 8.280 nan 0.000 0.455 47 R N 1.701 122.284 120.500 0.138 0.000 2.803 47 R HA 0.570 4.912 4.340 0.003 0.000 0.276 47 R C -2.745 173.612 176.300 0.094 0.000 0.978 47 R CA -2.070 54.075 56.100 0.076 0.000 0.939 47 R CB 1.318 31.631 30.300 0.021 0.000 1.179 47 R HN 0.390 nan 8.270 nan 0.000 0.472 48 P HA -0.041 nan 4.420 nan 0.000 0.267 48 P C 0.171 177.535 177.300 0.107 0.000 1.200 48 P CA -0.067 63.094 63.100 0.102 0.000 0.772 48 P CB 0.346 32.094 31.700 0.079 0.000 0.855 49 F N 2.942 122.907 119.950 0.026 0.000 2.115 49 F HA -0.316 4.213 4.527 0.004 0.000 0.300 49 F C 2.081 177.884 175.800 0.005 0.000 1.092 49 F CA 2.314 60.325 58.000 0.017 0.000 1.245 49 F CB -0.648 38.363 39.000 0.018 0.000 0.995 49 F HN 0.366 nan 8.300 nan 0.000 0.481 50 A N -0.533 122.308 122.820 0.034 0.000 2.019 50 A HA -0.169 4.153 4.320 0.003 0.000 0.219 50 A C 2.072 179.575 177.584 -0.136 0.000 1.164 50 A CA 1.817 53.820 52.037 -0.057 0.000 0.644 50 A CB -0.688 18.343 19.000 0.052 0.000 0.805 50 A HN 0.604 nan 8.150 nan 0.000 0.449 51 E N -1.172 118.968 120.200 -0.102 0.000 2.190 51 E HA -0.097 4.255 4.350 0.003 0.000 0.191 51 E C 1.952 178.469 176.600 -0.137 0.000 0.978 51 E CA 0.813 57.156 56.400 -0.095 0.000 0.839 51 E CB 0.016 29.689 29.700 -0.045 0.000 0.787 51 E HN 0.636 nan 8.360 nan 0.000 0.473 52 E N 0.304 120.396 120.200 -0.179 0.000 2.107 52 E HA -0.098 4.254 4.350 0.003 0.000 0.191 52 E C 1.395 177.833 176.600 -0.271 0.000 0.982 52 E CA 1.009 57.301 56.400 -0.180 0.000 0.809 52 E CB 0.357 29.977 29.700 -0.133 0.000 0.756 52 E HN 0.026 nan 8.360 nan 0.000 0.459 53 V N -0.695 118.928 119.914 -0.485 0.000 3.669 53 V HA 0.275 4.397 4.120 0.003 0.000 0.203 53 V C 0.076 175.951 176.094 -0.364 0.000 1.149 53 V CA 0.481 62.487 62.300 -0.491 0.000 1.346 53 V CB 0.253 31.580 31.823 -0.826 0.000 1.510 53 V HN 0.399 nan 8.190 nan 0.000 0.506 54 E N 0.694 120.644 120.200 -0.417 0.000 2.416 54 E HA 0.383 4.735 4.350 0.003 0.000 0.280 54 E C -3.233 173.290 176.600 -0.128 0.000 1.055 54 E CA -1.881 54.391 56.400 -0.213 0.000 0.825 54 E CB 1.906 31.510 29.700 -0.161 0.000 1.312 54 E HN 0.226 nan 8.360 nan 0.000 0.452 55 P HA 0.242 nan 4.420 nan 0.000 0.276 55 P C -0.493 176.811 177.300 0.008 0.000 1.235 55 P CA 0.050 63.155 63.100 0.008 0.000 0.772 55 P CB 0.440 32.139 31.700 -0.002 0.000 0.871 56 I N 2.441 123.052 120.570 0.069 0.000 2.390 56 I HA 0.490 4.662 4.170 0.003 0.000 0.283 56 I C 0.797 176.949 176.117 0.059 0.000 1.016 56 I CA -0.654 60.665 61.300 0.032 0.000 1.151 56 I CB 1.406 39.449 38.000 0.072 0.000 1.293 56 I HN 0.249 nan 8.210 nan 0.000 0.458 57 R N 5.670 126.193 120.500 0.039 0.000 2.371 57 R HA 0.631 4.973 4.340 0.003 0.000 0.312 57 R C -1.407 174.948 176.300 0.091 0.000 0.980 57 R CA -0.586 55.554 56.100 0.066 0.000 0.867 57 R CB 1.248 31.578 30.300 0.050 0.000 1.163 57 R HN 0.569 nan 8.270 nan 0.000 0.492 58 L N 3.001 124.299 121.223 0.125 0.000 2.599 58 L HA 0.417 4.759 4.340 0.003 0.000 0.241 58 L C 1.731 178.663 176.870 0.103 0.000 1.207 58 L CA 0.107 55.041 54.840 0.156 0.000 0.987 58 L CB 1.097 43.292 42.059 0.228 0.000 1.318 58 L HN 0.848 nan 8.230 nan 0.000 0.458 59 R N 2.144 122.690 120.500 0.076 0.000 2.103 59 R HA -0.194 4.148 4.340 0.003 0.000 0.242 59 R C 1.130 177.439 176.300 0.015 0.000 1.142 59 R CA 2.203 58.326 56.100 0.038 0.000 0.960 59 R CB -1.682 28.639 30.300 0.036 0.000 0.858 59 R HN 0.922 nan 8.270 nan 0.000 0.439 60 N N 1.056 119.774 118.700 0.031 0.000 2.375 60 N HA -0.044 4.698 4.740 0.003 0.000 0.220 60 N C -0.157 175.352 175.510 -0.003 0.000 1.170 60 N CA -0.322 52.733 53.050 0.009 0.000 0.833 60 N CB -0.146 38.353 38.487 0.021 0.000 1.069 60 N HN 0.681 nan 8.380 nan 0.000 0.479 61 R N 0.391 120.881 120.500 -0.016 0.000 2.697 61 R HA -0.014 4.328 4.340 0.003 0.000 0.265 61 R C 0.480 176.690 176.300 -0.150 0.000 1.009 61 R CA 0.744 56.811 56.100 -0.055 0.000 1.099 61 R CB 0.011 30.222 30.300 -0.149 0.000 0.965 61 R HN 0.158 nan 8.270 nan 0.000 0.428 62 T N -1.579 112.913 114.554 -0.102 0.000 2.985 62 T HA -0.004 4.348 4.350 0.003 0.000 0.254 62 T C 1.507 176.141 174.700 -0.110 0.000 1.021 62 T CA -0.309 61.729 62.100 -0.104 0.000 0.957 62 T CB -0.137 68.719 68.868 -0.021 0.000 1.047 62 T HN 0.832 nan 8.240 nan 0.000 0.511 63 W N 2.311 123.613 121.300 0.003 0.000 2.350 63 W HA 0.077 4.738 4.660 0.001 0.000 0.289 63 W C -1.807 174.711 176.519 -0.001 0.000 1.215 63 W CA 0.764 58.107 57.345 -0.003 0.000 1.236 63 W CB -2.212 27.254 29.460 0.010 0.000 1.130 63 W HN 0.308 nan 8.180 nan 0.000 0.541 64 P HA -0.086 nan 4.420 nan 0.000 0.225 64 P C 0.746 177.952 177.300 -0.156 0.000 1.148 64 P CA 1.800 64.617 63.100 -0.471 0.000 0.779 64 P CB -0.199 31.030 31.700 -0.784 0.000 0.780 65 D N -1.942 118.380 120.400 -0.129 0.000 2.395 65 D HA 0.081 4.723 4.640 0.003 0.000 0.213 65 D C 0.915 177.200 176.300 -0.025 0.000 1.110 65 D CA 0.225 54.183 54.000 -0.068 0.000 0.835 65 D CB 0.240 40.991 40.800 -0.082 0.000 0.965 65 D HN 0.086 nan 8.370 nan 0.000 0.505 66 R N 0.795 121.301 120.500 0.010 0.000 2.338 66 R HA 0.571 4.912 4.340 0.003 0.000 0.317 66 R C -0.445 175.865 176.300 0.017 0.000 0.968 66 R CA -0.520 55.584 56.100 0.007 0.000 0.849 66 R CB 0.820 31.122 30.300 0.005 0.000 1.128 66 R HN -0.043 nan 8.270 nan 0.000 0.448 67 V N 4.380 124.290 119.914 -0.006 0.000 2.427 67 V HA 0.397 4.519 4.120 0.003 0.000 0.286 67 V C 0.630 176.701 176.094 -0.038 0.000 1.034 67 V CA -0.826 61.474 62.300 0.000 0.000 0.893 67 V CB 1.515 33.342 31.823 0.007 0.000 0.982 67 V HN 0.809 nan 8.190 nan 0.000 0.452 68 I N 5.114 125.661 120.570 -0.038 0.000 2.683 68 I HA 0.066 4.238 4.170 0.003 0.000 0.286 68 I C 0.711 176.811 176.117 -0.028 0.000 1.175 68 I CA 0.421 61.666 61.300 -0.093 0.000 1.429 68 I CB 0.533 38.533 38.000 -0.001 0.000 1.371 68 I HN 0.850 nan 8.210 nan 0.000 0.569 69 D N 3.599 123.970 120.400 -0.048 0.000 2.527 69 D HA 0.194 4.836 4.640 0.003 0.000 0.224 69 D C 0.339 176.657 176.300 0.031 0.000 1.217 69 D CA -0.094 53.906 54.000 -0.000 0.000 0.819 69 D CB 0.350 41.141 40.800 -0.015 0.000 1.061 69 D HN 0.463 nan 8.370 nan 0.000 0.515 70 R N 0.230 120.766 120.500 0.059 0.000 2.668 70 R HA 0.855 5.197 4.340 0.003 0.000 0.272 70 R C -0.531 175.893 176.300 0.206 0.000 1.019 70 R CA -0.413 55.750 56.100 0.104 0.000 0.894 70 R CB 0.378 30.723 30.300 0.075 0.000 1.228 70 R HN 0.307 nan 8.270 nan 0.000 0.460 71 A N 3.543 126.437 122.820 0.123 0.000 2.445 71 A HA 0.612 4.934 4.320 0.003 0.000 0.242 71 A C -1.801 175.650 177.584 -0.221 0.000 1.075 71 A CA -0.837 51.195 52.037 -0.008 0.000 0.777 71 A CB -0.099 18.922 19.000 0.035 0.000 1.013 71 A HN 0.724 nan 8.150 nan 0.000 0.493 72 P HA 0.287 nan 4.420 nan 0.000 0.276 72 P C -0.538 176.219 177.300 -0.904 0.000 1.261 72 P CA -0.621 61.854 63.100 -1.042 0.000 0.800 72 P CB 0.551 31.191 31.700 -1.766 0.000 1.066 73 L N 1.528 122.424 121.223 -0.545 0.000 2.418 73 L HA 0.211 4.553 4.340 0.003 0.000 0.274 73 L C -0.739 175.928 176.870 -0.338 0.000 1.135 73 L CA -0.071 54.565 54.840 -0.340 0.000 0.870 73 L CB -0.807 41.154 42.059 -0.163 0.000 1.154 73 L HN 0.259 nan 8.230 nan 0.000 0.462 74 W N 4.709 125.997 121.300 -0.021 0.000 2.381 74 W HA 0.544 5.204 4.660 0.001 0.000 0.329 74 W C -0.274 176.268 176.519 0.037 0.000 1.157 74 W CA -0.612 56.755 57.345 0.036 0.000 1.240 74 W CB 1.309 30.900 29.460 0.218 0.000 1.199 74 W HN 0.636 nan 8.180 nan 0.000 0.579 75 C N 3.417 122.859 119.300 0.237 0.000 2.364 75 C HA 0.830 5.292 4.460 0.003 0.000 0.324 75 C C 0.127 175.102 174.990 -0.024 0.000 1.234 75 C CA -0.608 58.467 59.018 0.093 0.000 1.417 75 C CB -0.922 26.842 27.740 0.041 0.000 2.101 75 C HN 0.730 nan 8.230 nan 0.000 0.466 76 A N 4.519 127.237 122.820 -0.169 0.000 2.320 76 A HA 0.542 4.864 4.320 0.003 0.000 0.287 76 A C 0.607 178.113 177.584 -0.129 0.000 1.181 76 A CA 0.048 51.903 52.037 -0.305 0.000 0.831 76 A CB 0.486 19.136 19.000 -0.583 0.000 1.102 76 A HN 1.909 nan 8.150 nan 0.000 0.513 77 V N 0.016 119.870 119.914 -0.100 0.000 3.121 77 V HA 0.197 4.319 4.120 0.003 0.000 0.344 77 V C 0.408 176.494 176.094 -0.013 0.000 1.390 77 V CA 0.399 62.689 62.300 -0.016 0.000 1.177 77 V CB -0.653 31.192 31.823 0.036 0.000 1.163 77 V HN 0.666 nan 8.190 nan 0.000 0.484 78 D N 1.627 121.997 120.400 -0.050 0.000 2.149 78 D HA -0.129 4.513 4.640 0.003 0.000 0.198 78 D C 1.803 178.101 176.300 -0.004 0.000 0.990 78 D CA 1.699 55.679 54.000 -0.033 0.000 0.839 78 D CB -0.211 40.556 40.800 -0.055 0.000 0.948 78 D HN 0.501 nan 8.370 nan 0.000 0.460 79 L N -0.393 120.840 121.223 0.017 0.000 2.552 79 L HA 0.046 4.388 4.340 0.003 0.000 0.227 79 L C 2.232 179.126 176.870 0.039 0.000 1.146 79 L CA 0.322 55.171 54.840 0.015 0.000 0.858 79 L CB 0.042 42.142 42.059 0.069 0.000 0.969 79 L HN -0.001 nan 8.230 nan 0.000 0.451 80 R N -0.515 120.024 120.500 0.065 0.000 2.580 80 R HA 0.003 4.345 4.340 0.003 0.000 0.161 80 R C 1.456 177.814 176.300 0.096 0.000 1.659 80 R CA 0.504 56.663 56.100 0.097 0.000 1.325 80 R CB -0.597 29.770 30.300 0.111 0.000 1.254 80 R HN -0.035 nan 8.270 nan 0.000 0.474 81 D N 0.203 120.663 120.400 0.100 0.000 2.123 81 D HA -0.082 4.560 4.640 0.003 0.000 0.196 81 D C 1.595 177.951 176.300 0.092 0.000 0.992 81 D CA 1.745 55.819 54.000 0.123 0.000 0.833 81 D CB -0.389 40.515 40.800 0.172 0.000 0.954 81 D HN 0.500 nan 8.370 nan 0.000 0.455 82 G N 0.646 109.477 108.800 0.052 0.000 2.433 82 G HA2 -0.332 3.630 3.960 0.003 0.000 0.216 82 G HA3 -0.332 3.630 3.960 0.003 0.000 0.216 82 G C 1.559 176.475 174.900 0.026 0.000 1.186 82 G CA 0.871 45.991 45.100 0.034 0.000 0.779 82 G HN 0.361 nan 8.290 nan 0.000 0.543 83 N N 0.439 119.150 118.700 0.019 0.000 2.069 83 N HA -0.168 4.574 4.740 0.003 0.000 0.191 83 N C 2.450 177.971 175.510 0.017 0.000 1.031 83 N CA 1.845 54.895 53.050 0.001 0.000 0.852 83 N CB -0.196 38.285 38.487 -0.012 0.000 1.018 83 N HN 0.439 nan 8.380 nan 0.000 0.423 84 Q N -0.057 119.771 119.800 0.046 0.000 2.472 84 Q HA 0.270 4.612 4.340 0.003 0.000 0.208 84 Q C 1.664 177.690 176.000 0.043 0.000 0.958 84 Q CA 1.046 56.880 55.803 0.052 0.000 0.932 84 Q CB -0.405 28.386 28.738 0.089 0.000 1.007 84 Q HN 0.603 nan 8.270 nan 0.000 0.508 85 A N -0.318 122.527 122.820 0.042 0.000 2.251 85 A HA 0.466 4.788 4.320 0.003 0.000 0.209 85 A C 0.822 178.418 177.584 0.020 0.000 1.187 85 A CA -0.257 51.801 52.037 0.035 0.000 0.823 85 A CB 0.080 19.109 19.000 0.049 0.000 0.846 85 A HN 0.524 nan 8.150 nan 0.000 0.486 86 L N -0.190 121.038 121.223 0.010 0.000 2.395 86 L HA 0.267 4.609 4.340 0.003 0.000 0.269 86 L C 1.313 178.180 176.870 -0.005 0.000 1.133 86 L CA -0.478 54.360 54.840 -0.003 0.000 0.812 86 L CB 0.905 42.953 42.059 -0.018 0.000 1.125 86 L HN 0.257 nan 8.230 nan 0.000 0.452 87 I N 0.107 120.673 120.570 -0.008 0.000 2.179 87 I HA -0.177 3.995 4.170 0.003 0.000 0.242 87 I C 0.278 176.386 176.117 -0.014 0.000 1.088 87 I CA 1.446 62.740 61.300 -0.009 0.000 1.357 87 I CB -0.064 37.931 38.000 -0.009 0.000 1.051 87 I HN 0.613 nan 8.210 nan 0.000 0.409 88 D N 1.310 121.696 120.400 -0.024 0.000 2.461 88 D HA 0.317 4.959 4.640 0.003 0.000 0.240 88 D C -2.137 174.137 176.300 -0.043 0.000 1.094 88 D CA -1.089 52.892 54.000 -0.031 0.000 0.868 88 D CB 1.488 42.266 40.800 -0.037 0.000 1.062 88 D HN -0.036 nan 8.370 nan 0.000 0.530 92 P HA -0.030 nan 4.420 nan 0.000 0.216 92 P C 1.650 178.975 177.300 0.043 0.000 1.150 92 P CA 2.253 65.365 63.100 0.019 0.000 0.843 92 P CB -0.221 31.526 31.700 0.077 0.000 0.787 93 A N -0.243 122.614 122.820 0.061 0.000 1.902 93 A HA -0.201 4.121 4.320 0.003 0.000 0.217 93 A C 2.266 179.924 177.584 0.123 0.000 1.181 93 A CA 1.490 53.596 52.037 0.114 0.000 0.623 93 A CB -0.972 18.116 19.000 0.146 0.000 0.818 93 A HN 0.070 nan 8.150 nan 0.000 0.443 94 R N -0.295 120.215 120.500 0.017 0.000 2.092 94 R HA -0.057 4.285 4.340 0.003 0.000 0.231 94 R C 2.177 178.434 176.300 -0.071 0.000 1.119 94 R CA 1.417 57.471 56.100 -0.077 0.000 0.970 94 R CB -0.201 29.920 30.300 -0.298 0.000 0.864 94 R HN 0.489 nan 8.270 nan 0.000 0.440 95 K N 0.048 120.344 120.400 -0.173 0.000 2.026 95 K HA -0.102 4.220 4.320 0.003 0.000 0.208 95 K C 2.183 178.723 176.600 -0.100 0.000 1.048 95 K CA 0.850 56.910 56.287 -0.380 0.000 0.929 95 K CB -0.085 31.814 32.500 -1.000 0.000 0.713 95 K HN 0.004 nan 8.250 nan 0.000 0.439 96 R N 1.507 122.082 120.500 0.125 0.000 2.096 96 R HA -0.021 4.321 4.340 0.003 0.000 0.235 96 R C 1.343 177.814 176.300 0.286 0.000 1.127 96 R CA 0.819 57.127 56.100 0.346 0.000 0.968 96 R CB -0.311 30.160 30.300 0.285 0.000 0.861 96 R HN 0.045 nan 8.270 nan 0.000 0.440 100 D N 1.910 122.396 120.400 0.144 0.000 2.144 100 D HA -0.086 4.556 4.640 0.003 0.000 0.200 100 D C 2.358 178.629 176.300 -0.048 0.000 0.978 100 D CA 1.422 55.438 54.000 0.026 0.000 0.833 100 D CB -0.240 40.625 40.800 0.108 0.000 0.961 100 D HN 0.351 nan 8.370 nan 0.000 0.470 101 L N 0.461 121.682 121.223 -0.004 0.000 2.017 101 L HA -0.141 4.201 4.340 0.003 0.000 0.208 101 L C 2.278 179.123 176.870 -0.042 0.000 1.073 101 L CA 1.026 55.859 54.840 -0.011 0.000 0.745 101 L CB -0.267 41.810 42.059 0.031 0.000 0.894 101 L HN 0.054 nan 8.230 nan 0.000 0.432 102 L N -1.050 120.138 121.223 -0.057 0.000 2.046 102 L HA -0.235 4.107 4.340 0.003 0.000 0.208 102 L C 2.534 179.385 176.870 -0.033 0.000 1.077 102 L CA 0.921 55.764 54.840 0.005 0.000 0.747 102 L CB -0.631 41.364 42.059 -0.106 0.000 0.896 102 L HN 0.107 nan 8.230 nan 0.000 0.432 103 V N -0.557 119.211 119.914 -0.243 0.000 2.287 103 V HA -0.234 3.888 4.120 0.003 0.000 0.248 103 V C 1.896 177.893 176.094 -0.161 0.000 1.053 103 V CA 1.284 63.433 62.300 -0.250 0.000 1.027 103 V CB -0.520 31.077 31.823 -0.376 0.000 0.646 103 V HN 0.356 nan 8.190 nan 0.000 0.447 107 Y N 1.575 121.783 120.300 -0.154 0.000 2.511 107 Y HA 0.352 4.905 4.550 0.005 0.000 0.332 107 Y C 1.506 177.362 175.900 -0.073 0.000 1.177 107 Y CA 0.093 58.138 58.100 -0.092 0.000 1.422 107 Y CB 1.130 39.518 38.460 -0.120 0.000 1.271 107 Y HN -0.162 nan 8.280 nan 0.000 0.550 108 K N 1.609 122.088 120.400 0.132 0.000 2.380 108 K HA 0.168 4.490 4.320 0.003 0.000 0.198 108 K C -0.443 176.195 176.600 0.063 0.000 1.070 108 K CA 0.301 56.624 56.287 0.059 0.000 1.040 108 K CB 0.729 33.250 32.500 0.035 0.000 0.903 108 K HN 0.727 nan 8.250 nan 0.000 0.549 109 E N 0.912 121.171 120.200 0.099 0.000 2.224 109 E HA 0.469 4.821 4.350 0.003 0.000 0.265 109 E C -0.894 175.749 176.600 0.072 0.000 0.878 109 E CA -0.374 56.068 56.400 0.070 0.000 0.759 109 E CB 2.216 31.945 29.700 0.048 0.000 1.164 109 E HN -0.047 nan 8.360 nan 0.000 0.414 110 I N 2.182 122.800 120.570 0.080 0.000 2.512 110 I HA 0.150 4.322 4.170 0.003 0.000 0.287 110 I C -0.452 175.741 176.117 0.127 0.000 1.069 110 I CA -0.533 60.823 61.300 0.093 0.000 1.056 110 I CB 2.130 40.221 38.000 0.152 0.000 1.229 110 I HN 0.459 nan 8.210 nan 0.000 0.429 111 E N 5.347 125.607 120.200 0.100 0.000 2.105 111 E HA 0.186 4.538 4.350 0.003 0.000 0.285 111 E C 0.698 177.387 176.600 0.149 0.000 1.055 111 E CA -0.327 56.142 56.400 0.115 0.000 0.843 111 E CB 1.121 30.885 29.700 0.107 0.000 1.067 111 E HN 0.595 nan 8.360 nan 0.000 0.398 112 V N 1.661 121.679 119.914 0.173 0.000 3.608 112 V HA 0.491 4.613 4.120 0.003 0.000 0.269 112 V C 0.719 176.955 176.094 0.238 0.000 1.245 112 V CA 0.651 63.099 62.300 0.247 0.000 1.138 112 V CB -0.396 31.558 31.823 0.218 0.000 0.841 112 V HN 0.679 nan 8.190 nan 0.000 0.451 113 G N -0.496 108.413 108.800 0.183 0.000 2.356 113 G HA2 0.266 4.228 3.960 0.003 0.000 0.288 113 G HA3 0.266 4.228 3.960 0.003 0.000 0.288 113 G C -1.386 173.663 174.900 0.248 0.000 1.302 113 G CA -0.344 44.878 45.100 0.204 0.000 0.887 113 G HN 0.228 nan 8.290 nan 0.000 0.521 114 F N 2.862 122.876 119.950 0.108 0.000 2.449 114 F HA 0.406 4.935 4.527 0.004 0.000 0.329 114 F C -1.345 174.536 175.800 0.136 0.000 1.245 114 F CA -2.421 55.650 58.000 0.117 0.000 1.193 114 F CB 1.954 41.020 39.000 0.110 0.000 1.425 114 F HN 0.252 nan 8.300 nan 0.000 0.544 115 P HA -0.157 nan 4.420 nan 0.000 0.221 115 P C 1.410 178.934 177.300 0.372 0.000 1.150 115 P CA 1.196 64.494 63.100 0.329 0.000 0.800 115 P CB 0.104 31.924 31.700 0.200 0.000 0.787 116 S N -1.009 114.910 115.700 0.365 0.000 2.562 116 S HA 0.219 4.691 4.470 0.003 0.000 0.221 116 S C 1.801 176.444 174.600 0.072 0.000 0.975 116 S CA 0.529 58.885 58.200 0.260 0.000 0.918 116 S CB -0.669 62.707 63.200 0.294 0.000 0.772 116 S HN 0.121 nan 8.310 nan 0.000 0.531 117 A N 0.392 123.139 122.820 -0.121 0.000 2.324 117 A HA 0.591 4.913 4.320 0.003 0.000 0.220 117 A C 0.837 178.291 177.584 -0.216 0.000 1.209 117 A CA 0.220 52.023 52.037 -0.391 0.000 0.918 117 A CB 0.303 18.565 19.000 -1.230 0.000 0.959 117 A HN 0.513 nan 8.150 nan 0.000 0.507 118 S N -0.837 114.822 115.700 -0.067 0.000 2.677 118 S HA 0.378 4.850 4.470 0.003 0.000 0.283 118 S C 0.277 174.925 174.600 0.080 0.000 1.159 118 S CA -0.356 57.840 58.200 -0.006 0.000 1.001 118 S CB 1.634 64.839 63.200 0.009 0.000 1.032 118 S HN 0.203 nan 8.310 nan 0.000 0.487 119 Q N 3.202 123.032 119.800 0.051 0.000 2.124 119 Q HA -0.077 4.265 4.340 0.003 0.000 0.202 119 Q C 1.925 178.011 176.000 0.144 0.000 0.977 119 Q CA 2.932 58.783 55.803 0.081 0.000 0.850 119 Q CB -0.616 28.131 28.738 0.015 0.000 0.901 119 Q HN 0.944 nan 8.270 nan 0.000 0.429 120 T N -2.126 112.491 114.554 0.104 0.000 2.788 120 T HA -0.129 4.223 4.350 0.003 0.000 0.268 120 T C 1.226 176.026 174.700 0.166 0.000 1.044 120 T CA 1.349 63.517 62.100 0.113 0.000 1.139 120 T CB -0.366 68.538 68.868 0.060 0.000 0.867 120 T HN 0.180 nan 8.240 nan 0.000 0.454 121 D N 0.491 120.994 120.400 0.172 0.000 2.097 121 D HA 0.046 4.688 4.640 0.003 0.000 0.197 121 D C 1.565 178.012 176.300 0.245 0.000 0.984 121 D CA 0.522 54.652 54.000 0.216 0.000 0.826 121 D CB -0.650 40.272 40.800 0.204 0.000 0.973 121 D HN 0.408 nan 8.370 nan 0.000 0.460 122 F N 1.700 121.716 119.950 0.110 0.000 2.091 122 F HA -0.251 4.279 4.527 0.004 0.000 0.299 122 F C 1.816 177.659 175.800 0.071 0.000 1.103 122 F CA 1.625 59.676 58.000 0.084 0.000 1.228 122 F CB 0.089 39.128 39.000 0.064 0.000 0.984 122 F HN -0.141 nan 8.300 nan 0.000 0.477 123 D N -0.405 120.196 120.400 0.334 0.000 2.178 123 D HA -0.184 4.458 4.640 0.003 0.000 0.202 123 D C 2.038 178.410 176.300 0.120 0.000 0.974 123 D CA 1.010 55.146 54.000 0.225 0.000 0.841 123 D CB -0.658 40.264 40.800 0.203 0.000 0.953 123 D HN 0.310 nan 8.370 nan 0.000 0.478 124 F N 1.724 121.674 119.950 0.000 0.000 2.069 124 F HA -0.224 4.305 4.527 0.003 0.000 0.298 124 F C 2.206 177.927 175.800 -0.133 0.000 1.113 124 F CA 1.006 58.971 58.000 -0.059 0.000 1.214 124 F CB -0.503 38.469 39.000 -0.046 0.000 0.978 124 F HN -0.214 nan 8.300 nan 0.000 0.474 125 V N 0.969 120.724 119.914 -0.265 0.000 2.343 125 V HA -0.294 3.828 4.120 0.003 0.000 0.247 125 V C 2.632 178.483 176.094 -0.406 0.000 1.051 125 V CA 1.885 63.939 62.300 -0.410 0.000 1.036 125 V CB -0.736 30.909 31.823 -0.296 0.000 0.654 125 V HN 0.222 nan 8.190 nan 0.000 0.451 126 R N 0.133 120.435 120.500 -0.331 0.000 2.091 126 R HA -0.171 4.171 4.340 0.003 0.000 0.238 126 R C 2.224 178.402 176.300 -0.205 0.000 1.136 126 R CA 1.710 57.669 56.100 -0.234 0.000 0.959 126 R CB -0.787 29.450 30.300 -0.107 0.000 0.856 126 R HN 0.692 nan 8.270 nan 0.000 0.437 127 E N 0.811 120.881 120.200 -0.218 0.000 2.051 127 E HA -0.151 4.201 4.350 0.003 0.000 0.192 127 E C 2.019 178.445 176.600 -0.289 0.000 0.991 127 E CA 1.500 57.782 56.400 -0.197 0.000 0.799 127 E CB -0.092 29.527 29.700 -0.135 0.000 0.748 127 E HN 0.439 nan 8.360 nan 0.000 0.449 128 I N -1.528 118.730 120.570 -0.519 0.000 2.394 128 I HA -0.173 3.999 4.170 0.003 0.000 0.251 128 I C 2.208 178.129 176.117 -0.326 0.000 1.136 128 I CA 1.007 61.995 61.300 -0.521 0.000 1.425 128 I CB -0.361 37.076 38.000 -0.938 0.000 1.079 128 I HN 0.051 nan 8.210 nan 0.000 0.425 129 I N 1.623 122.016 120.570 -0.295 0.000 2.202 129 I HA -0.203 3.969 4.170 0.003 0.000 0.242 129 I C 2.585 178.622 176.117 -0.134 0.000 1.091 129 I CA 1.591 62.773 61.300 -0.196 0.000 1.368 129 I CB -0.350 37.536 38.000 -0.189 0.000 1.058 129 I HN 0.216 nan 8.210 nan 0.000 0.410 130 E N 0.259 120.385 120.200 -0.124 0.000 2.274 130 E HA -0.187 4.165 4.350 0.003 0.000 0.194 130 E C 1.528 178.091 176.600 -0.061 0.000 0.996 130 E CA 0.682 57.037 56.400 -0.075 0.000 0.840 130 E CB 0.045 29.711 29.700 -0.056 0.000 0.772 130 E HN 0.574 nan 8.360 nan 0.000 0.491 131 Q N -0.460 119.294 119.800 -0.076 0.000 2.220 131 Q HA 0.146 4.488 4.340 0.003 0.000 0.205 131 Q C 0.562 176.537 176.000 -0.041 0.000 0.865 131 Q CA 0.213 55.986 55.803 -0.050 0.000 0.960 131 Q CB 1.139 29.849 28.738 -0.046 0.000 1.097 131 Q HN 0.295 nan 8.270 nan 0.000 0.493 132 G N 1.335 110.104 108.800 -0.052 0.000 2.283 132 G HA2 -0.354 3.608 3.960 0.003 0.000 0.280 132 G HA3 -0.354 3.608 3.960 0.003 0.000 0.280 132 G C 0.688 175.581 174.900 -0.010 0.000 1.029 132 G CA 0.386 45.466 45.100 -0.033 0.000 0.840 132 G HN 0.489 nan 8.290 nan 0.000 0.505 133 A N -0.952 121.857 122.820 -0.018 0.000 2.238 133 A HA 0.533 4.855 4.320 0.003 0.000 0.208 133 A C 1.119 178.805 177.584 0.171 0.000 1.177 133 A CA 0.575 52.651 52.037 0.065 0.000 0.804 133 A CB 0.079 19.106 19.000 0.045 0.000 0.823 133 A HN 0.740 nan 8.150 nan 0.000 0.482 134 I N 1.900 122.525 120.570 0.090 0.000 2.291 134 I HA 0.234 4.406 4.170 0.003 0.000 0.290 134 I C -2.252 173.904 176.117 0.066 0.000 1.050 134 I CA -2.090 59.295 61.300 0.143 0.000 1.245 134 I CB 1.115 39.152 38.000 0.062 0.000 1.405 134 I HN 0.016 nan 8.210 nan 0.000 0.478 135 P HA -0.025 nan 4.420 nan 0.000 0.267 135 P C 0.391 177.690 177.300 -0.002 0.000 1.201 135 P CA -0.092 63.016 63.100 0.013 0.000 0.775 135 P CB 0.777 32.472 31.700 -0.008 0.000 0.854 136 D N 0.584 120.976 120.400 -0.015 0.000 2.264 136 D HA -0.128 4.514 4.640 0.003 0.000 0.208 136 D C 0.759 177.043 176.300 -0.027 0.000 0.966 136 D CA 1.111 55.096 54.000 -0.025 0.000 0.864 136 D CB 0.018 40.803 40.800 -0.026 0.000 0.933 136 D HN 0.530 nan 8.370 nan 0.000 0.499 137 D N -0.164 120.221 120.400 -0.024 0.000 2.342 137 D HA -0.014 4.628 4.640 0.003 0.000 0.221 137 D C 0.283 176.572 176.300 -0.019 0.000 1.101 137 D CA -0.086 53.899 54.000 -0.025 0.000 0.837 137 D CB 0.162 40.946 40.800 -0.027 0.000 0.938 137 D HN -0.108 nan 8.370 nan 0.000 0.508 138 V N 0.586 120.493 119.914 -0.012 0.000 2.459 138 V HA 0.375 4.497 4.120 0.003 0.000 0.295 138 V C 0.038 176.137 176.094 0.007 0.000 1.029 138 V CA -0.515 61.788 62.300 0.005 0.000 0.874 138 V CB 1.885 33.718 31.823 0.018 0.000 0.985 138 V HN 0.032 nan 8.190 nan 0.000 0.438 139 T N 6.160 120.718 114.554 0.008 0.000 2.772 139 T HA 0.527 4.879 4.350 0.003 0.000 0.288 139 T C -0.001 174.713 174.700 0.023 0.000 0.994 139 T CA -0.179 61.914 62.100 -0.012 0.000 0.951 139 T CB 0.683 69.530 68.868 -0.035 0.000 0.933 139 T HN 0.628 nan 8.240 nan 0.000 0.447 140 I N 1.509 122.092 120.570 0.020 0.000 2.696 140 I HA 0.503 4.675 4.170 0.003 0.000 0.284 140 I C -0.016 176.113 176.117 0.019 0.000 1.129 140 I CA -0.601 60.728 61.300 0.048 0.000 1.410 140 I CB 0.700 38.708 38.000 0.014 0.000 1.399 140 I HN 0.525 nan 8.210 nan 0.000 0.579 141 Q N 5.254 125.087 119.800 0.054 0.000 2.356 141 Q HA 0.670 5.012 4.340 0.003 0.000 0.270 141 Q C -1.530 174.517 176.000 0.080 0.000 1.058 141 Q CA -0.928 54.912 55.803 0.061 0.000 0.802 141 Q CB 2.364 31.143 28.738 0.067 0.000 1.303 141 Q HN 0.783 nan 8.270 nan 0.000 0.444 142 V N 1.759 121.722 119.914 0.081 0.000 2.656 142 V HA 0.632 4.754 4.120 0.003 0.000 0.307 142 V C -0.971 175.168 176.094 0.075 0.000 1.051 142 V CA -1.100 61.248 62.300 0.079 0.000 0.893 142 V CB 1.428 33.283 31.823 0.053 0.000 0.999 142 V HN 0.777 nan 8.190 nan 0.000 0.426 143 L N 3.582 124.792 121.223 -0.022 0.000 2.334 143 L HA 0.864 5.206 4.340 0.003 0.000 0.277 143 L C 0.196 176.868 176.870 -0.331 0.000 1.075 143 L CA 0.849 55.532 54.840 -0.262 0.000 0.804 143 L CB 1.641 43.373 42.059 -0.544 0.000 1.174 143 L HN 1.128 nan 8.230 nan 0.000 0.438 144 T N 3.160 117.599 114.554 -0.192 0.000 2.916 144 T HA 0.404 4.756 4.350 0.003 0.000 0.305 144 T C -0.528 174.198 174.700 0.043 0.000 1.119 144 T CA -0.514 61.599 62.100 0.021 0.000 1.008 144 T CB 1.106 70.097 68.868 0.206 0.000 1.129 144 T HN 0.752 nan 8.240 nan 0.000 0.480 145 Q N 0.965 120.845 119.800 0.134 0.000 2.414 145 Q HA 0.275 4.617 4.340 0.003 0.000 0.206 145 Q C 0.713 176.729 176.000 0.027 0.000 1.058 145 Q CA -0.508 55.236 55.803 -0.097 0.000 1.025 145 Q CB 0.480 29.238 28.738 0.033 0.000 1.196 145 Q HN 0.781 nan 8.270 nan 0.000 0.586 146 C N 0.293 119.587 119.300 -0.009 0.000 2.697 146 C HA 0.139 4.601 4.460 0.003 0.000 0.267 146 C C 0.339 175.335 174.990 0.010 0.000 1.278 146 C CA -0.244 58.789 59.018 0.025 0.000 1.708 146 C CB -0.723 27.040 27.740 0.038 0.000 1.860 146 C HN 0.543 nan 8.230 nan 0.000 0.589 147 R N 2.283 122.803 120.500 0.032 0.000 2.489 147 R HA 0.094 4.436 4.340 0.003 0.000 0.287 147 R C -1.345 174.970 176.300 0.025 0.000 1.053 147 R CA -0.689 55.429 56.100 0.029 0.000 1.036 147 R CB 0.122 30.449 30.300 0.046 0.000 0.966 147 R HN 0.197 nan 8.270 nan 0.000 0.432 148 P HA -0.267 nan 4.420 nan 0.000 0.217 148 P C 0.682 177.992 177.300 0.017 0.000 1.151 148 P CA 1.514 64.607 63.100 -0.011 0.000 0.849 148 P CB 0.165 31.848 31.700 -0.027 0.000 0.787 149 E N 0.322 120.540 120.200 0.030 0.000 2.152 149 E HA -0.098 4.254 4.350 0.003 0.000 0.192 149 E C 2.308 178.958 176.600 0.083 0.000 0.983 149 E CA 0.818 57.246 56.400 0.047 0.000 0.818 149 E CB -1.290 28.431 29.700 0.035 0.000 0.758 149 E HN 0.307 nan 8.360 nan 0.000 0.467 150 L N 0.580 121.861 121.223 0.096 0.000 2.093 150 L HA -0.088 4.254 4.340 0.003 0.000 0.208 150 L C 2.756 179.736 176.870 0.183 0.000 1.085 150 L CA 0.940 55.868 54.840 0.148 0.000 0.755 150 L CB -0.439 41.722 42.059 0.170 0.000 0.904 150 L HN 0.031 nan 8.230 nan 0.000 0.435 151 I N -0.275 120.386 120.570 0.152 0.000 2.286 151 I HA -0.259 3.913 4.170 0.003 0.000 0.248 151 I C 2.449 178.732 176.117 0.277 0.000 1.115 151 I CA 1.258 62.679 61.300 0.202 0.000 1.392 151 I CB -0.234 37.827 38.000 0.102 0.000 1.065 151 I HN 0.292 nan 8.210 nan 0.000 0.418 152 E N 0.479 120.779 120.200 0.168 0.000 2.077 152 E HA -0.274 4.078 4.350 0.003 0.000 0.193 152 E C 2.237 178.985 176.600 0.248 0.000 0.989 152 E CA 1.061 57.565 56.400 0.172 0.000 0.800 152 E CB -0.118 29.641 29.700 0.098 0.000 0.746 152 E HN 0.275 nan 8.360 nan 0.000 0.452 153 R N 0.474 121.108 120.500 0.223 0.000 2.152 153 R HA -0.089 4.253 4.340 0.003 0.000 0.232 153 R C 2.055 178.546 176.300 0.319 0.000 1.117 153 R CA 1.570 57.831 56.100 0.270 0.000 0.981 153 R CB -0.141 30.289 30.300 0.216 0.000 0.870 153 R HN 0.041 nan 8.270 nan 0.000 0.451 154 T N -0.173 114.539 114.554 0.262 0.000 2.812 154 T HA -0.035 4.317 4.350 0.003 0.000 0.264 154 T C 1.182 175.898 174.700 0.026 0.000 1.042 154 T CA 1.272 63.467 62.100 0.159 0.000 1.140 154 T CB -0.234 68.714 68.868 0.134 0.000 0.870 154 T HN 0.115 nan 8.240 nan 0.000 0.445 155 F N 1.799 121.723 119.950 -0.043 0.000 2.134 155 F HA -0.068 4.461 4.527 0.004 0.000 0.299 155 F C 2.716 178.359 175.800 -0.261 0.000 1.097 155 F CA 1.030 58.877 58.000 -0.255 0.000 1.264 155 F CB -0.570 38.184 39.000 -0.409 0.000 1.001 155 F HN 0.157 nan 8.300 nan 0.000 0.479 156 Q N -0.141 119.734 119.800 0.124 0.000 2.096 156 Q HA -0.220 4.122 4.340 0.003 0.000 0.204 156 Q C 2.518 178.557 176.000 0.065 0.000 0.982 156 Q CA 1.597 57.499 55.803 0.165 0.000 0.850 156 Q CB -0.529 28.418 28.738 0.348 0.000 0.901 156 Q HN 0.449 nan 8.270 nan 0.000 0.422 157 A N 0.006 122.802 122.820 -0.040 0.000 1.940 157 A HA -0.185 4.137 4.320 0.003 0.000 0.219 157 A C 2.022 179.413 177.584 -0.323 0.000 1.176 157 A CA 1.277 52.988 52.037 -0.544 0.000 0.631 157 A CB -0.582 18.103 19.000 -0.526 0.000 0.814 157 A HN 0.514 nan 8.150 nan 0.000 0.446 158 C N 0.044 119.261 119.300 -0.140 0.000 2.613 158 C HA 0.291 4.753 4.460 0.003 0.000 0.273 158 C C 1.493 176.441 174.990 -0.071 0.000 1.304 158 C CA -0.327 58.638 59.018 -0.090 0.000 1.702 158 C CB -1.913 25.855 27.740 0.047 0.000 1.792 158 C HN 0.527 nan 8.230 nan 0.000 0.588 159 S N 0.482 116.143 115.700 -0.065 0.000 2.596 159 S HA 0.361 4.833 4.470 0.003 0.000 0.298 159 S C 1.360 175.950 174.600 -0.016 0.000 1.255 159 S CA 1.464 59.659 58.200 -0.009 0.000 1.083 159 S CB -0.095 63.146 63.200 0.068 0.000 0.837 159 S HN 1.086 nan 8.310 nan 0.000 0.499 160 G N 2.939 111.737 108.800 -0.003 0.000 2.175 160 G HA2 -0.146 3.816 3.960 0.003 0.000 0.244 160 G HA3 -0.146 3.816 3.960 0.003 0.000 0.244 160 G C 0.261 175.099 174.900 -0.102 0.000 0.982 160 G CA 0.035 45.116 45.100 -0.032 0.000 0.641 160 G HN 1.464 nan 8.290 nan 0.000 0.527 161 A N 1.109 123.828 122.820 -0.169 0.000 2.477 161 A HA 0.625 4.947 4.320 0.003 0.000 0.246 161 A C 0.056 177.484 177.584 -0.259 0.000 1.078 161 A CA -0.084 51.818 52.037 -0.226 0.000 0.770 161 A CB 0.589 19.410 19.000 -0.298 0.000 1.011 161 A HN 0.164 nan 8.150 nan 0.000 0.494 162 P HA -0.050 nan 4.420 nan 0.000 0.221 162 P C 0.132 177.272 177.300 -0.268 0.000 1.150 162 P CA 1.129 64.114 63.100 -0.193 0.000 0.800 162 P CB 0.102 31.727 31.700 -0.125 0.000 0.787 163 R N -1.343 118.976 120.500 -0.301 0.000 2.663 163 R HA 0.805 5.147 4.340 0.003 0.000 0.267 163 R C -1.932 174.161 176.300 -0.346 0.000 1.038 163 R CA -1.047 54.847 56.100 -0.343 0.000 0.886 163 R CB 1.309 31.483 30.300 -0.211 0.000 1.249 163 R HN -0.092 nan 8.270 nan 0.000 0.463 164 A N 2.156 124.757 122.820 -0.365 0.000 2.594 164 A HA 0.569 4.891 4.320 0.003 0.000 0.296 164 A C -1.412 176.096 177.584 -0.127 0.000 1.061 164 A CA -0.880 51.020 52.037 -0.228 0.000 0.689 164 A CB 1.466 20.312 19.000 -0.256 0.000 1.280 164 A HN 0.633 nan 8.150 nan 0.000 0.406 165 I N 1.568 122.103 120.570 -0.058 0.000 2.321 165 I HA 0.398 4.570 4.170 0.003 0.000 0.291 165 I C -0.543 175.606 176.117 0.054 0.000 0.998 165 I CA -0.821 60.463 61.300 -0.028 0.000 1.227 165 I CB 1.808 39.798 38.000 -0.015 0.000 1.368 165 I HN 0.326 nan 8.210 nan 0.000 0.466 166 V N 6.347 126.323 119.914 0.102 0.000 2.348 166 V HA 0.156 4.278 4.120 0.003 0.000 0.270 166 V C 0.037 176.402 176.094 0.452 0.000 1.037 166 V CA -0.476 61.962 62.300 0.231 0.000 0.872 166 V CB 0.682 32.625 31.823 0.200 0.000 1.002 166 V HN 0.649 nan 8.190 nan 0.000 0.464 167 H N 6.555 125.757 119.070 0.221 0.000 2.641 167 H HA 0.515 5.073 4.556 0.004 0.000 0.295 167 H C -0.856 174.631 175.328 0.264 0.000 1.070 167 H CA -0.851 55.296 56.048 0.165 0.000 1.257 167 H CB 0.642 30.422 29.762 0.031 0.000 1.393 167 H HN 0.632 nan 8.280 nan 0.000 0.464 168 F N 4.526 124.680 119.950 0.341 0.000 2.507 168 F HA 0.524 5.053 4.527 0.004 0.000 0.327 168 F C -1.574 174.407 175.800 0.302 0.000 1.068 168 F CA -1.150 56.984 58.000 0.224 0.000 0.965 168 F CB 0.916 40.046 39.000 0.217 0.000 1.192 168 F HN 0.386 nan 8.300 nan 0.000 0.476 169 Y N 0.696 121.057 120.300 0.102 0.000 2.609 169 Y HA 0.720 5.272 4.550 0.004 0.000 0.336 169 Y C -1.966 174.016 175.900 0.136 0.000 1.129 169 Y CA -1.807 56.272 58.100 -0.034 0.000 1.040 169 Y CB 1.327 39.644 38.460 -0.239 0.000 1.310 169 Y HN 0.957 nan 8.280 nan 0.000 0.460 170 N N -0.127 118.660 118.700 0.144 0.000 2.598 170 N HA 0.422 5.163 4.740 0.003 0.000 0.263 170 N C -1.909 173.710 175.510 0.182 0.000 1.254 170 N CA -1.028 52.062 53.050 0.068 0.000 0.863 170 N CB 2.132 40.637 38.487 0.031 0.000 1.586 170 N HN 0.747 nan 8.380 nan 0.000 0.491 171 S N -0.141 115.684 115.700 0.208 0.000 2.510 171 S HA 0.187 4.659 4.470 0.003 0.000 0.279 171 S C 0.724 175.451 174.600 0.212 0.000 1.284 171 S CA 0.202 58.568 58.200 0.276 0.000 1.059 171 S CB -0.099 63.360 63.200 0.432 0.000 0.901 171 S HN 0.672 nan 8.310 nan 0.000 0.491 172 T N 0.778 115.474 114.554 0.236 0.000 3.044 172 T HA 0.209 4.561 4.350 0.003 0.000 0.260 172 T C 0.744 175.613 174.700 0.281 0.000 1.019 172 T CA 0.073 62.345 62.100 0.286 0.000 0.921 172 T CB -0.323 68.718 68.868 0.289 0.000 1.053 172 T HN 0.655 nan 8.240 nan 0.000 0.533 173 S N 1.085 116.919 115.700 0.223 0.000 2.566 173 S HA 0.278 4.750 4.470 0.003 0.000 0.280 173 S C 1.416 176.085 174.600 0.115 0.000 1.343 173 S CA -0.710 57.584 58.200 0.157 0.000 1.036 173 S CB 0.163 63.443 63.200 0.134 0.000 0.866 173 S HN 0.291 nan 8.310 nan 0.000 0.526 174 I N 1.072 121.672 120.570 0.051 0.000 2.118 174 I HA -0.219 3.953 4.170 0.003 0.000 0.241 174 I C 2.480 178.612 176.117 0.025 0.000 1.070 174 I CA 1.539 62.840 61.300 0.003 0.000 1.327 174 I CB -0.551 37.425 38.000 -0.039 0.000 1.034 174 I HN 0.653 nan 8.210 nan 0.000 0.405 175 L N 0.536 121.778 121.223 0.032 0.000 2.012 175 L HA -0.262 4.080 4.340 0.003 0.000 0.210 175 L C 2.537 179.443 176.870 0.061 0.000 1.073 175 L CA 1.914 56.774 54.840 0.033 0.000 0.748 175 L CB -0.795 41.282 42.059 0.030 0.000 0.891 175 L HN 0.253 nan 8.230 nan 0.000 0.431 176 Q N -0.736 119.130 119.800 0.111 0.000 2.119 176 Q HA -0.180 4.162 4.340 0.003 0.000 0.201 176 Q C 2.295 178.456 176.000 0.269 0.000 0.972 176 Q CA 1.473 57.372 55.803 0.159 0.000 0.847 176 Q CB -0.164 28.732 28.738 0.264 0.000 0.903 176 Q HN 0.578 nan 8.270 nan 0.000 0.433 177 R N 0.362 121.021 120.500 0.265 0.000 2.105 177 R HA -0.140 4.202 4.340 0.003 0.000 0.239 177 R C 2.337 178.726 176.300 0.148 0.000 1.135 177 R CA 1.244 57.488 56.100 0.241 0.000 0.967 177 R CB -0.252 30.106 30.300 0.096 0.000 0.861 177 R HN 0.170 nan 8.270 nan 0.000 0.442 178 R N 0.800 121.347 120.500 0.078 0.000 2.055 178 R HA -0.084 4.258 4.340 0.003 0.000 0.226 178 R C 2.234 178.549 176.300 0.024 0.000 1.135 178 R CA 1.696 57.818 56.100 0.037 0.000 0.959 178 R CB 0.068 30.374 30.300 0.009 0.000 0.854 178 R HN 0.242 nan 8.270 nan 0.000 0.431 179 V N -2.358 117.560 119.914 0.007 0.000 3.263 179 V HA 0.109 4.231 4.120 0.003 0.000 0.248 179 V C 1.709 177.757 176.094 -0.077 0.000 1.145 179 V CA 0.422 62.706 62.300 -0.026 0.000 1.107 179 V CB 0.670 32.477 31.823 -0.027 0.000 0.797 179 V HN 0.073 nan 8.190 nan 0.000 0.467 180 V N -0.232 119.599 119.914 -0.138 0.000 2.374 180 V HA 0.142 4.264 4.120 0.003 0.000 0.241 180 V C 2.205 178.010 176.094 -0.481 0.000 1.034 180 V CA 2.070 64.145 62.300 -0.375 0.000 1.037 180 V CB -0.621 30.849 31.823 -0.588 0.000 0.682 180 V HN 0.499 nan 8.190 nan 0.000 0.463 181 F N -0.523 119.445 119.950 0.031 0.000 2.714 181 F HA 0.337 4.866 4.527 0.003 0.000 0.294 181 F C 1.166 176.978 175.800 0.020 0.000 1.120 181 F CA -0.359 57.660 58.000 0.031 0.000 1.398 181 F CB -0.057 38.969 39.000 0.043 0.000 1.120 181 F HN -0.069 nan 8.300 nan 0.000 0.589 182 R N 0.580 121.163 120.500 0.138 0.000 3.158 182 R HA -0.141 4.201 4.340 0.003 0.000 0.244 182 R C -0.399 175.959 176.300 0.096 0.000 0.900 182 R CA 0.339 56.490 56.100 0.086 0.000 0.618 182 R CB -2.093 28.234 30.300 0.045 0.000 1.061 182 R HN 0.273 nan 8.270 nan 0.000 0.471 183 A N 0.822 123.711 122.820 0.116 0.000 2.479 183 A HA 0.617 4.939 4.320 0.003 0.000 0.296 183 A C -0.049 177.557 177.584 0.036 0.000 1.121 183 A CA -0.772 51.314 52.037 0.082 0.000 0.743 183 A CB 1.158 20.222 19.000 0.107 0.000 1.323 183 A HN 0.398 nan 8.150 nan 0.000 0.415 184 N N -0.001 118.708 118.700 0.014 0.000 2.418 184 N HA 0.297 5.039 4.740 0.003 0.000 0.283 184 N C 0.556 176.046 175.510 -0.033 0.000 1.267 184 N CA -0.436 52.602 53.050 -0.021 0.000 0.975 184 N CB 0.260 38.739 38.487 -0.014 0.000 1.167 184 N HN 0.596 nan 8.380 nan 0.000 0.581 185 R N -0.980 119.472 120.500 -0.080 0.000 2.066 185 R HA 0.000 4.342 4.340 0.003 0.000 0.232 185 R C 2.023 178.405 176.300 0.137 0.000 1.131 185 R CA 1.749 57.800 56.100 -0.082 0.000 0.955 185 R CB -0.763 29.433 30.300 -0.174 0.000 0.851 185 R HN 0.730 nan 8.270 nan 0.000 0.432 186 A N 1.160 124.027 122.820 0.079 0.000 1.908 186 A HA -0.231 4.091 4.320 0.003 0.000 0.218 186 A C 1.907 179.525 177.584 0.057 0.000 1.181 186 A CA 1.625 53.706 52.037 0.074 0.000 0.627 186 A CB -0.374 18.651 19.000 0.041 0.000 0.818 186 A HN 0.329 nan 8.150 nan 0.000 0.445 187 E N -0.683 119.541 120.200 0.039 0.000 2.072 187 E HA -0.106 4.246 4.350 0.003 0.000 0.191 187 E C 1.946 178.547 176.600 0.003 0.000 0.985 187 E CA 1.305 57.716 56.400 0.019 0.000 0.801 187 E CB -0.181 29.531 29.700 0.019 0.000 0.750 187 E HN 0.373 nan 8.360 nan 0.000 0.452 188 V N 0.950 120.881 119.914 0.028 0.000 2.548 188 V HA -0.238 3.884 4.120 0.003 0.000 0.249 188 V C 2.384 178.501 176.094 0.038 0.000 1.055 188 V CA 1.711 64.007 62.300 -0.007 0.000 1.065 188 V CB -0.353 31.501 31.823 0.052 0.000 0.681 188 V HN 0.278 nan 8.190 nan 0.000 0.462 189 Q N 0.161 120.024 119.800 0.105 0.000 2.084 189 Q HA -0.203 4.139 4.340 0.003 0.000 0.202 189 Q C 2.257 178.242 176.000 -0.025 0.000 0.978 189 Q CA 1.921 57.733 55.803 0.015 0.000 0.844 189 Q CB -0.277 28.484 28.738 0.039 0.000 0.898 189 Q HN 0.623 nan 8.270 nan 0.000 0.426 190 A N 0.761 123.576 122.820 -0.009 0.000 1.940 190 A HA -0.178 4.144 4.320 0.003 0.000 0.219 190 A C 1.972 179.534 177.584 -0.036 0.000 1.176 190 A CA 1.257 53.279 52.037 -0.025 0.000 0.631 190 A CB -0.686 18.305 19.000 -0.015 0.000 0.814 190 A HN 0.507 nan 8.150 nan 0.000 0.446 191 I N -0.352 120.193 120.570 -0.042 0.000 2.163 191 I HA -0.342 3.830 4.170 0.003 0.000 0.243 191 I C 2.983 179.093 176.117 -0.012 0.000 1.085 191 I CA 1.254 62.527 61.300 -0.045 0.000 1.347 191 I CB -0.356 37.585 38.000 -0.098 0.000 1.044 191 I HN 0.392 nan 8.210 nan 0.000 0.408 192 A N 0.716 123.534 122.820 -0.003 0.000 1.873 192 A HA -0.212 4.110 4.320 0.003 0.000 0.215 192 A C 2.432 179.997 177.584 -0.031 0.000 1.186 192 A CA 2.389 54.434 52.037 0.013 0.000 0.616 192 A CB -1.186 17.707 19.000 -0.178 0.000 0.823 192 A HN 0.523 nan 8.150 nan 0.000 0.442 193 T N -2.497 112.010 114.554 -0.079 0.000 2.904 193 T HA -0.101 4.251 4.350 0.003 0.000 0.267 193 T C 1.276 175.918 174.700 -0.096 0.000 1.059 193 T CA 1.416 63.466 62.100 -0.083 0.000 1.137 193 T CB -0.397 68.427 68.868 -0.073 0.000 0.879 193 T HN 0.315 nan 8.240 nan 0.000 0.467 194 D N 1.815 122.164 120.400 -0.084 0.000 2.144 194 D HA 0.034 4.676 4.640 0.003 0.000 0.199 194 D C 2.415 178.624 176.300 -0.151 0.000 0.984 194 D CA 1.350 55.291 54.000 -0.099 0.000 0.834 194 D CB -0.940 39.818 40.800 -0.069 0.000 0.955 194 D HN 0.564 nan 8.370 nan 0.000 0.465 195 G N 0.788 109.493 108.800 -0.158 0.000 2.418 195 G HA2 -0.205 3.757 3.960 0.003 0.000 0.217 195 G HA3 -0.205 3.757 3.960 0.003 0.000 0.217 195 G C 1.714 176.248 174.900 -0.611 0.000 1.158 195 G CA 1.262 46.178 45.100 -0.307 0.000 0.771 195 G HN 0.395 nan 8.290 nan 0.000 0.545 196 A N 0.549 123.051 122.820 -0.531 0.000 1.933 196 A HA 0.027 4.349 4.320 0.003 0.000 0.218 196 A C 2.429 179.776 177.584 -0.395 0.000 1.175 196 A CA 1.557 53.276 52.037 -0.529 0.000 0.628 196 A CB -0.371 18.549 19.000 -0.133 0.000 0.814 196 A HN 0.345 nan 8.150 nan 0.000 0.444 197 R N -0.780 119.560 120.500 -0.267 0.000 2.081 197 R HA -0.143 4.199 4.340 0.003 0.000 0.235 197 R C 2.280 178.438 176.300 -0.237 0.000 1.131 197 R CA 1.670 57.645 56.100 -0.207 0.000 0.960 197 R CB -0.205 30.009 30.300 -0.143 0.000 0.856 197 R HN 0.398 nan 8.270 nan 0.000 0.436 198 K N 0.616 120.863 120.400 -0.255 0.000 2.097 198 K HA -0.100 4.222 4.320 0.003 0.000 0.206 198 K C 1.871 178.272 176.600 -0.332 0.000 1.049 198 K CA 1.415 57.551 56.287 -0.253 0.000 0.933 198 K CB -0.430 31.948 32.500 -0.203 0.000 0.717 198 K HN 0.138 nan 8.250 nan 0.000 0.442 199 C N -0.644 118.422 119.300 -0.390 0.000 2.432 199 C HA -0.054 4.408 4.460 0.003 0.000 0.277 199 C C 2.511 177.287 174.990 -0.357 0.000 1.249 199 C CA 0.824 59.633 59.018 -0.349 0.000 1.725 199 C CB -0.695 26.691 27.740 -0.590 0.000 2.028 199 C HN 0.292 nan 8.230 nan 0.000 0.477 200 V N 0.960 120.654 119.914 -0.367 0.000 2.392 200 V HA -0.235 3.887 4.120 0.003 0.000 0.249 200 V C 2.549 178.535 176.094 -0.179 0.000 1.059 200 V CA 2.319 64.495 62.300 -0.206 0.000 1.051 200 V CB -0.720 31.001 31.823 -0.169 0.000 0.658 200 V HN 0.657 nan 8.190 nan 0.000 0.455 201 E N -0.621 119.435 120.200 -0.241 0.000 2.112 201 E HA -0.207 4.145 4.350 0.003 0.000 0.190 201 E C 2.224 178.639 176.600 -0.308 0.000 0.979 201 E CA 0.892 57.160 56.400 -0.221 0.000 0.814 201 E CB 0.015 29.595 29.700 -0.199 0.000 0.762 201 E HN 0.539 nan 8.360 nan 0.000 0.460 202 Q N 0.179 119.659 119.800 -0.534 0.000 2.083 202 Q HA -0.037 4.305 4.340 0.003 0.000 0.198 202 Q C 2.148 177.694 176.000 -0.757 0.000 0.969 202 Q CA 1.198 56.506 55.803 -0.826 0.000 0.838 202 Q CB -0.318 27.432 28.738 -1.646 0.000 0.900 202 Q HN 0.347 nan 8.270 nan 0.000 0.436 203 A N 1.256 123.676 122.820 -0.667 0.000 1.940 203 A HA -0.148 4.174 4.320 0.003 0.000 0.219 203 A C 2.300 179.919 177.584 0.059 0.000 1.176 203 A CA 1.962 53.849 52.037 -0.250 0.000 0.631 203 A CB -0.628 18.481 19.000 0.181 0.000 0.814 203 A HN 0.364 nan 8.150 nan 0.000 0.446 204 A N -0.398 122.412 122.820 -0.016 0.000 2.015 204 A HA -0.117 4.205 4.320 0.003 0.000 0.219 204 A C 2.013 179.591 177.584 -0.010 0.000 1.163 204 A CA 1.603 53.652 52.037 0.020 0.000 0.646 204 A CB -0.344 18.643 19.000 -0.023 0.000 0.806 204 A HN 0.560 nan 8.150 nan 0.000 0.448 205 K N -1.816 118.518 120.400 -0.109 0.000 2.432 205 K HA -0.001 4.321 4.320 0.003 0.000 0.196 205 K C -0.724 175.687 176.600 -0.316 0.000 1.038 205 K CA 0.560 56.692 56.287 -0.259 0.000 0.986 205 K CB 0.025 32.261 32.500 -0.440 0.000 0.782 205 K HN 0.603 nan 8.250 nan 0.000 0.485 206 Y N 0.680 121.090 120.300 0.182 0.000 2.748 206 Y HA 0.176 4.728 4.550 0.003 0.000 0.359 206 Y C -1.865 174.290 175.900 0.425 0.000 1.030 206 Y CA -2.270 56.047 58.100 0.361 0.000 1.169 206 Y CB 1.028 39.861 38.460 0.622 0.000 1.127 206 Y HN -0.013 nan 8.280 nan 0.000 0.644 207 P HA -0.073 nan 4.420 nan 0.000 0.226 207 P C 1.515 178.925 177.300 0.183 0.000 1.153 207 P CA 1.096 64.341 63.100 0.242 0.000 0.777 207 P CB 0.390 32.172 31.700 0.136 0.000 0.794 208 G N -0.677 108.232 108.800 0.182 0.000 2.559 208 G HA2 -0.052 3.910 3.960 0.003 0.000 0.216 208 G HA3 -0.052 3.910 3.960 0.003 0.000 0.216 208 G C 0.384 175.274 174.900 -0.017 0.000 1.126 208 G CA 0.517 45.669 45.100 0.086 0.000 0.778 208 G HN 0.264 nan 8.290 nan 0.000 0.543 209 T N 0.959 115.468 114.554 -0.074 0.000 2.829 209 T HA 0.378 4.730 4.350 0.003 0.000 0.280 209 T C -0.625 173.746 174.700 -0.548 0.000 0.999 209 T CA -0.488 61.328 62.100 -0.474 0.000 0.983 209 T CB 1.974 70.228 68.868 -1.022 0.000 0.968 209 T HN -0.096 nan 8.240 nan 0.000 0.446 210 Q N 2.510 122.025 119.800 -0.474 0.000 2.423 210 Q HA 0.154 4.496 4.340 0.003 0.000 0.235 210 Q C -0.951 174.801 176.000 -0.414 0.000 1.100 210 Q CA -0.020 55.601 55.803 -0.304 0.000 0.908 210 Q CB 0.370 29.000 28.738 -0.179 0.000 1.312 210 Q HN 0.580 nan 8.270 nan 0.000 0.497 211 W N 2.729 123.984 121.300 -0.076 0.000 2.272 211 W HA 0.372 5.034 4.660 0.003 0.000 0.318 211 W C 0.746 176.994 176.519 -0.451 0.000 1.255 211 W CA -0.447 56.748 57.345 -0.250 0.000 1.200 211 W CB 0.930 30.308 29.460 -0.137 0.000 1.170 211 W HN 0.230 nan 8.180 nan 0.000 0.549 212 R N 1.651 121.912 120.500 -0.398 0.000 2.837 212 R HA 0.691 5.033 4.340 0.003 0.000 0.271 212 R C -1.415 174.469 176.300 -0.694 0.000 0.993 212 R CA -1.166 54.666 56.100 -0.446 0.000 0.931 212 R CB 1.942 32.134 30.300 -0.180 0.000 1.206 212 R HN 0.348 nan 8.270 nan 0.000 0.474 213 F N 0.033 120.073 119.950 0.150 0.000 2.546 213 F HA 0.406 4.935 4.527 0.003 0.000 0.320 213 F C 0.008 175.842 175.800 0.057 0.000 1.076 213 F CA -0.727 57.389 58.000 0.193 0.000 0.928 213 F CB 2.294 41.473 39.000 0.299 0.000 1.189 213 F HN 0.374 nan 8.300 nan 0.000 0.465 214 E N 1.788 122.132 120.200 0.240 0.000 2.256 214 E HA 0.310 4.662 4.350 0.003 0.000 0.268 214 E C -2.185 174.375 176.600 -0.067 0.000 0.877 214 E CA -0.773 55.622 56.400 -0.010 0.000 0.757 214 E CB 1.915 31.502 29.700 -0.189 0.000 1.183 214 E HN 0.600 nan 8.360 nan 0.000 0.418 215 Y N 2.573 122.731 120.300 -0.236 0.000 2.364 215 Y HA 0.510 5.062 4.550 0.003 0.000 0.340 215 Y C -1.353 174.543 175.900 -0.006 0.000 0.975 215 Y CA -0.686 57.206 58.100 -0.347 0.000 1.089 215 Y CB 1.894 40.187 38.460 -0.278 0.000 1.192 215 Y HN 0.391 nan 8.280 nan 0.000 0.454 216 S N 8.357 123.549 115.700 -0.847 0.000 2.498 216 S HA 0.389 4.861 4.470 0.003 0.000 0.317 216 S C -2.949 171.070 174.600 -0.969 0.000 1.090 216 S CA -1.494 56.325 58.200 -0.635 0.000 1.089 216 S CB 1.457 64.570 63.200 -0.145 0.000 0.997 216 S HN 0.477 nan 8.310 nan 0.000 0.470 217 P HA 0.132 nan 4.420 nan 0.000 0.273 217 P C -0.177 177.145 177.300 0.036 0.000 1.428 217 P CA -0.224 62.796 63.100 -0.134 0.000 0.995 217 P CB 0.246 31.991 31.700 0.076 0.000 1.286 218 E N 2.592 122.839 120.200 0.077 0.000 2.398 218 E HA 0.026 4.378 4.350 0.003 0.000 0.263 218 E C 0.019 176.730 176.600 0.186 0.000 1.046 218 E CA 0.317 56.795 56.400 0.130 0.000 0.908 218 E CB 0.284 30.127 29.700 0.239 0.000 0.963 218 E HN 0.348 nan 8.360 nan 0.000 0.431 219 S N 2.438 118.247 115.700 0.183 0.000 3.698 219 S HA -0.264 4.208 4.470 0.003 0.000 0.338 219 S C 0.450 175.186 174.600 0.226 0.000 1.089 219 S CA 0.970 59.286 58.200 0.193 0.000 0.991 219 S CB -2.113 61.191 63.200 0.173 0.000 0.909 219 S HN 0.717 nan 8.310 nan 0.000 0.485 220 Y N 2.489 122.868 120.300 0.132 0.000 2.151 220 Y HA -0.281 4.271 4.550 0.003 0.000 0.284 220 Y C 2.364 178.376 175.900 0.186 0.000 1.166 220 Y CA 2.454 60.640 58.100 0.143 0.000 1.163 220 Y CB -0.783 37.754 38.460 0.129 0.000 0.974 220 Y HN 0.597 nan 8.280 nan 0.000 0.511 221 T N -2.930 111.674 114.554 0.083 0.000 3.113 221 T HA 0.067 4.419 4.350 0.003 0.000 0.263 221 T C 1.669 176.452 174.700 0.139 0.000 1.143 221 T CA 0.706 62.825 62.100 0.032 0.000 1.090 221 T CB -0.582 68.398 68.868 0.186 0.000 0.922 221 T HN 0.441 nan 8.240 nan 0.000 0.521 222 G N 0.536 109.394 108.800 0.096 0.000 3.502 222 G HA2 0.370 4.332 3.960 0.003 0.000 0.267 222 G HA3 0.370 4.332 3.960 0.003 0.000 0.267 222 G C -0.026 174.886 174.900 0.021 0.000 1.090 222 G CA -0.385 44.754 45.100 0.064 0.000 0.795 222 G HN 0.465 nan 8.290 nan 0.000 0.535 223 T N 1.004 115.558 114.554 -0.001 0.000 2.856 223 T HA 0.402 4.754 4.350 0.003 0.000 0.283 223 T C -0.584 174.103 174.700 -0.021 0.000 1.008 223 T CA -0.533 61.593 62.100 0.043 0.000 0.997 223 T CB 2.209 71.158 68.868 0.135 0.000 0.992 223 T HN 0.172 nan 8.240 nan 0.000 0.454 224 E N 2.035 122.250 120.200 0.024 0.000 2.415 224 E HA 0.083 4.435 4.350 0.003 0.000 0.263 224 E C 1.048 177.651 176.600 0.005 0.000 0.995 224 E CA -0.079 56.310 56.400 -0.018 0.000 0.915 224 E CB 0.350 30.055 29.700 0.009 0.000 0.951 224 E HN 0.483 nan 8.360 nan 0.000 0.449 225 L N 2.498 123.646 121.223 -0.125 0.000 2.046 225 L HA -0.242 4.100 4.340 0.003 0.000 0.208 225 L C 2.084 178.954 176.870 -0.000 0.000 1.077 225 L CA 1.654 56.419 54.840 -0.127 0.000 0.747 225 L CB -0.646 41.109 42.059 -0.506 0.000 0.896 225 L HN 0.605 nan 8.230 nan 0.000 0.432 226 E N -0.227 119.934 120.200 -0.065 0.000 2.153 226 E HA -0.302 4.050 4.350 0.003 0.000 0.194 226 E C 2.032 178.763 176.600 0.219 0.000 0.988 226 E CA 1.583 58.081 56.400 0.164 0.000 0.811 226 E CB -0.885 28.893 29.700 0.129 0.000 0.746 226 E HN 0.567 nan 8.360 nan 0.000 0.466 227 Y N 0.753 121.088 120.300 0.057 0.000 2.286 227 Y HA 0.036 4.588 4.550 0.004 0.000 0.293 227 Y C 2.477 178.431 175.900 0.091 0.000 1.124 227 Y CA 1.177 59.313 58.100 0.061 0.000 1.178 227 Y CB -0.237 38.245 38.460 0.037 0.000 1.010 227 Y HN 0.156 nan 8.280 nan 0.000 0.536 228 A N 0.812 123.678 122.820 0.077 0.000 1.908 228 A HA -0.253 4.069 4.320 0.003 0.000 0.218 228 A C 2.242 179.820 177.584 -0.010 0.000 1.181 228 A CA 2.066 54.135 52.037 0.052 0.000 0.627 228 A CB -0.762 18.406 19.000 0.280 0.000 0.818 228 A HN 0.532 nan 8.150 nan 0.000 0.445 229 K N -0.582 119.878 120.400 0.099 0.000 2.026 229 K HA -0.227 4.095 4.320 0.003 0.000 0.208 229 K C 2.318 178.890 176.600 -0.046 0.000 1.048 229 K CA 1.664 57.985 56.287 0.057 0.000 0.929 229 K CB -0.269 32.367 32.500 0.227 0.000 0.713 229 K HN 0.612 nan 8.250 nan 0.000 0.439 230 Q N 0.434 120.221 119.800 -0.021 0.000 2.077 230 Q HA -0.169 4.173 4.340 0.003 0.000 0.206 230 Q C 1.994 177.902 176.000 -0.154 0.000 0.989 230 Q CA 2.124 57.896 55.803 -0.052 0.000 0.853 230 Q CB 0.028 28.776 28.738 0.017 0.000 0.907 230 Q HN 0.244 nan 8.270 nan 0.000 0.418 231 V N -0.053 119.686 119.914 -0.293 0.000 2.270 231 V HA -0.331 3.791 4.120 0.003 0.000 0.245 231 V C 2.518 178.444 176.094 -0.281 0.000 1.043 231 V CA 1.677 63.791 62.300 -0.311 0.000 1.014 231 V CB -0.725 30.860 31.823 -0.396 0.000 0.645 231 V HN 0.564 nan 8.190 nan 0.000 0.447 232 C N 0.238 119.348 119.300 -0.316 0.000 2.413 232 C HA -0.186 4.276 4.460 0.003 0.000 0.276 232 C C 2.575 177.337 174.990 -0.380 0.000 1.236 232 C CA 1.144 59.788 59.018 -0.623 0.000 1.735 232 C CB -1.121 25.930 27.740 -1.148 0.000 2.031 232 C HN 0.609 nan 8.230 nan 0.000 0.474 233 D N 0.794 121.065 120.400 -0.216 0.000 2.104 233 D HA -0.089 4.553 4.640 0.003 0.000 0.194 233 D C 2.304 178.602 176.300 -0.003 0.000 0.994 233 D CA 1.765 55.739 54.000 -0.042 0.000 0.830 233 D CB -0.598 40.182 40.800 -0.033 0.000 0.959 233 D HN 0.499 nan 8.370 nan 0.000 0.452 234 A N 0.502 123.290 122.820 -0.054 0.000 1.902 234 A HA -0.147 4.175 4.320 0.003 0.000 0.217 234 A C 2.531 180.097 177.584 -0.031 0.000 1.181 234 A CA 1.284 53.295 52.037 -0.043 0.000 0.623 234 A CB -0.782 18.177 19.000 -0.069 0.000 0.818 234 A HN 0.154 nan 8.150 nan 0.000 0.443 235 V N -0.118 119.761 119.914 -0.058 0.000 2.343 235 V HA -0.189 3.933 4.120 0.003 0.000 0.247 235 V C 2.807 178.978 176.094 0.128 0.000 1.051 235 V CA 1.991 64.289 62.300 -0.004 0.000 1.036 235 V CB -1.369 30.382 31.823 -0.120 0.000 0.654 235 V HN 0.625 nan 8.190 nan 0.000 0.451 236 G N -0.706 108.239 108.800 0.243 0.000 2.422 236 G HA2 -0.216 3.746 3.960 0.003 0.000 0.218 236 G HA3 -0.216 3.746 3.960 0.003 0.000 0.218 236 G C 1.477 176.446 174.900 0.115 0.000 1.146 236 G CA 0.586 45.833 45.100 0.244 0.000 0.769 236 G HN 0.466 nan 8.290 nan 0.000 0.547 237 E N 0.298 120.544 120.200 0.076 0.000 2.153 237 E HA -0.077 4.275 4.350 0.003 0.000 0.194 237 E C 2.828 179.441 176.600 0.022 0.000 0.988 237 E CA 0.663 57.087 56.400 0.041 0.000 0.811 237 E CB -0.278 29.436 29.700 0.023 0.000 0.746 237 E HN 0.354 nan 8.360 nan 0.000 0.466 238 V N 1.127 121.047 119.914 0.010 0.000 2.283 238 V HA -0.194 3.928 4.120 0.003 0.000 0.243 238 V C 2.397 178.476 176.094 -0.024 0.000 1.039 238 V CA 1.272 63.558 62.300 -0.022 0.000 1.016 238 V CB -0.357 31.434 31.823 -0.053 0.000 0.650 238 V HN 0.159 nan 8.190 nan 0.000 0.449 239 I N 0.466 121.032 120.570 -0.007 0.000 2.394 239 I HA -0.024 4.148 4.170 0.003 0.000 0.251 239 I C 1.414 177.565 176.117 0.057 0.000 1.136 239 I CA 0.930 62.231 61.300 0.002 0.000 1.425 239 I CB -0.405 37.620 38.000 0.043 0.000 1.079 239 I HN 0.351 nan 8.210 nan 0.000 0.425 240 A N 0.824 123.677 122.820 0.055 0.000 2.519 240 A HA -0.139 4.183 4.320 0.003 0.000 0.297 240 A C -1.812 175.815 177.584 0.071 0.000 1.472 240 A CA -0.065 52.007 52.037 0.057 0.000 0.739 240 A CB -2.230 16.797 19.000 0.045 0.000 1.096 240 A HN 0.319 nan 8.150 nan 0.000 0.414 241 P HA 0.508 nan 4.420 nan 0.000 0.274 241 P C 0.303 177.629 177.300 0.044 0.000 1.246 241 P CA 0.756 63.893 63.100 0.062 0.000 0.795 241 P CB 1.071 32.785 31.700 0.025 0.000 1.006 242 T N -3.787 110.790 114.554 0.038 0.000 2.864 242 T HA 0.445 4.797 4.350 0.003 0.000 0.289 242 T C -2.313 172.397 174.700 0.017 0.000 1.082 242 T CA -2.046 60.071 62.100 0.028 0.000 1.009 242 T CB 1.131 70.017 68.868 0.030 0.000 1.234 242 T HN 0.005 nan 8.240 nan 0.000 0.526 243 P HA -0.012 nan 4.420 nan 0.000 0.218 243 P C 0.879 178.182 177.300 0.004 0.000 1.148 243 P CA 1.081 64.185 63.100 0.006 0.000 0.822 243 P CB 0.067 31.771 31.700 0.007 0.000 0.784 244 E N -1.444 118.761 120.200 0.008 0.000 2.250 244 E HA 0.052 4.404 4.350 0.003 0.000 0.192 244 E C 1.437 178.042 176.600 0.008 0.000 0.986 244 E CA 0.683 57.087 56.400 0.007 0.000 0.849 244 E CB -0.175 29.531 29.700 0.010 0.000 0.797 244 E HN 0.056 nan 8.360 nan 0.000 0.482 245 R N 1.738 122.248 120.500 0.017 0.000 2.651 245 R HA 0.287 4.629 4.340 0.003 0.000 0.282 245 R C -2.818 173.497 176.300 0.024 0.000 1.565 245 R CA -1.719 54.395 56.100 0.024 0.000 1.661 245 R CB -0.791 29.538 30.300 0.049 0.000 1.189 245 R HN 0.019 nan 8.270 nan 0.000 0.621 246 P HA 0.320 nan 4.420 nan 0.000 0.276 246 P C -0.217 177.059 177.300 -0.040 0.000 1.244 246 P CA -0.506 62.580 63.100 -0.023 0.000 0.801 246 P CB 1.269 32.948 31.700 -0.035 0.000 1.006 247 I N 1.460 121.965 120.570 -0.108 0.000 2.499 247 I HA 0.293 4.465 4.170 0.003 0.000 0.296 247 I C -0.037 175.895 176.117 -0.308 0.000 0.992 247 I CA -1.271 59.912 61.300 -0.195 0.000 1.297 247 I CB 0.641 38.427 38.000 -0.356 0.000 1.410 247 I HN 0.168 nan 8.210 nan 0.000 0.507 248 I N 7.057 127.473 120.570 -0.256 0.000 2.331 248 I HA 0.233 4.405 4.170 0.003 0.000 0.292 248 I C -0.906 175.044 176.117 -0.279 0.000 0.998 248 I CA -0.150 61.015 61.300 -0.224 0.000 1.267 248 I CB 0.717 38.628 38.000 -0.148 0.000 1.386 248 I HN 0.358 nan 8.210 nan 0.000 0.476 249 F N 4.816 124.742 119.950 -0.040 0.000 2.411 249 F HA 0.332 4.861 4.527 0.003 0.000 0.352 249 F C 0.300 176.020 175.800 -0.133 0.000 1.123 249 F CA -0.747 57.217 58.000 -0.060 0.000 1.044 249 F CB 1.308 40.299 39.000 -0.015 0.000 1.135 249 F HN 0.452 nan 8.300 nan 0.000 0.461 250 N N 4.689 123.390 118.700 0.001 0.000 2.392 250 N HA 0.484 5.226 4.740 0.003 0.000 0.283 250 N C -1.551 173.861 175.510 -0.163 0.000 1.003 250 N CA -0.433 52.550 53.050 -0.112 0.000 0.892 250 N CB 1.013 39.367 38.487 -0.222 0.000 1.193 250 N HN 0.553 nan 8.380 nan 0.000 0.487 251 L N 5.121 126.235 121.223 -0.182 0.000 2.356 251 L HA 0.502 4.844 4.340 0.003 0.000 0.264 251 L C -2.252 174.600 176.870 -0.030 0.000 1.029 251 L CA -1.724 52.874 54.840 -0.404 0.000 0.897 251 L CB 1.477 43.003 42.059 -0.888 0.000 1.256 251 L HN 0.411 nan 8.230 nan 0.000 0.444 252 P HA 0.179 nan 4.420 nan 0.000 0.285 252 P C -0.413 177.126 177.300 0.399 0.000 1.259 252 P CA -0.491 62.764 63.100 0.258 0.000 0.794 252 P CB 1.967 33.723 31.700 0.093 0.000 0.940 253 A N 3.180 126.172 122.820 0.287 0.000 3.056 253 A HA 0.210 4.532 4.320 0.003 0.000 0.274 253 A C 1.520 179.250 177.584 0.242 0.000 1.661 253 A CA -0.070 52.071 52.037 0.173 0.000 1.363 253 A CB -1.242 17.655 19.000 -0.172 0.000 1.139 253 A HN 0.504 nan 8.150 nan 0.000 0.598 254 T N -0.098 114.615 114.554 0.265 0.000 2.699 254 T HA -0.084 4.268 4.350 0.003 0.000 0.268 254 T C 0.803 175.552 174.700 0.082 0.000 1.036 254 T CA 1.634 63.868 62.100 0.224 0.000 1.147 254 T CB -0.131 68.820 68.868 0.139 0.000 0.862 254 T HN 0.284 nan 8.240 nan 0.000 0.446 255 V N 1.264 121.234 119.914 0.094 0.000 2.495 255 V HA 0.358 4.480 4.120 0.003 0.000 0.298 255 V C 0.136 176.274 176.094 0.073 0.000 1.031 255 V CA -1.208 61.129 62.300 0.062 0.000 0.871 255 V CB 2.075 33.934 31.823 0.060 0.000 0.988 255 V HN 0.296 nan 8.190 nan 0.000 0.432 259 T N 1.708 116.189 114.554 -0.122 0.000 2.898 259 T HA 0.384 4.736 4.350 0.003 0.000 0.301 259 T C -1.550 173.107 174.700 -0.071 0.000 1.049 259 T CA -0.761 61.299 62.100 -0.067 0.000 1.095 259 T CB 0.733 69.589 68.868 -0.020 0.000 0.976 259 T HN 0.469 nan 8.240 nan 0.000 0.539 260 P HA -0.114 nan 4.420 nan 0.000 0.223 260 P C 1.322 178.558 177.300 -0.107 0.000 1.151 260 P CA 0.834 63.902 63.100 -0.054 0.000 0.787 260 P CB -0.052 31.616 31.700 -0.053 0.000 0.788 261 N N 0.674 119.326 118.700 -0.080 0.000 2.223 261 N HA -0.095 4.647 4.740 0.003 0.000 0.185 261 N C 1.546 177.052 175.510 -0.006 0.000 1.016 261 N CA 1.229 54.239 53.050 -0.066 0.000 0.863 261 N CB -1.450 37.211 38.487 0.289 0.000 0.983 261 N HN 0.062 nan 8.380 nan 0.000 0.429 262 V N 0.408 120.315 119.914 -0.012 0.000 2.488 262 V HA -0.168 3.954 4.120 0.003 0.000 0.246 262 V C 2.251 178.319 176.094 -0.043 0.000 1.046 262 V CA 1.214 63.495 62.300 -0.031 0.000 1.053 262 V CB -1.017 30.712 31.823 -0.156 0.000 0.679 262 V HN 0.201 nan 8.190 nan 0.000 0.458 263 Y N 1.743 121.934 120.300 -0.183 0.000 2.181 263 Y HA -0.214 4.338 4.550 0.003 0.000 0.288 263 Y C 2.411 178.244 175.900 -0.112 0.000 1.146 263 Y CA 1.497 59.529 58.100 -0.113 0.000 1.164 263 Y CB -0.573 37.829 38.460 -0.097 0.000 0.982 263 Y HN 0.145 nan 8.280 nan 0.000 0.515 264 A N 0.144 122.796 122.820 -0.281 0.000 1.908 264 A HA -0.218 4.104 4.320 0.003 0.000 0.218 264 A C 1.969 179.329 177.584 -0.374 0.000 1.181 264 A CA 2.059 53.742 52.037 -0.591 0.000 0.627 264 A CB -0.933 17.260 19.000 -1.345 0.000 0.818 264 A HN 0.534 nan 8.150 nan 0.000 0.445 265 D N -0.054 120.297 120.400 -0.083 0.000 2.123 265 D HA -0.156 4.486 4.640 0.003 0.000 0.196 265 D C 2.516 178.909 176.300 0.154 0.000 0.992 265 D CA 1.930 56.067 54.000 0.227 0.000 0.833 265 D CB -0.372 40.580 40.800 0.252 0.000 0.954 265 D HN 0.585 nan 8.370 nan 0.000 0.455 266 S N 0.284 116.014 115.700 0.051 0.000 2.368 266 S HA -0.130 4.342 4.470 0.003 0.000 0.225 266 S C 2.061 176.757 174.600 0.160 0.000 1.030 266 S CA 0.607 58.871 58.200 0.107 0.000 0.999 266 S CB -0.305 62.927 63.200 0.053 0.000 0.844 266 S HN 0.082 nan 8.310 nan 0.000 0.459 267 I N 2.422 122.965 120.570 -0.044 0.000 2.226 267 I HA -0.092 4.080 4.170 0.003 0.000 0.245 267 I C 2.778 178.929 176.117 0.056 0.000 1.100 267 I CA 1.649 62.908 61.300 -0.068 0.000 1.374 267 I CB -1.584 36.270 38.000 -0.243 0.000 1.057 267 I HN 0.538 nan 8.210 nan 0.000 0.413 268 E N -0.280 119.982 120.200 0.103 0.000 2.077 268 E HA -0.222 4.130 4.350 0.003 0.000 0.193 268 E C 1.151 177.860 176.600 0.183 0.000 0.989 268 E CA 0.546 57.042 56.400 0.159 0.000 0.800 268 E CB -0.093 29.765 29.700 0.265 0.000 0.746 268 E HN 0.366 nan 8.360 nan 0.000 0.452 272 R N 1.209 121.639 120.500 -0.115 0.000 2.119 272 R HA 0.276 4.618 4.340 0.003 0.000 0.222 272 R C 1.302 177.444 176.300 -0.263 0.000 1.088 272 R CA 1.255 57.251 56.100 -0.173 0.000 0.984 272 R CB -0.083 30.092 30.300 -0.209 0.000 0.884 272 R HN 0.396 nan 8.270 nan 0.000 0.447 273 N N -0.460 117.996 118.700 -0.406 0.000 2.273 273 N HA 0.019 4.761 4.740 0.003 0.000 0.192 273 N C -0.240 175.100 175.510 -0.283 0.000 1.132 273 N CA -0.102 52.646 53.050 -0.502 0.000 0.887 273 N CB 0.550 38.340 38.487 -1.162 0.000 1.048 273 N HN -0.022 nan 8.380 nan 0.000 0.490 274 L N 2.324 123.443 121.223 -0.174 0.000 2.525 274 L HA 0.097 4.439 4.340 0.003 0.000 0.278 274 L C 0.751 177.607 176.870 -0.025 0.000 1.218 274 L CA -0.266 54.536 54.840 -0.064 0.000 0.878 274 L CB -0.113 41.952 42.059 0.011 0.000 1.127 274 L HN 0.058 nan 8.230 nan 0.000 0.492 275 A N 4.007 126.829 122.820 0.003 0.000 2.425 275 A HA 0.186 4.508 4.320 0.003 0.000 0.242 275 A C 1.039 178.660 177.584 0.061 0.000 1.077 275 A CA 0.428 52.478 52.037 0.022 0.000 0.781 275 A CB -0.405 18.611 19.000 0.027 0.000 1.020 275 A HN 0.964 nan 8.150 nan 0.000 0.494 276 N N -0.981 117.744 118.700 0.043 0.000 2.758 276 N HA -0.224 4.518 4.740 0.003 0.000 0.248 276 N C 0.973 176.517 175.510 0.057 0.000 1.076 276 N CA 0.647 53.728 53.050 0.051 0.000 0.696 276 N CB -0.354 38.174 38.487 0.069 0.000 0.979 276 N HN 0.741 nan 8.380 nan 0.000 0.550 277 R N 0.636 121.161 120.500 0.041 0.000 2.120 277 R HA -0.124 4.218 4.340 0.003 0.000 0.234 277 R C 2.252 178.570 176.300 0.029 0.000 1.123 277 R CA 2.649 58.774 56.100 0.042 0.000 0.975 277 R CB -0.554 29.755 30.300 0.015 0.000 0.866 277 R HN 0.556 nan 8.270 nan 0.000 0.446 278 E N -0.572 119.639 120.200 0.019 0.000 2.333 278 E HA -0.044 4.308 4.350 0.003 0.000 0.198 278 E C 1.496 178.102 176.600 0.010 0.000 1.007 278 E CA 1.449 57.856 56.400 0.012 0.000 0.845 278 E CB -0.447 29.258 29.700 0.009 0.000 0.766 278 E HN 0.476 nan 8.360 nan 0.000 0.507 279 S N -0.568 115.141 115.700 0.015 0.000 2.582 279 S HA 0.377 4.849 4.470 0.003 0.000 0.234 279 S C -0.139 174.445 174.600 -0.026 0.000 0.961 279 S CA -0.159 58.043 58.200 0.003 0.000 0.953 279 S CB 0.624 63.833 63.200 0.015 0.000 0.800 279 S HN 0.299 nan 8.310 nan 0.000 0.471 280 V N 2.302 122.207 119.914 -0.014 0.000 2.540 280 V HA 0.462 4.583 4.120 0.003 0.000 0.302 280 V C -0.428 175.648 176.094 -0.030 0.000 1.035 280 V CA -0.709 61.566 62.300 -0.042 0.000 0.873 280 V CB 1.796 33.663 31.823 0.074 0.000 0.992 280 V HN 0.307 nan 8.190 nan 0.000 0.428 281 I N 5.438 125.968 120.570 -0.067 0.000 2.297 281 I HA 0.334 4.506 4.170 0.003 0.000 0.291 281 I C -0.189 175.913 176.117 -0.026 0.000 1.033 281 I CA -0.223 61.051 61.300 -0.044 0.000 1.253 281 I CB 1.144 39.105 38.000 -0.064 0.000 1.396 281 I HN 0.393 nan 8.210 nan 0.000 0.476 282 L N 6.447 127.676 121.223 0.010 0.000 2.278 282 L HA 0.348 4.690 4.340 0.003 0.000 0.287 282 L C 0.096 176.963 176.870 -0.005 0.000 1.072 282 L CA 0.220 55.078 54.840 0.030 0.000 0.819 282 L CB 1.159 43.244 42.059 0.043 0.000 1.176 282 L HN 0.568 nan 8.230 nan 0.000 0.435 283 S N 5.352 121.040 115.700 -0.020 0.000 2.503 283 S HA 0.690 5.162 4.470 0.003 0.000 0.301 283 S C -0.664 173.927 174.600 -0.015 0.000 1.087 283 S CA -0.717 57.460 58.200 -0.038 0.000 1.042 283 S CB 1.238 64.399 63.200 -0.064 0.000 1.043 283 S HN 0.543 nan 8.310 nan 0.000 0.489 284 L N 3.670 124.906 121.223 0.021 0.000 2.334 284 L HA 0.543 4.885 4.340 0.003 0.000 0.273 284 L C -0.532 176.419 176.870 0.135 0.000 1.013 284 L CA -0.765 54.145 54.840 0.115 0.000 0.816 284 L CB 1.739 43.893 42.059 0.159 0.000 1.278 284 L HN 0.882 nan 8.230 nan 0.000 0.431 285 H N 2.193 121.287 119.070 0.041 0.000 2.562 285 H HA 0.344 4.902 4.556 0.003 0.000 0.230 285 H C -2.746 172.532 175.328 -0.084 0.000 1.415 285 H CA -1.373 54.651 56.048 -0.040 0.000 1.454 285 H CB 1.078 30.822 29.762 -0.030 0.000 1.716 285 H HN 0.278 nan 8.280 nan 0.000 0.538 286 P HA 0.181 nan 4.420 nan 0.000 0.285 286 P C -0.378 176.729 177.300 -0.323 0.000 1.259 286 P CA -0.156 62.804 63.100 -0.234 0.000 0.794 286 P CB 1.100 32.621 31.700 -0.299 0.000 0.940 287 H N 1.397 120.413 119.070 -0.090 0.000 2.585 287 H HA 0.286 4.844 4.556 0.004 0.000 0.338 287 H C 0.227 175.507 175.328 -0.080 0.000 1.295 287 H CA -0.345 55.663 56.048 -0.066 0.000 1.356 287 H CB 1.445 31.201 29.762 -0.010 0.000 1.736 287 H HN 0.441 nan 8.280 nan 0.000 0.629 288 N N 0.355 119.109 118.700 0.090 0.000 2.338 288 N HA -0.003 4.739 4.740 0.003 0.000 0.251 288 N C -0.521 174.993 175.510 0.007 0.000 1.199 288 N CA -0.068 52.989 53.050 0.012 0.000 0.879 288 N CB 0.335 38.825 38.487 0.005 0.000 1.159 288 N HN 0.467 nan 8.380 nan 0.000 0.514 289 D N 0.146 120.555 120.400 0.016 0.000 2.218 289 D HA -0.094 4.548 4.640 0.003 0.000 0.204 289 D C 1.182 177.471 176.300 -0.018 0.000 0.976 289 D CA 1.033 55.033 54.000 -0.000 0.000 0.853 289 D CB 0.260 41.063 40.800 0.005 0.000 0.939 289 D HN 0.221 nan 8.370 nan 0.000 0.481 290 R N -0.551 119.933 120.500 -0.027 0.000 2.393 290 R HA 0.279 4.621 4.340 0.003 0.000 0.244 290 R C 0.952 177.230 176.300 -0.038 0.000 0.920 290 R CA 0.317 56.396 56.100 -0.035 0.000 1.076 290 R CB 0.778 31.055 30.300 -0.039 0.000 1.119 290 R HN 0.129 nan 8.270 nan 0.000 0.524 291 G N 1.464 110.241 108.800 -0.038 0.000 2.153 291 G HA2 -0.318 3.644 3.960 0.003 0.000 0.252 291 G HA3 -0.318 3.644 3.960 0.003 0.000 0.252 291 G C 0.612 175.485 174.900 -0.045 0.000 0.994 291 G CA 1.004 46.078 45.100 -0.043 0.000 0.698 291 G HN 0.439 nan 8.290 nan 0.000 0.521 292 T N -3.789 110.735 114.554 -0.050 0.000 3.296 292 T HA 0.696 5.048 4.350 0.003 0.000 0.285 292 T C 1.929 176.588 174.700 -0.069 0.000 1.014 292 T CA 0.967 63.036 62.100 -0.051 0.000 0.920 292 T CB 0.863 69.703 68.868 -0.047 0.000 1.143 292 T HN 1.250 nan 8.240 nan 0.000 0.522 293 A N 1.479 124.254 122.820 -0.075 0.000 1.883 293 A HA 0.025 4.347 4.320 0.003 0.000 0.217 293 A C 2.318 179.862 177.584 -0.067 0.000 1.186 293 A CA 1.731 53.709 52.037 -0.099 0.000 0.624 293 A CB -1.083 17.861 19.000 -0.093 0.000 0.822 293 A HN 0.427 nan 8.150 nan 0.000 0.444 294 V N -0.173 119.722 119.914 -0.032 0.000 2.287 294 V HA -0.288 3.834 4.120 0.003 0.000 0.248 294 V C 3.064 179.171 176.094 0.022 0.000 1.053 294 V CA 2.116 64.421 62.300 0.008 0.000 1.027 294 V CB -1.266 30.570 31.823 0.022 0.000 0.646 294 V HN 0.638 nan 8.190 nan 0.000 0.447 295 A N -0.199 122.624 122.820 0.005 0.000 1.933 295 A HA -0.093 4.229 4.320 0.003 0.000 0.218 295 A C 2.422 180.005 177.584 -0.001 0.000 1.175 295 A CA 2.020 54.064 52.037 0.012 0.000 0.628 295 A CB -0.756 18.246 19.000 0.004 0.000 0.814 295 A HN 0.582 nan 8.150 nan 0.000 0.444 296 A N -0.085 122.716 122.820 -0.032 0.000 1.902 296 A HA 0.138 4.460 4.320 0.003 0.000 0.217 296 A C 2.500 180.151 177.584 0.113 0.000 1.181 296 A CA 2.138 54.169 52.037 -0.011 0.000 0.623 296 A CB -0.985 17.866 19.000 -0.249 0.000 0.818 296 A HN 1.037 nan 8.150 nan 0.000 0.443 297 A N -0.316 122.543 122.820 0.065 0.000 1.898 297 A HA -0.152 4.170 4.320 0.003 0.000 0.216 297 A C 1.942 179.612 177.584 0.144 0.000 1.181 297 A CA 1.659 53.764 52.037 0.113 0.000 0.620 297 A CB -0.495 18.547 19.000 0.069 0.000 0.819 297 A HN 0.629 nan 8.150 nan 0.000 0.442 298 E N -0.183 120.093 120.200 0.126 0.000 2.072 298 E HA -0.088 4.264 4.350 0.003 0.000 0.191 298 E C 1.958 178.632 176.600 0.124 0.000 0.985 298 E CA 1.101 57.599 56.400 0.163 0.000 0.801 298 E CB -0.233 29.550 29.700 0.140 0.000 0.750 298 E HN 0.614 nan 8.360 nan 0.000 0.452 299 L N 0.041 121.277 121.223 0.023 0.000 2.109 299 L HA -0.015 4.327 4.340 0.003 0.000 0.207 299 L C 2.555 179.315 176.870 -0.184 0.000 1.086 299 L CA 0.970 55.731 54.840 -0.131 0.000 0.760 299 L CB -0.601 41.211 42.059 -0.412 0.000 0.910 299 L HN 0.226 nan 8.230 nan 0.000 0.437 300 G N -0.330 108.432 108.800 -0.063 0.000 2.432 300 G HA2 -0.294 3.668 3.960 0.003 0.000 0.219 300 G HA3 -0.294 3.668 3.960 0.003 0.000 0.219 300 G C 1.590 176.542 174.900 0.086 0.000 1.135 300 G CA 0.375 45.450 45.100 -0.043 0.000 0.767 300 G HN 0.350 nan 8.290 nan 0.000 0.550 301 F N 1.804 121.736 119.950 -0.030 0.000 2.146 301 F HA 0.104 4.633 4.527 0.003 0.000 0.298 301 F C 2.830 178.630 175.800 -0.001 0.000 1.096 301 F CA 0.936 58.920 58.000 -0.027 0.000 1.275 301 F CB 0.175 39.154 39.000 -0.035 0.000 1.008 301 F HN 0.239 nan 8.300 nan 0.000 0.480 302 A N 0.397 123.196 122.820 -0.036 0.000 2.019 302 A HA -0.100 4.222 4.320 0.003 0.000 0.219 302 A C 2.080 179.695 177.584 0.052 0.000 1.164 302 A CA 1.382 53.380 52.037 -0.065 0.000 0.644 302 A CB -1.206 17.848 19.000 0.089 0.000 0.805 302 A HN 0.465 nan 8.150 nan 0.000 0.449 303 A N -2.005 120.859 122.820 0.074 0.000 2.235 303 A HA 0.412 4.734 4.320 0.003 0.000 0.208 303 A C 1.656 179.284 177.584 0.073 0.000 1.172 303 A CA 1.278 53.385 52.037 0.117 0.000 0.786 303 A CB -0.705 18.279 19.000 -0.027 0.000 0.804 303 A HN 1.762 nan 8.150 nan 0.000 0.479 304 G N -2.524 106.299 108.800 0.038 0.000 2.205 304 G HA2 0.194 4.156 3.960 0.003 0.000 0.180 304 G HA3 0.194 4.156 3.960 0.003 0.000 0.180 304 G C 0.447 175.392 174.900 0.074 0.000 1.004 304 G CA 0.046 45.167 45.100 0.036 0.000 0.670 304 G HN 1.411 nan 8.290 nan 0.000 0.496 305 A N 0.196 123.090 122.820 0.123 0.000 2.448 305 A HA 0.546 4.868 4.320 0.003 0.000 0.239 305 A C 1.010 178.739 177.584 0.241 0.000 1.080 305 A CA 1.031 53.156 52.037 0.145 0.000 0.779 305 A CB 0.305 19.377 19.000 0.120 0.000 1.026 305 A HN 0.205 nan 8.150 nan 0.000 0.499 306 D N -0.735 119.724 120.400 0.098 0.000 2.454 306 D HA 0.148 4.790 4.640 0.003 0.000 0.214 306 D C 0.544 176.768 176.300 -0.128 0.000 1.088 306 D CA 0.482 54.515 54.000 0.054 0.000 0.855 306 D CB 0.550 41.359 40.800 0.015 0.000 1.025 306 D HN 0.551 nan 8.370 nan 0.000 0.502 307 R N 0.499 120.892 120.500 -0.179 0.000 2.643 307 R HA 0.553 4.895 4.340 0.003 0.000 0.269 307 R C -1.907 174.271 176.300 -0.204 0.000 1.037 307 R CA -0.456 55.507 56.100 -0.228 0.000 0.894 307 R CB 1.836 32.063 30.300 -0.121 0.000 1.238 307 R HN -0.183 nan 8.270 nan 0.000 0.459 308 I N 2.459 122.914 120.570 -0.192 0.000 2.534 308 I HA 0.300 4.472 4.170 0.003 0.000 0.288 308 I C -0.567 175.577 176.117 0.044 0.000 1.077 308 I CA -0.746 60.512 61.300 -0.070 0.000 1.051 308 I CB 2.315 40.267 38.000 -0.080 0.000 1.234 308 I HN 0.494 nan 8.210 nan 0.000 0.425 309 E N 4.260 124.468 120.200 0.015 0.000 2.197 309 E HA 0.680 5.032 4.350 0.003 0.000 0.281 309 E C -0.085 176.438 176.600 -0.130 0.000 0.995 309 E CA -0.405 55.986 56.400 -0.014 0.000 0.808 309 E CB 2.432 32.170 29.700 0.064 0.000 1.093 309 E HN 0.849 nan 8.360 nan 0.000 0.394 310 G N 1.089 109.809 108.800 -0.133 0.000 2.619 310 G HA2 0.441 4.403 3.960 0.003 0.000 0.305 310 G HA3 0.441 4.403 3.960 0.003 0.000 0.305 310 G C -1.311 173.477 174.900 -0.187 0.000 1.330 310 G CA -0.411 44.572 45.100 -0.196 0.000 0.789 310 G HN 0.592 nan 8.290 nan 0.000 0.487 311 C N -0.484 118.715 119.300 -0.167 0.000 2.779 311 C HA 0.677 5.139 4.460 0.003 0.000 0.314 311 C C 0.304 175.211 174.990 -0.138 0.000 1.231 311 C CA -0.655 58.277 59.018 -0.144 0.000 1.652 311 C CB 1.003 28.695 27.740 -0.080 0.000 2.198 311 C HN 0.687 nan 8.230 nan 0.000 0.483 312 L N 2.447 123.587 121.223 -0.138 0.000 2.462 312 L HA 0.180 4.522 4.340 0.003 0.000 0.272 312 L C 0.036 176.893 176.870 -0.021 0.000 1.166 312 L CA 0.366 55.113 54.840 -0.155 0.000 0.880 312 L CB -0.301 41.713 42.059 -0.075 0.000 1.142 312 L HN 0.763 nan 8.230 nan 0.000 0.473 313 F N 1.987 121.899 119.950 -0.064 0.000 3.057 313 F HA -0.226 4.303 4.527 0.004 0.000 0.287 313 F C 1.453 177.279 175.800 0.043 0.000 0.834 313 F CA 1.045 58.948 58.000 -0.162 0.000 1.147 313 F CB -2.053 36.761 39.000 -0.310 0.000 1.245 313 F HN 0.851 nan 8.300 nan 0.000 0.509 314 G N -0.086 108.811 108.800 0.161 0.000 2.176 314 G HA2 -0.374 3.588 3.960 0.003 0.000 0.252 314 G HA3 -0.374 3.588 3.960 0.003 0.000 0.252 314 G C 0.138 175.103 174.900 0.108 0.000 1.024 314 G CA 0.215 45.402 45.100 0.146 0.000 0.755 314 G HN 0.730 nan 8.290 nan 0.000 0.507 315 N N 0.607 119.357 118.700 0.083 0.000 2.444 315 N HA 0.591 5.333 4.740 0.003 0.000 0.255 315 N C 0.744 176.283 175.510 0.048 0.000 1.255 315 N CA 1.815 54.903 53.050 0.062 0.000 0.933 315 N CB 0.821 39.337 38.487 0.048 0.000 1.143 315 N HN 1.545 nan 8.380 nan 0.000 0.453 316 G N 0.626 109.468 108.800 0.070 0.000 2.369 316 G HA2 -0.020 3.942 3.960 0.003 0.000 0.307 316 G HA3 -0.020 3.942 3.960 0.003 0.000 0.307 316 G C -1.608 173.369 174.900 0.129 0.000 1.327 316 G CA -0.887 44.281 45.100 0.114 0.000 0.963 316 G HN 0.513 nan 8.290 nan 0.000 0.590 317 E N 1.108 121.395 120.200 0.146 0.000 2.652 317 E HA 0.067 4.419 4.350 0.003 0.000 0.255 317 E C 1.443 178.053 176.600 0.018 0.000 0.952 317 E CA 0.982 57.400 56.400 0.030 0.000 0.947 317 E CB 0.373 30.011 29.700 -0.104 0.000 0.912 317 E HN 0.718 nan 8.360 nan 0.000 0.489 318 R N 0.463 120.969 120.500 0.010 0.000 3.937 318 R HA -0.321 4.021 4.340 0.003 0.000 0.317 318 R C 1.753 178.070 176.300 0.027 0.000 0.307 318 R CA 2.493 58.597 56.100 0.006 0.000 1.084 318 R CB -1.983 28.306 30.300 -0.019 0.000 0.948 318 R HN 0.710 nan 8.270 nan 0.000 0.579 319 T N -0.114 114.460 114.554 0.034 0.000 3.118 319 T HA 0.335 4.687 4.350 0.003 0.000 0.260 319 T C 0.941 175.685 174.700 0.074 0.000 1.139 319 T CA 0.959 63.083 62.100 0.041 0.000 1.085 319 T CB 0.378 69.262 68.868 0.027 0.000 0.934 319 T HN 1.220 nan 8.240 nan 0.000 0.518 320 G N 0.901 109.781 108.800 0.134 0.000 2.619 320 G HA2 -0.098 3.864 3.960 0.003 0.000 0.686 320 G HA3 -0.098 3.864 3.960 0.003 0.000 0.686 320 G C -1.030 173.958 174.900 0.147 0.000 1.256 320 G CA -0.907 44.278 45.100 0.141 0.000 0.826 320 G HN 0.407 nan 8.290 nan 0.000 0.619 321 N N -1.123 117.556 118.700 -0.035 0.000 2.424 321 N HA 0.332 5.073 4.740 0.003 0.000 0.257 321 N C 0.739 176.130 175.510 -0.199 0.000 1.250 321 N CA -0.044 52.794 53.050 -0.355 0.000 0.946 321 N CB 1.912 40.167 38.487 -0.386 0.000 1.175 321 N HN 0.726 nan 8.380 nan 0.000 0.477 322 V N 1.163 120.934 119.914 -0.239 0.000 2.788 322 V HA -0.106 4.016 4.120 0.003 0.000 0.307 322 V C 0.410 176.458 176.094 -0.076 0.000 1.069 322 V CA -0.271 61.956 62.300 -0.123 0.000 1.173 322 V CB 0.369 32.128 31.823 -0.107 0.000 0.925 322 V HN 0.763 nan 8.190 nan 0.000 0.492 323 C N 7.523 126.812 119.300 -0.019 0.000 2.555 323 C HA 0.278 4.740 4.460 0.003 0.000 0.385 323 C C 1.583 176.534 174.990 -0.064 0.000 1.296 323 C CA -0.489 58.526 59.018 -0.005 0.000 1.757 323 C CB -1.586 26.229 27.740 0.125 0.000 2.445 323 C HN 0.991 nan 8.230 nan 0.000 0.571 324 L N 5.221 126.362 121.223 -0.136 0.000 2.201 324 L HA -0.075 4.267 4.340 0.003 0.000 0.212 324 L C 2.314 179.016 176.870 -0.279 0.000 1.105 324 L CA 0.945 55.659 54.840 -0.211 0.000 0.775 324 L CB -0.397 41.512 42.059 -0.250 0.000 0.913 324 L HN 0.705 nan 8.230 nan 0.000 0.440 325 V N -0.680 119.033 119.914 -0.335 0.000 2.307 325 V HA -0.241 3.881 4.120 0.003 0.000 0.245 325 V C 2.527 178.303 176.094 -0.531 0.000 1.045 325 V CA 2.258 64.220 62.300 -0.564 0.000 1.024 325 V CB -0.629 30.704 31.823 -0.816 0.000 0.651 325 V HN 0.446 nan 8.190 nan 0.000 0.449 326 T N 0.555 115.004 114.554 -0.174 0.000 2.708 326 T HA -0.122 4.230 4.350 0.003 0.000 0.266 326 T C 1.918 176.607 174.700 -0.019 0.000 1.037 326 T CA 1.523 63.654 62.100 0.051 0.000 1.146 326 T CB -0.307 68.648 68.868 0.145 0.000 0.865 326 T HN 0.267 nan 8.240 nan 0.000 0.435 327 L N 0.606 121.818 121.223 -0.019 0.000 2.046 327 L HA -0.032 4.310 4.340 0.003 0.000 0.208 327 L C 2.996 179.932 176.870 0.110 0.000 1.077 327 L CA 1.454 56.364 54.840 0.117 0.000 0.747 327 L CB -0.939 41.281 42.059 0.268 0.000 0.896 327 L HN 0.366 nan 8.230 nan 0.000 0.432 328 G N -0.129 108.572 108.800 -0.165 0.000 2.404 328 G HA2 -0.175 3.787 3.960 0.003 0.000 0.215 328 G HA3 -0.175 3.787 3.960 0.003 0.000 0.215 328 G C 1.585 176.330 174.900 -0.257 0.000 1.174 328 G CA 0.385 45.407 45.100 -0.129 0.000 0.780 328 G HN 0.231 nan 8.290 nan 0.000 0.537 329 L N 0.589 121.373 121.223 -0.731 0.000 2.291 329 L HA 0.020 4.361 4.340 0.003 0.000 0.214 329 L C 2.374 179.045 176.870 -0.333 0.000 1.120 329 L CA 0.278 54.667 54.840 -0.752 0.000 0.799 329 L CB -0.269 40.792 42.059 -1.663 0.000 0.925 329 L HN 0.092 nan 8.230 nan 0.000 0.446 330 N N 0.008 118.652 118.700 -0.094 0.000 2.309 330 N HA -0.086 4.656 4.740 0.003 0.000 0.182 330 N C 1.836 177.427 175.510 0.135 0.000 1.018 330 N CA 1.011 54.148 53.050 0.144 0.000 0.876 330 N CB -0.084 38.512 38.487 0.181 0.000 0.972 330 N HN 0.306 nan 8.380 nan 0.000 0.434 331 L N -0.897 120.414 121.223 0.146 0.000 2.049 331 L HA -0.042 4.300 4.340 0.003 0.000 0.203 331 L C 2.079 179.042 176.870 0.154 0.000 1.074 331 L CA 0.718 55.663 54.840 0.176 0.000 0.749 331 L CB -0.575 41.636 42.059 0.253 0.000 0.907 331 L HN 0.022 nan 8.230 nan 0.000 0.439 332 F N 1.698 121.660 119.950 0.020 0.000 2.091 332 F HA -0.313 4.217 4.527 0.005 0.000 0.299 332 F C 2.703 178.515 175.800 0.021 0.000 1.103 332 F CA 1.827 59.832 58.000 0.009 0.000 1.228 332 F CB -0.506 38.464 39.000 -0.051 0.000 0.984 332 F HN 0.141 nan 8.300 nan 0.000 0.477 333 S N -0.567 115.046 115.700 -0.145 0.000 2.561 333 S HA 0.028 4.500 4.470 0.003 0.000 0.225 333 S C 1.577 176.112 174.600 -0.108 0.000 0.977 333 S CA 0.218 58.302 58.200 -0.193 0.000 0.926 333 S CB -0.357 62.913 63.200 0.116 0.000 0.769 333 S HN 0.415 nan 8.310 nan 0.000 0.533 334 R N 0.590 121.058 120.500 -0.054 0.000 2.577 334 R HA 0.304 4.646 4.340 0.003 0.000 0.344 334 R C 1.039 177.322 176.300 -0.028 0.000 1.037 334 R CA 0.439 56.529 56.100 -0.017 0.000 1.102 334 R CB 0.202 30.524 30.300 0.036 0.000 1.313 334 R HN 0.560 nan 8.270 nan 0.000 0.561 335 G N 1.000 109.748 108.800 -0.086 0.000 2.147 335 G HA2 -0.239 3.723 3.960 0.003 0.000 0.244 335 G HA3 -0.239 3.723 3.960 0.003 0.000 0.244 335 G C -0.086 174.819 174.900 0.008 0.000 1.005 335 G CA 0.161 45.222 45.100 -0.065 0.000 0.713 335 G HN 0.134 nan 8.290 nan 0.000 0.515 336 V N 0.598 120.543 119.914 0.051 0.000 2.448 336 V HA 0.483 4.605 4.120 0.003 0.000 0.295 336 V C 0.106 176.297 176.094 0.162 0.000 1.025 336 V CA -0.874 61.486 62.300 0.099 0.000 0.859 336 V CB 1.875 33.765 31.823 0.113 0.000 0.988 336 V HN 0.356 nan 8.190 nan 0.000 0.431 337 D N 7.397 127.891 120.400 0.157 0.000 2.401 337 D HA 0.163 4.804 4.640 0.003 0.000 0.254 337 D C -1.199 175.230 176.300 0.215 0.000 1.192 337 D CA -1.645 52.467 54.000 0.187 0.000 0.885 337 D CB 1.701 42.578 40.800 0.127 0.000 1.147 337 D HN 0.285 nan 8.370 nan 0.000 0.478 338 P HA -0.067 nan 4.420 nan 0.000 0.236 338 P C -0.284 177.236 177.300 0.367 0.000 1.177 338 P CA 0.491 63.830 63.100 0.397 0.000 0.773 338 P CB 0.199 32.166 31.700 0.445 0.000 0.878 339 Q N -1.379 118.518 119.800 0.162 0.000 2.503 339 Q HA -0.119 4.223 4.340 0.003 0.000 0.267 339 Q C -0.295 175.644 176.000 -0.102 0.000 1.030 339 Q CA 0.456 56.292 55.803 0.055 0.000 1.041 339 Q CB -1.458 27.338 28.738 0.098 0.000 1.406 339 Q HN 0.343 nan 8.270 nan 0.000 0.524 340 I N 0.279 120.703 120.570 -0.244 0.000 2.686 340 I HA 0.266 4.438 4.170 0.003 0.000 0.295 340 I C -0.251 175.429 176.117 -0.727 0.000 1.114 340 I CA -0.772 60.134 61.300 -0.658 0.000 1.038 340 I CB 2.008 39.384 38.000 -1.040 0.000 1.238 340 I HN -0.068 nan 8.210 nan 0.000 0.420 341 D N 4.314 124.279 120.400 -0.725 0.000 2.316 341 D HA 0.383 5.025 4.640 0.003 0.000 0.245 341 D C -0.289 175.574 176.300 -0.727 0.000 1.171 341 D CA 0.155 53.816 54.000 -0.564 0.000 0.856 341 D CB 0.443 41.038 40.800 -0.342 0.000 1.090 341 D HN 0.246 nan 8.370 nan 0.000 0.476 342 F N 1.705 121.493 119.950 -0.270 0.000 2.735 342 F HA 0.196 4.724 4.527 0.001 0.000 0.304 342 F C 2.075 177.740 175.800 -0.225 0.000 1.119 342 F CA -0.403 57.450 58.000 -0.245 0.000 1.280 342 F CB 0.220 39.037 39.000 -0.306 0.000 0.994 342 F HN 0.272 nan 8.300 nan 0.000 0.520 343 S N 0.186 115.824 115.700 -0.103 0.000 2.440 343 S HA -0.179 4.293 4.470 0.003 0.000 0.238 343 S C 1.070 175.641 174.600 -0.048 0.000 1.010 343 S CA 1.216 59.354 58.200 -0.104 0.000 0.972 343 S CB -0.288 62.847 63.200 -0.107 0.000 0.774 343 S HN 0.324 nan 8.310 nan 0.000 0.501 344 N N 0.278 118.967 118.700 -0.018 0.000 2.790 344 N HA 0.282 5.024 4.740 0.003 0.000 0.256 344 N C 0.215 175.765 175.510 0.066 0.000 1.409 344 N CA -0.175 52.885 53.050 0.017 0.000 0.799 344 N CB 0.139 38.629 38.487 0.004 0.000 1.170 344 N HN 0.197 nan 8.380 nan 0.000 0.507 345 I N 0.715 121.350 120.570 0.108 0.000 2.394 345 I HA -0.168 4.004 4.170 0.003 0.000 0.251 345 I C 0.929 177.161 176.117 0.192 0.000 1.136 345 I CA 1.091 62.508 61.300 0.195 0.000 1.425 345 I CB 0.386 38.532 38.000 0.244 0.000 1.079 345 I HN 0.264 nan 8.210 nan 0.000 0.425 346 D N 0.630 121.107 120.400 0.129 0.000 2.144 346 D HA -0.261 4.381 4.640 0.003 0.000 0.199 346 D C 1.952 178.296 176.300 0.074 0.000 0.984 346 D CA 1.239 55.293 54.000 0.091 0.000 0.834 346 D CB -0.121 40.720 40.800 0.069 0.000 0.955 346 D HN 0.504 nan 8.370 nan 0.000 0.465 347 E N 0.171 120.413 120.200 0.070 0.000 2.077 347 E HA -0.142 4.210 4.350 0.003 0.000 0.193 347 E C 2.254 178.902 176.600 0.080 0.000 0.989 347 E CA 0.610 57.044 56.400 0.055 0.000 0.800 347 E CB -0.027 29.694 29.700 0.035 0.000 0.746 347 E HN 0.244 nan 8.360 nan 0.000 0.452 348 I N 0.576 121.219 120.570 0.121 0.000 2.179 348 I HA -0.270 3.902 4.170 0.003 0.000 0.242 348 I C 2.878 179.139 176.117 0.239 0.000 1.088 348 I CA 1.181 62.589 61.300 0.181 0.000 1.357 348 I CB -0.368 37.772 38.000 0.233 0.000 1.051 348 I HN 0.110 nan 8.210 nan 0.000 0.409 349 R N 1.338 121.970 120.500 0.220 0.000 2.080 349 R HA -0.202 4.140 4.340 0.003 0.000 0.236 349 R C 2.497 178.781 176.300 -0.028 0.000 1.137 349 R CA 1.736 57.822 56.100 -0.024 0.000 0.943 349 R CB -0.195 29.998 30.300 -0.178 0.000 0.846 349 R HN 0.251 nan 8.270 nan 0.000 0.431 350 R N -0.616 119.893 120.500 0.015 0.000 2.091 350 R HA -0.092 4.250 4.340 0.003 0.000 0.238 350 R C 2.314 178.661 176.300 0.078 0.000 1.136 350 R CA 2.106 58.222 56.100 0.026 0.000 0.959 350 R CB -0.367 29.947 30.300 0.023 0.000 0.856 350 R HN 0.335 nan 8.270 nan 0.000 0.437 351 T N 0.525 115.137 114.554 0.097 0.000 2.737 351 T HA -0.079 4.273 4.350 0.003 0.000 0.265 351 T C 1.994 176.799 174.700 0.175 0.000 1.038 351 T CA 1.214 63.405 62.100 0.153 0.000 1.144 351 T CB -0.153 68.786 68.868 0.119 0.000 0.866 351 T HN -0.012 nan 8.240 nan 0.000 0.434 352 V N 1.609 121.601 119.914 0.130 0.000 2.392 352 V HA -0.183 3.939 4.120 0.003 0.000 0.249 352 V C 2.473 178.597 176.094 0.050 0.000 1.059 352 V CA 1.706 64.070 62.300 0.107 0.000 1.051 352 V CB -0.564 31.373 31.823 0.189 0.000 0.658 352 V HN 0.550 nan 8.190 nan 0.000 0.455 353 E N -1.096 119.123 120.200 0.031 0.000 2.107 353 E HA -0.209 4.143 4.350 0.003 0.000 0.191 353 E C 2.088 178.717 176.600 0.047 0.000 0.982 353 E CA 1.360 57.763 56.400 0.005 0.000 0.809 353 E CB -0.208 29.477 29.700 -0.025 0.000 0.756 353 E HN 0.785 nan 8.360 nan 0.000 0.459 354 Y N 0.793 121.085 120.300 -0.013 0.000 2.145 354 Y HA -0.265 4.287 4.550 0.003 0.000 0.286 354 Y C 2.139 178.037 175.900 -0.003 0.000 1.145 354 Y CA 1.297 59.394 58.100 -0.006 0.000 1.148 354 Y CB -0.585 37.876 38.460 0.001 0.000 0.981 354 Y HN 0.015 nan 8.280 nan 0.000 0.507 355 C N 1.013 120.181 119.300 -0.219 0.000 2.446 355 C HA -0.114 4.348 4.460 0.003 0.000 0.277 355 C C 2.307 177.166 174.990 -0.217 0.000 1.275 355 C CA 1.416 60.243 59.018 -0.318 0.000 1.727 355 C CB -1.164 26.521 27.740 -0.091 0.000 2.010 355 C HN 0.633 nan 8.230 nan 0.000 0.486 356 N N -0.069 118.563 118.700 -0.113 0.000 2.405 356 N HA -0.008 4.734 4.740 0.003 0.000 0.175 356 N C 0.534 176.001 175.510 -0.072 0.000 1.051 356 N CA 0.295 53.301 53.050 -0.073 0.000 0.899 356 N CB -0.379 38.092 38.487 -0.026 0.000 1.000 356 N HN 0.554 nan 8.380 nan 0.000 0.451 357 Q N -0.467 119.286 119.800 -0.078 0.000 2.475 357 Q HA -0.196 4.146 4.340 0.003 0.000 0.280 357 Q C -1.282 174.700 176.000 -0.029 0.000 1.234 357 Q CA 0.432 56.204 55.803 -0.052 0.000 0.873 357 Q CB -1.204 27.497 28.738 -0.062 0.000 1.256 357 Q HN 0.128 nan 8.270 nan 0.000 0.475 358 L N 0.313 121.521 121.223 -0.025 0.000 2.436 358 L HA 0.572 4.914 4.340 0.003 0.000 0.268 358 L C -2.103 174.752 176.870 -0.025 0.000 0.974 358 L CA -1.984 52.848 54.840 -0.014 0.000 0.826 358 L CB 1.625 43.682 42.059 -0.003 0.000 1.291 358 L HN -0.127 nan 8.230 nan 0.000 0.406 359 P HA 0.235 nan 4.420 nan 0.000 0.277 359 P C -0.766 176.492 177.300 -0.070 0.000 1.240 359 P CA -0.333 62.736 63.100 -0.050 0.000 0.798 359 P CB 1.318 33.001 31.700 -0.029 0.000 0.979 360 V N 3.438 123.248 119.914 -0.173 0.000 2.461 360 V HA 0.067 4.189 4.120 0.003 0.000 0.275 360 V C 1.149 177.196 176.094 -0.078 0.000 1.047 360 V CA -0.408 61.740 62.300 -0.252 0.000 0.955 360 V CB -0.224 31.197 31.823 -0.670 0.000 0.988 360 V HN 0.642 nan 8.190 nan 0.000 0.471 361 H N 3.370 122.435 119.070 -0.008 0.000 2.852 361 H HA 0.032 4.590 4.556 0.003 0.000 0.362 361 H C 0.943 176.286 175.328 0.024 0.000 1.122 361 H CA 0.038 56.103 56.048 0.029 0.000 1.419 361 H CB 1.112 30.919 29.762 0.076 0.000 1.401 361 H HN 0.756 nan 8.280 nan 0.000 0.609 362 E N 2.434 122.225 120.200 -0.683 0.000 2.160 362 E HA -0.149 4.203 4.350 0.003 0.000 0.195 362 E C 1.254 177.753 176.600 -0.168 0.000 0.991 362 E CA 1.262 57.429 56.400 -0.388 0.000 0.810 362 E CB 0.150 29.598 29.700 -0.420 0.000 0.742 362 E HN 0.523 nan 8.360 nan 0.000 0.466 363 R N -0.329 120.147 120.500 -0.040 0.000 2.546 363 R HA 0.152 4.494 4.340 0.003 0.000 0.320 363 R C -0.255 176.131 176.300 0.144 0.000 1.021 363 R CA -0.208 55.951 56.100 0.098 0.000 1.088 363 R CB 0.050 30.447 30.300 0.162 0.000 1.278 363 R HN 0.239 nan 8.270 nan 0.000 0.557 364 H N 2.467 121.601 119.070 0.107 0.000 2.886 364 H HA 0.092 4.650 4.556 0.003 0.000 0.329 364 H C -2.149 173.216 175.328 0.063 0.000 1.044 364 H CA -1.301 54.821 56.048 0.124 0.000 1.456 364 H CB 0.756 30.626 29.762 0.179 0.000 1.464 364 H HN -0.152 nan 8.280 nan 0.000 0.573 365 P HA -0.170 nan 4.420 nan 0.000 0.261 365 P C -0.476 176.935 177.300 0.186 0.000 1.165 365 P CA 0.914 63.984 63.100 -0.049 0.000 0.759 365 P CB 0.070 31.716 31.700 -0.091 0.000 0.772 366 Y N 1.118 121.470 120.300 0.086 0.000 3.300 366 Y HA -0.316 4.236 4.550 0.003 0.000 0.453 366 Y C 1.946 177.967 175.900 0.202 0.000 1.180 366 Y CA 2.195 60.377 58.100 0.136 0.000 2.522 366 Y CB -2.352 36.173 38.460 0.110 0.000 0.854 366 Y HN 0.531 nan 8.280 nan 0.000 0.511 367 G N -0.564 108.474 108.800 0.396 0.000 2.848 367 G HA2 0.416 4.378 3.960 0.003 0.000 0.213 367 G HA3 0.416 4.378 3.960 0.003 0.000 0.213 367 G C 0.952 175.907 174.900 0.092 0.000 1.101 367 G CA 0.338 45.642 45.100 0.340 0.000 0.778 367 G HN 0.699 nan 8.290 nan 0.000 0.536 368 G N 0.346 109.187 108.800 0.068 0.000 2.527 368 G HA2 0.316 4.278 3.960 0.003 0.000 0.248 368 G HA3 0.316 4.278 3.960 0.003 0.000 0.248 368 G C 0.425 175.300 174.900 -0.041 0.000 1.231 368 G CA -0.117 44.978 45.100 -0.009 0.000 0.838 368 G HN -0.031 nan 8.290 nan 0.000 0.570 369 D N 0.539 120.905 120.400 -0.057 0.000 2.170 369 D HA -0.147 4.495 4.640 0.003 0.000 0.193 369 D C 2.282 178.573 176.300 -0.015 0.000 1.004 369 D CA 1.197 55.178 54.000 -0.032 0.000 0.860 369 D CB 0.086 40.855 40.800 -0.051 0.000 0.931 369 D HN 0.314 nan 8.370 nan 0.000 0.448 370 L N 0.384 121.590 121.223 -0.028 0.000 2.607 370 L HA 0.072 4.414 4.340 0.003 0.000 0.228 370 L C 1.978 178.834 176.870 -0.022 0.000 1.123 370 L CA -0.073 54.778 54.840 0.018 0.000 0.890 370 L CB 0.358 42.459 42.059 0.069 0.000 1.103 370 L HN -0.042 nan 8.230 nan 0.000 0.468 371 V N -4.230 115.587 119.914 -0.162 0.000 3.129 371 V HA -0.107 4.015 4.120 0.003 0.000 0.259 371 V C 1.053 176.883 176.094 -0.441 0.000 1.116 371 V CA 0.848 62.954 62.300 -0.324 0.000 1.127 371 V CB -0.835 30.705 31.823 -0.473 0.000 0.742 371 V HN 0.314 nan 8.190 nan 0.000 0.474 372 Y N 0.695 121.067 120.300 0.121 0.000 2.751 372 Y HA 0.562 5.114 4.550 0.003 0.000 0.289 372 Y C 0.818 176.830 175.900 0.188 0.000 1.110 372 Y CA -0.742 57.467 58.100 0.181 0.000 1.251 372 Y CB -0.361 38.206 38.460 0.178 0.000 1.178 372 Y HN 0.088 nan 8.280 nan 0.000 0.540 373 T N 1.367 116.029 114.554 0.180 0.000 2.895 373 T HA 0.808 5.160 4.350 0.003 0.000 0.283 373 T C -0.332 174.430 174.700 0.103 0.000 1.014 373 T CA -0.620 61.495 62.100 0.025 0.000 1.037 373 T CB 1.423 70.229 68.868 -0.104 0.000 1.006 373 T HN 0.271 nan 8.240 nan 0.000 0.468 374 A N 1.913 124.739 122.820 0.010 0.000 2.359 374 A HA 0.736 5.058 4.320 0.003 0.000 0.303 374 A C -0.328 177.185 177.584 -0.119 0.000 1.066 374 A CA -0.625 51.475 52.037 0.104 0.000 0.730 374 A CB 0.615 19.799 19.000 0.307 0.000 1.211 374 A HN 0.841 nan 8.150 nan 0.000 0.439 375 F N 1.408 121.359 119.950 0.001 0.000 2.559 375 F HA 0.140 4.669 4.527 0.003 0.000 0.286 375 F C 1.791 177.541 175.800 -0.084 0.000 1.108 375 F CA 0.995 58.968 58.000 -0.044 0.000 1.436 375 F CB 0.498 39.464 39.000 -0.057 0.000 1.130 375 F HN 0.543 nan 8.300 nan 0.000 0.584 376 S N 0.408 116.116 115.700 0.014 0.000 2.548 376 S HA 0.279 4.751 4.470 0.003 0.000 0.277 376 S C 1.456 176.018 174.600 -0.063 0.000 1.315 376 S CA 0.014 58.132 58.200 -0.137 0.000 1.050 376 S CB 1.287 64.174 63.200 -0.522 0.000 0.918 376 S HN 0.356 nan 8.310 nan 0.000 0.497 377 G N 3.019 111.798 108.800 -0.036 0.000 2.440 377 G HA2 -0.224 3.738 3.960 0.003 0.000 0.218 377 G HA3 -0.224 3.738 3.960 0.003 0.000 0.218 377 G C 1.753 176.662 174.900 0.016 0.000 1.154 377 G CA 1.054 46.154 45.100 -0.001 0.000 0.767 377 G HN 1.073 nan 8.290 nan 0.000 0.552 378 S N -0.251 115.450 115.700 0.000 0.000 2.402 378 S HA -0.120 4.352 4.470 0.003 0.000 0.229 378 S C 1.952 176.623 174.600 0.117 0.000 1.021 378 S CA 1.488 59.724 58.200 0.059 0.000 0.974 378 S CB -0.795 62.446 63.200 0.068 0.000 0.800 378 S HN 0.668 nan 8.310 nan 0.000 0.484 379 H N 1.138 120.102 119.070 -0.177 0.000 2.363 379 H HA 0.012 4.571 4.556 0.004 0.000 0.301 379 H C 2.606 177.889 175.328 -0.074 0.000 1.074 379 H CA 1.413 57.250 56.048 -0.352 0.000 1.354 379 H CB -0.064 29.352 29.762 -0.577 0.000 1.397 379 H HN 0.522 nan 8.280 nan 0.000 0.516 380 Q N 0.439 120.318 119.800 0.132 0.000 2.084 380 Q HA -0.177 4.165 4.340 0.003 0.000 0.202 380 Q C 1.918 177.985 176.000 0.113 0.000 0.978 380 Q CA 1.691 57.590 55.803 0.159 0.000 0.844 380 Q CB -0.006 28.814 28.738 0.138 0.000 0.898 380 Q HN 0.402 nan 8.270 nan 0.000 0.426 381 D N 0.251 120.702 120.400 0.085 0.000 2.104 381 D HA -0.179 4.463 4.640 0.003 0.000 0.194 381 D C 1.780 178.118 176.300 0.062 0.000 0.994 381 D CA 1.643 55.683 54.000 0.066 0.000 0.830 381 D CB -0.109 40.725 40.800 0.056 0.000 0.959 381 D HN 0.243 nan 8.370 nan 0.000 0.452 382 A N -0.027 122.850 122.820 0.096 0.000 1.933 382 A HA -0.118 4.204 4.320 0.003 0.000 0.218 382 A C 2.468 180.075 177.584 0.039 0.000 1.175 382 A CA 1.290 53.388 52.037 0.100 0.000 0.628 382 A CB -0.823 18.322 19.000 0.240 0.000 0.814 382 A HN 0.410 nan 8.150 nan 0.000 0.444 383 I N 0.120 120.713 120.570 0.037 0.000 2.179 383 I HA -0.279 3.893 4.170 0.003 0.000 0.242 383 I C 2.121 178.174 176.117 -0.106 0.000 1.088 383 I CA 1.318 62.562 61.300 -0.094 0.000 1.357 383 I CB -0.448 37.410 38.000 -0.237 0.000 1.051 383 I HN 0.304 nan 8.210 nan 0.000 0.409 384 N N 1.060 119.743 118.700 -0.028 0.000 2.166 384 N HA -0.178 4.564 4.740 0.003 0.000 0.186 384 N C 1.754 177.248 175.510 -0.027 0.000 1.019 384 N CA 1.297 54.344 53.050 -0.004 0.000 0.856 384 N CB -0.259 38.251 38.487 0.039 0.000 0.993 384 N HN 0.385 nan 8.380 nan 0.000 0.426 385 K N 0.139 120.523 120.400 -0.028 0.000 2.057 385 K HA -0.012 4.310 4.320 0.003 0.000 0.206 385 K C 2.134 178.686 176.600 -0.079 0.000 1.050 385 K CA 1.160 57.423 56.287 -0.039 0.000 0.935 385 K CB -0.329 32.157 32.500 -0.024 0.000 0.715 385 K HN 0.187 nan 8.250 nan 0.000 0.439 386 G N 1.364 110.091 108.800 -0.121 0.000 2.421 386 G HA2 -0.227 3.735 3.960 0.003 0.000 0.216 386 G HA3 -0.227 3.735 3.960 0.003 0.000 0.216 386 G C 1.342 176.112 174.900 -0.215 0.000 1.171 386 G CA 0.510 45.491 45.100 -0.199 0.000 0.775 386 G HN 0.020 nan 8.290 nan 0.000 0.543 387 L N 1.331 122.441 121.223 -0.188 0.000 2.017 387 L HA -0.029 4.313 4.340 0.003 0.000 0.208 387 L C 2.413 179.241 176.870 -0.070 0.000 1.073 387 L CA 1.575 56.335 54.840 -0.133 0.000 0.745 387 L CB -0.964 41.059 42.059 -0.060 0.000 0.894 387 L HN 0.156 nan 8.230 nan 0.000 0.432 388 D N -0.280 120.091 120.400 -0.049 0.000 2.144 388 D HA -0.058 4.584 4.640 0.003 0.000 0.199 388 D C 1.268 177.546 176.300 -0.037 0.000 0.984 388 D CA 1.051 55.035 54.000 -0.027 0.000 0.834 388 D CB -0.108 40.682 40.800 -0.017 0.000 0.955 388 D HN 0.326 nan 8.370 nan 0.000 0.465 392 L N 1.651 122.870 121.223 -0.007 0.000 2.046 392 L HA -0.056 4.286 4.340 0.003 0.000 0.208 392 L C 2.100 178.966 176.870 -0.006 0.000 1.077 392 L CA 3.102 57.938 54.840 -0.007 0.000 0.747 392 L CB -1.127 40.925 42.059 -0.012 0.000 0.896 392 L HN 0.579 nan 8.230 nan 0.000 0.432 393 D N -0.573 119.821 120.400 -0.011 0.000 2.224 393 D HA 0.048 4.690 4.640 0.003 0.000 0.205 393 D C 2.424 178.724 176.300 0.000 0.000 0.965 393 D CA 1.451 55.446 54.000 -0.009 0.000 0.852 393 D CB -0.031 40.760 40.800 -0.015 0.000 0.947 393 D HN 0.634 nan 8.370 nan 0.000 0.494 394 A N 0.916 123.739 122.820 0.005 0.000 1.898 394 A HA -0.132 4.190 4.320 0.003 0.000 0.214 394 A C 1.797 179.388 177.584 0.012 0.000 1.183 394 A CA 1.238 53.283 52.037 0.014 0.000 0.622 394 A CB -0.257 18.757 19.000 0.023 0.000 0.824 394 A HN -0.024 nan 8.150 nan 0.000 0.444 395 D N 0.372 120.778 120.400 0.010 0.000 2.149 395 D HA -0.080 4.562 4.640 0.003 0.000 0.198 395 D C 2.186 178.489 176.300 0.006 0.000 0.990 395 D CA 1.531 55.536 54.000 0.009 0.000 0.839 395 D CB -0.373 40.432 40.800 0.008 0.000 0.948 395 D HN 0.418 nan 8.370 nan 0.000 0.460 396 A N 0.870 123.692 122.820 0.003 0.000 1.873 396 A HA 0.031 4.353 4.320 0.003 0.000 0.215 396 A C 2.138 179.723 177.584 0.002 0.000 1.186 396 A CA 1.839 53.877 52.037 0.001 0.000 0.616 396 A CB -0.507 18.492 19.000 -0.001 0.000 0.823 396 A HN 0.219 nan 8.150 nan 0.000 0.442 397 A N -1.581 121.242 122.820 0.004 0.000 2.259 397 A HA 0.385 4.706 4.320 0.003 0.000 0.208 397 A C 0.997 178.586 177.584 0.007 0.000 1.201 397 A CA 1.567 53.607 52.037 0.005 0.000 0.824 397 A CB -1.588 17.415 19.000 0.006 0.000 0.838 397 A HN 1.675 nan 8.150 nan 0.000 0.485 398 D N -1.823 118.582 120.400 0.008 0.000 2.751 398 D HA -0.153 4.489 4.640 0.003 0.000 0.233 398 D C 0.100 176.407 176.300 0.012 0.000 1.149 398 D CA 1.088 55.094 54.000 0.009 0.000 0.682 398 D CB -2.531 38.273 40.800 0.007 0.000 1.068 398 D HN 0.578 nan 8.370 nan 0.000 0.429 399 C N 0.174 119.484 119.300 0.015 0.000 2.595 399 C HA 0.735 5.197 4.460 0.003 0.000 0.338 399 C C 0.330 175.336 174.990 0.025 0.000 1.219 399 C CA -1.006 58.024 59.018 0.020 0.000 1.811 399 C CB 1.931 29.684 27.740 0.022 0.000 2.313 399 C HN 0.666 nan 8.230 nan 0.000 0.499 400 D N 1.045 121.462 120.400 0.030 0.000 2.371 400 D HA 0.033 4.675 4.640 0.003 0.000 0.256 400 D C 0.946 177.275 176.300 0.048 0.000 1.193 400 D CA 0.298 54.320 54.000 0.037 0.000 0.881 400 D CB 1.380 42.202 40.800 0.036 0.000 1.143 400 D HN 0.373 nan 8.370 nan 0.000 0.473 401 V N 4.347 124.294 119.914 0.054 0.000 2.453 401 V HA -0.242 3.880 4.120 0.003 0.000 0.252 401 V C 1.164 177.320 176.094 0.104 0.000 1.068 401 V CA 1.920 64.263 62.300 0.072 0.000 1.070 401 V CB -0.149 31.717 31.823 0.071 0.000 0.664 401 V HN 0.524 nan 8.190 nan 0.000 0.461 402 D N -0.100 120.357 120.400 0.095 0.000 2.350 402 D HA -0.013 4.629 4.640 0.003 0.000 0.216 402 D C 0.707 177.061 176.300 0.091 0.000 0.968 402 D CA 0.635 54.695 54.000 0.101 0.000 0.894 402 D CB -0.093 40.750 40.800 0.072 0.000 0.909 402 D HN 0.571 nan 8.370 nan 0.000 0.520 406 W N 6.470 127.754 121.300 -0.026 0.000 2.368 406 W HA 0.325 4.984 4.660 -0.002 0.000 0.316 406 W C -0.979 175.521 176.519 -0.032 0.000 1.375 406 W CA 0.013 57.345 57.345 -0.022 0.000 1.261 406 W CB 1.131 30.581 29.460 -0.018 0.000 1.298 406 W HN 0.591 nan 8.180 nan 0.000 0.539 407 Q N 6.013 125.499 119.800 -0.523 0.000 3.244 407 Q HA 0.235 4.577 4.340 0.003 0.000 0.249 407 Q C -1.309 174.317 176.000 -0.625 0.000 0.951 407 Q CA -0.291 55.252 55.803 -0.434 0.000 0.740 407 Q CB 1.470 30.069 28.738 -0.232 0.000 1.334 407 Q HN 0.294 nan 8.270 nan 0.000 0.448 408 V N 2.244 121.684 119.914 -0.790 0.000 2.524 408 V HA 0.359 4.481 4.120 0.003 0.000 0.297 408 V C -2.328 173.561 176.094 -0.340 0.000 1.035 408 V CA -1.859 60.048 62.300 -0.656 0.000 0.867 408 V CB 2.089 33.314 31.823 -0.997 0.000 1.004 408 V HN 0.354 nan 8.190 nan 0.000 0.426 409 P HA 0.156 nan 4.420 nan 0.000 0.266 409 P C -0.160 177.033 177.300 -0.178 0.000 1.193 409 P CA 0.577 63.466 63.100 -0.353 0.000 0.770 409 P CB 0.018 31.498 31.700 -0.366 0.000 0.836 410 Y N -1.533 118.710 120.300 -0.095 0.000 4.916 410 Y HA -0.233 4.320 4.550 0.005 0.000 0.247 410 Y C 0.249 176.190 175.900 0.067 0.000 0.962 410 Y CA 0.147 58.208 58.100 -0.065 0.000 1.933 410 Y CB -2.036 36.325 38.460 -0.166 0.000 1.451 410 Y HN 0.247 nan 8.280 nan 0.000 0.539 411 L N 1.670 123.034 121.223 0.235 0.000 2.388 411 L HA 0.303 4.645 4.340 0.003 0.000 0.267 411 L C -1.600 175.547 176.870 0.462 0.000 0.995 411 L CA -1.910 53.163 54.840 0.388 0.000 0.864 411 L CB 1.594 43.956 42.059 0.505 0.000 1.216 411 L HN -0.320 nan 8.230 nan 0.000 0.430 412 P HA -0.112 nan 4.420 nan 0.000 0.216 412 P C 0.206 177.684 177.300 0.296 0.000 1.150 412 P CA 1.411 64.677 63.100 0.276 0.000 0.837 412 P CB 0.189 32.008 31.700 0.198 0.000 0.786 413 I N -5.528 115.162 120.570 0.199 0.000 3.042 413 I HA 0.537 4.709 4.170 0.003 0.000 0.310 413 I C -0.695 174.925 176.117 -0.827 0.000 1.117 413 I CA -1.581 59.578 61.300 -0.234 0.000 1.003 413 I CB 1.887 39.920 38.000 0.055 0.000 1.228 413 I HN -0.424 nan 8.210 nan 0.000 0.443 414 D N 4.138 123.542 120.400 -1.659 0.000 2.382 414 D HA 0.202 4.844 4.640 0.003 0.000 0.259 414 D C -1.763 174.118 176.300 -0.699 0.000 1.224 414 D CA -1.934 51.071 54.000 -1.658 0.000 0.894 414 D CB 1.434 41.427 40.800 -1.345 0.000 1.127 414 D HN 0.309 nan 8.370 nan 0.000 0.487 415 P HA -0.153 nan 4.420 nan 0.000 0.219 415 P C 1.331 178.411 177.300 -0.367 0.000 1.146 415 P CA 1.621 64.315 63.100 -0.676 0.000 0.808 415 P CB 0.116 31.444 31.700 -0.620 0.000 0.779 416 R N 0.337 120.687 120.500 -0.249 0.000 2.148 416 R HA -0.138 4.204 4.340 0.003 0.000 0.227 416 R C 1.717 177.943 176.300 -0.123 0.000 1.103 416 R CA 1.839 57.859 56.100 -0.133 0.000 0.983 416 R CB -2.186 28.075 30.300 -0.066 0.000 0.874 416 R HN 0.211 nan 8.270 nan 0.000 0.451 417 D N 0.114 120.421 120.400 -0.155 0.000 2.310 417 D HA -0.086 4.556 4.640 0.003 0.000 0.212 417 D C 1.534 177.741 176.300 -0.154 0.000 0.965 417 D CA 1.812 55.750 54.000 -0.105 0.000 0.879 417 D CB 0.409 41.216 40.800 0.011 0.000 0.921 417 D HN 0.476 nan 8.370 nan 0.000 0.510 418 V N -4.464 115.368 119.914 -0.138 0.000 3.276 418 V HA 0.569 4.690 4.120 0.003 0.000 0.319 418 V C 1.244 177.317 176.094 -0.035 0.000 1.427 418 V CA 0.256 62.508 62.300 -0.081 0.000 1.102 418 V CB 0.231 32.047 31.823 -0.011 0.000 1.020 418 V HN 0.117 nan 8.190 nan 0.000 0.456 419 G N 0.872 109.639 108.800 -0.055 0.000 2.143 419 G HA2 -0.212 3.750 3.960 0.003 0.000 0.249 419 G HA3 -0.212 3.750 3.960 0.003 0.000 0.249 419 G C 0.329 175.225 174.900 -0.005 0.000 0.981 419 G CA 0.425 45.514 45.100 -0.020 0.000 0.665 419 G HN 0.594 nan 8.290 nan 0.000 0.528 420 R N -0.467 120.003 120.500 -0.050 0.000 2.810 420 R HA 0.792 5.134 4.340 0.003 0.000 0.245 420 R C -0.367 175.899 176.300 -0.057 0.000 1.168 420 R CA -0.150 55.931 56.100 -0.030 0.000 1.096 420 R CB 0.789 31.069 30.300 -0.032 0.000 1.259 420 R HN 0.161 nan 8.270 nan 0.000 0.518 421 T N 0.763 115.322 114.554 0.008 0.000 2.886 421 T HA 0.179 4.531 4.350 0.003 0.000 0.292 421 T C -0.938 173.833 174.700 0.118 0.000 1.012 421 T CA -0.595 61.538 62.100 0.056 0.000 0.982 421 T CB 1.044 69.956 68.868 0.073 0.000 1.018 421 T HN 0.402 nan 8.240 nan 0.000 0.451 422 Y N 2.683 123.017 120.300 0.057 0.000 2.717 422 Y HA 0.240 4.793 4.550 0.004 0.000 0.330 422 Y C 0.375 176.330 175.900 0.091 0.000 1.217 422 Y CA -0.442 57.731 58.100 0.121 0.000 1.506 422 Y CB 0.389 38.942 38.460 0.154 0.000 1.268 422 Y HN 0.683 nan 8.280 nan 0.000 0.561 423 E N 5.255 125.136 120.200 -0.533 0.000 2.186 423 E HA 0.599 4.951 4.350 0.003 0.000 0.255 423 E C -1.427 174.689 176.600 -0.806 0.000 0.881 423 E CA -0.889 55.159 56.400 -0.587 0.000 0.752 423 E CB 0.615 30.161 29.700 -0.256 0.000 1.176 423 E HN 0.839 nan 8.360 nan 0.000 0.421 424 A N 4.695 127.008 122.820 -0.845 0.000 2.415 424 A HA 0.316 4.638 4.320 0.003 0.000 0.309 424 A C -0.219 177.165 177.584 -0.334 0.000 1.356 424 A CA -0.474 51.287 52.037 -0.459 0.000 0.998 424 A CB 0.205 19.068 19.000 -0.228 0.000 1.145 424 A HN 0.429 nan 8.150 nan 0.000 0.545 425 V N 4.746 124.412 119.914 -0.413 0.000 2.530 425 V HA 0.198 4.320 4.120 0.003 0.000 0.282 425 V C 0.159 176.138 176.094 -0.191 0.000 1.048 425 V CA -0.263 61.813 62.300 -0.372 0.000 0.997 425 V CB 0.887 32.289 31.823 -0.702 0.000 0.987 425 V HN 0.636 nan 8.190 nan 0.000 0.477 426 I N 4.747 125.252 120.570 -0.109 0.000 2.412 426 I HA 0.491 4.663 4.170 0.003 0.000 0.296 426 I C 0.275 176.399 176.117 0.012 0.000 0.987 426 I CA -0.883 60.389 61.300 -0.047 0.000 1.180 426 I CB 1.725 39.672 38.000 -0.088 0.000 1.340 426 I HN 0.537 nan 8.210 nan 0.000 0.455 427 R N 3.486 124.015 120.500 0.048 0.000 2.357 427 R HA 0.497 4.839 4.340 0.003 0.000 0.296 427 R C -0.870 175.457 176.300 0.045 0.000 1.052 427 R CA -0.363 55.775 56.100 0.063 0.000 0.988 427 R CB 0.959 31.297 30.300 0.064 0.000 1.025 427 R HN 0.358 nan 8.270 nan 0.000 0.469 428 V N 2.714 122.662 119.914 0.055 0.000 2.370 428 V HA 0.392 4.514 4.120 0.003 0.000 0.283 428 V C 1.041 177.168 176.094 0.055 0.000 1.023 428 V CA -0.782 61.556 62.300 0.063 0.000 0.857 428 V CB 0.735 32.610 31.823 0.087 0.000 0.985 428 V HN 0.953 nan 8.190 nan 0.000 0.443 435 G N -0.564 108.202 108.800 -0.057 0.000 3.166 435 G HA2 1.056 5.018 3.960 0.003 0.000 0.267 435 G HA3 1.056 5.018 3.960 0.003 0.000 0.267 435 G C 0.493 175.440 174.900 0.078 0.000 1.256 435 G CA -0.282 44.853 45.100 0.058 0.000 0.859 435 G HN 2.125 nan 8.290 nan 0.000 0.590 436 G N -2.273 106.583 108.800 0.094 0.000 2.895 436 G HA2 0.159 4.121 3.960 0.003 0.000 0.686 436 G HA3 0.159 4.121 3.960 0.003 0.000 0.686 436 G C 0.666 175.640 174.900 0.124 0.000 1.108 436 G CA -0.010 45.146 45.100 0.093 0.000 0.761 436 G HN 1.347 nan 8.290 nan 0.000 0.611 437 V N 2.588 122.559 119.914 0.095 0.000 2.231 437 V HA -0.201 3.921 4.120 0.003 0.000 0.248 437 V C 3.478 179.623 176.094 0.084 0.000 1.054 437 V CA 3.692 66.059 62.300 0.112 0.000 1.015 437 V CB -1.444 30.453 31.823 0.123 0.000 0.638 437 V HN 1.961 nan 8.190 nan 0.000 0.444 438 A N -0.829 122.022 122.820 0.051 0.000 1.869 438 A HA -0.354 3.968 4.320 0.003 0.000 0.218 438 A C 2.175 179.773 177.584 0.024 0.000 1.203 438 A CA 2.653 54.692 52.037 0.003 0.000 0.638 438 A CB -1.076 17.917 19.000 -0.011 0.000 0.831 438 A HN 0.682 nan 8.150 nan 0.000 0.450 439 Y N 0.136 120.409 120.300 -0.045 0.000 2.128 439 Y HA -0.077 4.475 4.550 0.003 0.000 0.284 439 Y C 1.115 176.990 175.900 -0.041 0.000 1.154 439 Y CA 1.111 59.183 58.100 -0.047 0.000 1.149 439 Y CB -0.303 38.136 38.460 -0.035 0.000 0.976 439 Y HN 0.292 nan 8.280 nan 0.000 0.505 443 T N 1.250 115.589 114.554 -0.359 0.000 2.737 443 T HA -0.048 4.304 4.350 0.003 0.000 0.265 443 T C 0.856 175.359 174.700 -0.327 0.000 1.038 443 T CA 1.850 63.727 62.100 -0.372 0.000 1.144 443 T CB -0.328 68.229 68.868 -0.517 0.000 0.866 443 T HN 0.213 nan 8.240 nan 0.000 0.434 444 D N -0.007 120.174 120.400 -0.365 0.000 2.249 444 D HA 0.001 4.643 4.640 0.003 0.000 0.205 444 D C 1.544 177.295 176.300 -0.914 0.000 0.962 444 D CA 0.874 54.523 54.000 -0.585 0.000 0.860 444 D CB 0.025 40.450 40.800 -0.626 0.000 0.955 444 D HN 0.519 nan 8.370 nan 0.000 0.505 445 H N -2.041 116.815 119.070 -0.357 0.000 3.233 445 H HA 0.315 4.873 4.556 0.003 0.000 0.263 445 H C 1.124 176.313 175.328 -0.231 0.000 1.168 445 H CA 0.536 56.324 56.048 -0.433 0.000 1.159 445 H CB 1.203 30.532 29.762 -0.723 0.000 1.593 445 H HN 0.088 nan 8.280 nan 0.000 0.580 446 G N 1.922 110.659 108.800 -0.104 0.000 2.179 446 G HA2 -0.282 3.680 3.960 0.003 0.000 0.257 446 G HA3 -0.282 3.680 3.960 0.003 0.000 0.257 446 G C 0.031 174.978 174.900 0.079 0.000 1.010 446 G CA 0.297 45.372 45.100 -0.042 0.000 0.736 446 G HN 0.264 nan 8.290 nan 0.000 0.513 447 L N 0.824 122.091 121.223 0.073 0.000 2.296 447 L HA 0.529 4.871 4.340 0.003 0.000 0.286 447 L C 0.271 177.164 176.870 0.038 0.000 1.023 447 L CA -0.661 54.315 54.840 0.226 0.000 0.812 447 L CB 2.045 44.217 42.059 0.187 0.000 1.223 447 L HN 0.055 nan 8.230 nan 0.000 0.421 448 S N 4.872 120.576 115.700 0.007 0.000 2.642 448 S HA 0.400 4.872 4.470 0.003 0.000 0.309 448 S C 0.109 174.513 174.600 -0.327 0.000 1.125 448 S CA -0.591 57.478 58.200 -0.219 0.000 1.055 448 S CB -0.122 62.836 63.200 -0.403 0.000 1.157 448 S HN 0.354 nan 8.310 nan 0.000 0.513 449 L N 4.443 125.433 121.223 -0.388 0.000 2.462 449 L HA 0.228 4.570 4.340 0.003 0.000 0.272 449 L C -2.106 174.362 176.870 -0.670 0.000 1.166 449 L CA -1.804 52.658 54.840 -0.630 0.000 0.880 449 L CB -0.315 41.496 42.059 -0.414 0.000 1.142 449 L HN 0.222 nan 8.230 nan 0.000 0.473 450 P HA 0.028 nan 4.420 nan 0.000 0.267 450 P C 0.723 177.645 177.300 -0.630 0.000 1.200 450 P CA 0.061 62.649 63.100 -0.853 0.000 0.772 450 P CB 0.551 31.575 31.700 -1.128 0.000 0.855 451 R N 3.467 123.718 120.500 -0.415 0.000 2.091 451 R HA -0.191 4.151 4.340 0.003 0.000 0.238 451 R C 2.068 178.234 176.300 -0.223 0.000 1.136 451 R CA 1.941 57.888 56.100 -0.255 0.000 0.959 451 R CB -1.671 28.542 30.300 -0.146 0.000 0.856 451 R HN 0.511 nan 8.270 nan 0.000 0.437 452 R N -0.194 120.195 120.500 -0.185 0.000 2.189 452 R HA 0.134 4.476 4.340 0.003 0.000 0.223 452 R C 2.402 178.553 176.300 -0.249 0.000 1.092 452 R CA 1.135 57.223 56.100 -0.020 0.000 0.989 452 R CB -0.435 30.081 30.300 0.360 0.000 0.876 452 R HN 0.445 nan 8.270 nan 0.000 0.457 453 L N 0.975 121.679 121.223 -0.865 0.000 2.072 453 L HA -0.204 4.138 4.340 0.003 0.000 0.205 453 L C 2.120 178.812 176.870 -0.296 0.000 1.079 453 L CA 1.434 55.705 54.840 -0.948 0.000 0.752 453 L CB -0.098 41.220 42.059 -1.236 0.000 0.906 453 L HN 0.217 nan 8.230 nan 0.000 0.436 454 Q N -0.130 119.518 119.800 -0.253 0.000 2.112 454 Q HA -0.259 4.083 4.340 0.003 0.000 0.206 454 Q C 2.125 178.128 176.000 0.004 0.000 0.987 454 Q CA 2.024 57.793 55.803 -0.057 0.000 0.858 454 Q CB -0.206 28.470 28.738 -0.103 0.000 0.905 454 Q HN 0.576 nan 8.270 nan 0.000 0.420 455 I N 0.408 120.952 120.570 -0.044 0.000 2.202 455 I HA -0.243 3.929 4.170 0.003 0.000 0.242 455 I C 2.532 178.666 176.117 0.028 0.000 1.091 455 I CA 1.101 62.381 61.300 -0.034 0.000 1.368 455 I CB -0.292 37.688 38.000 -0.032 0.000 1.058 455 I HN 0.271 nan 8.210 nan 0.000 0.410 456 E N 1.083 121.347 120.200 0.108 0.000 2.058 456 E HA -0.288 4.064 4.350 0.003 0.000 0.194 456 E C 2.230 178.984 176.600 0.257 0.000 0.997 456 E CA 1.579 58.103 56.400 0.207 0.000 0.801 456 E CB -0.153 29.750 29.700 0.337 0.000 0.746 456 E HN 0.396 nan 8.360 nan 0.000 0.450 457 F N 1.354 121.392 119.950 0.147 0.000 2.146 457 F HA -0.086 4.443 4.527 0.003 0.000 0.298 457 F C 2.330 178.204 175.800 0.124 0.000 1.096 457 F CA 1.543 59.677 58.000 0.223 0.000 1.275 457 F CB -0.606 38.554 39.000 0.268 0.000 1.008 457 F HN -0.058 nan 8.300 nan 0.000 0.480 458 S N -0.077 115.536 115.700 -0.144 0.000 2.400 458 S HA -0.265 4.206 4.470 0.003 0.000 0.232 458 S C 1.863 176.345 174.600 -0.196 0.000 1.025 458 S CA 1.419 59.457 58.200 -0.270 0.000 0.993 458 S CB -0.402 62.697 63.200 -0.168 0.000 0.808 458 S HN 0.477 nan 8.310 nan 0.000 0.478 459 Q N 1.023 120.769 119.800 -0.090 0.000 2.119 459 Q HA -0.002 4.340 4.340 0.003 0.000 0.201 459 Q C 1.976 177.959 176.000 -0.027 0.000 0.972 459 Q CA 1.131 56.912 55.803 -0.036 0.000 0.847 459 Q CB -0.412 28.341 28.738 0.025 0.000 0.903 459 Q HN 0.343 nan 8.270 nan 0.000 0.433 460 V N 0.410 120.312 119.914 -0.019 0.000 2.255 460 V HA -0.288 3.834 4.120 0.003 0.000 0.247 460 V C 2.175 178.218 176.094 -0.084 0.000 1.051 460 V CA 1.964 64.255 62.300 -0.016 0.000 1.018 460 V CB -0.553 31.316 31.823 0.078 0.000 0.641 460 V HN 0.421 nan 8.190 nan 0.000 0.445 461 I N -0.208 120.228 120.570 -0.223 0.000 2.264 461 I HA -0.291 3.881 4.170 0.003 0.000 0.248 461 I C 2.703 178.754 176.117 -0.111 0.000 1.111 461 I CA 1.608 62.783 61.300 -0.209 0.000 1.382 461 I CB -0.475 37.309 38.000 -0.361 0.000 1.060 461 I HN 0.406 nan 8.210 nan 0.000 0.418 462 Q N 2.175 121.918 119.800 -0.096 0.000 2.084 462 Q HA -0.159 4.183 4.340 0.003 0.000 0.202 462 Q C 1.443 177.433 176.000 -0.016 0.000 0.978 462 Q CA 1.772 57.548 55.803 -0.045 0.000 0.844 462 Q CB -0.082 28.640 28.738 -0.026 0.000 0.898 462 Q HN 0.508 nan 8.270 nan 0.000 0.426 476 S N 5.881 121.622 115.700 0.068 0.000 2.617 476 S HA 0.572 5.044 4.470 0.003 0.000 0.269 476 S C -1.702 172.967 174.600 0.116 0.000 1.292 476 S CA -0.654 57.594 58.200 0.080 0.000 1.010 476 S CB 1.543 64.787 63.200 0.073 0.000 0.944 476 S HN 0.582 nan 8.310 nan 0.000 0.536 477 P HA -0.140 nan 4.420 nan 0.000 0.217 477 P C 1.891 179.330 177.300 0.231 0.000 1.158 477 P CA 2.752 65.950 63.100 0.163 0.000 0.887 477 P CB -0.362 31.405 31.700 0.111 0.000 0.792 478 K N 0.399 120.914 120.400 0.192 0.000 2.026 478 K HA -0.157 4.165 4.320 0.003 0.000 0.208 478 K C 1.288 178.027 176.600 0.232 0.000 1.048 478 K CA 1.436 57.860 56.287 0.228 0.000 0.929 478 K CB -1.519 31.075 32.500 0.157 0.000 0.713 478 K HN 0.358 nan 8.250 nan 0.000 0.439 482 D N 1.895 122.330 120.400 0.059 0.000 2.117 482 D HA -0.058 4.584 4.640 0.003 0.000 0.197 482 D C 2.210 178.473 176.300 -0.061 0.000 0.987 482 D CA 2.260 56.230 54.000 -0.051 0.000 0.829 482 D CB -0.614 40.230 40.800 0.073 0.000 0.961 482 D HN 0.187 nan 8.370 nan 0.000 0.460 483 A N 0.187 123.059 122.820 0.086 0.000 1.898 483 A HA -0.155 4.167 4.320 0.003 0.000 0.216 483 A C 2.118 179.814 177.584 0.187 0.000 1.181 483 A CA 0.880 53.015 52.037 0.163 0.000 0.620 483 A CB -0.974 18.191 19.000 0.275 0.000 0.819 483 A HN 0.237 nan 8.150 nan 0.000 0.442 484 F N 0.930 120.868 119.950 -0.020 0.000 2.102 484 F HA -0.107 4.422 4.527 0.003 0.000 0.298 484 F C 2.546 178.110 175.800 -0.393 0.000 1.105 484 F CA 1.344 59.129 58.000 -0.357 0.000 1.239 484 F CB -0.329 38.247 39.000 -0.706 0.000 0.991 484 F HN 0.249 nan 8.300 nan 0.000 0.474 485 A N 0.092 122.588 122.820 -0.541 0.000 1.902 485 A HA -0.126 4.196 4.320 0.003 0.000 0.217 485 A C 2.061 179.459 177.584 -0.309 0.000 1.181 485 A CA 2.055 53.775 52.037 -0.527 0.000 0.623 485 A CB -1.526 17.114 19.000 -0.599 0.000 0.818 485 A HN 0.477 nan 8.150 nan 0.000 0.443 486 E N -0.390 119.673 120.200 -0.230 0.000 2.285 486 E HA -0.079 4.273 4.350 0.003 0.000 0.194 486 E C 1.759 178.237 176.600 -0.203 0.000 0.997 486 E CA 1.483 57.785 56.400 -0.163 0.000 0.845 486 E CB -0.390 29.249 29.700 -0.101 0.000 0.782 486 E HN 0.668 nan 8.360 nan 0.000 0.491 487 E N -1.368 118.662 120.200 -0.284 0.000 2.075 487 E HA 0.090 4.442 4.350 0.003 0.000 0.190 487 E C 1.358 177.592 176.600 -0.609 0.000 0.969 487 E CA 1.030 57.152 56.400 -0.463 0.000 0.815 487 E CB -0.122 29.238 29.700 -0.567 0.000 0.776 487 E HN 0.723 nan 8.360 nan 0.000 0.457 488 Y N -1.269 118.778 120.300 -0.421 0.000 2.558 488 Y HA 0.263 4.815 4.550 0.003 0.000 0.273 488 Y C 1.746 177.459 175.900 -0.313 0.000 1.100 488 Y CA 0.150 57.995 58.100 -0.426 0.000 1.276 488 Y CB 0.542 38.527 38.460 -0.792 0.000 1.196 488 Y HN -0.076 nan 8.280 nan 0.000 0.527 489 L N -1.576 119.539 121.223 -0.180 0.000 2.388 489 L HA 0.249 4.591 4.340 0.003 0.000 0.209 489 L C 2.326 179.142 176.870 -0.089 0.000 1.061 489 L CA 0.783 55.554 54.840 -0.116 0.000 0.834 489 L CB -0.330 41.660 42.059 -0.115 0.000 1.029 489 L HN 0.094 nan 8.230 nan 0.000 0.473 490 A N -0.100 122.653 122.820 -0.112 0.000 1.911 490 A HA 0.169 4.491 4.320 0.003 0.000 0.212 490 A C -1.255 176.289 177.584 -0.067 0.000 1.189 490 A CA 0.252 52.241 52.037 -0.079 0.000 0.639 490 A CB -1.510 17.440 19.000 -0.084 0.000 0.839 490 A HN 0.185 nan 8.150 nan 0.000 0.449 491 P HA 0.195 nan 4.420 nan 0.000 0.266 491 P C 0.195 177.462 177.300 -0.054 0.000 1.193 491 P CA 0.436 63.494 63.100 -0.070 0.000 0.770 491 P CB 1.144 32.789 31.700 -0.091 0.000 0.836 492 V N 0.593 120.482 119.914 -0.041 0.000 3.392 492 V HA 0.267 4.389 4.120 0.003 0.000 0.294 492 V C 0.597 176.679 176.094 -0.021 0.000 1.561 492 V CA 0.821 63.105 62.300 -0.027 0.000 1.056 492 V CB 0.386 32.199 31.823 -0.017 0.000 0.882 492 V HN 0.639 nan 8.190 nan 0.000 0.440 493 R N 0.985 121.469 120.500 -0.026 0.000 2.750 493 R HA 0.699 5.041 4.340 0.003 0.000 0.281 493 R C -2.412 173.871 176.300 -0.029 0.000 0.972 493 R CA -0.977 55.115 56.100 -0.014 0.000 0.912 493 R CB 0.191 30.491 30.300 -0.000 0.000 1.187 493 R HN 0.086 nan 8.270 nan 0.000 0.464 494 P HA 0.083 nan 4.420 nan 0.000 0.241 494 P C -0.185 177.123 177.300 0.013 0.000 1.191 494 P CA 0.335 63.456 63.100 0.036 0.000 0.771 494 P CB 0.440 32.218 31.700 0.130 0.000 0.929 495 L N 0.320 121.489 121.223 -0.091 0.000 2.356 495 L HA 0.464 4.806 4.340 0.003 0.000 0.277 495 L C -0.599 176.242 176.870 -0.048 0.000 0.996 495 L CA -0.697 54.077 54.840 -0.111 0.000 0.822 495 L CB 2.550 44.392 42.059 -0.361 0.000 1.256 495 L HN -0.139 nan 8.230 nan 0.000 0.413 496 E N 4.720 124.923 120.200 0.005 0.000 2.256 496 E HA 0.393 4.745 4.350 0.003 0.000 0.267 496 E C -1.282 175.347 176.600 0.048 0.000 0.892 496 E CA -0.846 55.563 56.400 0.016 0.000 0.775 496 E CB 2.190 31.899 29.700 0.015 0.000 1.207 496 E HN 0.513 nan 8.360 nan 0.000 0.420 497 R N 5.553 126.079 120.500 0.042 0.000 2.343 497 R HA 0.246 4.588 4.340 0.003 0.000 0.320 497 R C 0.400 176.707 176.300 0.012 0.000 0.956 497 R CA -0.508 55.622 56.100 0.050 0.000 0.836 497 R CB 0.581 30.894 30.300 0.021 0.000 1.151 497 R HN 0.590 nan 8.270 nan 0.000 0.450 498 I N 3.647 124.230 120.570 0.022 0.000 2.368 498 I HA 0.054 4.226 4.170 0.003 0.000 0.238 498 I C 1.100 177.214 176.117 -0.004 0.000 1.076 498 I CA 1.102 62.408 61.300 0.010 0.000 1.397 498 I CB -0.870 37.142 38.000 0.021 0.000 1.141 498 I HN 0.663 nan 8.210 nan 0.000 0.430 499 R N 1.415 121.915 120.500 0.001 0.000 2.781 499 R HA 0.605 4.947 4.340 0.003 0.000 0.268 499 R C -1.425 174.873 176.300 -0.004 0.000 1.047 499 R CA -0.769 55.325 56.100 -0.010 0.000 0.925 499 R CB 1.679 31.983 30.300 0.007 0.000 1.246 499 R HN 0.175 nan 8.270 nan 0.000 0.456 500 Q N 1.147 120.942 119.800 -0.007 0.000 2.527 500 Q HA 0.226 4.568 4.340 0.003 0.000 0.280 500 Q C -1.838 174.193 176.000 0.052 0.000 0.977 500 Q CA -0.843 54.970 55.803 0.016 0.000 0.837 500 Q CB 1.628 30.334 28.738 -0.054 0.000 1.454 500 Q HN 0.818 nan 8.270 nan 0.000 0.387 501 H N 0.635 119.697 119.070 -0.012 0.000 2.581 501 H HA 0.600 5.158 4.556 0.003 0.000 0.308 501 H C -1.088 174.234 175.328 -0.009 0.000 1.040 501 H CA -0.315 55.726 56.048 -0.011 0.000 1.231 501 H CB 1.165 30.926 29.762 -0.001 0.000 1.396 501 H HN 0.400 nan 8.280 nan 0.000 0.467 502 V N 5.275 124.975 119.914 -0.356 0.000 2.364 502 V HA 0.093 4.215 4.120 0.003 0.000 0.272 502 V C -0.015 175.907 176.094 -0.286 0.000 1.036 502 V CA -0.503 61.656 62.300 -0.235 0.000 0.880 502 V CB 1.049 32.764 31.823 -0.179 0.000 0.991 502 V HN 0.803 nan 8.190 nan 0.000 0.460 503 D N 4.847 125.177 120.400 -0.116 0.000 2.477 503 D HA 0.512 5.154 4.640 0.003 0.000 0.239 503 D C 0.037 176.319 176.300 -0.030 0.000 1.102 503 D CA -0.196 53.776 54.000 -0.047 0.000 0.901 503 D CB 1.178 42.011 40.800 0.055 0.000 1.026 503 D HN 0.662 nan 8.370 nan 0.000 0.515 504 A N 2.650 125.442 122.820 -0.046 0.000 2.289 504 A HA 0.695 5.017 4.320 0.003 0.000 0.298 504 A C 0.516 178.090 177.584 -0.017 0.000 1.208 504 A CA -0.469 51.548 52.037 -0.032 0.000 0.845 504 A CB 0.704 19.677 19.000 -0.044 0.000 1.125 504 A HN 0.671 nan 8.150 nan 0.000 0.517 505 A N 2.345 125.160 122.820 -0.008 0.000 2.498 505 A HA 0.328 4.650 4.320 0.003 0.000 0.239 505 A C 0.596 178.177 177.584 -0.005 0.000 1.068 505 A CA 0.005 52.040 52.037 -0.003 0.000 0.766 505 A CB 0.005 19.006 19.000 0.001 0.000 1.003 505 A HN 0.809 nan 8.150 nan 0.000 0.497 506 D N 0.365 120.763 120.400 -0.002 0.000 2.219 506 D HA -0.032 4.610 4.640 0.003 0.000 0.205 506 D C -0.032 176.266 176.300 -0.003 0.000 0.970 506 D CA 1.317 55.315 54.000 -0.003 0.000 0.851 506 D CB 0.090 40.890 40.800 -0.000 0.000 0.943 506 D HN 0.576 nan 8.370 nan 0.000 0.488 507 D N 1.352 121.752 120.400 -0.001 0.000 2.177 507 D HA 0.076 4.718 4.640 0.003 0.000 0.247 507 D C -0.386 175.913 176.300 -0.001 0.000 1.063 507 D CA -0.479 53.520 54.000 -0.000 0.000 0.867 507 D CB 1.307 42.108 40.800 0.001 0.000 1.168 507 D HN -0.060 nan 8.370 nan 0.000 0.445 508 D N 0.360 120.759 120.400 -0.001 0.000 2.525 508 D HA 0.193 4.835 4.640 0.003 0.000 0.235 508 D C 1.498 177.798 176.300 -0.000 0.000 1.137 508 D CA 0.736 54.735 54.000 -0.001 0.000 0.868 508 D CB 0.674 41.474 40.800 0.000 0.000 1.180 508 D HN 0.722 nan 8.370 nan 0.000 0.465 509 G N 1.192 109.991 108.800 -0.001 0.000 2.159 509 G HA2 -0.162 3.800 3.960 0.003 0.000 0.256 509 G HA3 -0.162 3.800 3.960 0.003 0.000 0.256 509 G C 0.706 175.607 174.900 0.001 0.000 0.977 509 G CA 0.146 45.246 45.100 0.000 0.000 0.652 509 G HN 0.835 nan 8.290 nan 0.000 0.531 510 G N -0.869 107.931 108.800 0.000 0.000 2.562 510 G HA2 0.582 4.544 3.960 0.003 0.000 0.275 510 G HA3 0.582 4.544 3.960 0.003 0.000 0.275 510 G C 0.136 175.038 174.900 0.003 0.000 1.196 510 G CA 0.507 45.608 45.100 0.002 0.000 0.908 510 G HN 0.492 nan 8.290 nan 0.000 0.524 511 T N 0.451 115.009 114.554 0.007 0.000 2.889 511 T HA 0.489 4.841 4.350 0.003 0.000 0.291 511 T C 0.189 174.893 174.700 0.007 0.000 0.995 511 T CA 0.194 62.301 62.100 0.012 0.000 1.092 511 T CB 1.192 70.071 68.868 0.019 0.000 0.954 511 T HN 0.380 nan 8.240 nan 0.000 0.506 512 T N 2.767 117.325 114.554 0.006 0.000 2.797 512 T HA 0.545 4.897 4.350 0.003 0.000 0.279 512 T C -0.180 174.528 174.700 0.014 0.000 0.991 512 T CA -0.530 61.569 62.100 -0.002 0.000 0.979 512 T CB 1.233 70.089 68.868 -0.021 0.000 0.943 512 T HN 0.471 nan 8.240 nan 0.000 0.444 513 S N 2.206 117.917 115.700 0.019 0.000 2.568 513 S HA 0.777 5.249 4.470 0.003 0.000 0.302 513 S C -0.926 173.698 174.600 0.040 0.000 1.082 513 S CA -0.715 57.509 58.200 0.040 0.000 1.009 513 S CB 1.267 64.496 63.200 0.047 0.000 1.069 513 S HN 0.686 nan 8.310 nan 0.000 0.500 514 I N 1.423 122.031 120.570 0.065 0.000 2.619 514 I HA 0.477 4.649 4.170 0.003 0.000 0.292 514 I C -1.208 174.972 176.117 0.105 0.000 1.100 514 I CA -0.097 61.249 61.300 0.076 0.000 1.043 514 I CB 2.189 40.242 38.000 0.089 0.000 1.239 514 I HN 0.506 nan 8.210 nan 0.000 0.420 515 T N 6.147 120.772 114.554 0.118 0.000 2.829 515 T HA 0.807 5.159 4.350 0.003 0.000 0.280 515 T C -0.779 173.994 174.700 0.120 0.000 0.999 515 T CA -0.491 61.678 62.100 0.115 0.000 0.983 515 T CB 1.540 70.467 68.868 0.099 0.000 0.968 515 T HN 0.661 nan 8.240 nan 0.000 0.446 516 A N 2.295 125.193 122.820 0.130 0.000 2.414 516 A HA 0.750 5.072 4.320 0.003 0.000 0.306 516 A C -0.111 177.540 177.584 0.112 0.000 1.054 516 A CA -0.836 51.280 52.037 0.131 0.000 0.724 516 A CB 1.219 20.357 19.000 0.231 0.000 1.267 516 A HN 0.662 nan 8.150 nan 0.000 0.418 517 T N 2.007 116.612 114.554 0.085 0.000 2.743 517 T HA 0.535 4.887 4.350 0.003 0.000 0.293 517 T C 0.078 174.829 174.700 0.085 0.000 0.945 517 T CA -0.120 62.023 62.100 0.072 0.000 1.030 517 T CB 0.397 69.293 68.868 0.047 0.000 0.912 517 T HN 1.491 nan 8.240 nan 0.000 0.483 518 V N -1.146 118.823 119.914 0.093 0.000 2.925 518 V HA 0.999 5.121 4.120 0.003 0.000 0.311 518 V C -0.453 175.689 176.094 0.080 0.000 1.104 518 V CA -1.463 60.897 62.300 0.100 0.000 0.954 518 V CB 1.306 33.215 31.823 0.144 0.000 1.022 518 V HN 0.871 nan 8.190 nan 0.000 0.427 519 K N 2.966 123.407 120.400 0.069 0.000 2.234 519 K HA 0.823 5.145 4.320 0.003 0.000 0.277 519 K C -0.831 175.818 176.600 0.082 0.000 1.038 519 K CA -0.399 55.925 56.287 0.062 0.000 0.888 519 K CB 1.103 33.628 32.500 0.042 0.000 1.091 519 K HN 0.824 nan 8.250 nan 0.000 0.467 520 I N 2.273 122.901 120.570 0.097 0.000 2.330 520 I HA 0.272 4.444 4.170 0.003 0.000 0.286 520 I C 1.159 177.334 176.117 0.095 0.000 1.025 520 I CA 0.358 61.742 61.300 0.140 0.000 1.197 520 I CB 1.008 39.107 38.000 0.165 0.000 1.358 520 I HN 0.993 nan 8.210 nan 0.000 0.467 521 N N 4.377 123.131 118.700 0.090 0.000 2.714 521 N HA -0.129 4.613 4.740 0.003 0.000 0.252 521 N C 1.270 176.804 175.510 0.039 0.000 1.014 521 N CA 1.319 54.404 53.050 0.058 0.000 0.735 521 N CB -1.890 36.631 38.487 0.056 0.000 0.924 521 N HN 1.440 nan 8.380 nan 0.000 0.540 522 G N -3.698 105.124 108.800 0.036 0.000 2.299 522 G HA2 0.245 4.207 3.960 0.003 0.000 0.237 522 G HA3 0.245 4.207 3.960 0.003 0.000 0.237 522 G C 1.008 175.925 174.900 0.029 0.000 1.027 522 G CA 1.375 46.492 45.100 0.027 0.000 0.619 522 G HN 2.306 nan 8.290 nan 0.000 0.513 523 V N 1.060 120.994 119.914 0.034 0.000 2.385 523 V HA 0.740 4.862 4.120 0.003 0.000 0.269 523 V C 0.543 176.658 176.094 0.036 0.000 1.043 523 V CA 0.121 62.438 62.300 0.030 0.000 0.906 523 V CB 0.804 32.642 31.823 0.025 0.000 0.995 523 V HN 0.427 nan 8.190 nan 0.000 0.467 524 E N 4.144 124.363 120.200 0.031 0.000 2.442 524 E HA 0.555 4.907 4.350 0.003 0.000 0.262 524 E C 0.352 176.973 176.600 0.035 0.000 1.004 524 E CA 1.143 57.564 56.400 0.034 0.000 0.928 524 E CB 0.562 30.279 29.700 0.027 0.000 0.937 524 E HN 1.047 nan 8.360 nan 0.000 0.446 525 T N 1.188 115.768 114.554 0.044 0.000 2.840 525 T HA 0.566 4.918 4.350 0.003 0.000 0.317 525 T C -0.758 173.972 174.700 0.050 0.000 1.401 525 T CA -0.279 61.846 62.100 0.040 0.000 1.028 525 T CB 1.156 70.047 68.868 0.038 0.000 1.317 525 T HN 0.416 nan 8.240 nan 0.000 0.495 526 E N 1.108 121.333 120.200 0.043 0.000 2.183 526 E HA 0.790 5.142 4.350 0.003 0.000 0.271 526 E C -0.279 176.352 176.600 0.052 0.000 0.919 526 E CA -0.691 55.739 56.400 0.050 0.000 0.781 526 E CB 0.776 30.499 29.700 0.038 0.000 1.140 526 E HN 1.366 nan 8.360 nan 0.000 0.402 527 I N -2.063 118.550 120.570 0.071 0.000 2.785 527 I HA 0.888 5.060 4.170 0.003 0.000 0.302 527 I C -0.288 175.876 176.117 0.077 0.000 1.069 527 I CA -0.879 60.461 61.300 0.067 0.000 1.045 527 I CB 2.671 40.714 38.000 0.071 0.000 1.236 527 I HN 0.300 nan 8.210 nan 0.000 0.429 528 S N 1.860 117.596 115.700 0.061 0.000 2.541 528 S HA 0.942 5.414 4.470 0.003 0.000 0.280 528 S C -0.398 174.241 174.600 0.065 0.000 1.112 528 S CA -0.527 57.712 58.200 0.066 0.000 0.925 528 S CB 1.995 65.225 63.200 0.050 0.000 1.067 528 S HN 1.195 nan 8.310 nan 0.000 0.479 529 G N 0.961 109.810 108.800 0.081 0.000 2.623 529 G HA2 0.634 4.596 3.960 0.003 0.000 0.290 529 G HA3 0.634 4.596 3.960 0.003 0.000 0.290 529 G C -1.560 173.398 174.900 0.098 0.000 1.437 529 G CA -0.461 44.696 45.100 0.097 0.000 0.798 529 G HN 0.636 nan 8.290 nan 0.000 0.488 530 S N -1.765 114.010 115.700 0.124 0.000 2.632 530 S HA 0.983 5.455 4.470 0.003 0.000 0.289 530 S C 0.085 174.800 174.600 0.191 0.000 1.115 530 S CA -0.024 58.242 58.200 0.110 0.000 0.889 530 S CB 2.034 65.279 63.200 0.075 0.000 1.116 530 S HN 1.772 nan 8.310 nan 0.000 0.486 531 G N 0.640 109.507 108.800 0.110 0.000 2.495 531 G HA2 0.327 4.289 3.960 0.003 0.000 0.294 531 G HA3 0.327 4.289 3.960 0.003 0.000 0.294 531 G C -0.708 174.212 174.900 0.033 0.000 1.397 531 G CA -0.667 44.492 45.100 0.098 0.000 0.790 531 G HN 0.473 nan 8.290 nan 0.000 0.486 532 N N -0.436 118.273 118.700 0.015 0.000 2.515 532 N HA 0.224 4.966 4.740 0.003 0.000 0.185 532 N C 0.821 176.314 175.510 -0.029 0.000 1.109 532 N CA 1.119 54.166 53.050 -0.003 0.000 0.903 532 N CB 0.754 39.240 38.487 -0.002 0.000 0.969 532 N HN 0.908 nan 8.380 nan 0.000 0.450 533 G N -0.645 108.124 108.800 -0.052 0.000 2.645 533 G HA2 0.357 4.319 3.960 0.003 0.000 0.292 533 G HA3 0.357 4.319 3.960 0.003 0.000 0.292 533 G C -2.336 172.517 174.900 -0.078 0.000 1.415 533 G CA -0.740 44.318 45.100 -0.070 0.000 0.785 533 G HN -0.230 nan 8.290 nan 0.000 0.483 534 P HA 0.011 nan 4.420 nan 0.000 0.219 534 P C 2.085 179.349 177.300 -0.061 0.000 1.150 534 P CA 0.167 63.225 63.100 -0.071 0.000 0.814 534 P CB 0.287 31.932 31.700 -0.092 0.000 0.787 535 L N 0.488 121.646 121.223 -0.107 0.000 1.989 535 L HA -0.104 4.238 4.340 0.003 0.000 0.211 535 L C 2.329 179.131 176.870 -0.113 0.000 1.071 535 L CA 2.294 57.073 54.840 -0.102 0.000 0.749 535 L CB -1.686 40.239 42.059 -0.223 0.000 0.890 535 L HN -0.079 nan 8.230 nan 0.000 0.431 536 A N -0.681 122.018 122.820 -0.201 0.000 1.933 536 A HA -0.080 4.242 4.320 0.003 0.000 0.218 536 A C 2.429 179.674 177.584 -0.564 0.000 1.175 536 A CA 1.855 53.654 52.037 -0.396 0.000 0.628 536 A CB -1.138 17.695 19.000 -0.279 0.000 0.814 536 A HN 0.607 nan 8.150 nan 0.000 0.444 537 A N -1.096 121.595 122.820 -0.216 0.000 1.877 537 A HA -0.038 4.283 4.320 0.003 0.000 0.216 537 A C 2.036 179.621 177.584 0.002 0.000 1.186 537 A CA 1.660 53.654 52.037 -0.072 0.000 0.620 537 A CB -0.719 18.286 19.000 0.009 0.000 0.822 537 A HN 0.641 nan 8.150 nan 0.000 0.443 538 F N 0.642 120.514 119.950 -0.129 0.000 2.134 538 F HA -0.111 4.418 4.527 0.004 0.000 0.299 538 F C 2.287 178.049 175.800 -0.064 0.000 1.097 538 F CA 1.540 59.495 58.000 -0.075 0.000 1.264 538 F CB -0.498 38.455 39.000 -0.077 0.000 1.001 538 F HN 0.022 nan 8.300 nan 0.000 0.479 539 V N 0.161 119.951 119.914 -0.207 0.000 2.343 539 V HA -0.327 3.795 4.120 0.003 0.000 0.247 539 V C 2.543 178.577 176.094 -0.100 0.000 1.051 539 V CA 2.289 64.448 62.300 -0.235 0.000 1.036 539 V CB -0.854 30.854 31.823 -0.192 0.000 0.654 539 V HN 0.364 nan 8.190 nan 0.000 0.451 540 H N 0.127 119.156 119.070 -0.069 0.000 2.428 540 H HA 0.073 4.631 4.556 0.003 0.000 0.296 540 H C 2.317 177.612 175.328 -0.056 0.000 1.062 540 H CA 1.217 57.236 56.048 -0.049 0.000 1.350 540 H CB -0.770 28.979 29.762 -0.022 0.000 1.403 540 H HN 0.447 nan 8.280 nan 0.000 0.533 541 A N 1.031 123.875 122.820 0.040 0.000 1.940 541 A HA -0.112 4.210 4.320 0.003 0.000 0.219 541 A C 2.512 180.071 177.584 -0.042 0.000 1.176 541 A CA 1.205 53.245 52.037 0.005 0.000 0.631 541 A CB -0.877 18.139 19.000 0.027 0.000 0.814 541 A HN 0.329 nan 8.150 nan 0.000 0.446 542 L N -0.925 120.219 121.223 -0.131 0.000 2.291 542 L HA -0.089 4.253 4.340 0.003 0.000 0.214 542 L C 2.909 179.794 176.870 0.025 0.000 1.120 542 L CA 0.595 55.401 54.840 -0.056 0.000 0.799 542 L CB -0.389 41.577 42.059 -0.156 0.000 0.925 542 L HN 0.430 nan 8.230 nan 0.000 0.446 543 A N -0.138 122.682 122.820 0.000 0.000 2.019 543 A HA -0.206 4.116 4.320 0.003 0.000 0.219 543 A C 1.813 179.369 177.584 -0.047 0.000 1.164 543 A CA 1.739 53.769 52.037 -0.011 0.000 0.644 543 A CB -0.320 18.681 19.000 0.003 0.000 0.805 543 A HN 0.338 nan 8.150 nan 0.000 0.449 544 D N -0.739 119.639 120.400 -0.037 0.000 2.277 544 D HA 0.047 4.689 4.640 0.003 0.000 0.208 544 D C 1.590 177.843 176.300 -0.080 0.000 0.962 544 D CA 1.332 55.304 54.000 -0.047 0.000 0.865 544 D CB 0.015 40.801 40.800 -0.023 0.000 0.939 544 D HN 0.394 nan 8.370 nan 0.000 0.510 545 V N -0.170 119.684 119.914 -0.100 0.000 3.514 545 V HA 0.492 4.614 4.120 0.003 0.000 0.301 545 V C 1.524 177.344 176.094 -0.458 0.000 1.346 545 V CA 0.748 62.941 62.300 -0.178 0.000 1.156 545 V CB -0.423 31.364 31.823 -0.060 0.000 1.029 545 V HN 0.187 nan 8.190 nan 0.000 0.428 546 G N -0.226 108.335 108.800 -0.399 0.000 2.141 546 G HA2 -0.187 3.775 3.960 0.003 0.000 0.231 546 G HA3 -0.187 3.775 3.960 0.003 0.000 0.231 546 G C -0.187 174.358 174.900 -0.592 0.000 0.984 546 G CA 0.122 44.930 45.100 -0.486 0.000 0.660 546 G HN 0.649 nan 8.290 nan 0.000 0.525 547 F N 1.126 121.044 119.950 -0.052 0.000 2.375 547 F HA 0.523 5.052 4.527 0.003 0.000 0.361 547 F C 0.074 175.838 175.800 -0.059 0.000 1.117 547 F CA -1.164 56.801 58.000 -0.057 0.000 1.037 547 F CB 1.703 40.657 39.000 -0.077 0.000 1.192 547 F HN -0.010 nan 8.300 nan 0.000 0.452 548 D N 3.872 124.334 120.400 0.104 0.000 2.428 548 D HA 0.324 4.966 4.640 0.003 0.000 0.221 548 D C -0.956 175.373 176.300 0.050 0.000 1.123 548 D CA -0.131 53.901 54.000 0.053 0.000 0.869 548 D CB 1.121 41.934 40.800 0.022 0.000 1.032 548 D HN 0.206 nan 8.370 nan 0.000 0.506 549 V N 3.402 123.336 119.914 0.034 0.000 2.294 549 V HA 0.591 4.713 4.120 0.003 0.000 0.272 549 V C 0.435 176.533 176.094 0.007 0.000 1.027 549 V CA -1.059 61.245 62.300 0.006 0.000 0.823 549 V CB 0.872 32.678 31.823 -0.027 0.000 1.030 549 V HN 0.695 nan 8.190 nan 0.000 0.457 550 A N 5.402 128.222 122.820 0.001 0.000 2.366 550 A HA 0.640 4.962 4.320 0.003 0.000 0.322 550 A C -0.102 177.469 177.584 -0.022 0.000 1.397 550 A CA -0.387 51.651 52.037 0.000 0.000 0.984 550 A CB 0.372 19.372 19.000 -0.001 0.000 1.149 550 A HN 0.628 nan 8.150 nan 0.000 0.540 551 V N 4.753 124.653 119.914 -0.022 0.000 2.479 551 V HA 0.009 4.131 4.120 0.003 0.000 0.281 551 V C 1.177 177.246 176.094 -0.042 0.000 1.031 551 V CA 0.507 62.783 62.300 -0.041 0.000 1.038 551 V CB 0.560 32.360 31.823 -0.037 0.000 0.981 551 V HN 0.903 nan 8.190 nan 0.000 0.478 552 L N 2.434 123.612 121.223 -0.075 0.000 2.425 552 L HA 0.421 4.763 4.340 0.003 0.000 0.215 552 L C 0.478 177.320 176.870 -0.048 0.000 1.065 552 L CA 0.575 55.376 54.840 -0.065 0.000 0.842 552 L CB 0.294 42.295 42.059 -0.096 0.000 1.033 552 L HN 0.608 nan 8.230 nan 0.000 0.474 553 D N -1.929 118.428 120.400 -0.072 0.000 2.622 553 D HA 0.349 4.991 4.640 0.003 0.000 0.255 553 D C -1.921 174.429 176.300 0.083 0.000 1.246 553 D CA -0.346 53.653 54.000 -0.002 0.000 0.795 553 D CB 2.505 43.366 40.800 0.102 0.000 1.369 553 D HN -0.134 nan 8.370 nan 0.000 0.425 554 Y N 1.105 121.337 120.300 -0.115 0.000 2.480 554 Y HA 0.573 5.124 4.550 0.003 0.000 0.329 554 Y C -2.310 173.444 175.900 -0.244 0.000 1.127 554 Y CA -0.561 57.532 58.100 -0.011 0.000 1.037 554 Y CB 0.798 39.242 38.460 -0.027 0.000 1.320 554 Y HN 0.352 nan 8.280 nan 0.000 0.446 555 Y N 3.197 123.180 120.300 -0.529 0.000 2.524 555 Y HA 0.640 5.192 4.550 0.003 0.000 0.347 555 Y C -0.622 175.039 175.900 -0.398 0.000 1.005 555 Y CA -1.013 56.823 58.100 -0.440 0.000 1.025 555 Y CB 2.669 41.132 38.460 0.006 0.000 1.275 555 Y HN 0.708 nan 8.280 nan 0.000 0.460 556 E N 0.827 120.957 120.200 -0.116 0.000 2.366 556 E HA 0.518 4.870 4.350 0.003 0.000 0.278 556 E C -1.847 174.824 176.600 0.118 0.000 0.923 556 E CA -0.796 55.592 56.400 -0.019 0.000 0.761 556 E CB 2.042 31.739 29.700 -0.005 0.000 1.231 556 E HN 0.777 nan 8.360 nan 0.000 0.443 557 H N 0.225 119.361 119.070 0.111 0.000 3.008 557 H HA 0.793 5.351 4.556 0.003 0.000 0.354 557 H C -1.046 174.314 175.328 0.053 0.000 1.252 557 H CA -0.637 55.462 56.048 0.084 0.000 1.117 557 H CB 0.914 30.734 29.762 0.096 0.000 1.857 557 H HN 0.494 nan 8.280 nan 0.000 0.547 561 A N -0.382 122.439 122.820 0.002 0.000 2.733 561 A HA 0.671 4.993 4.320 0.003 0.000 0.232 561 A C 0.686 178.271 177.584 0.002 0.000 1.251 561 A CA 0.893 52.933 52.037 0.004 0.000 1.015 561 A CB -0.195 18.806 19.000 0.002 0.000 1.291 561 A HN 1.147 nan 8.150 nan 0.000 0.595 562 G N -0.560 108.240 108.800 -0.001 0.000 3.414 562 G HA2 0.409 4.371 3.960 0.003 0.000 0.189 562 G HA3 0.409 4.371 3.960 0.003 0.000 0.189 562 G C 0.692 175.591 174.900 -0.002 0.000 1.329 562 G CA 1.055 46.154 45.100 -0.002 0.000 0.851 562 G HN 0.235 nan 8.290 nan 0.000 0.671 563 D N -1.012 119.386 120.400 -0.003 0.000 2.269 563 D HA 0.161 4.803 4.640 0.003 0.000 0.208 563 D C 1.816 178.114 176.300 -0.003 0.000 0.963 563 D CA 1.849 55.848 54.000 -0.003 0.000 0.864 563 D CB -0.861 39.937 40.800 -0.003 0.000 0.936 563 D HN 0.533 nan 8.370 nan 0.000 0.505 564 D N -0.666 119.731 120.400 -0.004 0.000 2.340 564 D HA 0.533 5.175 4.640 0.003 0.000 0.220 564 D C 1.308 177.606 176.300 -0.002 0.000 1.039 564 D CA 0.632 54.630 54.000 -0.004 0.000 0.866 564 D CB -0.339 40.457 40.800 -0.007 0.000 0.913 564 D HN 0.825 nan 8.370 nan 0.000 0.523 565 A N -0.100 122.720 122.820 -0.000 0.000 2.511 565 A HA 0.501 4.823 4.320 0.003 0.000 0.242 565 A C 0.370 177.955 177.584 0.002 0.000 1.069 565 A CA 0.296 52.335 52.037 0.004 0.000 0.763 565 A CB 0.349 19.352 19.000 0.005 0.000 1.001 565 A HN 0.507 nan 8.150 nan 0.000 0.498 566 Q N -0.359 119.445 119.800 0.006 0.000 2.484 566 Q HA 0.673 5.015 4.340 0.003 0.000 0.285 566 Q C -0.776 175.218 176.000 -0.010 0.000 1.097 566 Q CA -0.836 54.965 55.803 -0.003 0.000 0.802 566 Q CB 2.514 31.251 28.738 -0.001 0.000 1.444 566 Q HN 0.957 nan 8.270 nan 0.000 0.429 567 A N 0.450 123.248 122.820 -0.037 0.000 2.342 567 A HA 0.846 5.168 4.320 0.003 0.000 0.323 567 A C -1.257 176.233 177.584 -0.157 0.000 1.125 567 A CA -0.439 51.553 52.037 -0.075 0.000 0.785 567 A CB 1.351 20.321 19.000 -0.050 0.000 1.221 567 A HN 0.621 nan 8.150 nan 0.000 0.463 568 A N 1.224 123.853 122.820 -0.319 0.000 2.303 568 A HA 0.800 5.122 4.320 0.003 0.000 0.320 568 A C 0.025 177.239 177.584 -0.617 0.000 1.192 568 A CA 0.111 51.844 52.037 -0.507 0.000 0.821 568 A CB 0.812 19.417 19.000 -0.657 0.000 1.188 568 A HN 2.170 nan 8.150 nan 0.000 0.492 569 A N 1.872 124.343 122.820 -0.582 0.000 2.365 569 A HA 0.823 5.145 4.320 0.003 0.000 0.318 569 A C -1.466 175.801 177.584 -0.528 0.000 1.091 569 A CA -0.430 51.386 52.037 -0.369 0.000 0.763 569 A CB 0.810 19.797 19.000 -0.020 0.000 1.248 569 A HN 0.815 nan 8.150 nan 0.000 0.442 570 Y N 0.535 120.950 120.300 0.190 0.000 2.373 570 Y HA 0.548 5.100 4.550 0.003 0.000 0.336 570 Y C -0.328 175.875 175.900 0.505 0.000 0.979 570 Y CA -0.895 57.414 58.100 0.348 0.000 1.080 570 Y CB 2.318 40.968 38.460 0.316 0.000 1.190 570 Y HN 0.383 nan 8.280 nan 0.000 0.446 571 V N 2.900 123.157 119.914 0.570 0.000 2.531 571 V HA 0.337 4.459 4.120 0.003 0.000 0.301 571 V C -0.555 175.502 176.094 -0.062 0.000 1.034 571 V CA -1.014 61.458 62.300 0.288 0.000 0.865 571 V CB 1.846 33.786 31.823 0.195 0.000 0.995 571 V HN 0.774 nan 8.190 nan 0.000 0.424 572 E N 3.137 122.998 120.200 -0.565 0.000 2.156 572 E HA 0.756 5.108 4.350 0.003 0.000 0.279 572 E C -0.673 175.671 176.600 -0.426 0.000 0.965 572 E CA -0.412 55.371 56.400 -1.028 0.000 0.789 572 E CB 1.678 30.418 29.700 -1.599 0.000 1.098 572 E HN 0.882 nan 8.360 nan 0.000 0.397 573 A N 3.106 125.745 122.820 -0.302 0.000 2.515 573 A HA 0.395 4.717 4.320 0.003 0.000 0.298 573 A C -0.934 176.588 177.584 -0.102 0.000 1.059 573 A CA -0.672 51.278 52.037 -0.145 0.000 0.698 573 A CB 2.038 20.988 19.000 -0.084 0.000 1.289 573 A HN 0.458 nan 8.150 nan 0.000 0.404 574 S N 1.186 116.849 115.700 -0.062 0.000 2.439 574 S HA 0.528 5.000 4.470 0.003 0.000 0.282 574 S C -0.490 174.104 174.600 -0.011 0.000 1.170 574 S CA -0.311 57.872 58.200 -0.029 0.000 1.054 574 S CB -0.256 62.933 63.200 -0.017 0.000 0.956 574 S HN 0.838 nan 8.310 nan 0.000 0.490 575 V N 5.425 125.339 119.914 0.000 0.000 2.513 575 V HA 0.548 4.670 4.120 0.003 0.000 0.299 575 V C 0.132 176.247 176.094 0.035 0.000 1.035 575 V CA -0.617 61.695 62.300 0.020 0.000 0.889 575 V CB 1.992 33.825 31.823 0.017 0.000 0.988 575 V HN 0.900 nan 8.190 nan 0.000 0.440 576 T N 5.861 120.445 114.554 0.050 0.000 2.848 576 T HA 0.703 5.055 4.350 0.003 0.000 0.285 576 T C -0.519 174.227 174.700 0.077 0.000 0.995 576 T CA -0.217 61.911 62.100 0.047 0.000 0.970 576 T CB 1.244 70.126 68.868 0.024 0.000 0.976 576 T HN 0.398 nan 8.240 nan 0.000 0.441 577 I N 2.024 122.640 120.570 0.076 0.000 2.509 577 I HA 0.634 4.806 4.170 0.003 0.000 0.293 577 I C 0.443 176.560 176.117 0.001 0.000 1.020 577 I CA -1.320 60.035 61.300 0.091 0.000 1.088 577 I CB 1.767 39.882 38.000 0.192 0.000 1.267 577 I HN 0.670 nan 8.210 nan 0.000 0.430 578 A N 4.174 126.945 122.820 -0.081 0.000 2.425 578 A HA 0.681 5.003 4.320 0.003 0.000 0.249 578 A C 0.758 178.304 177.584 -0.062 0.000 1.084 578 A CA 0.713 52.696 52.037 -0.089 0.000 0.781 578 A CB -0.092 18.820 19.000 -0.147 0.000 1.019 578 A HN 1.357 nan 8.150 nan 0.000 0.490 615 S N -0.280 115.432 115.700 0.020 0.000 2.537 615 S HA 0.960 5.432 4.470 0.003 0.000 0.301 615 S C -0.337 174.277 174.600 0.024 0.000 1.092 615 S CA 0.567 58.780 58.200 0.021 0.000 1.048 615 S CB 1.106 64.316 63.200 0.016 0.000 1.053 615 S HN 1.766 nan 8.310 nan 0.000 0.501 616 K N 1.576 121.990 120.400 0.024 0.000 2.468 616 K HA 0.668 4.990 4.320 0.003 0.000 0.252 616 K C -0.486 176.126 176.600 0.020 0.000 0.932 616 K CA -0.836 55.468 56.287 0.028 0.000 0.794 616 K CB 1.145 33.665 32.500 0.033 0.000 1.241 616 K HN 0.750 nan 8.250 nan 0.000 0.428 617 T N 2.224 116.793 114.554 0.024 0.000 2.749 617 T HA 0.583 4.935 4.350 0.003 0.000 0.295 617 T C 0.094 174.810 174.700 0.025 0.000 0.936 617 T CA -0.022 62.079 62.100 0.002 0.000 1.060 617 T CB 0.087 68.959 68.868 0.008 0.000 0.904 617 T HN 1.179 nan 8.240 nan 0.000 0.500 618 V N 0.721 120.626 119.914 -0.015 0.000 3.147 618 V HA 0.753 4.875 4.120 0.003 0.000 0.306 618 V C -1.710 174.385 176.094 0.002 0.000 1.209 618 V CA -1.625 60.718 62.300 0.073 0.000 1.023 618 V CB 1.588 33.464 31.823 0.087 0.000 1.059 618 V HN 0.841 nan 8.190 nan 0.000 0.435 619 W N 0.494 121.909 121.300 0.190 0.000 2.449 619 W HA 0.826 5.488 4.660 0.003 0.000 0.331 619 W C 0.609 177.282 176.519 0.256 0.000 1.119 619 W CA 0.190 57.662 57.345 0.212 0.000 1.240 619 W CB 2.118 31.698 29.460 0.200 0.000 1.251 619 W HN 1.060 nan 8.180 nan 0.000 0.576 620 G N 0.750 109.818 108.800 0.446 0.000 2.482 620 G HA2 0.681 4.643 3.960 0.003 0.000 0.317 620 G HA3 0.681 4.643 3.960 0.003 0.000 0.317 620 G C -1.905 173.163 174.900 0.280 0.000 1.241 620 G CA -0.723 44.574 45.100 0.328 0.000 0.967 620 G HN 0.303 nan 8.290 nan 0.000 0.482 621 V N 0.027 120.026 119.914 0.142 0.000 2.680 621 V HA 0.930 5.052 4.120 0.003 0.000 0.309 621 V C 0.488 176.557 176.094 -0.042 0.000 1.052 621 V CA -0.356 61.943 62.300 -0.001 0.000 0.908 621 V CB 1.927 33.705 31.823 -0.075 0.000 1.001 621 V HN 1.150 nan 8.190 nan 0.000 0.431 622 G N 3.061 111.785 108.800 -0.126 0.000 2.682 622 G HA2 0.798 4.760 3.960 0.003 0.000 0.300 622 G HA3 0.798 4.760 3.960 0.003 0.000 0.300 622 G C -1.600 173.220 174.900 -0.134 0.000 1.391 622 G CA -0.477 44.567 45.100 -0.093 0.000 0.990 622 G HN 0.573 nan 8.290 nan 0.000 0.501 623 I N 0.954 121.482 120.570 -0.069 0.000 2.533 623 I HA 0.743 4.915 4.170 0.003 0.000 0.290 623 I C 0.006 176.102 176.117 -0.035 0.000 1.056 623 I CA -0.657 60.611 61.300 -0.053 0.000 1.057 623 I CB 2.222 40.229 38.000 0.013 0.000 1.240 623 I HN 0.806 nan 8.210 nan 0.000 0.423 624 A N 6.442 129.238 122.820 -0.041 0.000 2.597 624 A HA 0.662 4.984 4.320 0.003 0.000 0.292 624 A C -2.661 174.906 177.584 -0.029 0.000 1.057 624 A CA -0.899 51.119 52.037 -0.032 0.000 0.674 624 A CB 1.144 20.117 19.000 -0.045 0.000 1.278 624 A HN 0.424 nan 8.150 nan 0.000 0.416 625 P HA 0.016 nan 4.420 nan 0.000 0.221 625 P C 0.686 177.973 177.300 -0.021 0.000 1.150 625 P CA 1.362 64.452 63.100 -0.017 0.000 0.800 625 P CB 0.257 31.950 31.700 -0.013 0.000 0.787 626 S N -0.384 115.298 115.700 -0.029 0.000 2.508 626 S HA 0.284 4.756 4.470 0.003 0.000 0.284 626 S C 1.347 175.928 174.600 -0.032 0.000 1.192 626 S CA -0.828 57.353 58.200 -0.031 0.000 1.070 626 S CB 0.115 63.290 63.200 -0.041 0.000 1.004 626 S HN 0.038 nan 8.310 nan 0.000 0.493 627 I N 3.006 123.564 120.570 -0.019 0.000 2.335 627 I HA -0.073 4.099 4.170 0.003 0.000 0.251 627 I C 1.895 178.004 176.117 -0.014 0.000 1.129 627 I CA 1.485 62.783 61.300 -0.005 0.000 1.402 627 I CB -1.193 36.819 38.000 0.020 0.000 1.069 627 I HN 0.532 nan 8.210 nan 0.000 0.424 628 T N 1.040 115.571 114.554 -0.038 0.000 2.668 628 T HA -0.132 4.220 4.350 0.003 0.000 0.262 628 T C 1.900 176.545 174.700 -0.091 0.000 1.045 628 T CA 2.382 64.442 62.100 -0.068 0.000 1.152 628 T CB -0.607 68.214 68.868 -0.079 0.000 0.864 628 T HN 0.466 nan 8.240 nan 0.000 0.419 629 T N 2.098 116.598 114.554 -0.091 0.000 2.833 629 T HA 0.015 4.367 4.350 0.003 0.000 0.269 629 T C 2.379 177.020 174.700 -0.099 0.000 1.054 629 T CA 1.008 63.041 62.100 -0.113 0.000 1.135 629 T CB -0.532 68.280 68.868 -0.093 0.000 0.869 629 T HN 0.413 nan 8.240 nan 0.000 0.466 630 A N 2.097 124.875 122.820 -0.071 0.000 1.902 630 A HA -0.133 4.189 4.320 0.003 0.000 0.217 630 A C 2.616 180.172 177.584 -0.048 0.000 1.181 630 A CA 2.203 54.200 52.037 -0.067 0.000 0.623 630 A CB -0.987 17.969 19.000 -0.073 0.000 0.818 630 A HN 0.617 nan 8.150 nan 0.000 0.443 631 S N 0.225 115.912 115.700 -0.023 0.000 2.368 631 S HA -0.125 4.346 4.470 0.003 0.000 0.225 631 S C 1.911 176.497 174.600 -0.024 0.000 1.030 631 S CA 1.528 59.735 58.200 0.012 0.000 0.999 631 S CB -0.820 62.363 63.200 -0.028 0.000 0.844 631 S HN 0.468 nan 8.310 nan 0.000 0.459 632 L N 0.774 121.927 121.223 -0.116 0.000 2.056 632 L HA -0.013 4.329 4.340 0.003 0.000 0.207 632 L C 3.164 179.963 176.870 -0.118 0.000 1.078 632 L CA 1.390 56.091 54.840 -0.232 0.000 0.749 632 L CB -0.571 41.174 42.059 -0.522 0.000 0.901 632 L HN 0.293 nan 8.230 nan 0.000 0.433 633 R N 0.194 120.636 120.500 -0.095 0.000 2.096 633 R HA -0.115 4.227 4.340 0.003 0.000 0.235 633 R C 2.441 178.745 176.300 0.006 0.000 1.127 633 R CA 1.261 57.334 56.100 -0.046 0.000 0.968 633 R CB -0.423 29.845 30.300 -0.053 0.000 0.861 633 R HN 0.353 nan 8.270 nan 0.000 0.440 634 A N 0.580 123.411 122.820 0.019 0.000 1.969 634 A HA -0.082 4.240 4.320 0.003 0.000 0.218 634 A C 2.301 179.944 177.584 0.099 0.000 1.169 634 A CA 1.108 53.182 52.037 0.063 0.000 0.635 634 A CB -0.299 18.753 19.000 0.086 0.000 0.810 634 A HN 0.103 nan 8.150 nan 0.000 0.445 635 V N -0.493 119.492 119.914 0.119 0.000 2.307 635 V HA -0.203 3.919 4.120 0.003 0.000 0.245 635 V C 2.575 178.725 176.094 0.093 0.000 1.045 635 V CA 1.879 64.259 62.300 0.134 0.000 1.024 635 V CB -0.680 31.291 31.823 0.247 0.000 0.651 635 V HN 0.365 nan 8.190 nan 0.000 0.449 636 V N -0.167 119.829 119.914 0.137 0.000 2.287 636 V HA -0.286 3.835 4.120 0.003 0.000 0.248 636 V C 2.711 178.796 176.094 -0.014 0.000 1.053 636 V CA 2.437 64.766 62.300 0.048 0.000 1.027 636 V CB -0.802 31.066 31.823 0.074 0.000 0.646 636 V HN 0.642 nan 8.190 nan 0.000 0.447 637 S N -0.065 115.645 115.700 0.017 0.000 2.374 637 S HA -0.251 4.221 4.470 0.003 0.000 0.227 637 S C 2.112 176.732 174.600 0.033 0.000 1.037 637 S CA 1.912 60.125 58.200 0.021 0.000 1.024 637 S CB -0.376 62.861 63.200 0.063 0.000 0.861 637 S HN 0.634 nan 8.310 nan 0.000 0.456 638 A N 0.662 123.517 122.820 0.058 0.000 1.902 638 A HA 0.016 4.338 4.320 0.003 0.000 0.217 638 A C 2.388 179.960 177.584 -0.020 0.000 1.181 638 A CA 1.748 53.816 52.037 0.053 0.000 0.623 638 A CB -1.073 17.957 19.000 0.049 0.000 0.818 638 A HN 0.466 nan 8.150 nan 0.000 0.443 639 V N 1.117 120.984 119.914 -0.079 0.000 2.295 639 V HA -0.263 3.859 4.120 0.003 0.000 0.246 639 V C 2.218 178.223 176.094 -0.147 0.000 1.049 639 V CA 2.200 64.402 62.300 -0.165 0.000 1.024 639 V CB -0.927 30.672 31.823 -0.374 0.000 0.648 639 V HN 0.565 nan 8.190 nan 0.000 0.447 640 N N -0.174 118.444 118.700 -0.137 0.000 2.309 640 N HA -0.088 4.654 4.740 0.003 0.000 0.182 640 N C 1.912 177.367 175.510 -0.092 0.000 1.018 640 N CA 0.822 53.804 53.050 -0.113 0.000 0.876 640 N CB -0.342 38.082 38.487 -0.105 0.000 0.972 640 N HN 0.403 nan 8.380 nan 0.000 0.434 641 R N 0.919 121.366 120.500 -0.087 0.000 2.081 641 R HA 0.042 4.384 4.340 0.003 0.000 0.235 641 R C 1.930 178.199 176.300 -0.051 0.000 1.131 641 R CA 1.069 57.110 56.100 -0.098 0.000 0.960 641 R CB -0.560 29.695 30.300 -0.075 0.000 0.856 641 R HN 0.195 nan 8.270 nan 0.000 0.436 642 A N 1.223 124.027 122.820 -0.027 0.000 2.070 642 A HA 0.051 4.373 4.320 0.003 0.000 0.220 642 A C 1.357 178.943 177.584 0.002 0.000 1.159 642 A CA 1.171 53.206 52.037 -0.003 0.000 0.656 642 A CB -0.299 18.705 19.000 0.006 0.000 0.800 642 A HN 0.372 nan 8.150 nan 0.000 0.453 643 A N 0.000 122.813 122.820 -0.011 0.000 2.254 643 A HA 0.000 4.322 4.320 0.003 0.000 0.244 643 A CA 0.000 52.038 52.037 0.002 0.000 0.836 643 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 643 A HN 0.000 nan 8.150 nan 0.000 0.486