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_A 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 VGRTYEAVIX XXXXXXKGGV AYIXKTDHGL SLPRRLQIEF SQVIQKIXXX DATA SEQUENCE XXXXXXEVSP KEXWDAFAEE YLAPVRPLER IRQHVDAADD DGGTTSITAT DATA SEQUENCE VKINGVETEI SGSGNGPLAA FVHALADVGF DVAVLDYYEH AXSAGDDAQA DATA SEQUENCE AAYVEASVTI XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXSKT 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 0.000 174.690 174.700 -0.017 0.000 1.109 18 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 18 T CB 0.000 68.848 68.868 -0.033 0.000 0.612 19 I N 2.193 122.754 120.570 -0.015 0.000 2.371 19 I HA 0.493 4.660 4.170 -0.005 0.000 0.290 19 I C -0.381 175.729 176.117 -0.011 0.000 1.028 19 I CA -0.526 60.768 61.300 -0.011 0.000 1.345 19 I CB 1.402 39.397 38.000 -0.007 0.000 1.407 19 I HN 0.228 nan 8.210 nan 0.000 0.501 20 V N 7.014 126.923 119.914 -0.009 0.000 2.409 20 V HA 0.205 4.322 4.120 -0.005 0.000 0.291 20 V C 0.178 176.268 176.094 -0.006 0.000 1.020 20 V CA -0.986 61.309 62.300 -0.009 0.000 0.848 20 V CB 1.675 33.494 31.823 -0.008 0.000 0.990 20 V HN 0.632 nan 8.190 nan 0.000 0.430 21 K N 6.051 126.447 120.400 -0.006 0.000 2.472 21 K HA 0.149 4.467 4.320 -0.005 0.000 0.280 21 K C -2.262 174.336 176.600 -0.003 0.000 1.028 21 K CA -0.886 55.398 56.287 -0.004 0.000 1.045 21 K CB 0.420 32.917 32.500 -0.004 0.000 0.902 21 K HN 0.384 nan 8.250 nan 0.000 0.478 22 P HA -0.081 nan 4.420 nan 0.000 0.264 22 P C -0.930 176.368 177.300 -0.003 0.000 1.183 22 P CA 0.319 63.418 63.100 -0.002 0.000 0.763 22 P CB 1.047 32.747 31.700 -0.001 0.000 0.807 23 A N 2.801 125.619 122.820 -0.003 0.000 2.653 23 A HA 0.445 4.762 4.320 -0.005 0.000 0.248 23 A C 0.944 178.525 177.584 -0.005 0.000 1.211 23 A CA 0.302 52.336 52.037 -0.005 0.000 0.991 23 A CB -0.120 18.877 19.000 -0.005 0.000 1.252 23 A HN 0.592 nan 8.150 nan 0.000 0.593 24 G N 0.726 109.523 108.800 -0.005 0.000 2.572 24 G HA2 0.483 4.440 3.960 -0.005 0.000 0.261 24 G HA3 0.483 4.440 3.960 -0.005 0.000 0.261 24 G C -2.869 172.025 174.900 -0.009 0.000 1.197 24 G CA -1.260 43.836 45.100 -0.006 0.000 0.870 24 G HN 0.078 nan 8.290 nan 0.000 0.548 25 P HA 0.125 nan 4.420 nan 0.000 0.265 25 P C -2.084 175.205 177.300 -0.020 0.000 1.193 25 P CA -0.479 62.611 63.100 -0.016 0.000 0.765 25 P CB 0.227 31.918 31.700 -0.015 0.000 0.823 26 P HA 0.078 nan 4.420 nan 0.000 0.269 26 P C 0.247 177.525 177.300 -0.037 0.000 1.211 26 P CA 0.148 63.226 63.100 -0.036 0.000 0.781 26 P CB 0.290 31.960 31.700 -0.050 0.000 0.877 27 R N 1.351 121.826 120.500 -0.042 0.000 2.679 27 R HA 0.315 4.652 4.340 -0.005 0.000 0.268 27 R C 0.441 176.713 176.300 -0.047 0.000 1.044 27 R CA -0.123 55.955 56.100 -0.038 0.000 1.105 27 R CB -1.118 29.159 30.300 -0.037 0.000 0.989 27 R HN 0.560 nan 8.270 nan 0.000 0.447 28 V N 0.291 120.183 119.914 -0.037 0.000 2.599 28 V HA 0.499 4.616 4.120 -0.005 0.000 0.300 28 V C 1.560 177.625 176.094 -0.049 0.000 1.034 28 V CA 0.379 62.656 62.300 -0.039 0.000 1.115 28 V CB 0.363 32.170 31.823 -0.027 0.000 0.934 28 V HN 2.221 nan 8.190 nan 0.000 0.485 29 G N 2.180 110.943 108.800 -0.060 0.000 2.162 29 G HA2 -0.305 3.653 3.960 -0.005 0.000 0.260 29 G HA3 -0.305 3.653 3.960 -0.005 0.000 0.260 29 G C 0.269 175.101 174.900 -0.113 0.000 0.976 29 G CA 0.577 45.633 45.100 -0.073 0.000 0.655 29 G HN 1.328 nan 8.290 nan 0.000 0.533 30 Q N 1.274 120.997 119.800 -0.129 0.000 2.289 30 Q HA 0.423 4.760 4.340 -0.005 0.000 0.273 30 Q C -1.602 174.222 176.000 -0.294 0.000 1.029 30 Q CA -1.347 54.340 55.803 -0.193 0.000 0.896 30 Q CB 0.709 29.356 28.738 -0.152 0.000 1.182 30 Q HN 0.305 nan 8.270 nan 0.000 0.385 31 P HA -0.044 nan 4.420 nan 0.000 0.269 31 P C 0.116 177.042 177.300 -0.624 0.000 1.215 31 P CA 0.033 62.694 63.100 -0.732 0.000 0.780 31 P CB 0.908 31.680 31.700 -1.547 0.000 0.898 32 S N 1.250 116.693 115.700 -0.427 0.000 2.383 32 S HA -0.161 4.306 4.470 -0.005 0.000 0.229 32 S C 1.617 176.155 174.600 -0.104 0.000 1.030 32 S CA 0.836 58.921 58.200 -0.192 0.000 1.002 32 S CB -1.141 62.023 63.200 -0.060 0.000 0.829 32 S HN 0.748 nan 8.310 nan 0.000 0.467 33 W N 1.706 123.008 121.300 0.003 0.000 2.937 33 W HA 0.336 4.996 4.660 -0.001 0.000 0.245 33 W C 0.274 176.795 176.519 0.003 0.000 1.306 33 W CA -0.250 57.097 57.345 0.003 0.000 1.470 33 W CB -0.710 28.753 29.460 0.003 0.000 1.132 33 W HN 0.218 nan 8.180 nan 0.000 0.675 34 N N 3.021 121.669 118.700 -0.086 0.000 2.609 34 N HA 0.173 4.911 4.740 -0.005 0.000 0.234 34 N C -1.921 173.558 175.510 -0.052 0.000 1.001 34 N CA -2.323 50.712 53.050 -0.025 0.000 0.926 34 N CB 1.265 39.643 38.487 -0.183 0.000 1.130 34 N HN -0.177 nan 8.380 nan 0.000 0.510 35 P HA 0.068 nan 4.420 nan 0.000 0.257 35 P C -0.208 177.089 177.300 -0.004 0.000 1.325 35 P CA 0.099 63.197 63.100 -0.003 0.000 0.850 35 P CB 0.375 32.086 31.700 0.019 0.000 1.324 36 Q N 0.747 120.546 119.800 -0.002 0.000 2.428 36 Q HA 0.109 4.446 4.340 -0.005 0.000 0.276 36 Q C 0.355 176.348 176.000 -0.011 0.000 1.059 36 Q CA 0.337 56.140 55.803 -0.000 0.000 0.923 36 Q CB 0.575 29.317 28.738 0.006 0.000 1.283 36 Q HN 0.065 nan 8.270 nan 0.000 0.447 37 R N 0.400 120.896 120.500 -0.007 0.000 2.787 37 R HA 0.564 4.901 4.340 -0.005 0.000 0.271 37 R C -0.829 175.467 176.300 -0.007 0.000 0.993 37 R CA -0.883 55.211 56.100 -0.009 0.000 0.993 37 R CB 1.195 31.491 30.300 -0.006 0.000 1.155 37 R HN 0.707 nan 8.270 nan 0.000 0.486 38 A N 1.409 124.224 122.820 -0.007 0.000 2.477 38 A HA 0.240 4.557 4.320 -0.005 0.000 0.246 38 A C 0.669 178.253 177.584 -0.000 0.000 1.078 38 A CA -0.063 51.972 52.037 -0.003 0.000 0.770 38 A CB -0.006 18.992 19.000 -0.003 0.000 1.011 38 A HN 0.781 nan 8.150 nan 0.000 0.494 39 S N 2.226 117.928 115.700 0.003 0.000 2.655 39 S HA 0.610 5.077 4.470 -0.005 0.000 0.265 39 S C 0.512 175.116 174.600 0.007 0.000 1.240 39 S CA 0.013 58.215 58.200 0.004 0.000 0.986 39 S CB 0.769 63.972 63.200 0.005 0.000 0.985 39 S HN 1.565 nan 8.310 nan 0.000 0.562 43 V N -0.467 119.530 119.914 0.138 0.000 2.469 43 V HA -0.239 3.879 4.120 -0.005 0.000 0.251 43 V C 1.826 178.014 176.094 0.157 0.000 1.064 43 V CA 2.151 64.560 62.300 0.181 0.000 1.066 43 V CB -1.078 30.804 31.823 0.099 0.000 0.667 43 V HN 0.494 nan 8.190 nan 0.000 0.461 44 N N 1.385 120.124 118.700 0.065 0.000 2.573 44 N HA -0.154 4.583 4.740 -0.005 0.000 0.187 44 N C 1.633 177.101 175.510 -0.070 0.000 1.107 44 N CA 1.212 54.268 53.050 0.010 0.000 0.918 44 N CB -0.874 37.611 38.487 -0.004 0.000 0.966 44 N HN 0.606 nan 8.380 nan 0.000 0.448 45 R N -1.137 119.268 120.500 -0.157 0.000 2.299 45 R HA 0.094 4.432 4.340 -0.005 0.000 0.197 45 R C -0.290 175.508 176.300 -0.837 0.000 0.971 45 R CA 0.420 56.225 56.100 -0.492 0.000 1.030 45 R CB -0.058 29.843 30.300 -0.666 0.000 0.932 45 R HN 0.307 nan 8.270 nan 0.000 0.477 46 Y N -0.210 120.094 120.300 0.007 0.000 2.462 46 Y HA 0.454 5.000 4.550 -0.006 0.000 0.346 46 Y C 0.099 176.007 175.900 0.013 0.000 0.976 46 Y CA -1.165 56.943 58.100 0.012 0.000 1.044 46 Y CB 1.595 40.066 38.460 0.018 0.000 1.230 46 Y HN -0.307 nan 8.280 nan 0.000 0.455 47 R N 1.829 122.416 120.500 0.144 0.000 2.778 47 R HA 0.552 4.889 4.340 -0.005 0.000 0.277 47 R C -2.721 173.640 176.300 0.101 0.000 0.977 47 R CA -2.091 54.059 56.100 0.083 0.000 0.950 47 R CB 1.187 31.503 30.300 0.026 0.000 1.165 47 R HN 0.395 nan 8.270 nan 0.000 0.474 48 P HA -0.100 nan 4.420 nan 0.000 0.266 48 P C 0.116 177.491 177.300 0.125 0.000 1.186 48 P CA 0.117 63.282 63.100 0.108 0.000 0.767 48 P CB 0.347 32.096 31.700 0.081 0.000 0.820 49 F N 3.015 122.981 119.950 0.027 0.000 2.091 49 F HA -0.260 4.264 4.527 -0.005 0.000 0.299 49 F C 2.151 177.954 175.800 0.005 0.000 1.103 49 F CA 2.167 60.179 58.000 0.019 0.000 1.228 49 F CB -0.706 38.306 39.000 0.019 0.000 0.984 49 F HN 0.368 nan 8.300 nan 0.000 0.477 50 A N -0.506 122.364 122.820 0.084 0.000 1.986 50 A HA -0.271 4.046 4.320 -0.005 0.000 0.220 50 A C 2.240 179.749 177.584 -0.125 0.000 1.171 50 A CA 2.056 54.071 52.037 -0.037 0.000 0.640 50 A CB -0.901 18.130 19.000 0.053 0.000 0.811 50 A HN 0.625 nan 8.150 nan 0.000 0.451 51 E N -1.077 119.070 120.200 -0.089 0.000 2.122 51 E HA -0.142 4.205 4.350 -0.005 0.000 0.190 51 E C 1.989 178.511 176.600 -0.131 0.000 0.977 51 E CA 0.895 57.243 56.400 -0.085 0.000 0.820 51 E CB -0.011 29.667 29.700 -0.036 0.000 0.770 51 E HN 0.579 nan 8.360 nan 0.000 0.462 52 E N -0.197 119.905 120.200 -0.164 0.000 2.106 52 E HA -0.110 4.237 4.350 -0.005 0.000 0.192 52 E C 1.420 177.855 176.600 -0.275 0.000 0.984 52 E CA 1.267 57.562 56.400 -0.175 0.000 0.806 52 E CB 0.315 29.941 29.700 -0.123 0.000 0.750 52 E HN 0.116 nan 8.360 nan 0.000 0.458 53 V N -0.696 118.923 119.914 -0.493 0.000 3.949 53 V HA 0.275 4.392 4.120 -0.005 0.000 0.195 53 V C 0.237 176.110 176.094 -0.368 0.000 1.114 53 V CA 0.426 62.419 62.300 -0.511 0.000 1.384 53 V CB 0.128 31.420 31.823 -0.885 0.000 1.685 53 V HN 0.388 nan 8.190 nan 0.000 0.492 54 E N 0.761 120.720 120.200 -0.402 0.000 2.416 54 E HA 0.420 4.767 4.350 -0.005 0.000 0.280 54 E C -3.224 173.301 176.600 -0.125 0.000 1.055 54 E CA -1.862 54.414 56.400 -0.207 0.000 0.825 54 E CB 1.957 31.558 29.700 -0.166 0.000 1.312 54 E HN 0.248 nan 8.360 nan 0.000 0.452 55 P HA 0.138 nan 4.420 nan 0.000 0.272 55 P C 0.302 177.593 177.300 -0.014 0.000 1.223 55 P CA -0.377 62.723 63.100 0.000 0.000 0.784 55 P CB 0.397 32.095 31.700 -0.003 0.000 0.923 56 I N 1.358 121.949 120.570 0.035 0.000 2.906 56 I HA -0.147 4.020 4.170 -0.005 0.000 0.301 56 I C 1.990 178.085 176.117 -0.037 0.000 1.221 56 I CA 0.892 62.200 61.300 0.013 0.000 1.435 56 I CB -0.515 37.528 38.000 0.071 0.000 1.345 56 I HN 0.560 nan 8.210 nan 0.000 0.558 57 R N 5.563 125.980 120.500 -0.139 0.000 2.334 57 R HA 0.182 4.519 4.340 -0.005 0.000 0.216 57 R C 0.300 176.642 176.300 0.071 0.000 0.905 57 R CA -0.100 55.916 56.100 -0.140 0.000 1.064 57 R CB -0.327 29.691 30.300 -0.471 0.000 1.046 57 R HN 0.521 nan 8.270 nan 0.000 0.508 58 L N 2.214 123.519 121.223 0.138 0.000 2.315 58 L HA 0.547 4.884 4.340 -0.005 0.000 0.283 58 L C 0.546 177.524 176.870 0.179 0.000 1.089 58 L CA -0.681 54.324 54.840 0.274 0.000 0.833 58 L CB 0.894 43.122 42.059 0.282 0.000 1.170 58 L HN 0.472 nan 8.230 nan 0.000 0.442 59 R N 2.915 123.520 120.500 0.174 0.000 2.357 59 R HA 0.398 4.735 4.340 -0.005 0.000 0.296 59 R C 0.531 176.874 176.300 0.072 0.000 1.052 59 R CA 0.161 56.322 56.100 0.102 0.000 0.988 59 R CB -0.842 29.512 30.300 0.090 0.000 1.025 59 R HN 0.843 nan 8.270 nan 0.000 0.469 60 N N 0.587 119.307 118.700 0.034 0.000 2.688 60 N HA -0.220 4.517 4.740 -0.005 0.000 0.258 60 N C -0.239 175.266 175.510 -0.009 0.000 1.016 60 N CA 1.205 54.255 53.050 0.000 0.000 0.747 60 N CB -1.194 37.293 38.487 0.000 0.000 0.895 60 N HN 0.925 nan 8.380 nan 0.000 0.543 61 R N -1.180 119.306 120.500 -0.024 0.000 2.697 61 R HA 0.097 4.434 4.340 -0.005 0.000 0.265 61 R C 0.974 177.173 176.300 -0.169 0.000 1.009 61 R CA 0.870 56.926 56.100 -0.074 0.000 1.099 61 R CB 0.189 30.381 30.300 -0.179 0.000 0.965 61 R HN 0.378 nan 8.270 nan 0.000 0.428 62 T N -1.503 112.978 114.554 -0.122 0.000 2.959 62 T HA -0.018 4.330 4.350 -0.005 0.000 0.254 62 T C 1.569 176.206 174.700 -0.105 0.000 1.003 62 T CA -0.222 61.810 62.100 -0.113 0.000 0.950 62 T CB -0.186 68.664 68.868 -0.029 0.000 1.090 62 T HN 0.832 nan 8.240 nan 0.000 0.503 63 W N 2.585 123.881 121.300 -0.006 0.000 2.325 63 W HA 0.004 4.660 4.660 -0.007 0.000 0.299 63 W C -1.784 174.734 176.519 -0.003 0.000 1.215 63 W CA 0.993 58.332 57.345 -0.010 0.000 1.244 63 W CB -2.297 27.165 29.460 0.003 0.000 1.140 63 W HN 0.313 nan 8.180 nan 0.000 0.523 64 P HA -0.089 nan 4.420 nan 0.000 0.225 64 P C 0.855 178.067 177.300 -0.148 0.000 1.148 64 P CA 1.835 64.673 63.100 -0.436 0.000 0.779 64 P CB -0.222 31.022 31.700 -0.760 0.000 0.780 65 D N -1.666 118.658 120.400 -0.127 0.000 2.369 65 D HA 0.073 4.710 4.640 -0.005 0.000 0.211 65 D C 0.633 176.920 176.300 -0.022 0.000 1.077 65 D CA 0.270 54.230 54.000 -0.068 0.000 0.842 65 D CB 0.339 41.091 40.800 -0.081 0.000 0.947 65 D HN 0.175 nan 8.370 nan 0.000 0.509 66 R N 0.868 121.375 120.500 0.012 0.000 2.474 66 R HA 0.487 4.825 4.340 -0.005 0.000 0.295 66 R C -0.466 175.852 176.300 0.030 0.000 0.980 66 R CA -0.577 55.531 56.100 0.013 0.000 0.934 66 R CB 2.532 32.837 30.300 0.009 0.000 1.101 66 R HN -0.193 nan 8.270 nan 0.000 0.469 67 V N 4.830 124.748 119.914 0.007 0.000 2.459 67 V HA 0.326 4.443 4.120 -0.005 0.000 0.295 67 V C 0.705 176.795 176.094 -0.007 0.000 1.029 67 V CA -0.815 61.496 62.300 0.019 0.000 0.874 67 V CB 1.737 33.572 31.823 0.020 0.000 0.985 67 V HN 0.617 nan 8.190 nan 0.000 0.438 68 I N 5.030 125.606 120.570 0.010 0.000 2.683 68 I HA 0.050 4.217 4.170 -0.005 0.000 0.286 68 I C 0.654 176.791 176.117 0.033 0.000 1.175 68 I CA 0.560 61.858 61.300 -0.003 0.000 1.429 68 I CB 0.510 38.587 38.000 0.128 0.000 1.371 68 I HN 0.888 nan 8.210 nan 0.000 0.569 69 D N 5.524 125.930 120.400 0.011 0.000 2.539 69 D HA 0.089 4.726 4.640 -0.005 0.000 0.232 69 D C 0.104 176.438 176.300 0.058 0.000 1.256 69 D CA -0.433 53.587 54.000 0.034 0.000 0.810 69 D CB 0.409 41.213 40.800 0.006 0.000 1.090 69 D HN 0.551 nan 8.370 nan 0.000 0.519 70 R N -0.709 119.851 120.500 0.101 0.000 2.799 70 R HA 0.819 5.156 4.340 -0.005 0.000 0.270 70 R C -1.027 175.399 176.300 0.211 0.000 1.010 70 R CA -1.129 55.048 56.100 0.127 0.000 0.916 70 R CB 1.081 31.436 30.300 0.092 0.000 1.228 70 R HN -0.085 nan 8.270 nan 0.000 0.469 71 A N 2.279 125.164 122.820 0.108 0.000 2.388 71 A HA 0.469 4.787 4.320 -0.005 0.000 0.257 71 A C -1.968 175.463 177.584 -0.255 0.000 1.095 71 A CA -1.375 50.641 52.037 -0.035 0.000 0.791 71 A CB -0.158 18.847 19.000 0.008 0.000 1.029 71 A HN 0.642 nan 8.150 nan 0.000 0.489 72 P HA 0.229 nan 4.420 nan 0.000 0.274 72 P C -0.477 176.279 177.300 -0.907 0.000 1.256 72 P CA -0.542 61.932 63.100 -1.044 0.000 0.795 72 P CB 0.491 31.151 31.700 -1.734 0.000 1.038 73 L N 1.636 122.527 121.223 -0.553 0.000 2.410 73 L HA 0.197 4.535 4.340 -0.005 0.000 0.273 73 L C -0.741 175.894 176.870 -0.392 0.000 1.144 73 L CA -0.053 54.565 54.840 -0.370 0.000 0.863 73 L CB -0.797 41.159 42.059 -0.172 0.000 1.140 73 L HN 0.268 nan 8.230 nan 0.000 0.463 74 W N 4.772 126.060 121.300 -0.019 0.000 2.449 74 W HA 0.572 5.229 4.660 -0.005 0.000 0.331 74 W C -0.284 176.267 176.519 0.052 0.000 1.119 74 W CA -0.561 56.812 57.345 0.046 0.000 1.240 74 W CB 1.364 30.972 29.460 0.246 0.000 1.251 74 W HN 0.673 nan 8.180 nan 0.000 0.576 75 C N 3.026 122.474 119.300 0.246 0.000 2.431 75 C HA 0.869 5.326 4.460 -0.005 0.000 0.321 75 C C -0.149 174.835 174.990 -0.010 0.000 1.202 75 C CA -0.571 58.509 59.018 0.103 0.000 1.398 75 C CB -0.501 27.266 27.740 0.044 0.000 2.047 75 C HN 0.761 nan 8.230 nan 0.000 0.465 76 A N 4.487 127.226 122.820 -0.135 0.000 2.260 76 A HA 0.583 4.900 4.320 -0.005 0.000 0.314 76 A C 0.478 177.993 177.584 -0.115 0.000 1.257 76 A CA -0.045 51.831 52.037 -0.268 0.000 0.871 76 A CB 0.673 19.349 19.000 -0.540 0.000 1.166 76 A HN 1.945 nan 8.150 nan 0.000 0.522 77 V N 0.109 119.973 119.914 -0.083 0.000 3.177 77 V HA 0.179 4.296 4.120 -0.005 0.000 0.342 77 V C 0.500 176.587 176.094 -0.011 0.000 1.379 77 V CA 0.500 62.796 62.300 -0.006 0.000 1.191 77 V CB -0.784 31.070 31.823 0.052 0.000 1.167 77 V HN 0.666 nan 8.190 nan 0.000 0.471 78 D N 1.737 122.107 120.400 -0.051 0.000 2.158 78 D HA -0.157 4.480 4.640 -0.005 0.000 0.197 78 D C 1.777 178.070 176.300 -0.010 0.000 0.995 78 D CA 1.823 55.800 54.000 -0.038 0.000 0.846 78 D CB -0.251 40.511 40.800 -0.063 0.000 0.941 78 D HN 0.504 nan 8.370 nan 0.000 0.456 79 L N -0.355 120.873 121.223 0.009 0.000 2.610 79 L HA 0.059 4.396 4.340 -0.005 0.000 0.232 79 L C 2.216 179.101 176.870 0.026 0.000 1.149 79 L CA 0.253 55.094 54.840 0.002 0.000 0.872 79 L CB 0.036 42.122 42.059 0.045 0.000 0.992 79 L HN 0.003 nan 8.230 nan 0.000 0.447 80 R N -0.515 120.016 120.500 0.051 0.000 2.580 80 R HA 0.005 4.342 4.340 -0.005 0.000 0.169 80 R C 1.448 177.796 176.300 0.079 0.000 1.399 80 R CA 0.513 56.661 56.100 0.079 0.000 1.206 80 R CB -0.527 29.824 30.300 0.085 0.000 1.215 80 R HN -0.015 nan 8.270 nan 0.000 0.486 81 D N 0.176 120.625 120.400 0.080 0.000 2.123 81 D HA -0.080 4.557 4.640 -0.005 0.000 0.196 81 D C 1.547 177.894 176.300 0.080 0.000 0.992 81 D CA 1.663 55.726 54.000 0.105 0.000 0.833 81 D CB -0.238 40.652 40.800 0.149 0.000 0.954 81 D HN 0.497 nan 8.370 nan 0.000 0.455 82 G N 0.296 109.122 108.800 0.044 0.000 2.414 82 G HA2 -0.313 3.644 3.960 -0.005 0.000 0.215 82 G HA3 -0.313 3.644 3.960 -0.005 0.000 0.215 82 G C 1.695 176.607 174.900 0.021 0.000 1.188 82 G CA 0.890 46.005 45.100 0.026 0.000 0.783 82 G HN 0.269 nan 8.290 nan 0.000 0.537 83 N N 0.327 119.035 118.700 0.012 0.000 2.061 83 N HA -0.160 4.577 4.740 -0.005 0.000 0.193 83 N C 2.174 177.694 175.510 0.017 0.000 1.030 83 N CA 1.801 54.850 53.050 -0.002 0.000 0.856 83 N CB -0.320 38.155 38.487 -0.020 0.000 1.023 83 N HN 0.324 nan 8.380 nan 0.000 0.424 84 Q N -0.486 119.342 119.800 0.046 0.000 2.436 84 Q HA 0.176 4.513 4.340 -0.005 0.000 0.209 84 Q C 1.167 177.195 176.000 0.047 0.000 0.965 84 Q CA 1.235 57.074 55.803 0.060 0.000 0.910 84 Q CB -0.308 28.493 28.738 0.104 0.000 0.980 84 Q HN 0.424 nan 8.270 nan 0.000 0.491 85 A N -0.507 122.338 122.820 0.042 0.000 2.275 85 A HA 0.269 4.586 4.320 -0.005 0.000 0.212 85 A C 0.093 177.689 177.584 0.020 0.000 1.201 85 A CA -0.228 51.831 52.037 0.035 0.000 0.843 85 A CB -0.002 19.027 19.000 0.048 0.000 0.873 85 A HN 0.319 nan 8.150 nan 0.000 0.492 86 L N -0.503 120.726 121.223 0.011 0.000 2.334 86 L HA 0.285 4.623 4.340 -0.005 0.000 0.277 86 L C 1.486 178.353 176.870 -0.004 0.000 1.075 86 L CA -0.644 54.195 54.840 -0.002 0.000 0.804 86 L CB 1.089 43.139 42.059 -0.016 0.000 1.174 86 L HN 0.250 nan 8.230 nan 0.000 0.438 87 I N 0.494 121.060 120.570 -0.007 0.000 2.439 87 I HA -0.097 4.070 4.170 -0.005 0.000 0.251 87 I C 0.486 176.594 176.117 -0.014 0.000 1.139 87 I CA 1.248 62.544 61.300 -0.007 0.000 1.438 87 I CB -0.130 37.867 38.000 -0.006 0.000 1.085 87 I HN 0.511 nan 8.210 nan 0.000 0.427 88 D N 3.648 124.034 120.400 -0.023 0.000 2.477 88 D HA 0.295 4.932 4.640 -0.005 0.000 0.239 88 D C -2.141 174.131 176.300 -0.046 0.000 1.102 88 D CA -1.219 52.760 54.000 -0.034 0.000 0.901 88 D CB 0.566 41.339 40.800 -0.045 0.000 1.026 88 D HN 0.230 nan 8.370 nan 0.000 0.515 92 P HA -0.052 nan 4.420 nan 0.000 0.217 92 P C 1.562 178.895 177.300 0.055 0.000 1.148 92 P CA 2.238 65.357 63.100 0.031 0.000 0.834 92 P CB -0.190 31.560 31.700 0.083 0.000 0.783 93 A N -0.494 122.360 122.820 0.057 0.000 1.929 93 A HA -0.145 4.172 4.320 -0.005 0.000 0.216 93 A C 2.259 179.905 177.584 0.103 0.000 1.176 93 A CA 1.185 53.279 52.037 0.096 0.000 0.628 93 A CB -0.817 18.251 19.000 0.114 0.000 0.816 93 A HN 0.061 nan 8.150 nan 0.000 0.444 94 R N -0.106 120.412 120.500 0.029 0.000 2.092 94 R HA -0.058 4.279 4.340 -0.005 0.000 0.231 94 R C 2.143 178.431 176.300 -0.021 0.000 1.119 94 R CA 1.417 57.510 56.100 -0.012 0.000 0.970 94 R CB -0.219 29.972 30.300 -0.182 0.000 0.864 94 R HN 0.469 nan 8.270 nan 0.000 0.440 95 K N 0.182 120.514 120.400 -0.115 0.000 2.032 95 K HA -0.186 4.131 4.320 -0.005 0.000 0.209 95 K C 2.626 179.222 176.600 -0.006 0.000 1.048 95 K CA 1.946 58.068 56.287 -0.275 0.000 0.927 95 K CB -0.268 31.750 32.500 -0.804 0.000 0.712 95 K HN 0.183 nan 8.250 nan 0.000 0.441 96 R N 1.922 122.526 120.500 0.173 0.000 2.096 96 R HA -0.074 4.263 4.340 -0.005 0.000 0.235 96 R C 1.703 178.167 176.300 0.272 0.000 1.127 96 R CA 1.391 57.685 56.100 0.324 0.000 0.968 96 R CB -0.830 29.620 30.300 0.250 0.000 0.861 96 R HN 0.056 nan 8.270 nan 0.000 0.440 100 D N 1.593 122.086 120.400 0.155 0.000 2.144 100 D HA -0.088 4.549 4.640 -0.005 0.000 0.200 100 D C 2.125 178.401 176.300 -0.039 0.000 0.978 100 D CA 1.662 55.685 54.000 0.038 0.000 0.833 100 D CB -0.343 40.520 40.800 0.105 0.000 0.961 100 D HN 0.337 nan 8.370 nan 0.000 0.470 101 L N 0.716 121.937 121.223 -0.003 0.000 2.017 101 L HA -0.127 4.210 4.340 -0.005 0.000 0.208 101 L C 2.161 179.004 176.870 -0.047 0.000 1.073 101 L CA 1.426 56.256 54.840 -0.017 0.000 0.745 101 L CB -0.554 41.515 42.059 0.017 0.000 0.894 101 L HN -0.019 nan 8.230 nan 0.000 0.432 102 L N -1.784 119.396 121.223 -0.071 0.000 2.046 102 L HA -0.195 4.142 4.340 -0.005 0.000 0.208 102 L C 2.434 179.277 176.870 -0.043 0.000 1.077 102 L CA 0.985 55.809 54.840 -0.026 0.000 0.747 102 L CB -0.724 41.255 42.059 -0.135 0.000 0.896 102 L HN 0.122 nan 8.230 nan 0.000 0.432 103 V N -0.566 119.212 119.914 -0.227 0.000 2.295 103 V HA -0.219 3.899 4.120 -0.005 0.000 0.246 103 V C 1.855 177.860 176.094 -0.150 0.000 1.049 103 V CA 1.331 63.494 62.300 -0.229 0.000 1.024 103 V CB -0.527 31.109 31.823 -0.313 0.000 0.648 103 V HN 0.354 nan 8.190 nan 0.000 0.447 107 Y N 1.449 121.657 120.300 -0.152 0.000 2.359 107 Y HA 0.412 4.959 4.550 -0.005 0.000 0.330 107 Y C 1.423 177.274 175.900 -0.082 0.000 1.143 107 Y CA -0.010 58.033 58.100 -0.093 0.000 1.318 107 Y CB 1.253 39.639 38.460 -0.122 0.000 1.234 107 Y HN -0.176 nan 8.280 nan 0.000 0.522 108 K N 1.530 121.997 120.400 0.112 0.000 2.373 108 K HA 0.189 4.506 4.320 -0.005 0.000 0.200 108 K C -0.510 176.120 176.600 0.051 0.000 1.054 108 K CA 0.289 56.602 56.287 0.044 0.000 1.065 108 K CB 0.730 33.242 32.500 0.020 0.000 0.886 108 K HN 0.728 nan 8.250 nan 0.000 0.546 109 E N 0.822 121.076 120.200 0.090 0.000 2.246 109 E HA 0.471 4.819 4.350 -0.005 0.000 0.266 109 E C -0.874 175.764 176.600 0.064 0.000 0.880 109 E CA -0.362 56.076 56.400 0.063 0.000 0.762 109 E CB 2.387 32.115 29.700 0.046 0.000 1.180 109 E HN -0.059 nan 8.360 nan 0.000 0.416 110 I N 2.194 122.805 120.570 0.069 0.000 2.534 110 I HA 0.162 4.329 4.170 -0.005 0.000 0.286 110 I C -0.551 175.643 176.117 0.128 0.000 1.094 110 I CA -0.547 60.801 61.300 0.080 0.000 1.055 110 I CB 2.141 40.203 38.000 0.103 0.000 1.225 110 I HN 0.473 nan 8.210 nan 0.000 0.435 111 E N 5.248 125.508 120.200 0.100 0.000 2.180 111 E HA 0.208 4.556 4.350 -0.005 0.000 0.283 111 E C 0.628 177.320 176.600 0.152 0.000 1.061 111 E CA -0.305 56.165 56.400 0.117 0.000 0.861 111 E CB 1.172 30.934 29.700 0.103 0.000 1.056 111 E HN 0.585 nan 8.360 nan 0.000 0.407 112 V N 1.486 121.510 119.914 0.184 0.000 3.621 112 V HA 0.554 4.671 4.120 -0.005 0.000 0.285 112 V C 0.642 176.877 176.094 0.235 0.000 1.346 112 V CA 0.552 63.008 62.300 0.261 0.000 1.104 112 V CB -0.141 31.859 31.823 0.294 0.000 0.913 112 V HN 0.656 nan 8.190 nan 0.000 0.432 113 G N -0.488 108.421 108.800 0.182 0.000 2.327 113 G HA2 0.310 4.267 3.960 -0.005 0.000 0.291 113 G HA3 0.310 4.267 3.960 -0.005 0.000 0.291 113 G C -1.440 173.610 174.900 0.251 0.000 1.290 113 G CA -0.328 44.892 45.100 0.200 0.000 0.857 113 G HN 0.202 nan 8.290 nan 0.000 0.520 114 F N 2.623 122.634 119.950 0.103 0.000 2.542 114 F HA 0.374 4.898 4.527 -0.005 0.000 0.323 114 F C -1.379 174.502 175.800 0.134 0.000 1.411 114 F CA -2.336 55.731 58.000 0.112 0.000 1.124 114 F CB 1.859 40.920 39.000 0.102 0.000 1.331 114 F HN 0.256 nan 8.300 nan 0.000 0.560 115 P HA -0.163 nan 4.420 nan 0.000 0.222 115 P C 1.413 178.900 177.300 0.312 0.000 1.147 115 P CA 1.255 64.530 63.100 0.292 0.000 0.790 115 P CB 0.099 31.911 31.700 0.186 0.000 0.780 116 S N -0.935 114.921 115.700 0.261 0.000 2.496 116 S HA 0.203 4.671 4.470 -0.005 0.000 0.224 116 S C 1.946 176.530 174.600 -0.027 0.000 0.996 116 S CA 0.535 58.838 58.200 0.172 0.000 0.927 116 S CB -0.699 62.631 63.200 0.217 0.000 0.774 116 S HN 0.117 nan 8.310 nan 0.000 0.524 117 A N 0.538 123.211 122.820 -0.246 0.000 2.169 117 A HA 0.548 4.865 4.320 -0.005 0.000 0.210 117 A C 1.018 178.466 177.584 -0.228 0.000 1.168 117 A CA 0.367 52.140 52.037 -0.440 0.000 0.813 117 A CB 0.115 18.388 19.000 -1.211 0.000 0.861 117 A HN 0.520 nan 8.150 nan 0.000 0.481 118 S N -0.987 114.658 115.700 -0.091 0.000 2.736 118 S HA 0.376 4.844 4.470 -0.005 0.000 0.285 118 S C 0.237 174.883 174.600 0.076 0.000 1.163 118 S CA -0.413 57.780 58.200 -0.012 0.000 1.025 118 S CB 1.556 64.763 63.200 0.011 0.000 1.030 118 S HN 0.202 nan 8.310 nan 0.000 0.486 119 Q N 3.169 122.996 119.800 0.046 0.000 2.170 119 Q HA -0.076 4.261 4.340 -0.005 0.000 0.203 119 Q C 1.906 177.991 176.000 0.141 0.000 0.976 119 Q CA 2.892 58.739 55.803 0.073 0.000 0.858 119 Q CB -0.613 28.124 28.738 -0.002 0.000 0.907 119 Q HN 0.938 nan 8.270 nan 0.000 0.433 120 T N -2.102 112.513 114.554 0.102 0.000 2.788 120 T HA -0.127 4.220 4.350 -0.005 0.000 0.268 120 T C 1.224 176.019 174.700 0.160 0.000 1.044 120 T CA 1.370 63.536 62.100 0.110 0.000 1.139 120 T CB -0.347 68.555 68.868 0.057 0.000 0.867 120 T HN 0.173 nan 8.240 nan 0.000 0.454 121 D N 0.349 120.849 120.400 0.167 0.000 2.123 121 D HA 0.082 4.719 4.640 -0.005 0.000 0.200 121 D C 1.543 177.990 176.300 0.246 0.000 0.976 121 D CA 0.409 54.533 54.000 0.207 0.000 0.831 121 D CB -0.550 40.367 40.800 0.195 0.000 0.974 121 D HN 0.425 nan 8.370 nan 0.000 0.469 122 F N 1.645 121.657 119.950 0.104 0.000 2.069 122 F HA -0.223 4.301 4.527 -0.005 0.000 0.298 122 F C 1.800 177.643 175.800 0.072 0.000 1.113 122 F CA 1.467 59.516 58.000 0.081 0.000 1.214 122 F CB 0.115 39.150 39.000 0.059 0.000 0.978 122 F HN -0.168 nan 8.300 nan 0.000 0.474 123 D N -0.038 120.590 120.400 0.380 0.000 2.123 123 D HA -0.234 4.403 4.640 -0.005 0.000 0.196 123 D C 2.004 178.388 176.300 0.139 0.000 0.992 123 D CA 1.423 55.572 54.000 0.249 0.000 0.833 123 D CB -0.826 40.096 40.800 0.203 0.000 0.954 123 D HN 0.356 nan 8.370 nan 0.000 0.455 124 F N 1.449 121.405 119.950 0.010 0.000 2.134 124 F HA -0.195 4.329 4.527 -0.005 0.000 0.299 124 F C 2.145 177.871 175.800 -0.123 0.000 1.097 124 F CA 0.892 58.859 58.000 -0.054 0.000 1.264 124 F CB -0.240 38.734 39.000 -0.043 0.000 1.001 124 F HN -0.215 nan 8.300 nan 0.000 0.479 125 V N 1.072 120.880 119.914 -0.177 0.000 2.261 125 V HA -0.302 3.816 4.120 -0.005 0.000 0.246 125 V C 2.639 178.516 176.094 -0.361 0.000 1.047 125 V CA 1.971 64.075 62.300 -0.326 0.000 1.015 125 V CB -0.716 30.953 31.823 -0.256 0.000 0.642 125 V HN 0.214 nan 8.190 nan 0.000 0.446 126 R N 0.296 120.615 120.500 -0.301 0.000 2.113 126 R HA -0.237 4.100 4.340 -0.005 0.000 0.244 126 R C 2.246 178.429 176.300 -0.195 0.000 1.142 126 R CA 2.108 58.081 56.100 -0.212 0.000 0.953 126 R CB -0.954 29.291 30.300 -0.090 0.000 0.860 126 R HN 0.816 nan 8.270 nan 0.000 0.438 127 E N 1.127 121.195 120.200 -0.221 0.000 2.031 127 E HA -0.163 4.184 4.350 -0.005 0.000 0.193 127 E C 2.038 178.451 176.600 -0.312 0.000 0.994 127 E CA 1.628 57.898 56.400 -0.216 0.000 0.800 127 E CB -0.213 29.388 29.700 -0.164 0.000 0.752 127 E HN 0.490 nan 8.360 nan 0.000 0.447 128 I N -1.389 118.857 120.570 -0.540 0.000 2.614 128 I HA -0.108 4.059 4.170 -0.005 0.000 0.258 128 I C 2.171 178.092 176.117 -0.327 0.000 1.189 128 I CA 0.877 61.856 61.300 -0.535 0.000 1.462 128 I CB -0.277 37.166 38.000 -0.928 0.000 1.092 128 I HN 0.091 nan 8.210 nan 0.000 0.442 129 I N 1.342 121.742 120.570 -0.284 0.000 2.277 129 I HA -0.137 4.030 4.170 -0.005 0.000 0.243 129 I C 2.559 178.597 176.117 -0.131 0.000 1.094 129 I CA 1.287 62.474 61.300 -0.188 0.000 1.393 129 I CB -0.239 37.652 38.000 -0.181 0.000 1.078 129 I HN 0.178 nan 8.210 nan 0.000 0.417 130 E N 0.467 120.593 120.200 -0.123 0.000 2.107 130 E HA -0.221 4.126 4.350 -0.005 0.000 0.191 130 E C 2.413 178.973 176.600 -0.066 0.000 0.982 130 E CA 1.274 57.629 56.400 -0.075 0.000 0.809 130 E CB -0.122 29.545 29.700 -0.055 0.000 0.756 130 E HN 0.535 nan 8.360 nan 0.000 0.459 131 Q N 0.320 120.070 119.800 -0.084 0.000 2.436 131 Q HA 0.061 4.398 4.340 -0.005 0.000 0.209 131 Q C 1.522 177.490 176.000 -0.053 0.000 0.965 131 Q CA 1.026 56.792 55.803 -0.063 0.000 0.910 131 Q CB -0.613 28.083 28.738 -0.069 0.000 0.980 131 Q HN 0.439 nan 8.270 nan 0.000 0.491 132 G N -1.266 107.495 108.800 -0.066 0.000 2.246 132 G HA2 0.034 3.991 3.960 -0.005 0.000 0.273 132 G HA3 0.034 3.991 3.960 -0.005 0.000 0.273 132 G C 0.823 175.705 174.900 -0.029 0.000 1.055 132 G CA 0.661 45.733 45.100 -0.047 0.000 0.851 132 G HN 1.602 nan 8.290 nan 0.000 0.500 133 A N -0.860 121.933 122.820 -0.044 0.000 2.251 133 A HA 0.605 4.922 4.320 -0.005 0.000 0.209 133 A C 1.051 178.705 177.584 0.117 0.000 1.187 133 A CA 0.464 52.510 52.037 0.014 0.000 0.823 133 A CB 0.109 19.080 19.000 -0.049 0.000 0.846 133 A HN 0.752 nan 8.150 nan 0.000 0.486 134 I N 1.919 122.527 120.570 0.063 0.000 2.297 134 I HA 0.256 4.423 4.170 -0.005 0.000 0.291 134 I C -2.265 173.885 176.117 0.056 0.000 1.033 134 I CA -2.077 59.294 61.300 0.118 0.000 1.253 134 I CB 1.187 39.222 38.000 0.058 0.000 1.396 134 I HN 0.028 nan 8.210 nan 0.000 0.476 135 P HA 0.056 nan 4.420 nan 0.000 0.270 135 P C 0.178 177.474 177.300 -0.007 0.000 1.223 135 P CA -0.224 62.880 63.100 0.007 0.000 0.785 135 P CB 0.702 32.395 31.700 -0.011 0.000 0.923 136 D N 0.348 120.737 120.400 -0.018 0.000 2.218 136 D HA -0.145 4.492 4.640 -0.005 0.000 0.204 136 D C 0.864 177.145 176.300 -0.030 0.000 0.976 136 D CA 1.335 55.319 54.000 -0.027 0.000 0.853 136 D CB -0.250 40.534 40.800 -0.027 0.000 0.939 136 D HN 0.538 nan 8.370 nan 0.000 0.481 137 D N -0.456 119.927 120.400 -0.029 0.000 2.368 137 D HA 0.006 4.643 4.640 -0.005 0.000 0.218 137 D C 0.045 176.329 176.300 -0.026 0.000 1.112 137 D CA -0.178 53.803 54.000 -0.030 0.000 0.834 137 D CB 0.051 40.831 40.800 -0.033 0.000 0.953 137 D HN -0.101 nan 8.370 nan 0.000 0.505 138 V N 0.916 120.819 119.914 -0.020 0.000 2.459 138 V HA 0.477 4.594 4.120 -0.005 0.000 0.295 138 V C 0.125 176.219 176.094 -0.000 0.000 1.029 138 V CA -0.664 61.632 62.300 -0.006 0.000 0.874 138 V CB 1.696 33.517 31.823 -0.002 0.000 0.985 138 V HN 0.323 nan 8.190 nan 0.000 0.438 139 T N 4.949 119.504 114.554 0.001 0.000 2.786 139 T HA 0.639 4.986 4.350 -0.005 0.000 0.283 139 T C -0.247 174.468 174.700 0.025 0.000 0.992 139 T CA -0.609 61.484 62.100 -0.012 0.000 0.954 139 T CB 0.679 69.516 68.868 -0.050 0.000 0.934 139 T HN 0.606 nan 8.240 nan 0.000 0.440 140 I N 1.955 122.544 120.570 0.031 0.000 2.882 140 I HA 0.525 4.693 4.170 -0.005 0.000 0.286 140 I C -0.092 176.042 176.117 0.028 0.000 1.139 140 I CA -0.653 60.686 61.300 0.065 0.000 1.379 140 I CB 0.634 38.658 38.000 0.039 0.000 1.410 140 I HN 0.807 nan 8.210 nan 0.000 0.594 141 Q N 4.069 123.907 119.800 0.063 0.000 2.289 141 Q HA 0.668 5.006 4.340 -0.005 0.000 0.270 141 Q C -1.747 174.307 176.000 0.089 0.000 1.038 141 Q CA -0.893 54.949 55.803 0.066 0.000 0.812 141 Q CB 2.515 31.295 28.738 0.070 0.000 1.300 141 Q HN 0.793 nan 8.270 nan 0.000 0.427 142 V N 1.306 121.276 119.914 0.093 0.000 2.735 142 V HA 0.708 4.825 4.120 -0.005 0.000 0.310 142 V C -1.124 175.037 176.094 0.112 0.000 1.061 142 V CA -1.068 61.293 62.300 0.101 0.000 0.913 142 V CB 1.583 33.449 31.823 0.071 0.000 1.005 142 V HN 0.776 nan 8.190 nan 0.000 0.428 143 L N 2.950 124.205 121.223 0.054 0.000 2.309 143 L HA 0.915 5.252 4.340 -0.005 0.000 0.282 143 L C 0.047 176.895 176.870 -0.036 0.000 1.036 143 L CA 0.611 55.368 54.840 -0.138 0.000 0.806 143 L CB 1.785 43.569 42.059 -0.458 0.000 1.220 143 L HN 1.154 nan 8.230 nan 0.000 0.429 144 T N 3.027 117.604 114.554 0.038 0.000 2.923 144 T HA 0.413 4.760 4.350 -0.005 0.000 0.311 144 T C -0.753 174.049 174.700 0.170 0.000 1.183 144 T CA -0.546 61.707 62.100 0.256 0.000 1.020 144 T CB 1.166 70.211 68.868 0.295 0.000 1.165 144 T HN 0.741 nan 8.240 nan 0.000 0.482 145 Q N 1.053 120.972 119.800 0.197 0.000 2.316 145 Q HA 0.302 4.639 4.340 -0.005 0.000 0.215 145 Q C 0.708 176.729 176.000 0.034 0.000 1.020 145 Q CA -0.657 55.088 55.803 -0.096 0.000 0.970 145 Q CB 0.715 29.463 28.738 0.016 0.000 1.187 145 Q HN 0.786 nan 8.270 nan 0.000 0.546 146 C N 0.276 119.574 119.300 -0.002 0.000 2.594 146 C HA 0.103 4.561 4.460 -0.005 0.000 0.265 146 C C 0.773 175.779 174.990 0.028 0.000 1.351 146 C CA -0.184 58.861 59.018 0.046 0.000 1.744 146 C CB -0.525 27.250 27.740 0.059 0.000 1.890 146 C HN 0.552 nan 8.230 nan 0.000 0.551 147 R N 1.876 122.402 120.500 0.043 0.000 2.640 147 R HA 0.024 4.361 4.340 -0.005 0.000 0.270 147 R C -1.229 175.091 176.300 0.033 0.000 1.024 147 R CA -0.271 55.853 56.100 0.041 0.000 1.085 147 R CB 0.228 30.561 30.300 0.056 0.000 0.963 147 R HN 0.267 nan 8.270 nan 0.000 0.426 148 P HA -0.212 nan 4.420 nan 0.000 0.216 148 P C 0.917 178.230 177.300 0.022 0.000 1.153 148 P CA 1.353 64.452 63.100 -0.002 0.000 0.848 148 P CB 0.022 31.712 31.700 -0.017 0.000 0.787 149 E N 0.860 121.079 120.200 0.032 0.000 2.209 149 E HA -0.152 4.195 4.350 -0.005 0.000 0.196 149 E C 2.045 178.691 176.600 0.077 0.000 0.993 149 E CA 1.070 57.498 56.400 0.046 0.000 0.819 149 E CB -1.172 28.549 29.700 0.035 0.000 0.745 149 E HN 0.299 nan 8.360 nan 0.000 0.477 150 L N 0.299 121.575 121.223 0.089 0.000 2.131 150 L HA 0.020 4.358 4.340 -0.005 0.000 0.206 150 L C 2.795 179.766 176.870 0.170 0.000 1.087 150 L CA 0.559 55.478 54.840 0.132 0.000 0.767 150 L CB -0.293 41.852 42.059 0.144 0.000 0.917 150 L HN 0.027 nan 8.230 nan 0.000 0.441 151 I N -0.003 120.654 120.570 0.144 0.000 2.226 151 I HA -0.275 3.892 4.170 -0.005 0.000 0.245 151 I C 2.399 178.660 176.117 0.239 0.000 1.100 151 I CA 1.366 62.780 61.300 0.190 0.000 1.374 151 I CB -0.279 37.781 38.000 0.099 0.000 1.057 151 I HN 0.302 nan 8.210 nan 0.000 0.413 152 E N 0.539 120.824 120.200 0.142 0.000 2.058 152 E HA -0.267 4.080 4.350 -0.005 0.000 0.194 152 E C 2.338 179.073 176.600 0.225 0.000 0.997 152 E CA 1.162 57.651 56.400 0.149 0.000 0.801 152 E CB -0.136 29.622 29.700 0.098 0.000 0.746 152 E HN 0.322 nan 8.360 nan 0.000 0.450 153 R N 0.135 120.763 120.500 0.213 0.000 2.115 153 R HA -0.097 4.240 4.340 -0.005 0.000 0.230 153 R C 2.124 178.609 176.300 0.308 0.000 1.111 153 R CA 1.469 57.730 56.100 0.267 0.000 0.976 153 R CB -0.021 30.409 30.300 0.218 0.000 0.870 153 R HN 0.139 nan 8.270 nan 0.000 0.445 154 T N 0.189 114.894 114.554 0.253 0.000 2.737 154 T HA -0.100 4.247 4.350 -0.005 0.000 0.265 154 T C 1.347 176.080 174.700 0.056 0.000 1.038 154 T CA 1.299 63.503 62.100 0.173 0.000 1.144 154 T CB -0.273 68.706 68.868 0.184 0.000 0.866 154 T HN 0.129 nan 8.240 nan 0.000 0.434 155 F N 1.671 121.575 119.950 -0.076 0.000 2.171 155 F HA -0.079 4.445 4.527 -0.005 0.000 0.300 155 F C 2.716 178.313 175.800 -0.338 0.000 1.090 155 F CA 1.066 58.877 58.000 -0.315 0.000 1.293 155 F CB -0.523 38.141 39.000 -0.559 0.000 1.013 155 F HN 0.157 nan 8.300 nan 0.000 0.486 156 Q N -0.299 119.552 119.800 0.085 0.000 2.135 156 Q HA -0.202 4.135 4.340 -0.005 0.000 0.204 156 Q C 2.461 178.481 176.000 0.034 0.000 0.981 156 Q CA 1.615 57.521 55.803 0.172 0.000 0.856 156 Q CB -0.445 28.506 28.738 0.356 0.000 0.902 156 Q HN 0.446 nan 8.270 nan 0.000 0.425 157 A N -0.279 122.469 122.820 -0.119 0.000 1.930 157 A HA -0.154 4.164 4.320 -0.005 0.000 0.217 157 A C 1.977 179.373 177.584 -0.313 0.000 1.175 157 A CA 1.105 52.806 52.037 -0.560 0.000 0.627 157 A CB -0.479 18.140 19.000 -0.636 0.000 0.815 157 A HN 0.508 nan 8.150 nan 0.000 0.443 158 C N 0.107 119.317 119.300 -0.150 0.000 2.626 158 C HA 0.265 4.722 4.460 -0.005 0.000 0.266 158 C C 1.479 176.441 174.990 -0.046 0.000 1.317 158 C CA -0.497 58.464 59.018 -0.094 0.000 1.716 158 C CB -1.916 25.828 27.740 0.007 0.000 1.819 158 C HN 0.491 nan 8.230 nan 0.000 0.578 159 S N 0.440 116.134 115.700 -0.010 0.000 2.626 159 S HA 0.330 4.797 4.470 -0.005 0.000 0.303 159 S C 1.397 176.024 174.600 0.044 0.000 1.256 159 S CA 1.520 59.783 58.200 0.105 0.000 1.069 159 S CB -0.128 63.189 63.200 0.195 0.000 0.807 159 S HN 1.060 nan 8.310 nan 0.000 0.500 160 G N 2.780 111.612 108.800 0.053 0.000 2.176 160 G HA2 -0.173 3.784 3.960 -0.005 0.000 0.253 160 G HA3 -0.173 3.784 3.960 -0.005 0.000 0.253 160 G C 0.244 175.087 174.900 -0.096 0.000 0.979 160 G CA 0.096 45.190 45.100 -0.010 0.000 0.641 160 G HN 1.400 nan 8.290 nan 0.000 0.530 161 A N 0.992 123.710 122.820 -0.170 0.000 2.511 161 A HA 0.613 4.930 4.320 -0.005 0.000 0.242 161 A C 0.106 177.529 177.584 -0.268 0.000 1.069 161 A CA -0.041 51.856 52.037 -0.233 0.000 0.763 161 A CB 0.571 19.387 19.000 -0.307 0.000 1.001 161 A HN 0.171 nan 8.150 nan 0.000 0.498 162 P HA -0.051 nan 4.420 nan 0.000 0.219 162 P C 0.144 177.284 177.300 -0.267 0.000 1.150 162 P CA 1.152 64.136 63.100 -0.193 0.000 0.814 162 P CB 0.095 31.719 31.700 -0.126 0.000 0.787 163 R N -1.372 118.950 120.500 -0.297 0.000 2.664 163 R HA 0.787 5.124 4.340 -0.005 0.000 0.266 163 R C -2.036 174.066 176.300 -0.331 0.000 1.046 163 R CA -1.027 54.869 56.100 -0.340 0.000 0.885 163 R CB 1.161 31.337 30.300 -0.208 0.000 1.254 163 R HN -0.094 nan 8.270 nan 0.000 0.465 164 A N 2.363 124.973 122.820 -0.350 0.000 2.566 164 A HA 0.557 4.874 4.320 -0.005 0.000 0.297 164 A C -1.267 176.235 177.584 -0.137 0.000 1.059 164 A CA -0.876 51.026 52.037 -0.225 0.000 0.691 164 A CB 1.432 20.277 19.000 -0.259 0.000 1.282 164 A HN 0.635 nan 8.150 nan 0.000 0.401 165 I N 1.839 122.365 120.570 -0.073 0.000 2.325 165 I HA 0.344 4.511 4.170 -0.005 0.000 0.291 165 I C -0.425 175.706 176.117 0.023 0.000 1.019 165 I CA -0.623 60.648 61.300 -0.047 0.000 1.302 165 I CB 1.628 39.617 38.000 -0.019 0.000 1.401 165 I HN 0.323 nan 8.210 nan 0.000 0.485 166 V N 6.630 126.567 119.914 0.038 0.000 2.364 166 V HA 0.141 4.258 4.120 -0.005 0.000 0.272 166 V C 0.057 176.413 176.094 0.436 0.000 1.036 166 V CA -0.460 61.953 62.300 0.188 0.000 0.880 166 V CB 0.757 32.659 31.823 0.132 0.000 0.991 166 V HN 0.652 nan 8.190 nan 0.000 0.460 167 H N 6.616 125.825 119.070 0.233 0.000 2.623 167 H HA 0.511 5.064 4.556 -0.005 0.000 0.299 167 H C -0.899 174.596 175.328 0.278 0.000 1.052 167 H CA -0.882 55.270 56.048 0.174 0.000 1.231 167 H CB 0.639 30.424 29.762 0.038 0.000 1.389 167 H HN 0.620 nan 8.280 nan 0.000 0.469 168 F N 4.572 124.755 119.950 0.390 0.000 2.492 168 F HA 0.525 5.049 4.527 -0.004 0.000 0.327 168 F C -1.532 174.466 175.800 0.329 0.000 1.079 168 F CA -1.146 57.014 58.000 0.268 0.000 0.967 168 F CB 0.855 40.005 39.000 0.251 0.000 1.169 168 F HN 0.406 nan 8.300 nan 0.000 0.472 169 Y N 0.760 121.128 120.300 0.113 0.000 2.609 169 Y HA 0.704 5.250 4.550 -0.005 0.000 0.336 169 Y C -1.953 174.023 175.900 0.126 0.000 1.129 169 Y CA -1.571 56.507 58.100 -0.037 0.000 1.040 169 Y CB 1.475 39.794 38.460 -0.236 0.000 1.310 169 Y HN 0.948 nan 8.280 nan 0.000 0.460 170 N N 0.066 118.829 118.700 0.106 0.000 2.484 170 N HA 0.433 5.170 4.740 -0.005 0.000 0.269 170 N C -1.912 173.690 175.510 0.154 0.000 1.237 170 N CA -1.067 52.007 53.050 0.039 0.000 0.838 170 N CB 2.213 40.697 38.487 -0.004 0.000 1.593 170 N HN 0.736 nan 8.380 nan 0.000 0.485 171 S N -0.200 115.591 115.700 0.151 0.000 2.505 171 S HA 0.200 4.667 4.470 -0.005 0.000 0.276 171 S C 0.716 175.390 174.600 0.124 0.000 1.274 171 S CA 0.090 58.416 58.200 0.211 0.000 1.053 171 S CB 0.014 63.441 63.200 0.377 0.000 0.919 171 S HN 0.672 nan 8.310 nan 0.000 0.490 172 T N 0.751 115.410 114.554 0.175 0.000 3.044 172 T HA 0.218 4.565 4.350 -0.005 0.000 0.260 172 T C 0.715 175.555 174.700 0.234 0.000 1.019 172 T CA 0.042 62.275 62.100 0.221 0.000 0.921 172 T CB -0.286 68.714 68.868 0.221 0.000 1.053 172 T HN 0.632 nan 8.240 nan 0.000 0.533 173 S N 0.966 116.775 115.700 0.183 0.000 2.579 173 S HA 0.368 4.835 4.470 -0.005 0.000 0.275 173 S C 1.410 176.071 174.600 0.101 0.000 1.345 173 S CA -0.794 57.487 58.200 0.135 0.000 1.031 173 S CB 0.289 63.562 63.200 0.122 0.000 0.892 173 S HN 0.264 nan 8.310 nan 0.000 0.529 174 I N 0.969 121.567 120.570 0.045 0.000 2.145 174 I HA -0.226 3.941 4.170 -0.005 0.000 0.244 174 I C 2.417 178.550 176.117 0.027 0.000 1.075 174 I CA 1.435 62.737 61.300 0.004 0.000 1.332 174 I CB -0.559 37.418 38.000 -0.038 0.000 1.033 174 I HN 0.622 nan 8.210 nan 0.000 0.410 175 L N 0.471 121.718 121.223 0.040 0.000 1.994 175 L HA -0.239 4.098 4.340 -0.005 0.000 0.208 175 L C 2.562 179.484 176.870 0.086 0.000 1.071 175 L CA 1.901 56.770 54.840 0.049 0.000 0.745 175 L CB -0.811 41.276 42.059 0.047 0.000 0.892 175 L HN 0.241 nan 8.230 nan 0.000 0.431 176 Q N -0.723 119.159 119.800 0.135 0.000 2.119 176 Q HA -0.185 4.152 4.340 -0.005 0.000 0.201 176 Q C 2.282 178.462 176.000 0.299 0.000 0.972 176 Q CA 1.404 57.338 55.803 0.218 0.000 0.847 176 Q CB -0.174 28.750 28.738 0.310 0.000 0.903 176 Q HN 0.568 nan 8.270 nan 0.000 0.433 177 R N 0.427 121.060 120.500 0.222 0.000 2.091 177 R HA -0.140 4.197 4.340 -0.005 0.000 0.238 177 R C 2.367 178.753 176.300 0.144 0.000 1.136 177 R CA 1.322 57.533 56.100 0.184 0.000 0.959 177 R CB -0.266 30.075 30.300 0.069 0.000 0.856 177 R HN 0.168 nan 8.270 nan 0.000 0.437 178 R N 0.841 121.394 120.500 0.088 0.000 2.055 178 R HA -0.086 4.251 4.340 -0.005 0.000 0.226 178 R C 2.153 178.484 176.300 0.052 0.000 1.135 178 R CA 1.756 57.888 56.100 0.052 0.000 0.959 178 R CB 0.094 30.407 30.300 0.022 0.000 0.854 178 R HN 0.257 nan 8.270 nan 0.000 0.431 179 V N -2.629 117.314 119.914 0.049 0.000 3.523 179 V HA 0.144 4.261 4.120 -0.005 0.000 0.255 179 V C 1.599 177.687 176.094 -0.009 0.000 1.226 179 V CA 0.252 62.563 62.300 0.018 0.000 1.092 179 V CB 0.836 32.664 31.823 0.009 0.000 0.817 179 V HN 0.065 nan 8.190 nan 0.000 0.458 180 V N -0.370 119.540 119.914 -0.006 0.000 2.492 180 V HA 0.178 4.295 4.120 -0.005 0.000 0.241 180 V C 2.151 178.060 176.094 -0.309 0.000 1.041 180 V CA 2.029 64.222 62.300 -0.179 0.000 1.057 180 V CB -0.472 31.214 31.823 -0.228 0.000 0.711 180 V HN 0.491 nan 8.190 nan 0.000 0.468 181 F N -0.622 119.350 119.950 0.037 0.000 2.678 181 F HA 0.345 4.868 4.527 -0.006 0.000 0.291 181 F C 1.300 177.115 175.800 0.025 0.000 1.123 181 F CA -0.189 57.833 58.000 0.036 0.000 1.395 181 F CB 0.073 39.102 39.000 0.048 0.000 1.121 181 F HN -0.078 nan 8.300 nan 0.000 0.592 182 R N 0.214 120.814 120.500 0.167 0.000 3.416 182 R HA -0.161 4.176 4.340 -0.005 0.000 0.263 182 R C -0.487 175.874 176.300 0.101 0.000 1.053 182 R CA 0.379 56.538 56.100 0.099 0.000 0.705 182 R CB -2.065 28.269 30.300 0.057 0.000 1.124 182 R HN 0.239 nan 8.270 nan 0.000 0.444 183 A N 0.800 123.693 122.820 0.122 0.000 2.413 183 A HA 0.599 4.916 4.320 -0.005 0.000 0.307 183 A C 0.024 177.629 177.584 0.035 0.000 1.087 183 A CA -0.729 51.357 52.037 0.083 0.000 0.750 183 A CB 1.142 20.204 19.000 0.103 0.000 1.296 183 A HN 0.380 nan 8.150 nan 0.000 0.423 184 N N 0.351 119.056 118.700 0.009 0.000 2.405 184 N HA 0.301 5.039 4.740 -0.005 0.000 0.269 184 N C 0.677 176.158 175.510 -0.048 0.000 1.249 184 N CA -0.523 52.508 53.050 -0.031 0.000 0.974 184 N CB 0.374 38.843 38.487 -0.029 0.000 1.204 184 N HN 0.595 nan 8.380 nan 0.000 0.565 185 R N -0.937 119.486 120.500 -0.130 0.000 2.083 185 R HA -0.141 4.196 4.340 -0.005 0.000 0.237 185 R C 1.905 178.252 176.300 0.079 0.000 1.137 185 R CA 1.881 57.870 56.100 -0.184 0.000 0.951 185 R CB -0.844 29.226 30.300 -0.383 0.000 0.851 185 R HN 0.753 nan 8.270 nan 0.000 0.434 186 A N 1.185 124.031 122.820 0.045 0.000 1.933 186 A HA -0.188 4.130 4.320 -0.005 0.000 0.218 186 A C 1.884 179.500 177.584 0.053 0.000 1.175 186 A CA 1.387 53.464 52.037 0.066 0.000 0.628 186 A CB -0.280 18.740 19.000 0.035 0.000 0.814 186 A HN 0.347 nan 8.150 nan 0.000 0.444 187 E N -0.459 119.762 120.200 0.034 0.000 2.072 187 E HA -0.099 4.248 4.350 -0.005 0.000 0.191 187 E C 1.918 178.526 176.600 0.012 0.000 0.985 187 E CA 1.202 57.615 56.400 0.021 0.000 0.801 187 E CB -0.226 29.486 29.700 0.020 0.000 0.750 187 E HN 0.378 nan 8.360 nan 0.000 0.452 188 V N 1.305 121.236 119.914 0.029 0.000 2.427 188 V HA -0.269 3.848 4.120 -0.005 0.000 0.248 188 V C 2.465 178.584 176.094 0.042 0.000 1.051 188 V CA 1.929 64.231 62.300 0.003 0.000 1.048 188 V CB -0.412 31.445 31.823 0.056 0.000 0.666 188 V HN 0.276 nan 8.190 nan 0.000 0.456 189 Q N 0.178 120.040 119.800 0.103 0.000 2.079 189 Q HA -0.188 4.149 4.340 -0.005 0.000 0.200 189 Q C 2.246 178.237 176.000 -0.015 0.000 0.974 189 Q CA 1.922 57.742 55.803 0.029 0.000 0.840 189 Q CB -0.319 28.457 28.738 0.065 0.000 0.898 189 Q HN 0.604 nan 8.270 nan 0.000 0.430 190 A N 0.823 123.643 122.820 0.001 0.000 1.940 190 A HA -0.183 4.134 4.320 -0.005 0.000 0.219 190 A C 1.990 179.560 177.584 -0.024 0.000 1.176 190 A CA 1.380 53.408 52.037 -0.015 0.000 0.631 190 A CB -0.710 18.287 19.000 -0.005 0.000 0.814 190 A HN 0.527 nan 8.150 nan 0.000 0.446 191 I N -0.480 120.076 120.570 -0.023 0.000 2.226 191 I HA -0.288 3.879 4.170 -0.005 0.000 0.245 191 I C 2.948 179.066 176.117 0.001 0.000 1.100 191 I CA 1.100 62.386 61.300 -0.024 0.000 1.374 191 I CB -0.340 37.624 38.000 -0.061 0.000 1.057 191 I HN 0.380 nan 8.210 nan 0.000 0.413 192 A N -0.397 122.425 122.820 0.003 0.000 1.930 192 A HA -0.184 4.134 4.320 -0.005 0.000 0.217 192 A C 2.398 179.968 177.584 -0.025 0.000 1.175 192 A CA 2.289 54.338 52.037 0.021 0.000 0.627 192 A CB -0.837 18.063 19.000 -0.167 0.000 0.815 192 A HN 0.335 nan 8.150 nan 0.000 0.443 193 T N -0.676 113.836 114.554 -0.071 0.000 2.978 193 T HA -0.050 4.297 4.350 -0.005 0.000 0.262 193 T C 1.451 176.098 174.700 -0.089 0.000 1.063 193 T CA 1.228 63.279 62.100 -0.081 0.000 1.140 193 T CB -0.332 68.491 68.868 -0.075 0.000 0.886 193 T HN 0.407 nan 8.240 nan 0.000 0.470 194 D N 0.771 121.127 120.400 -0.075 0.000 2.144 194 D HA -0.002 4.635 4.640 -0.005 0.000 0.200 194 D C 2.198 178.417 176.300 -0.134 0.000 0.978 194 D CA 1.070 55.017 54.000 -0.087 0.000 0.833 194 D CB -0.644 40.121 40.800 -0.057 0.000 0.961 194 D HN 0.480 nan 8.370 nan 0.000 0.470 195 G N 0.966 109.686 108.800 -0.133 0.000 2.446 195 G HA2 -0.228 3.730 3.960 -0.005 0.000 0.217 195 G HA3 -0.228 3.730 3.960 -0.005 0.000 0.217 195 G C 1.742 176.312 174.900 -0.550 0.000 1.168 195 G CA 1.404 46.354 45.100 -0.250 0.000 0.771 195 G HN 0.391 nan 8.290 nan 0.000 0.551 196 A N 0.547 123.067 122.820 -0.500 0.000 1.908 196 A HA -0.037 4.280 4.320 -0.005 0.000 0.218 196 A C 2.423 179.757 177.584 -0.416 0.000 1.181 196 A CA 1.786 53.498 52.037 -0.542 0.000 0.627 196 A CB -0.452 18.460 19.000 -0.146 0.000 0.818 196 A HN 0.353 nan 8.150 nan 0.000 0.445 197 R N -0.825 119.513 120.500 -0.270 0.000 2.083 197 R HA -0.172 4.165 4.340 -0.005 0.000 0.237 197 R C 2.340 178.498 176.300 -0.238 0.000 1.137 197 R CA 1.804 57.777 56.100 -0.211 0.000 0.951 197 R CB -0.223 29.991 30.300 -0.143 0.000 0.851 197 R HN 0.425 nan 8.270 nan 0.000 0.434 198 K N 0.519 120.772 120.400 -0.246 0.000 2.103 198 K HA -0.133 4.184 4.320 -0.005 0.000 0.207 198 K C 1.883 178.289 176.600 -0.324 0.000 1.048 198 K CA 1.603 57.745 56.287 -0.242 0.000 0.930 198 K CB -0.509 31.875 32.500 -0.193 0.000 0.716 198 K HN 0.172 nan 8.250 nan 0.000 0.444 199 C N -0.672 118.396 119.300 -0.387 0.000 2.429 199 C HA -0.049 4.408 4.460 -0.005 0.000 0.277 199 C C 2.534 177.309 174.990 -0.360 0.000 1.262 199 C CA 0.819 59.632 59.018 -0.342 0.000 1.733 199 C CB -0.675 26.731 27.740 -0.557 0.000 2.010 199 C HN 0.306 nan 8.230 nan 0.000 0.483 200 V N 0.861 120.546 119.914 -0.381 0.000 2.407 200 V HA -0.225 3.892 4.120 -0.005 0.000 0.248 200 V C 2.561 178.544 176.094 -0.185 0.000 1.055 200 V CA 2.213 64.373 62.300 -0.233 0.000 1.049 200 V CB -0.724 30.981 31.823 -0.197 0.000 0.662 200 V HN 0.629 nan 8.190 nan 0.000 0.455 201 E N -0.250 119.812 120.200 -0.231 0.000 2.047 201 E HA -0.246 4.101 4.350 -0.005 0.000 0.191 201 E C 2.262 178.694 176.600 -0.280 0.000 0.987 201 E CA 1.279 57.555 56.400 -0.207 0.000 0.799 201 E CB -0.060 29.526 29.700 -0.190 0.000 0.752 201 E HN 0.546 nan 8.360 nan 0.000 0.449 202 Q N -0.055 119.447 119.800 -0.497 0.000 2.167 202 Q HA -0.090 4.247 4.340 -0.005 0.000 0.202 202 Q C 2.062 177.665 176.000 -0.662 0.000 0.970 202 Q CA 1.179 56.538 55.803 -0.741 0.000 0.855 202 Q CB -0.285 27.524 28.738 -1.548 0.000 0.911 202 Q HN 0.353 nan 8.270 nan 0.000 0.438 203 A N 1.138 123.613 122.820 -0.575 0.000 1.902 203 A HA -0.072 4.245 4.320 -0.005 0.000 0.217 203 A C 2.320 179.925 177.584 0.034 0.000 1.181 203 A CA 1.764 53.634 52.037 -0.277 0.000 0.623 203 A CB -0.591 18.458 19.000 0.082 0.000 0.818 203 A HN 0.356 nan 8.150 nan 0.000 0.443 204 A N -0.747 122.071 122.820 -0.003 0.000 2.019 204 A HA 0.105 4.422 4.320 -0.005 0.000 0.219 204 A C 2.243 179.840 177.584 0.022 0.000 1.164 204 A CA 2.324 54.383 52.037 0.037 0.000 0.644 204 A CB -0.664 18.332 19.000 -0.006 0.000 0.805 204 A HN 0.687 nan 8.150 nan 0.000 0.449 205 K N -1.552 118.823 120.400 -0.041 0.000 2.400 205 K HA 0.197 4.514 4.320 -0.005 0.000 0.194 205 K C 0.047 176.529 176.600 -0.197 0.000 1.033 205 K CA 0.440 56.641 56.287 -0.143 0.000 1.021 205 K CB -0.492 31.855 32.500 -0.254 0.000 0.808 205 K HN 0.601 nan 8.250 nan 0.000 0.505 206 Y N 1.525 121.918 120.300 0.155 0.000 2.842 206 Y HA 0.284 4.831 4.550 -0.005 0.000 0.334 206 Y C -2.434 173.735 175.900 0.448 0.000 1.019 206 Y CA -3.176 55.138 58.100 0.357 0.000 1.258 206 Y CB 1.273 40.094 38.460 0.602 0.000 1.106 206 Y HN 0.076 nan 8.280 nan 0.000 0.545 207 P HA 0.303 nan 4.420 nan 0.000 0.276 207 P C 0.993 178.414 177.300 0.202 0.000 1.244 207 P CA 0.633 63.884 63.100 0.252 0.000 0.801 207 P CB 1.610 33.393 31.700 0.138 0.000 1.006 208 G N 0.307 109.182 108.800 0.124 0.000 2.579 208 G HA2 -0.232 3.726 3.960 -0.005 0.000 0.222 208 G HA3 -0.232 3.726 3.960 -0.005 0.000 0.222 208 G C 0.302 175.162 174.900 -0.068 0.000 1.201 208 G CA 0.316 45.436 45.100 0.033 0.000 0.710 208 G HN 0.704 nan 8.290 nan 0.000 0.516 209 T N 3.446 117.903 114.554 -0.160 0.000 2.902 209 T HA 0.413 4.760 4.350 -0.005 0.000 0.301 209 T C 0.188 174.538 174.700 -0.583 0.000 1.012 209 T CA 0.339 62.119 62.100 -0.534 0.000 1.151 209 T CB 1.084 69.311 68.868 -1.068 0.000 0.946 209 T HN 0.296 nan 8.240 nan 0.000 0.542 210 Q N 2.992 122.517 119.800 -0.458 0.000 2.472 210 Q HA 0.137 4.474 4.340 -0.005 0.000 0.227 210 Q C -0.670 175.135 176.000 -0.325 0.000 1.156 210 Q CA 0.034 55.678 55.803 -0.266 0.000 0.924 210 Q CB 0.160 28.801 28.738 -0.162 0.000 1.354 210 Q HN 0.618 nan 8.270 nan 0.000 0.525 211 W N 2.537 123.790 121.300 -0.079 0.000 2.218 211 W HA 0.319 4.976 4.660 -0.005 0.000 0.326 211 W C 0.944 177.226 176.519 -0.396 0.000 1.276 211 W CA -0.355 56.845 57.345 -0.242 0.000 1.210 211 W CB 1.028 30.424 29.460 -0.107 0.000 1.143 211 W HN 0.139 nan 8.180 nan 0.000 0.563 212 R N 1.995 122.267 120.500 -0.380 0.000 2.740 212 R HA 0.553 4.890 4.340 -0.005 0.000 0.273 212 R C -1.618 174.292 176.300 -0.651 0.000 0.998 212 R CA -1.215 54.653 56.100 -0.387 0.000 0.900 212 R CB 2.108 32.314 30.300 -0.156 0.000 1.223 212 R HN 0.399 nan 8.270 nan 0.000 0.466 213 F N 0.203 120.248 119.950 0.159 0.000 2.563 213 F HA 0.405 4.929 4.527 -0.005 0.000 0.316 213 F C 0.166 176.011 175.800 0.076 0.000 1.076 213 F CA -0.714 57.414 58.000 0.212 0.000 0.921 213 F CB 2.281 41.481 39.000 0.333 0.000 1.209 213 F HN 0.363 nan 8.300 nan 0.000 0.462 214 E N 1.836 122.189 120.200 0.255 0.000 2.256 214 E HA 0.326 4.673 4.350 -0.005 0.000 0.268 214 E C -2.219 174.322 176.600 -0.099 0.000 0.877 214 E CA -0.767 55.630 56.400 -0.005 0.000 0.757 214 E CB 2.031 31.621 29.700 -0.183 0.000 1.183 214 E HN 0.609 nan 8.360 nan 0.000 0.418 215 Y N 2.522 122.672 120.300 -0.249 0.000 2.364 215 Y HA 0.505 5.052 4.550 -0.005 0.000 0.340 215 Y C -1.394 174.496 175.900 -0.016 0.000 0.975 215 Y CA -0.666 57.222 58.100 -0.353 0.000 1.089 215 Y CB 1.963 40.263 38.460 -0.266 0.000 1.192 215 Y HN 0.397 nan 8.280 nan 0.000 0.454 216 S N 8.344 123.525 115.700 -0.865 0.000 2.498 216 S HA 0.397 4.864 4.470 -0.005 0.000 0.317 216 S C -2.950 171.097 174.600 -0.922 0.000 1.090 216 S CA -1.495 56.324 58.200 -0.635 0.000 1.089 216 S CB 1.435 64.548 63.200 -0.145 0.000 0.997 216 S HN 0.468 nan 8.310 nan 0.000 0.470 217 P HA 0.146 nan 4.420 nan 0.000 0.273 217 P C -0.177 177.142 177.300 0.031 0.000 1.428 217 P CA -0.245 62.781 63.100 -0.122 0.000 0.995 217 P CB 0.243 31.995 31.700 0.087 0.000 1.286 218 E N 2.640 122.882 120.200 0.070 0.000 2.398 218 E HA 0.040 4.387 4.350 -0.005 0.000 0.263 218 E C -0.010 176.692 176.600 0.170 0.000 1.046 218 E CA 0.275 56.743 56.400 0.114 0.000 0.908 218 E CB 0.297 30.125 29.700 0.213 0.000 0.963 218 E HN 0.357 nan 8.360 nan 0.000 0.431 219 S N 2.468 118.269 115.700 0.169 0.000 3.641 219 S HA -0.266 4.201 4.470 -0.005 0.000 0.346 219 S C 0.459 175.194 174.600 0.224 0.000 1.074 219 S CA 0.992 59.303 58.200 0.186 0.000 1.026 219 S CB -2.205 61.093 63.200 0.163 0.000 0.908 219 S HN 0.715 nan 8.310 nan 0.000 0.479 220 Y N 2.440 122.813 120.300 0.123 0.000 2.151 220 Y HA -0.269 4.280 4.550 -0.002 0.000 0.284 220 Y C 2.347 178.355 175.900 0.181 0.000 1.166 220 Y CA 2.383 60.563 58.100 0.134 0.000 1.163 220 Y CB -0.769 37.766 38.460 0.126 0.000 0.974 220 Y HN 0.599 nan 8.280 nan 0.000 0.511 221 T N -2.979 111.651 114.554 0.127 0.000 3.035 221 T HA 0.019 4.366 4.350 -0.005 0.000 0.268 221 T C 1.785 176.585 174.700 0.165 0.000 1.109 221 T CA 0.826 62.975 62.100 0.082 0.000 1.119 221 T CB -0.713 68.296 68.868 0.235 0.000 0.900 221 T HN 0.437 nan 8.240 nan 0.000 0.503 222 G N 0.734 109.601 108.800 0.112 0.000 3.371 222 G HA2 0.352 4.309 3.960 -0.005 0.000 0.248 222 G HA3 0.352 4.309 3.960 -0.005 0.000 0.248 222 G C 0.032 174.935 174.900 0.005 0.000 1.161 222 G CA -0.370 44.766 45.100 0.060 0.000 0.796 222 G HN 0.469 nan 8.290 nan 0.000 0.539 223 T N 1.030 115.573 114.554 -0.019 0.000 2.855 223 T HA 0.405 4.752 4.350 -0.005 0.000 0.281 223 T C -0.515 174.156 174.700 -0.047 0.000 1.007 223 T CA -0.533 61.578 62.100 0.019 0.000 1.009 223 T CB 2.094 71.019 68.868 0.094 0.000 0.983 223 T HN 0.185 nan 8.240 nan 0.000 0.455 224 E N 1.884 122.089 120.200 0.009 0.000 2.415 224 E HA 0.104 4.451 4.350 -0.005 0.000 0.263 224 E C 0.969 177.557 176.600 -0.020 0.000 0.995 224 E CA -0.103 56.278 56.400 -0.033 0.000 0.915 224 E CB 0.391 30.087 29.700 -0.008 0.000 0.951 224 E HN 0.476 nan 8.360 nan 0.000 0.449 225 L N 2.354 123.483 121.223 -0.157 0.000 2.046 225 L HA -0.227 4.110 4.340 -0.005 0.000 0.208 225 L C 2.631 179.477 176.870 -0.041 0.000 1.077 225 L CA 1.870 56.600 54.840 -0.184 0.000 0.747 225 L CB -0.759 40.969 42.059 -0.552 0.000 0.896 225 L HN 0.808 nan 8.230 nan 0.000 0.432 226 E N -0.280 119.868 120.200 -0.087 0.000 2.118 226 E HA -0.326 4.021 4.350 -0.005 0.000 0.195 226 E C 1.898 178.621 176.600 0.204 0.000 0.992 226 E CA 1.738 58.227 56.400 0.148 0.000 0.804 226 E CB -1.154 28.605 29.700 0.098 0.000 0.741 226 E HN 0.683 nan 8.360 nan 0.000 0.458 227 Y N 0.298 120.621 120.300 0.038 0.000 2.184 227 Y HA 0.122 4.670 4.550 -0.004 0.000 0.290 227 Y C 2.860 178.804 175.900 0.074 0.000 1.129 227 Y CA 1.476 59.603 58.100 0.044 0.000 1.144 227 Y CB -0.219 38.251 38.460 0.017 0.000 0.995 227 Y HN 0.322 nan 8.280 nan 0.000 0.513 228 A N 0.908 123.721 122.820 -0.012 0.000 1.917 228 A HA -0.270 4.047 4.320 -0.005 0.000 0.219 228 A C 2.276 179.841 177.584 -0.033 0.000 1.182 228 A CA 2.100 54.124 52.037 -0.021 0.000 0.633 228 A CB -0.819 18.313 19.000 0.219 0.000 0.819 228 A HN 0.529 nan 8.150 nan 0.000 0.448 229 K N -0.506 119.947 120.400 0.088 0.000 2.026 229 K HA -0.228 4.090 4.320 -0.005 0.000 0.208 229 K C 2.235 178.809 176.600 -0.043 0.000 1.048 229 K CA 1.838 58.167 56.287 0.069 0.000 0.929 229 K CB -0.253 32.403 32.500 0.261 0.000 0.713 229 K HN 0.656 nan 8.250 nan 0.000 0.439 230 Q N 0.152 119.938 119.800 -0.024 0.000 2.061 230 Q HA -0.154 4.183 4.340 -0.005 0.000 0.204 230 Q C 2.173 178.084 176.000 -0.148 0.000 0.984 230 Q CA 1.931 57.704 55.803 -0.049 0.000 0.846 230 Q CB -0.074 28.683 28.738 0.031 0.000 0.902 230 Q HN 0.143 nan 8.270 nan 0.000 0.421 231 V N 0.104 119.849 119.914 -0.281 0.000 2.261 231 V HA -0.338 3.779 4.120 -0.005 0.000 0.246 231 V C 2.404 178.316 176.094 -0.303 0.000 1.047 231 V CA 1.648 63.766 62.300 -0.303 0.000 1.015 231 V CB -0.743 30.856 31.823 -0.374 0.000 0.642 231 V HN 0.536 nan 8.190 nan 0.000 0.446 232 C N 0.257 119.354 119.300 -0.338 0.000 2.393 232 C HA -0.221 4.236 4.460 -0.005 0.000 0.276 232 C C 2.604 177.321 174.990 -0.454 0.000 1.215 232 C CA 1.307 59.914 59.018 -0.685 0.000 1.743 232 C CB -1.197 25.876 27.740 -1.112 0.000 2.044 232 C HN 0.610 nan 8.230 nan 0.000 0.464 233 D N 0.609 120.856 120.400 -0.256 0.000 2.116 233 D HA -0.114 4.523 4.640 -0.005 0.000 0.193 233 D C 2.279 178.570 176.300 -0.014 0.000 0.998 233 D CA 1.887 55.851 54.000 -0.060 0.000 0.836 233 D CB -0.572 40.205 40.800 -0.039 0.000 0.951 233 D HN 0.527 nan 8.370 nan 0.000 0.449 234 A N 0.344 123.125 122.820 -0.065 0.000 1.902 234 A HA -0.124 4.193 4.320 -0.005 0.000 0.217 234 A C 2.539 180.099 177.584 -0.040 0.000 1.181 234 A CA 1.172 53.179 52.037 -0.049 0.000 0.623 234 A CB -0.735 18.223 19.000 -0.071 0.000 0.818 234 A HN 0.153 nan 8.150 nan 0.000 0.443 235 V N -0.069 119.799 119.914 -0.077 0.000 2.343 235 V HA -0.197 3.920 4.120 -0.005 0.000 0.247 235 V C 2.789 178.961 176.094 0.131 0.000 1.051 235 V CA 2.022 64.311 62.300 -0.018 0.000 1.036 235 V CB -1.310 30.418 31.823 -0.158 0.000 0.654 235 V HN 0.623 nan 8.190 nan 0.000 0.451 236 G N -0.833 108.119 108.800 0.254 0.000 2.422 236 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.218 236 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.218 236 G C 1.477 176.449 174.900 0.121 0.000 1.146 236 G CA 0.513 45.772 45.100 0.265 0.000 0.769 236 G HN 0.467 nan 8.290 nan 0.000 0.547 237 E N 0.389 120.636 120.200 0.079 0.000 2.110 237 E HA -0.082 4.265 4.350 -0.005 0.000 0.193 237 E C 2.847 179.458 176.600 0.019 0.000 0.988 237 E CA 0.680 57.104 56.400 0.040 0.000 0.804 237 E CB -0.362 29.351 29.700 0.022 0.000 0.745 237 E HN 0.335 nan 8.360 nan 0.000 0.458 238 V N 1.810 121.727 119.914 0.005 0.000 2.270 238 V HA -0.233 3.884 4.120 -0.005 0.000 0.245 238 V C 2.395 178.467 176.094 -0.035 0.000 1.043 238 V CA 1.273 63.555 62.300 -0.029 0.000 1.014 238 V CB -0.357 31.431 31.823 -0.058 0.000 0.645 238 V HN 0.216 nan 8.190 nan 0.000 0.447 239 I N 0.116 120.676 120.570 -0.016 0.000 2.394 239 I HA -0.032 4.135 4.170 -0.005 0.000 0.251 239 I C 1.526 177.665 176.117 0.037 0.000 1.136 239 I CA 1.307 62.594 61.300 -0.022 0.000 1.425 239 I CB -1.513 36.501 38.000 0.023 0.000 1.079 239 I HN 0.452 nan 8.210 nan 0.000 0.425 240 A N 1.382 124.229 122.820 0.045 0.000 2.475 240 A HA -0.127 4.190 4.320 -0.005 0.000 0.295 240 A C -1.769 175.853 177.584 0.064 0.000 1.457 240 A CA -0.012 52.055 52.037 0.050 0.000 0.734 240 A CB -2.266 16.758 19.000 0.039 0.000 1.118 240 A HN 0.337 nan 8.150 nan 0.000 0.400 241 P HA 0.567 nan 4.420 nan 0.000 0.276 241 P C 0.266 177.592 177.300 0.042 0.000 1.252 241 P CA 0.610 63.745 63.100 0.059 0.000 0.802 241 P CB 1.160 32.874 31.700 0.024 0.000 1.035 242 T N -3.559 111.018 114.554 0.039 0.000 2.907 242 T HA 0.451 4.799 4.350 -0.005 0.000 0.290 242 T C -2.253 172.457 174.700 0.017 0.000 1.066 242 T CA -2.118 59.999 62.100 0.028 0.000 1.012 242 T CB 1.077 69.964 68.868 0.032 0.000 1.184 242 T HN 0.016 nan 8.240 nan 0.000 0.522 243 P HA 0.042 nan 4.420 nan 0.000 0.218 243 P C 1.587 178.889 177.300 0.004 0.000 1.148 243 P CA 1.825 64.928 63.100 0.006 0.000 0.822 243 P CB -0.151 31.552 31.700 0.005 0.000 0.784 244 E N -0.537 119.669 120.200 0.009 0.000 2.299 244 E HA 0.082 4.429 4.350 -0.005 0.000 0.193 244 E C 1.581 178.187 176.600 0.011 0.000 0.998 244 E CA 1.193 57.598 56.400 0.008 0.000 0.851 244 E CB -0.892 28.815 29.700 0.011 0.000 0.795 244 E HN 0.313 nan 8.360 nan 0.000 0.492 245 R N 1.413 121.925 120.500 0.021 0.000 2.681 245 R HA 0.430 4.768 4.340 -0.005 0.000 0.277 245 R C -2.809 173.511 176.300 0.033 0.000 1.563 245 R CA -1.082 55.037 56.100 0.032 0.000 1.673 245 R CB -0.384 29.952 30.300 0.059 0.000 1.258 245 R HN 0.347 nan 8.270 nan 0.000 0.650 246 P HA 0.358 nan 4.420 nan 0.000 0.276 246 P C -0.287 176.995 177.300 -0.031 0.000 1.252 246 P CA -0.521 62.567 63.100 -0.019 0.000 0.802 246 P CB 1.340 33.018 31.700 -0.037 0.000 1.035 247 I N 0.810 121.316 120.570 -0.106 0.000 2.566 247 I HA 0.328 4.496 4.170 -0.005 0.000 0.303 247 I C -0.122 175.807 176.117 -0.314 0.000 0.983 247 I CA -1.383 59.806 61.300 -0.185 0.000 1.235 247 I CB 0.778 38.582 38.000 -0.327 0.000 1.386 247 I HN 0.161 nan 8.210 nan 0.000 0.494 248 I N 6.873 127.286 120.570 -0.263 0.000 2.331 248 I HA 0.238 4.406 4.170 -0.005 0.000 0.292 248 I C -0.959 174.985 176.117 -0.288 0.000 0.998 248 I CA -0.167 60.992 61.300 -0.236 0.000 1.267 248 I CB 0.775 38.684 38.000 -0.151 0.000 1.386 248 I HN 0.366 nan 8.210 nan 0.000 0.476 249 F N 5.613 125.541 119.950 -0.036 0.000 2.388 249 F HA 0.313 4.837 4.527 -0.004 0.000 0.358 249 F C 0.539 176.260 175.800 -0.132 0.000 1.122 249 F CA -0.645 57.323 58.000 -0.053 0.000 1.056 249 F CB 0.897 39.896 39.000 -0.003 0.000 1.155 249 F HN 0.497 nan 8.300 nan 0.000 0.461 250 N N 6.062 124.752 118.700 -0.016 0.000 2.424 250 N HA 0.379 5.116 4.740 -0.005 0.000 0.271 250 N C -1.424 173.984 175.510 -0.169 0.000 0.985 250 N CA -0.417 52.557 53.050 -0.125 0.000 0.921 250 N CB 1.058 39.397 38.487 -0.247 0.000 1.149 250 N HN 0.656 nan 8.380 nan 0.000 0.492 251 L N 5.723 126.824 121.223 -0.204 0.000 2.335 251 L HA 0.435 4.772 4.340 -0.005 0.000 0.268 251 L C -2.225 174.568 176.870 -0.129 0.000 1.037 251 L CA -1.697 52.866 54.840 -0.462 0.000 0.895 251 L CB 1.401 42.882 42.059 -0.962 0.000 1.266 251 L HN 0.349 nan 8.230 nan 0.000 0.439 252 P HA 0.182 nan 4.420 nan 0.000 0.290 252 P C -0.452 177.079 177.300 0.385 0.000 1.276 252 P CA -0.503 62.747 63.100 0.250 0.000 0.808 252 P CB 1.946 33.730 31.700 0.140 0.000 0.966 253 A N 3.204 126.190 122.820 0.278 0.000 3.056 253 A HA 0.221 4.538 4.320 -0.005 0.000 0.274 253 A C 1.525 179.253 177.584 0.241 0.000 1.661 253 A CA -0.052 52.088 52.037 0.173 0.000 1.363 253 A CB -1.203 17.708 19.000 -0.148 0.000 1.139 253 A HN 0.503 nan 8.150 nan 0.000 0.598 254 T N 0.149 114.856 114.554 0.255 0.000 2.665 254 T HA -0.089 4.258 4.350 -0.005 0.000 0.268 254 T C 0.857 175.583 174.700 0.043 0.000 1.035 254 T CA 1.651 63.861 62.100 0.185 0.000 1.151 254 T CB -0.126 68.812 68.868 0.117 0.000 0.862 254 T HN 0.290 nan 8.240 nan 0.000 0.438 255 V N 1.511 121.470 119.914 0.075 0.000 2.435 255 V HA 0.342 4.459 4.120 -0.005 0.000 0.290 255 V C 0.212 176.346 176.094 0.067 0.000 1.030 255 V CA -1.127 61.204 62.300 0.051 0.000 0.881 255 V CB 1.901 33.756 31.823 0.053 0.000 0.983 255 V HN 0.334 nan 8.190 nan 0.000 0.445 259 T N 1.874 116.343 114.554 -0.140 0.000 2.926 259 T HA 0.337 4.684 4.350 -0.005 0.000 0.307 259 T C -1.490 173.162 174.700 -0.080 0.000 1.059 259 T CA -0.611 61.441 62.100 -0.080 0.000 1.122 259 T CB 0.628 69.479 68.868 -0.029 0.000 0.972 259 T HN 0.475 nan 8.240 nan 0.000 0.545 260 P HA -0.146 nan 4.420 nan 0.000 0.220 260 P C 1.096 178.330 177.300 -0.111 0.000 1.148 260 P CA 1.252 64.315 63.100 -0.061 0.000 0.803 260 P CB -0.242 31.420 31.700 -0.063 0.000 0.782 261 N N -0.157 118.492 118.700 -0.085 0.000 2.166 261 N HA -0.110 4.628 4.740 -0.005 0.000 0.186 261 N C 1.548 177.055 175.510 -0.004 0.000 1.019 261 N CA 0.963 53.968 53.050 -0.074 0.000 0.856 261 N CB -1.214 37.453 38.487 0.300 0.000 0.993 261 N HN -0.073 nan 8.380 nan 0.000 0.426 262 V N -0.129 119.785 119.914 0.001 0.000 2.379 262 V HA -0.197 3.920 4.120 -0.005 0.000 0.245 262 V C 2.081 178.165 176.094 -0.017 0.000 1.044 262 V CA 1.312 63.607 62.300 -0.009 0.000 1.036 262 V CB -1.011 30.736 31.823 -0.126 0.000 0.664 262 V HN 0.312 nan 8.190 nan 0.000 0.453 263 Y N 1.788 121.990 120.300 -0.164 0.000 2.114 263 Y HA -0.314 4.232 4.550 -0.006 0.000 0.282 263 Y C 2.421 178.265 175.900 -0.092 0.000 1.165 263 Y CA 1.725 59.769 58.100 -0.093 0.000 1.148 263 Y CB -0.668 37.739 38.460 -0.088 0.000 0.972 263 Y HN 0.157 nan 8.280 nan 0.000 0.504 264 A N -0.167 122.504 122.820 -0.247 0.000 1.933 264 A HA -0.188 4.129 4.320 -0.005 0.000 0.218 264 A C 1.968 179.350 177.584 -0.337 0.000 1.175 264 A CA 1.929 53.638 52.037 -0.548 0.000 0.628 264 A CB -0.810 17.433 19.000 -1.261 0.000 0.814 264 A HN 0.535 nan 8.150 nan 0.000 0.444 265 D N 0.010 120.385 120.400 -0.042 0.000 2.117 265 D HA -0.138 4.500 4.640 -0.005 0.000 0.197 265 D C 2.520 178.924 176.300 0.173 0.000 0.987 265 D CA 1.790 55.941 54.000 0.251 0.000 0.829 265 D CB -0.346 40.615 40.800 0.269 0.000 0.961 265 D HN 0.580 nan 8.370 nan 0.000 0.460 266 S N 0.501 116.244 115.700 0.072 0.000 2.370 266 S HA -0.148 4.320 4.470 -0.005 0.000 0.226 266 S C 2.066 176.766 174.600 0.167 0.000 1.033 266 S CA 0.686 58.957 58.200 0.119 0.000 1.011 266 S CB -0.353 62.894 63.200 0.078 0.000 0.852 266 S HN 0.084 nan 8.310 nan 0.000 0.457 267 I N 2.506 123.051 120.570 -0.042 0.000 2.179 267 I HA -0.100 4.067 4.170 -0.005 0.000 0.242 267 I C 2.823 178.976 176.117 0.059 0.000 1.088 267 I CA 1.753 63.010 61.300 -0.071 0.000 1.357 267 I CB -1.584 36.265 38.000 -0.252 0.000 1.051 267 I HN 0.556 nan 8.210 nan 0.000 0.409 268 E N -0.170 120.094 120.200 0.106 0.000 2.077 268 E HA -0.228 4.119 4.350 -0.005 0.000 0.193 268 E C 1.183 177.888 176.600 0.175 0.000 0.989 268 E CA 0.571 57.064 56.400 0.156 0.000 0.800 268 E CB -0.135 29.726 29.700 0.268 0.000 0.746 268 E HN 0.349 nan 8.360 nan 0.000 0.452 272 R N 0.759 121.181 120.500 -0.130 0.000 2.200 272 R HA 0.262 4.599 4.340 -0.005 0.000 0.208 272 R C 0.985 177.117 176.300 -0.279 0.000 1.033 272 R CA 1.428 57.416 56.100 -0.186 0.000 1.000 272 R CB -0.161 30.011 30.300 -0.213 0.000 0.906 272 R HN 0.416 nan 8.270 nan 0.000 0.462 273 N N -0.602 117.847 118.700 -0.419 0.000 2.332 273 N HA 0.118 4.855 4.740 -0.005 0.000 0.190 273 N C -0.240 175.111 175.510 -0.265 0.000 1.117 273 N CA -0.161 52.591 53.050 -0.496 0.000 0.883 273 N CB 0.551 38.361 38.487 -1.128 0.000 1.089 273 N HN -0.077 nan 8.380 nan 0.000 0.480 274 L N 1.504 122.629 121.223 -0.162 0.000 2.514 274 L HA 0.132 4.469 4.340 -0.005 0.000 0.280 274 L C 0.587 177.445 176.870 -0.021 0.000 1.223 274 L CA -0.558 54.250 54.840 -0.054 0.000 0.864 274 L CB 0.302 42.378 42.059 0.028 0.000 1.118 274 L HN 0.111 nan 8.230 nan 0.000 0.494 275 A N 2.999 125.825 122.820 0.009 0.000 2.386 275 A HA 0.196 4.513 4.320 -0.005 0.000 0.248 275 A C 0.875 178.498 177.584 0.065 0.000 1.082 275 A CA -0.052 52.000 52.037 0.026 0.000 0.789 275 A CB 0.129 19.146 19.000 0.029 0.000 1.025 275 A HN 0.930 nan 8.150 nan 0.000 0.490 276 N N -1.025 117.701 118.700 0.043 0.000 2.738 276 N HA -0.180 4.558 4.740 -0.005 0.000 0.249 276 N C 0.658 176.198 175.510 0.050 0.000 1.047 276 N CA 1.078 54.156 53.050 0.047 0.000 0.707 276 N CB -0.764 37.760 38.487 0.061 0.000 0.937 276 N HN 0.780 nan 8.380 nan 0.000 0.545 277 R N 1.067 121.589 120.500 0.036 0.000 2.105 277 R HA -0.026 4.311 4.340 -0.005 0.000 0.239 277 R C 1.779 178.092 176.300 0.022 0.000 1.135 277 R CA 2.291 58.411 56.100 0.034 0.000 0.967 277 R CB -0.337 29.969 30.300 0.010 0.000 0.861 277 R HN 0.623 nan 8.270 nan 0.000 0.442 278 E N -0.619 119.589 120.200 0.013 0.000 2.204 278 E HA -0.080 4.267 4.350 -0.005 0.000 0.195 278 E C 0.333 176.936 176.600 0.004 0.000 0.990 278 E CA 1.248 57.652 56.400 0.006 0.000 0.821 278 E CB 0.076 29.778 29.700 0.004 0.000 0.750 278 E HN 0.301 nan 8.360 nan 0.000 0.477 279 S N 0.012 115.717 115.700 0.008 0.000 2.660 279 S HA 0.140 4.607 4.470 -0.005 0.000 0.227 279 S C -0.255 174.323 174.600 -0.036 0.000 0.948 279 S CA -0.255 57.943 58.200 -0.004 0.000 0.948 279 S CB 0.949 64.154 63.200 0.009 0.000 0.779 279 S HN -0.046 nan 8.310 nan 0.000 0.487 280 V N 2.274 122.171 119.914 -0.028 0.000 2.487 280 V HA 0.444 4.561 4.120 -0.005 0.000 0.298 280 V C -0.415 175.654 176.094 -0.042 0.000 1.028 280 V CA -0.733 61.529 62.300 -0.063 0.000 0.860 280 V CB 1.753 33.608 31.823 0.053 0.000 0.991 280 V HN 0.298 nan 8.190 nan 0.000 0.427 281 I N 5.548 126.072 120.570 -0.078 0.000 2.297 281 I HA 0.293 4.460 4.170 -0.005 0.000 0.291 281 I C -0.440 175.657 176.117 -0.032 0.000 1.033 281 I CA -0.445 60.826 61.300 -0.050 0.000 1.253 281 I CB 1.305 39.266 38.000 -0.066 0.000 1.396 281 I HN 0.392 nan 8.210 nan 0.000 0.476 282 L N 7.009 128.237 121.223 0.007 0.000 2.265 282 L HA 0.398 4.735 4.340 -0.005 0.000 0.288 282 L C 0.073 176.943 176.870 -0.000 0.000 1.058 282 L CA 0.602 55.459 54.840 0.029 0.000 0.809 282 L CB 1.213 43.298 42.059 0.044 0.000 1.179 282 L HN 0.558 nan 8.230 nan 0.000 0.429 283 S N 5.413 121.102 115.700 -0.018 0.000 2.503 283 S HA 0.753 5.221 4.470 -0.005 0.000 0.301 283 S C -0.830 173.760 174.600 -0.018 0.000 1.087 283 S CA -0.764 57.415 58.200 -0.035 0.000 1.042 283 S CB 0.786 63.946 63.200 -0.066 0.000 1.043 283 S HN 0.561 nan 8.310 nan 0.000 0.489 284 L N 3.848 125.084 121.223 0.022 0.000 2.325 284 L HA 0.529 4.866 4.340 -0.005 0.000 0.278 284 L C -0.555 176.388 176.870 0.122 0.000 1.023 284 L CA -0.758 54.149 54.840 0.112 0.000 0.811 284 L CB 1.628 43.781 42.059 0.157 0.000 1.249 284 L HN 0.869 nan 8.230 nan 0.000 0.431 285 H N 2.858 121.945 119.070 0.028 0.000 2.538 285 H HA 0.368 4.921 4.556 -0.005 0.000 0.239 285 H C -2.746 172.531 175.328 -0.084 0.000 1.401 285 H CA -1.430 54.591 56.048 -0.046 0.000 1.499 285 H CB 1.097 30.837 29.762 -0.037 0.000 1.624 285 H HN 0.278 nan 8.280 nan 0.000 0.524 286 P HA 0.204 nan 4.420 nan 0.000 0.290 286 P C -0.425 176.660 177.300 -0.360 0.000 1.276 286 P CA -0.254 62.685 63.100 -0.268 0.000 0.808 286 P CB 1.213 32.724 31.700 -0.315 0.000 0.966 287 H N 1.661 120.651 119.070 -0.133 0.000 2.523 287 H HA 0.268 4.821 4.556 -0.005 0.000 0.345 287 H C 0.189 175.456 175.328 -0.103 0.000 1.261 287 H CA -0.207 55.781 56.048 -0.100 0.000 1.343 287 H CB 1.174 30.912 29.762 -0.040 0.000 1.650 287 H HN 0.303 nan 8.280 nan 0.000 0.591 288 N N 0.339 119.074 118.700 0.058 0.000 2.328 288 N HA -0.004 4.733 4.740 -0.005 0.000 0.247 288 N C 0.224 175.729 175.510 -0.009 0.000 1.165 288 N CA -0.108 52.936 53.050 -0.010 0.000 0.873 288 N CB 0.182 38.657 38.487 -0.021 0.000 1.125 288 N HN 0.421 nan 8.380 nan 0.000 0.513 289 D N -0.075 120.327 120.400 0.003 0.000 2.182 289 D HA -0.137 4.500 4.640 -0.005 0.000 0.201 289 D C 0.826 177.109 176.300 -0.029 0.000 0.986 289 D CA 0.989 54.983 54.000 -0.010 0.000 0.847 289 D CB 0.288 41.086 40.800 -0.003 0.000 0.942 289 D HN 0.446 nan 8.370 nan 0.000 0.467 290 R N -0.585 119.892 120.500 -0.038 0.000 2.432 290 R HA 0.240 4.578 4.340 -0.005 0.000 0.260 290 R C 1.085 177.356 176.300 -0.048 0.000 0.935 290 R CA 0.302 56.375 56.100 -0.045 0.000 1.080 290 R CB 1.003 31.273 30.300 -0.049 0.000 1.155 290 R HN 0.080 nan 8.270 nan 0.000 0.531 291 G N 1.433 110.203 108.800 -0.050 0.000 2.143 291 G HA2 -0.294 3.663 3.960 -0.005 0.000 0.248 291 G HA3 -0.294 3.663 3.960 -0.005 0.000 0.248 291 G C 0.559 175.425 174.900 -0.058 0.000 0.991 291 G CA 0.835 45.902 45.100 -0.055 0.000 0.689 291 G HN 0.418 nan 8.290 nan 0.000 0.522 292 T N -3.943 110.573 114.554 -0.064 0.000 3.339 292 T HA 0.696 5.043 4.350 -0.005 0.000 0.292 292 T C 1.863 176.511 174.700 -0.086 0.000 1.012 292 T CA 1.023 63.084 62.100 -0.066 0.000 0.937 292 T CB 0.805 69.637 68.868 -0.060 0.000 1.164 292 T HN 1.276 nan 8.240 nan 0.000 0.509 293 A N 1.425 124.189 122.820 -0.093 0.000 1.902 293 A HA 0.074 4.391 4.320 -0.005 0.000 0.217 293 A C 2.297 179.829 177.584 -0.087 0.000 1.181 293 A CA 1.610 53.574 52.037 -0.122 0.000 0.623 293 A CB -1.033 17.893 19.000 -0.123 0.000 0.818 293 A HN 0.412 nan 8.150 nan 0.000 0.443 294 V N -0.084 119.799 119.914 -0.053 0.000 2.287 294 V HA -0.299 3.818 4.120 -0.005 0.000 0.248 294 V C 3.074 179.170 176.094 0.003 0.000 1.053 294 V CA 2.123 64.415 62.300 -0.013 0.000 1.027 294 V CB -1.269 30.554 31.823 -0.001 0.000 0.646 294 V HN 0.635 nan 8.190 nan 0.000 0.447 295 A N -0.141 122.672 122.820 -0.012 0.000 1.902 295 A HA -0.134 4.184 4.320 -0.005 0.000 0.217 295 A C 2.439 180.013 177.584 -0.016 0.000 1.181 295 A CA 2.151 54.185 52.037 -0.004 0.000 0.623 295 A CB -0.850 18.142 19.000 -0.013 0.000 0.818 295 A HN 0.597 nan 8.150 nan 0.000 0.443 296 A N -0.150 122.641 122.820 -0.048 0.000 1.908 296 A HA 0.107 4.424 4.320 -0.005 0.000 0.218 296 A C 2.499 180.139 177.584 0.093 0.000 1.181 296 A CA 2.263 54.284 52.037 -0.027 0.000 0.627 296 A CB -0.993 17.848 19.000 -0.265 0.000 0.818 296 A HN 1.065 nan 8.150 nan 0.000 0.445 297 A N -0.324 122.524 122.820 0.047 0.000 1.873 297 A HA -0.150 4.167 4.320 -0.005 0.000 0.215 297 A C 1.947 179.608 177.584 0.128 0.000 1.186 297 A CA 1.635 53.730 52.037 0.097 0.000 0.616 297 A CB -0.512 18.520 19.000 0.054 0.000 0.823 297 A HN 0.627 nan 8.150 nan 0.000 0.442 298 E N -0.643 119.623 120.200 0.111 0.000 2.072 298 E HA -0.133 4.215 4.350 -0.005 0.000 0.191 298 E C 1.805 178.478 176.600 0.122 0.000 0.985 298 E CA 0.999 57.491 56.400 0.155 0.000 0.801 298 E CB -0.184 29.595 29.700 0.131 0.000 0.750 298 E HN 0.391 nan 8.360 nan 0.000 0.452 299 L N 0.204 121.434 121.223 0.013 0.000 2.109 299 L HA -0.017 4.320 4.340 -0.005 0.000 0.207 299 L C 2.415 179.168 176.870 -0.196 0.000 1.086 299 L CA 1.749 56.502 54.840 -0.145 0.000 0.760 299 L CB -1.297 40.515 42.059 -0.411 0.000 0.910 299 L HN 0.160 nan 8.230 nan 0.000 0.437 300 G N -1.435 107.318 108.800 -0.078 0.000 2.442 300 G HA2 -0.342 3.615 3.960 -0.005 0.000 0.219 300 G HA3 -0.342 3.615 3.960 -0.005 0.000 0.219 300 G C 1.781 176.721 174.900 0.066 0.000 1.141 300 G CA 0.790 45.862 45.100 -0.046 0.000 0.763 300 G HN 0.404 nan 8.290 nan 0.000 0.554 301 F N 1.811 121.738 119.950 -0.038 0.000 2.163 301 F HA 0.135 4.659 4.527 -0.005 0.000 0.297 301 F C 2.826 178.623 175.800 -0.006 0.000 1.094 301 F CA 1.002 58.982 58.000 -0.033 0.000 1.290 301 F CB 0.161 39.137 39.000 -0.039 0.000 1.017 301 F HN 0.235 nan 8.300 nan 0.000 0.483 302 A N 0.318 123.112 122.820 -0.044 0.000 2.019 302 A HA -0.069 4.248 4.320 -0.005 0.000 0.219 302 A C 2.135 179.735 177.584 0.027 0.000 1.164 302 A CA 1.337 53.331 52.037 -0.072 0.000 0.644 302 A CB -1.197 17.862 19.000 0.099 0.000 0.805 302 A HN 0.463 nan 8.150 nan 0.000 0.449 303 A N -1.970 120.878 122.820 0.047 0.000 2.206 303 A HA 0.397 4.715 4.320 -0.005 0.000 0.211 303 A C 1.675 179.286 177.584 0.045 0.000 1.158 303 A CA 1.393 53.489 52.037 0.097 0.000 0.761 303 A CB -0.583 18.393 19.000 -0.039 0.000 0.801 303 A HN 1.743 nan 8.150 nan 0.000 0.473 304 G N -2.656 106.138 108.800 -0.010 0.000 2.198 304 G HA2 0.238 4.195 3.960 -0.005 0.000 0.156 304 G HA3 0.238 4.195 3.960 -0.005 0.000 0.156 304 G C 0.380 175.296 174.900 0.027 0.000 1.012 304 G CA 0.041 45.130 45.100 -0.018 0.000 0.692 304 G HN 1.347 nan 8.290 nan 0.000 0.492 305 A N 0.112 122.981 122.820 0.080 0.000 2.448 305 A HA 0.543 4.860 4.320 -0.005 0.000 0.239 305 A C 1.014 178.743 177.584 0.243 0.000 1.080 305 A CA 1.008 53.124 52.037 0.132 0.000 0.779 305 A CB 0.326 19.406 19.000 0.134 0.000 1.026 305 A HN 0.180 nan 8.150 nan 0.000 0.499 306 D N -0.747 119.735 120.400 0.136 0.000 2.454 306 D HA 0.150 4.788 4.640 -0.005 0.000 0.214 306 D C 0.557 176.828 176.300 -0.049 0.000 1.088 306 D CA 0.524 54.590 54.000 0.109 0.000 0.855 306 D CB 0.514 41.332 40.800 0.032 0.000 1.025 306 D HN 0.552 nan 8.370 nan 0.000 0.502 307 R N 0.378 120.812 120.500 -0.110 0.000 2.643 307 R HA 0.566 4.904 4.340 -0.005 0.000 0.269 307 R C -1.902 174.291 176.300 -0.178 0.000 1.037 307 R CA -0.465 55.520 56.100 -0.192 0.000 0.894 307 R CB 1.812 32.047 30.300 -0.108 0.000 1.238 307 R HN -0.189 nan 8.270 nan 0.000 0.459 308 I N 2.351 122.809 120.570 -0.186 0.000 2.569 308 I HA 0.297 4.465 4.170 -0.005 0.000 0.290 308 I C -0.647 175.494 176.117 0.040 0.000 1.088 308 I CA -0.708 60.551 61.300 -0.068 0.000 1.047 308 I CB 2.366 40.312 38.000 -0.090 0.000 1.237 308 I HN 0.509 nan 8.210 nan 0.000 0.421 309 E N 4.221 124.432 120.200 0.019 0.000 2.175 309 E HA 0.696 5.044 4.350 -0.005 0.000 0.278 309 E C -0.136 176.397 176.600 -0.112 0.000 0.969 309 E CA -0.493 55.909 56.400 0.003 0.000 0.796 309 E CB 2.436 32.191 29.700 0.091 0.000 1.104 309 E HN 0.822 nan 8.360 nan 0.000 0.395 310 G N 0.984 109.713 108.800 -0.118 0.000 2.619 310 G HA2 0.467 4.424 3.960 -0.005 0.000 0.305 310 G HA3 0.467 4.424 3.960 -0.005 0.000 0.305 310 G C -1.335 173.454 174.900 -0.185 0.000 1.330 310 G CA -0.400 44.590 45.100 -0.185 0.000 0.789 310 G HN 0.591 nan 8.290 nan 0.000 0.487 311 C N -0.457 118.738 119.300 -0.175 0.000 2.707 311 C HA 0.671 5.128 4.460 -0.005 0.000 0.313 311 C C 0.324 175.219 174.990 -0.159 0.000 1.209 311 C CA -0.644 58.280 59.018 -0.156 0.000 1.635 311 C CB 0.992 28.676 27.740 -0.093 0.000 2.206 311 C HN 0.698 nan 8.230 nan 0.000 0.485 312 L N 2.322 123.443 121.223 -0.169 0.000 2.499 312 L HA 0.183 4.520 4.340 -0.005 0.000 0.273 312 L C 0.281 177.110 176.870 -0.068 0.000 1.195 312 L CA 0.460 55.177 54.840 -0.205 0.000 0.882 312 L CB -0.231 41.741 42.059 -0.144 0.000 1.133 312 L HN 0.841 nan 8.230 nan 0.000 0.483 313 F N 1.692 121.599 119.950 -0.073 0.000 3.084 313 F HA -0.261 4.263 4.527 -0.005 0.000 0.286 313 F C 1.498 177.314 175.800 0.027 0.000 0.855 313 F CA 0.714 58.628 58.000 -0.142 0.000 1.091 313 F CB -1.860 36.963 39.000 -0.295 0.000 1.177 313 F HN 0.878 nan 8.300 nan 0.000 0.542 314 G N 0.284 109.162 108.800 0.130 0.000 2.221 314 G HA2 -0.380 3.577 3.960 -0.005 0.000 0.265 314 G HA3 -0.380 3.577 3.960 -0.005 0.000 0.265 314 G C 0.031 174.977 174.900 0.077 0.000 1.041 314 G CA 0.290 45.452 45.100 0.103 0.000 0.807 314 G HN 0.671 nan 8.290 nan 0.000 0.502 315 N N 0.473 119.206 118.700 0.056 0.000 2.399 315 N HA 0.622 5.359 4.740 -0.005 0.000 0.250 315 N C 0.762 176.290 175.510 0.029 0.000 1.272 315 N CA 1.739 54.816 53.050 0.045 0.000 0.928 315 N CB 0.897 39.405 38.487 0.036 0.000 1.158 315 N HN 1.574 nan 8.380 nan 0.000 0.463 316 G N 0.406 109.238 108.800 0.053 0.000 2.361 316 G HA2 -0.025 3.933 3.960 -0.005 0.000 0.331 316 G HA3 -0.025 3.933 3.960 -0.005 0.000 0.331 316 G C -1.562 173.410 174.900 0.119 0.000 1.324 316 G CA -0.871 44.285 45.100 0.095 0.000 0.984 316 G HN 0.537 nan 8.290 nan 0.000 0.586 317 E N 1.007 121.294 120.200 0.144 0.000 2.568 317 E HA 0.105 4.453 4.350 -0.005 0.000 0.262 317 E C 1.489 178.111 176.600 0.037 0.000 0.961 317 E CA 0.992 57.420 56.400 0.047 0.000 0.945 317 E CB 0.369 30.029 29.700 -0.066 0.000 0.924 317 E HN 0.743 nan 8.360 nan 0.000 0.467 318 R N 0.327 120.836 120.500 0.015 0.000 3.937 318 R HA -0.311 4.026 4.340 -0.005 0.000 0.317 318 R C 1.667 177.982 176.300 0.025 0.000 0.307 318 R CA 2.387 58.492 56.100 0.008 0.000 1.084 318 R CB -1.988 28.302 30.300 -0.016 0.000 0.948 318 R HN 0.711 nan 8.270 nan 0.000 0.579 319 T N -0.203 114.371 114.554 0.034 0.000 3.100 319 T HA 0.386 4.733 4.350 -0.005 0.000 0.253 319 T C 0.902 175.637 174.700 0.059 0.000 1.118 319 T CA 0.850 62.969 62.100 0.032 0.000 1.058 319 T CB 0.615 69.492 68.868 0.014 0.000 0.953 319 T HN 1.232 nan 8.240 nan 0.000 0.515 320 G N 0.955 109.825 108.800 0.117 0.000 2.612 320 G HA2 -0.097 3.860 3.960 -0.005 0.000 0.686 320 G HA3 -0.097 3.860 3.960 -0.005 0.000 0.686 320 G C -1.099 173.844 174.900 0.072 0.000 1.274 320 G CA -0.924 44.240 45.100 0.106 0.000 0.849 320 G HN 0.409 nan 8.290 nan 0.000 0.595 321 N N -1.197 117.433 118.700 -0.115 0.000 2.445 321 N HA 0.364 5.101 4.740 -0.005 0.000 0.264 321 N C 0.658 176.022 175.510 -0.244 0.000 1.227 321 N CA -0.107 52.690 53.050 -0.422 0.000 0.963 321 N CB 1.992 40.218 38.487 -0.435 0.000 1.188 321 N HN 0.690 nan 8.380 nan 0.000 0.491 322 V N 1.103 120.849 119.914 -0.280 0.000 2.788 322 V HA -0.108 4.009 4.120 -0.005 0.000 0.307 322 V C 0.389 176.421 176.094 -0.103 0.000 1.069 322 V CA -0.227 61.981 62.300 -0.153 0.000 1.173 322 V CB 0.381 32.125 31.823 -0.131 0.000 0.925 322 V HN 0.763 nan 8.190 nan 0.000 0.492 323 C N 7.477 126.749 119.300 -0.046 0.000 2.555 323 C HA 0.285 4.742 4.460 -0.005 0.000 0.385 323 C C 1.564 176.498 174.990 -0.094 0.000 1.296 323 C CA -0.486 58.514 59.018 -0.031 0.000 1.757 323 C CB -1.552 26.250 27.740 0.102 0.000 2.445 323 C HN 0.994 nan 8.230 nan 0.000 0.571 324 L N 5.177 126.299 121.223 -0.169 0.000 2.201 324 L HA -0.076 4.261 4.340 -0.005 0.000 0.212 324 L C 2.307 178.985 176.870 -0.321 0.000 1.105 324 L CA 0.996 55.688 54.840 -0.245 0.000 0.775 324 L CB -0.344 41.547 42.059 -0.282 0.000 0.913 324 L HN 0.717 nan 8.230 nan 0.000 0.440 325 V N -0.768 118.925 119.914 -0.369 0.000 2.323 325 V HA -0.245 3.872 4.120 -0.005 0.000 0.244 325 V C 2.525 178.300 176.094 -0.532 0.000 1.041 325 V CA 2.258 64.207 62.300 -0.585 0.000 1.025 325 V CB -0.679 30.666 31.823 -0.797 0.000 0.656 325 V HN 0.442 nan 8.190 nan 0.000 0.451 326 T N 0.635 115.081 114.554 -0.181 0.000 2.684 326 T HA -0.167 4.180 4.350 -0.005 0.000 0.267 326 T C 1.913 176.587 174.700 -0.043 0.000 1.036 326 T CA 1.654 63.773 62.100 0.033 0.000 1.148 326 T CB -0.333 68.603 68.868 0.115 0.000 0.863 326 T HN 0.266 nan 8.240 nan 0.000 0.436 327 L N 0.514 121.700 121.223 -0.061 0.000 2.046 327 L HA -0.013 4.324 4.340 -0.005 0.000 0.208 327 L C 3.015 179.911 176.870 0.044 0.000 1.077 327 L CA 1.419 56.297 54.840 0.062 0.000 0.747 327 L CB -0.931 41.248 42.059 0.199 0.000 0.896 327 L HN 0.369 nan 8.230 nan 0.000 0.432 328 G N -0.170 108.496 108.800 -0.223 0.000 2.404 328 G HA2 -0.188 3.770 3.960 -0.005 0.000 0.215 328 G HA3 -0.188 3.770 3.960 -0.005 0.000 0.215 328 G C 1.588 176.329 174.900 -0.265 0.000 1.174 328 G CA 0.416 45.413 45.100 -0.172 0.000 0.780 328 G HN 0.227 nan 8.290 nan 0.000 0.537 329 L N 0.455 121.250 121.223 -0.714 0.000 2.291 329 L HA 0.030 4.367 4.340 -0.005 0.000 0.214 329 L C 2.405 179.088 176.870 -0.312 0.000 1.120 329 L CA 0.240 54.639 54.840 -0.735 0.000 0.799 329 L CB -0.250 40.801 42.059 -1.680 0.000 0.925 329 L HN 0.099 nan 8.230 nan 0.000 0.446 330 N N 0.009 118.651 118.700 -0.097 0.000 2.309 330 N HA -0.097 4.640 4.740 -0.005 0.000 0.182 330 N C 1.828 177.411 175.510 0.123 0.000 1.018 330 N CA 1.038 54.166 53.050 0.131 0.000 0.876 330 N CB -0.064 38.518 38.487 0.158 0.000 0.972 330 N HN 0.298 nan 8.380 nan 0.000 0.434 331 L N -1.005 120.296 121.223 0.130 0.000 2.049 331 L HA -0.023 4.314 4.340 -0.005 0.000 0.203 331 L C 2.060 179.016 176.870 0.143 0.000 1.074 331 L CA 0.639 55.575 54.840 0.161 0.000 0.749 331 L CB -0.539 41.657 42.059 0.229 0.000 0.907 331 L HN 0.031 nan 8.230 nan 0.000 0.439 332 F N 1.663 121.618 119.950 0.009 0.000 2.091 332 F HA -0.318 4.206 4.527 -0.005 0.000 0.299 332 F C 2.696 178.500 175.800 0.006 0.000 1.103 332 F CA 1.850 59.848 58.000 -0.003 0.000 1.228 332 F CB -0.429 38.540 39.000 -0.051 0.000 0.984 332 F HN 0.135 nan 8.300 nan 0.000 0.477 333 S N -0.430 115.185 115.700 -0.142 0.000 2.515 333 S HA -0.011 4.457 4.470 -0.005 0.000 0.231 333 S C 1.556 176.093 174.600 -0.106 0.000 0.987 333 S CA 0.344 58.438 58.200 -0.176 0.000 0.936 333 S CB -0.400 62.870 63.200 0.116 0.000 0.766 333 S HN 0.429 nan 8.310 nan 0.000 0.528 334 R N 0.571 121.035 120.500 -0.060 0.000 2.586 334 R HA 0.313 4.650 4.340 -0.005 0.000 0.336 334 R C 1.092 177.369 176.300 -0.038 0.000 1.060 334 R CA 0.447 56.532 56.100 -0.024 0.000 1.079 334 R CB 0.188 30.506 30.300 0.030 0.000 1.317 334 R HN 0.565 nan 8.270 nan 0.000 0.568 335 G N 0.776 109.516 108.800 -0.100 0.000 2.132 335 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.234 335 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.234 335 G C -0.086 174.811 174.900 -0.005 0.000 0.989 335 G CA 0.070 45.127 45.100 -0.073 0.000 0.676 335 G HN 0.133 nan 8.290 nan 0.000 0.522 336 V N 0.766 120.701 119.914 0.036 0.000 2.448 336 V HA 0.509 4.626 4.120 -0.005 0.000 0.295 336 V C -0.041 176.141 176.094 0.146 0.000 1.025 336 V CA -0.839 61.515 62.300 0.089 0.000 0.859 336 V CB 1.883 33.771 31.823 0.109 0.000 0.988 336 V HN 0.340 nan 8.190 nan 0.000 0.431 337 D N 7.311 127.795 120.400 0.140 0.000 2.371 337 D HA 0.200 4.838 4.640 -0.005 0.000 0.256 337 D C -1.264 175.150 176.300 0.191 0.000 1.193 337 D CA -1.748 52.353 54.000 0.168 0.000 0.881 337 D CB 1.772 42.639 40.800 0.112 0.000 1.143 337 D HN 0.271 nan 8.370 nan 0.000 0.473 338 P HA -0.071 nan 4.420 nan 0.000 0.241 338 P C -0.251 177.238 177.300 0.315 0.000 1.191 338 P CA 0.499 63.809 63.100 0.350 0.000 0.771 338 P CB 0.153 32.086 31.700 0.388 0.000 0.929 339 Q N -1.517 118.360 119.800 0.128 0.000 2.503 339 Q HA -0.129 4.208 4.340 -0.005 0.000 0.267 339 Q C -0.262 175.663 176.000 -0.125 0.000 1.030 339 Q CA 0.488 56.307 55.803 0.028 0.000 1.041 339 Q CB -1.433 27.347 28.738 0.071 0.000 1.406 339 Q HN 0.344 nan 8.270 nan 0.000 0.524 340 I N 0.243 120.654 120.570 -0.265 0.000 2.722 340 I HA 0.266 4.434 4.170 -0.005 0.000 0.295 340 I C -0.335 175.333 176.117 -0.748 0.000 1.161 340 I CA -0.737 60.167 61.300 -0.660 0.000 1.032 340 I CB 2.064 39.450 38.000 -1.024 0.000 1.244 340 I HN -0.067 nan 8.210 nan 0.000 0.421 341 D N 4.194 124.147 120.400 -0.746 0.000 2.280 341 D HA 0.401 5.038 4.640 -0.005 0.000 0.243 341 D C -0.313 175.546 176.300 -0.735 0.000 1.129 341 D CA 0.145 53.800 54.000 -0.575 0.000 0.848 341 D CB 0.527 41.117 40.800 -0.351 0.000 1.107 341 D HN 0.287 nan 8.370 nan 0.000 0.471 342 F N 1.782 121.558 119.950 -0.291 0.000 2.698 342 F HA 0.177 4.701 4.527 -0.004 0.000 0.304 342 F C 2.066 177.713 175.800 -0.254 0.000 1.108 342 F CA -0.419 57.416 58.000 -0.276 0.000 1.263 342 F CB 0.494 39.285 39.000 -0.349 0.000 1.013 342 F HN 0.285 nan 8.300 nan 0.000 0.532 343 S N 0.297 115.919 115.700 -0.131 0.000 2.419 343 S HA -0.190 4.278 4.470 -0.005 0.000 0.235 343 S C 1.047 175.601 174.600 -0.077 0.000 1.019 343 S CA 1.244 59.367 58.200 -0.129 0.000 0.982 343 S CB -0.287 62.837 63.200 -0.127 0.000 0.789 343 S HN 0.310 nan 8.310 nan 0.000 0.490 344 N N 0.285 118.956 118.700 -0.048 0.000 2.790 344 N HA 0.289 5.026 4.740 -0.005 0.000 0.256 344 N C 0.221 175.751 175.510 0.034 0.000 1.409 344 N CA -0.179 52.862 53.050 -0.015 0.000 0.799 344 N CB -0.009 38.462 38.487 -0.026 0.000 1.170 344 N HN 0.190 nan 8.380 nan 0.000 0.507 345 I N 0.537 121.150 120.570 0.073 0.000 2.493 345 I HA -0.171 3.996 4.170 -0.005 0.000 0.254 345 I C 1.050 177.260 176.117 0.155 0.000 1.160 345 I CA 1.174 62.569 61.300 0.158 0.000 1.445 345 I CB 0.334 38.455 38.000 0.203 0.000 1.086 345 I HN 0.343 nan 8.210 nan 0.000 0.433 346 D N 0.512 120.967 120.400 0.092 0.000 2.144 346 D HA -0.251 4.386 4.640 -0.005 0.000 0.199 346 D C 2.119 178.446 176.300 0.045 0.000 0.984 346 D CA 1.163 55.197 54.000 0.058 0.000 0.834 346 D CB 0.069 40.889 40.800 0.034 0.000 0.955 346 D HN 0.359 nan 8.370 nan 0.000 0.465 347 E N -0.074 120.149 120.200 0.039 0.000 2.051 347 E HA -0.166 4.182 4.350 -0.005 0.000 0.192 347 E C 2.134 178.770 176.600 0.060 0.000 0.991 347 E CA 0.695 57.112 56.400 0.028 0.000 0.799 347 E CB -0.001 29.703 29.700 0.008 0.000 0.748 347 E HN 0.328 nan 8.360 nan 0.000 0.449 348 I N 0.663 121.292 120.570 0.098 0.000 2.127 348 I HA -0.325 3.842 4.170 -0.005 0.000 0.241 348 I C 2.899 179.152 176.117 0.226 0.000 1.075 348 I CA 1.380 62.776 61.300 0.160 0.000 1.334 348 I CB -0.399 37.722 38.000 0.201 0.000 1.040 348 I HN 0.109 nan 8.210 nan 0.000 0.405 349 R N 1.128 121.757 120.500 0.216 0.000 2.073 349 R HA -0.225 4.112 4.340 -0.005 0.000 0.234 349 R C 2.723 179.013 176.300 -0.017 0.000 1.134 349 R CA 2.083 58.188 56.100 0.009 0.000 0.952 349 R CB -0.271 29.926 30.300 -0.172 0.000 0.850 349 R HN 0.296 nan 8.270 nan 0.000 0.433 350 R N 0.063 120.570 120.500 0.012 0.000 2.096 350 R HA -0.071 4.266 4.340 -0.005 0.000 0.235 350 R C 2.244 178.583 176.300 0.065 0.000 1.127 350 R CA 2.033 58.143 56.100 0.016 0.000 0.968 350 R CB -1.744 28.557 30.300 0.002 0.000 0.861 350 R HN 0.435 nan 8.270 nan 0.000 0.440 351 T N 0.204 114.806 114.554 0.080 0.000 2.770 351 T HA -0.073 4.275 4.350 -0.005 0.000 0.263 351 T C 2.184 176.975 174.700 0.152 0.000 1.039 351 T CA 1.436 63.612 62.100 0.126 0.000 1.142 351 T CB -0.227 68.699 68.868 0.096 0.000 0.868 351 T HN 0.200 nan 8.240 nan 0.000 0.435 352 V N 1.724 121.711 119.914 0.123 0.000 2.287 352 V HA -0.219 3.898 4.120 -0.005 0.000 0.248 352 V C 2.496 178.625 176.094 0.058 0.000 1.053 352 V CA 1.799 64.164 62.300 0.108 0.000 1.027 352 V CB -0.622 31.318 31.823 0.195 0.000 0.646 352 V HN 0.552 nan 8.190 nan 0.000 0.447 353 E N -1.067 119.152 120.200 0.031 0.000 2.077 353 E HA -0.261 4.087 4.350 -0.005 0.000 0.193 353 E C 2.118 178.751 176.600 0.055 0.000 0.989 353 E CA 1.732 58.138 56.400 0.010 0.000 0.800 353 E CB -0.274 29.414 29.700 -0.020 0.000 0.746 353 E HN 0.762 nan 8.360 nan 0.000 0.452 354 Y N 0.904 121.194 120.300 -0.016 0.000 2.145 354 Y HA -0.283 4.265 4.550 -0.004 0.000 0.286 354 Y C 2.245 178.142 175.900 -0.005 0.000 1.145 354 Y CA 1.317 59.413 58.100 -0.008 0.000 1.148 354 Y CB -0.553 37.905 38.460 -0.003 0.000 0.981 354 Y HN 0.048 nan 8.280 nan 0.000 0.507 355 C N 0.803 120.053 119.300 -0.084 0.000 2.453 355 C HA -0.143 4.314 4.460 -0.005 0.000 0.277 355 C C 2.357 177.254 174.990 -0.156 0.000 1.262 355 C CA 1.448 60.364 59.018 -0.171 0.000 1.718 355 C CB -1.215 26.517 27.740 -0.013 0.000 2.031 355 C HN 0.615 nan 8.230 nan 0.000 0.480 356 N N 0.086 118.740 118.700 -0.078 0.000 2.446 356 N HA -0.035 4.702 4.740 -0.005 0.000 0.179 356 N C 0.569 176.038 175.510 -0.068 0.000 1.054 356 N CA 0.497 53.511 53.050 -0.059 0.000 0.905 356 N CB -0.322 38.154 38.487 -0.019 0.000 0.973 356 N HN 0.427 nan 8.380 nan 0.000 0.448 357 Q N -0.395 119.354 119.800 -0.084 0.000 2.461 357 Q HA -0.186 4.152 4.340 -0.005 0.000 0.273 357 Q C -0.843 175.138 176.000 -0.033 0.000 1.163 357 Q CA 0.809 56.575 55.803 -0.062 0.000 0.929 357 Q CB -1.989 26.704 28.738 -0.076 0.000 1.334 357 Q HN 0.443 nan 8.270 nan 0.000 0.499 358 L N 0.650 121.858 121.223 -0.025 0.000 2.408 358 L HA 0.561 4.898 4.340 -0.005 0.000 0.268 358 L C -1.997 174.857 176.870 -0.026 0.000 0.986 358 L CA -1.969 52.862 54.840 -0.015 0.000 0.820 358 L CB 2.182 44.239 42.059 -0.004 0.000 1.303 358 L HN -0.159 nan 8.230 nan 0.000 0.411 359 P HA 0.151 nan 4.420 nan 0.000 0.277 359 P C -0.644 176.611 177.300 -0.075 0.000 1.240 359 P CA -0.355 62.713 63.100 -0.053 0.000 0.798 359 P CB 1.445 33.127 31.700 -0.029 0.000 0.979 360 V N 3.648 123.451 119.914 -0.184 0.000 2.508 360 V HA 0.024 4.141 4.120 -0.005 0.000 0.281 360 V C 1.231 177.278 176.094 -0.078 0.000 1.041 360 V CA -0.261 61.882 62.300 -0.262 0.000 1.016 360 V CB -0.528 30.892 31.823 -0.672 0.000 0.984 360 V HN 0.632 nan 8.190 nan 0.000 0.478 361 H N 3.483 122.539 119.070 -0.024 0.000 2.871 361 H HA 0.015 4.569 4.556 -0.004 0.000 0.355 361 H C 1.003 176.335 175.328 0.007 0.000 1.092 361 H CA 0.001 56.058 56.048 0.014 0.000 1.420 361 H CB 1.034 30.831 29.762 0.059 0.000 1.400 361 H HN 0.764 nan 8.280 nan 0.000 0.604 362 E N 2.785 122.639 120.200 -0.577 0.000 2.219 362 E HA -0.175 4.172 4.350 -0.005 0.000 0.198 362 E C 1.374 177.873 176.600 -0.169 0.000 0.998 362 E CA 1.318 57.506 56.400 -0.353 0.000 0.818 362 E CB 0.128 29.590 29.700 -0.396 0.000 0.741 362 E HN 0.529 nan 8.360 nan 0.000 0.477 363 R N -0.446 120.033 120.500 -0.035 0.000 2.432 363 R HA 0.136 4.473 4.340 -0.005 0.000 0.260 363 R C -0.172 176.196 176.300 0.112 0.000 0.935 363 R CA -0.194 55.955 56.100 0.082 0.000 1.080 363 R CB 0.067 30.459 30.300 0.154 0.000 1.155 363 R HN 0.262 nan 8.270 nan 0.000 0.531 364 H N 2.462 121.575 119.070 0.071 0.000 2.964 364 H HA 0.072 4.625 4.556 -0.004 0.000 0.328 364 H C -2.163 173.177 175.328 0.020 0.000 1.030 364 H CA -1.249 54.846 56.048 0.079 0.000 1.445 364 H CB 0.740 30.574 29.762 0.120 0.000 1.449 364 H HN -0.160 nan 8.280 nan 0.000 0.581 365 P HA -0.157 nan 4.420 nan 0.000 0.261 365 P C -0.504 176.882 177.300 0.144 0.000 1.173 365 P CA 0.894 63.940 63.100 -0.089 0.000 0.760 365 P CB 0.094 31.714 31.700 -0.133 0.000 0.783 366 Y N 1.127 121.463 120.300 0.061 0.000 3.035 366 Y HA -0.314 4.233 4.550 -0.005 0.000 0.474 366 Y C 1.965 177.968 175.900 0.172 0.000 1.222 366 Y CA 2.166 60.338 58.100 0.120 0.000 2.575 366 Y CB -2.362 36.163 38.460 0.109 0.000 0.874 366 Y HN 0.521 nan 8.280 nan 0.000 0.516 367 G N -0.210 108.808 108.800 0.363 0.000 2.939 367 G HA2 0.427 4.384 3.960 -0.005 0.000 0.216 367 G HA3 0.427 4.384 3.960 -0.005 0.000 0.216 367 G C 0.923 175.846 174.900 0.039 0.000 1.125 367 G CA 0.373 45.637 45.100 0.274 0.000 0.766 367 G HN 0.708 nan 8.290 nan 0.000 0.541 368 G N 0.133 108.946 108.800 0.021 0.000 2.569 368 G HA2 0.325 4.282 3.960 -0.005 0.000 0.249 368 G HA3 0.325 4.282 3.960 -0.005 0.000 0.249 368 G C 0.368 175.225 174.900 -0.072 0.000 1.216 368 G CA -0.186 44.889 45.100 -0.041 0.000 0.845 368 G HN -0.040 nan 8.290 nan 0.000 0.568 369 D N 0.320 120.672 120.400 -0.080 0.000 2.133 369 D HA -0.123 4.514 4.640 -0.005 0.000 0.195 369 D C 2.304 178.573 176.300 -0.052 0.000 0.997 369 D CA 1.103 55.070 54.000 -0.055 0.000 0.840 369 D CB 0.107 40.870 40.800 -0.062 0.000 0.947 369 D HN 0.293 nan 8.370 nan 0.000 0.452 370 L N 0.468 121.646 121.223 -0.075 0.000 2.607 370 L HA 0.077 4.414 4.340 -0.005 0.000 0.228 370 L C 2.046 178.842 176.870 -0.123 0.000 1.123 370 L CA -0.055 54.743 54.840 -0.069 0.000 0.890 370 L CB 0.317 42.369 42.059 -0.011 0.000 1.103 370 L HN -0.056 nan 8.230 nan 0.000 0.468 371 V N -3.667 116.107 119.914 -0.234 0.000 2.970 371 V HA -0.167 3.950 4.120 -0.005 0.000 0.260 371 V C 1.157 176.961 176.094 -0.484 0.000 1.100 371 V CA 1.078 63.141 62.300 -0.395 0.000 1.122 371 V CB -0.984 30.514 31.823 -0.542 0.000 0.721 371 V HN 0.400 nan 8.190 nan 0.000 0.483 372 Y N 0.434 120.761 120.300 0.045 0.000 2.751 372 Y HA 0.512 5.060 4.550 -0.004 0.000 0.289 372 Y C 0.761 176.727 175.900 0.109 0.000 1.110 372 Y CA -0.437 57.728 58.100 0.108 0.000 1.251 372 Y CB 0.296 38.834 38.460 0.129 0.000 1.178 372 Y HN 0.077 nan 8.280 nan 0.000 0.540 373 T N 1.561 116.143 114.554 0.048 0.000 2.824 373 T HA 0.731 5.078 4.350 -0.005 0.000 0.280 373 T C -0.319 174.283 174.700 -0.164 0.000 0.995 373 T CA -0.638 61.367 62.100 -0.158 0.000 1.009 373 T CB 1.387 70.026 68.868 -0.383 0.000 0.955 373 T HN 0.270 nan 8.240 nan 0.000 0.452 374 A N 2.431 125.154 122.820 -0.162 0.000 2.311 374 A HA 0.711 5.028 4.320 -0.005 0.000 0.306 374 A C -0.058 177.402 177.584 -0.207 0.000 1.189 374 A CA -0.669 51.333 52.037 -0.059 0.000 0.791 374 A CB 0.346 19.477 19.000 0.219 0.000 1.172 374 A HN 0.916 nan 8.150 nan 0.000 0.481 375 F N 1.577 121.527 119.950 0.001 0.000 2.714 375 F HA 0.112 4.636 4.527 -0.005 0.000 0.294 375 F C 1.714 177.466 175.800 -0.080 0.000 1.120 375 F CA 0.624 58.600 58.000 -0.039 0.000 1.398 375 F CB 0.661 39.631 39.000 -0.050 0.000 1.120 375 F HN 0.536 nan 8.300 nan 0.000 0.589 376 S N 0.513 116.216 115.700 0.005 0.000 2.474 376 S HA 0.300 4.768 4.470 -0.005 0.000 0.276 376 S C 1.429 175.981 174.600 -0.081 0.000 1.227 376 S CA -0.074 58.035 58.200 -0.151 0.000 1.050 376 S CB 1.229 64.087 63.200 -0.570 0.000 0.939 376 S HN 0.359 nan 8.310 nan 0.000 0.490 377 G N 3.859 112.636 108.800 -0.038 0.000 2.469 377 G HA2 -0.198 3.759 3.960 -0.005 0.000 0.219 377 G HA3 -0.198 3.759 3.960 -0.005 0.000 0.219 377 G C 1.502 176.409 174.900 0.011 0.000 1.150 377 G CA 1.130 46.230 45.100 0.001 0.000 0.763 377 G HN 0.734 nan 8.290 nan 0.000 0.561 378 S N -0.276 115.411 115.700 -0.021 0.000 2.368 378 S HA -0.069 4.398 4.470 -0.005 0.000 0.224 378 S C 1.912 176.587 174.600 0.124 0.000 1.029 378 S CA 1.053 59.279 58.200 0.043 0.000 0.988 378 S CB -0.437 62.789 63.200 0.043 0.000 0.838 378 S HN 0.677 nan 8.310 nan 0.000 0.462 379 H N 1.073 120.062 119.070 -0.136 0.000 2.357 379 H HA -0.050 4.503 4.556 -0.005 0.000 0.301 379 H C 2.486 177.798 175.328 -0.027 0.000 1.082 379 H CA 1.151 57.036 56.048 -0.271 0.000 1.342 379 H CB -0.030 29.401 29.762 -0.552 0.000 1.389 379 H HN 0.433 nan 8.280 nan 0.000 0.511 380 Q N 0.403 120.295 119.800 0.153 0.000 2.096 380 Q HA -0.191 4.147 4.340 -0.005 0.000 0.204 380 Q C 1.901 177.984 176.000 0.138 0.000 0.982 380 Q CA 1.775 57.687 55.803 0.181 0.000 0.850 380 Q CB -0.014 28.817 28.738 0.155 0.000 0.901 380 Q HN 0.431 nan 8.270 nan 0.000 0.422 381 D N 0.012 120.476 120.400 0.107 0.000 2.117 381 D HA -0.145 4.492 4.640 -0.005 0.000 0.197 381 D C 1.744 178.091 176.300 0.079 0.000 0.987 381 D CA 1.447 55.497 54.000 0.082 0.000 0.829 381 D CB -0.038 40.803 40.800 0.068 0.000 0.961 381 D HN 0.248 nan 8.370 nan 0.000 0.460 382 A N -0.027 122.866 122.820 0.121 0.000 1.930 382 A HA -0.051 4.266 4.320 -0.005 0.000 0.217 382 A C 2.388 180.001 177.584 0.048 0.000 1.175 382 A CA 0.956 53.061 52.037 0.112 0.000 0.627 382 A CB -0.752 18.394 19.000 0.244 0.000 0.815 382 A HN 0.370 nan 8.150 nan 0.000 0.443 383 I N 0.290 120.897 120.570 0.063 0.000 2.163 383 I HA -0.300 3.868 4.170 -0.005 0.000 0.243 383 I C 2.152 178.214 176.117 -0.091 0.000 1.085 383 I CA 1.312 62.569 61.300 -0.072 0.000 1.347 383 I CB -0.388 37.502 38.000 -0.184 0.000 1.044 383 I HN 0.328 nan 8.210 nan 0.000 0.408 384 N N 0.799 119.494 118.700 -0.009 0.000 2.188 384 N HA -0.137 4.600 4.740 -0.005 0.000 0.184 384 N C 1.758 177.253 175.510 -0.025 0.000 1.018 384 N CA 1.121 54.174 53.050 0.004 0.000 0.858 384 N CB -0.123 38.395 38.487 0.053 0.000 0.989 384 N HN 0.400 nan 8.380 nan 0.000 0.426 385 K N 0.260 120.644 120.400 -0.026 0.000 2.097 385 K HA -0.026 4.291 4.320 -0.005 0.000 0.205 385 K C 2.072 178.623 176.600 -0.083 0.000 1.050 385 K CA 1.075 57.338 56.287 -0.040 0.000 0.938 385 K CB -0.226 32.258 32.500 -0.026 0.000 0.718 385 K HN 0.156 nan 8.250 nan 0.000 0.442 386 G N 1.453 110.178 108.800 -0.125 0.000 2.421 386 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.216 386 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.216 386 G C 1.469 176.231 174.900 -0.229 0.000 1.171 386 G CA 0.559 45.536 45.100 -0.206 0.000 0.775 386 G HN 0.095 nan 8.290 nan 0.000 0.543 387 L N 0.457 121.556 121.223 -0.206 0.000 2.131 387 L HA -0.036 4.301 4.340 -0.005 0.000 0.210 387 L C 2.437 179.254 176.870 -0.089 0.000 1.092 387 L CA 0.997 55.739 54.840 -0.163 0.000 0.759 387 L CB -0.278 41.730 42.059 -0.085 0.000 0.903 387 L HN 0.086 nan 8.230 nan 0.000 0.435 388 D N 0.382 120.742 120.400 -0.067 0.000 2.117 388 D HA -0.016 4.621 4.640 -0.005 0.000 0.198 388 D C 1.323 177.594 176.300 -0.049 0.000 0.982 388 D CA 1.022 54.998 54.000 -0.040 0.000 0.828 388 D CB -0.147 40.637 40.800 -0.027 0.000 0.967 388 D HN 0.291 nan 8.370 nan 0.000 0.464 392 L N 1.566 122.778 121.223 -0.017 0.000 2.005 392 L HA -0.123 4.215 4.340 -0.005 0.000 0.207 392 L C 1.960 178.821 176.870 -0.014 0.000 1.072 392 L CA 1.993 56.824 54.840 -0.015 0.000 0.744 392 L CB -0.263 41.784 42.059 -0.020 0.000 0.895 392 L HN 0.451 nan 8.230 nan 0.000 0.433 393 D N 0.050 120.438 120.400 -0.020 0.000 2.182 393 D HA -0.176 4.461 4.640 -0.005 0.000 0.201 393 D C 2.074 178.369 176.300 -0.008 0.000 0.986 393 D CA 1.453 55.443 54.000 -0.017 0.000 0.847 393 D CB 0.017 40.803 40.800 -0.024 0.000 0.942 393 D HN 0.357 nan 8.370 nan 0.000 0.467 394 A N 0.656 123.474 122.820 -0.004 0.000 1.930 394 A HA -0.117 4.200 4.320 -0.005 0.000 0.215 394 A C 1.818 179.405 177.584 0.006 0.000 1.176 394 A CA 1.151 53.192 52.037 0.005 0.000 0.632 394 A CB -0.106 18.902 19.000 0.013 0.000 0.819 394 A HN -0.021 nan 8.150 nan 0.000 0.445 395 D N 0.334 120.736 120.400 0.003 0.000 2.117 395 D HA -0.022 4.615 4.640 -0.005 0.000 0.198 395 D C 2.168 178.469 176.300 0.001 0.000 0.982 395 D CA 1.478 55.480 54.000 0.003 0.000 0.828 395 D CB -0.380 40.421 40.800 0.002 0.000 0.967 395 D HN 0.390 nan 8.370 nan 0.000 0.464 396 A N 0.487 123.306 122.820 -0.001 0.000 2.070 396 A HA 0.066 4.383 4.320 -0.005 0.000 0.220 396 A C 1.978 179.562 177.584 -0.001 0.000 1.159 396 A CA 1.700 53.735 52.037 -0.002 0.000 0.656 396 A CB -0.173 18.823 19.000 -0.006 0.000 0.800 396 A HN 0.209 nan 8.150 nan 0.000 0.453 397 A N -2.194 120.626 122.820 0.000 0.000 2.465 397 A HA 0.443 4.761 4.320 -0.005 0.000 0.255 397 A C 0.913 178.499 177.584 0.004 0.000 1.274 397 A CA 1.484 53.521 52.037 0.001 0.000 0.920 397 A CB -0.886 18.115 19.000 0.002 0.000 1.033 397 A HN 1.532 nan 8.150 nan 0.000 0.516 398 D N -1.713 118.690 120.400 0.004 0.000 2.983 398 D HA -0.201 4.436 4.640 -0.005 0.000 0.225 398 D C 0.244 176.549 176.300 0.008 0.000 1.174 398 D CA 1.177 55.180 54.000 0.006 0.000 0.831 398 D CB -2.579 38.224 40.800 0.004 0.000 1.104 398 D HN 0.580 nan 8.370 nan 0.000 0.421 399 C N 0.306 119.612 119.300 0.010 0.000 2.349 399 C HA 0.694 5.151 4.460 -0.005 0.000 0.361 399 C C 0.539 175.540 174.990 0.019 0.000 1.189 399 C CA -0.730 58.297 59.018 0.015 0.000 2.155 399 C CB 1.673 29.423 27.740 0.016 0.000 2.336 399 C HN 0.659 nan 8.230 nan 0.000 0.540 400 D N 0.546 120.960 120.400 0.023 0.000 2.350 400 D HA 0.133 4.770 4.640 -0.005 0.000 0.249 400 D C 1.133 177.457 176.300 0.040 0.000 1.119 400 D CA -0.148 53.869 54.000 0.029 0.000 0.886 400 D CB 1.325 42.142 40.800 0.029 0.000 1.195 400 D HN 0.352 nan 8.370 nan 0.000 0.437 401 V N 1.805 121.746 119.914 0.046 0.000 2.490 401 V HA -0.197 3.921 4.120 -0.005 0.000 0.250 401 V C 1.416 177.567 176.094 0.095 0.000 1.061 401 V CA 1.396 63.735 62.300 0.064 0.000 1.064 401 V CB -0.508 31.357 31.823 0.069 0.000 0.670 401 V HN 0.430 nan 8.190 nan 0.000 0.461 402 D N 0.260 120.710 120.400 0.084 0.000 2.378 402 D HA 0.005 4.642 4.640 -0.005 0.000 0.222 402 D C 0.600 176.945 176.300 0.076 0.000 0.980 402 D CA 0.773 54.824 54.000 0.086 0.000 0.907 402 D CB -0.139 40.695 40.800 0.056 0.000 0.899 402 D HN 0.594 nan 8.370 nan 0.000 0.527 406 W N 6.288 127.563 121.300 -0.042 0.000 2.368 406 W HA 0.323 4.980 4.660 -0.005 0.000 0.316 406 W C -0.956 175.535 176.519 -0.047 0.000 1.375 406 W CA 0.073 57.394 57.345 -0.040 0.000 1.261 406 W CB 1.135 30.572 29.460 -0.038 0.000 1.298 406 W HN 0.579 nan 8.180 nan 0.000 0.539 407 Q N 5.897 125.353 119.800 -0.573 0.000 3.429 407 Q HA 0.221 4.559 4.340 -0.005 0.000 0.237 407 Q C -1.369 174.258 176.000 -0.623 0.000 0.932 407 Q CA -0.280 55.248 55.803 -0.458 0.000 0.731 407 Q CB 1.372 29.957 28.738 -0.254 0.000 1.383 407 Q HN 0.282 nan 8.270 nan 0.000 0.446 408 V N 2.231 121.688 119.914 -0.762 0.000 2.524 408 V HA 0.364 4.481 4.120 -0.005 0.000 0.297 408 V C -2.330 173.557 176.094 -0.344 0.000 1.035 408 V CA -1.878 60.044 62.300 -0.630 0.000 0.867 408 V CB 2.141 33.394 31.823 -0.949 0.000 1.004 408 V HN 0.347 nan 8.190 nan 0.000 0.426 409 P HA 0.139 nan 4.420 nan 0.000 0.264 409 P C -0.185 176.961 177.300 -0.256 0.000 1.183 409 P CA 0.734 63.591 63.100 -0.404 0.000 0.763 409 P CB -0.020 31.412 31.700 -0.447 0.000 0.807 410 Y N -0.877 119.361 120.300 -0.104 0.000 4.779 410 Y HA -0.215 4.332 4.550 -0.005 0.000 0.284 410 Y C 0.251 176.165 175.900 0.022 0.000 0.973 410 Y CA -0.034 58.010 58.100 -0.093 0.000 1.792 410 Y CB -1.557 36.791 38.460 -0.185 0.000 1.120 410 Y HN 0.193 nan 8.280 nan 0.000 0.450 411 L N 2.592 123.928 121.223 0.187 0.000 2.324 411 L HA 0.393 4.731 4.340 -0.005 0.000 0.274 411 L C -1.385 175.732 176.870 0.412 0.000 1.012 411 L CA -2.315 52.723 54.840 0.330 0.000 0.859 411 L CB 0.914 43.227 42.059 0.424 0.000 1.224 411 L HN -0.290 nan 8.230 nan 0.000 0.429 412 P HA -0.070 nan 4.420 nan 0.000 0.216 412 P C 0.280 177.751 177.300 0.286 0.000 1.150 412 P CA 1.312 64.568 63.100 0.261 0.000 0.837 412 P CB 0.301 32.108 31.700 0.177 0.000 0.786 413 I N -5.131 115.545 120.570 0.176 0.000 2.892 413 I HA 0.540 4.707 4.170 -0.005 0.000 0.306 413 I C -0.571 175.042 176.117 -0.840 0.000 1.078 413 I CA -1.614 59.529 61.300 -0.262 0.000 1.032 413 I CB 1.740 39.753 38.000 0.022 0.000 1.229 413 I HN -0.422 nan 8.210 nan 0.000 0.435 414 D N 4.551 123.911 120.400 -1.734 0.000 2.412 414 D HA 0.167 4.804 4.640 -0.005 0.000 0.257 414 D C -1.715 174.138 176.300 -0.744 0.000 1.217 414 D CA -1.822 51.173 54.000 -1.676 0.000 0.897 414 D CB 1.387 41.304 40.800 -1.471 0.000 1.132 414 D HN 0.326 nan 8.370 nan 0.000 0.493 415 P HA -0.167 nan 4.420 nan 0.000 0.219 415 P C 1.351 178.419 177.300 -0.386 0.000 1.146 415 P CA 1.704 64.386 63.100 -0.697 0.000 0.808 415 P CB 0.115 31.436 31.700 -0.632 0.000 0.779 416 R N 0.387 120.719 120.500 -0.280 0.000 2.152 416 R HA -0.152 4.185 4.340 -0.005 0.000 0.232 416 R C 1.737 177.943 176.300 -0.156 0.000 1.117 416 R CA 1.910 57.909 56.100 -0.167 0.000 0.981 416 R CB -2.207 28.029 30.300 -0.107 0.000 0.870 416 R HN 0.227 nan 8.270 nan 0.000 0.451 417 D N 0.094 120.379 120.400 -0.191 0.000 2.310 417 D HA -0.079 4.558 4.640 -0.005 0.000 0.212 417 D C 1.411 177.602 176.300 -0.182 0.000 0.965 417 D CA 1.828 55.748 54.000 -0.133 0.000 0.879 417 D CB 0.418 41.210 40.800 -0.012 0.000 0.921 417 D HN 0.484 nan 8.370 nan 0.000 0.510 418 V N -4.487 115.327 119.914 -0.166 0.000 3.070 418 V HA 0.598 4.715 4.120 -0.005 0.000 0.345 418 V C 1.153 177.209 176.094 -0.064 0.000 1.403 418 V CA 0.195 62.427 62.300 -0.114 0.000 1.155 418 V CB 0.309 32.096 31.823 -0.060 0.000 1.140 418 V HN 0.110 nan 8.190 nan 0.000 0.505 419 G N 0.864 109.615 108.800 -0.082 0.000 2.143 419 G HA2 -0.208 3.750 3.960 -0.005 0.000 0.249 419 G HA3 -0.208 3.750 3.960 -0.005 0.000 0.249 419 G C 0.356 175.231 174.900 -0.041 0.000 0.981 419 G CA 0.430 45.499 45.100 -0.051 0.000 0.665 419 G HN 0.612 nan 8.290 nan 0.000 0.528 420 R N -0.209 120.245 120.500 -0.077 0.000 2.843 420 R HA 0.825 5.162 4.340 -0.005 0.000 0.232 420 R C 0.272 176.523 176.300 -0.082 0.000 1.305 420 R CA 0.334 56.401 56.100 -0.055 0.000 1.096 420 R CB 0.754 31.024 30.300 -0.048 0.000 1.455 420 R HN 0.600 nan 8.270 nan 0.000 0.520 421 T N -2.326 112.211 114.554 -0.028 0.000 2.912 421 T HA 0.254 4.601 4.350 -0.005 0.000 0.299 421 T C -0.711 174.042 174.700 0.088 0.000 1.052 421 T CA -0.760 61.346 62.100 0.010 0.000 0.996 421 T CB 1.176 70.053 68.868 0.015 0.000 1.070 421 T HN 0.430 nan 8.240 nan 0.000 0.465 422 Y N 2.213 122.518 120.300 0.008 0.000 2.632 422 Y HA 0.298 4.845 4.550 -0.005 0.000 0.329 422 Y C 0.015 175.944 175.900 0.048 0.000 1.174 422 Y CA -0.453 57.690 58.100 0.072 0.000 1.469 422 Y CB 0.280 38.805 38.460 0.108 0.000 1.242 422 Y HN 0.716 nan 8.280 nan 0.000 0.540 423 E N 5.480 125.396 120.200 -0.473 0.000 2.141 423 E HA 0.505 4.853 4.350 -0.005 0.000 0.259 423 E C -0.971 175.180 176.600 -0.748 0.000 0.883 423 E CA -0.810 55.268 56.400 -0.537 0.000 0.744 423 E CB 1.112 30.669 29.700 -0.239 0.000 1.150 423 E HN 0.748 nan 8.360 nan 0.000 0.420 424 A N 3.787 126.105 122.820 -0.837 0.000 2.671 424 A HA 0.264 4.582 4.320 -0.005 0.000 0.306 424 A C 0.156 177.613 177.584 -0.212 0.000 1.473 424 A CA -0.390 51.394 52.037 -0.421 0.000 1.155 424 A CB -0.156 18.709 19.000 -0.225 0.000 1.123 424 A HN 0.388 nan 8.150 nan 0.000 0.545 425 V N 4.618 124.417 119.914 -0.192 0.000 2.546 425 V HA 0.237 4.354 4.120 -0.005 0.000 0.284 425 V C 0.461 176.612 176.094 0.096 0.000 1.050 425 V CA -0.443 61.833 62.300 -0.041 0.000 0.981 425 V CB 0.947 32.771 31.823 0.001 0.000 0.990 425 V HN 0.655 nan 8.190 nan 0.000 0.474 435 G N -0.138 108.651 108.800 -0.019 0.000 2.551 435 G HA2 0.401 4.358 3.960 -0.005 0.000 0.216 435 G HA3 0.401 4.358 3.960 -0.005 0.000 0.216 435 G C 1.362 176.274 174.900 0.020 0.000 1.137 435 G CA 0.905 45.999 45.100 -0.010 0.000 0.798 435 G HN 2.182 nan 8.290 nan 0.000 0.536 436 G N -0.497 108.320 108.800 0.027 0.000 2.212 436 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.255 436 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.255 436 G C 1.012 175.983 174.900 0.118 0.000 1.062 436 G CA 0.349 45.490 45.100 0.067 0.000 0.815 436 G HN 0.428 nan 8.290 nan 0.000 0.497 437 V N 0.293 120.262 119.914 0.091 0.000 2.255 437 V HA -0.140 3.977 4.120 -0.005 0.000 0.247 437 V C 3.263 179.422 176.094 0.107 0.000 1.051 437 V CA 3.255 65.632 62.300 0.128 0.000 1.018 437 V CB -1.095 30.812 31.823 0.140 0.000 0.641 437 V HN 1.058 nan 8.190 nan 0.000 0.445 438 A N -0.990 121.871 122.820 0.067 0.000 1.865 438 A HA -0.315 4.002 4.320 -0.005 0.000 0.217 438 A C 2.177 179.776 177.584 0.025 0.000 1.191 438 A CA 2.426 54.474 52.037 0.017 0.000 0.623 438 A CB -0.929 18.070 19.000 -0.003 0.000 0.826 438 A HN 0.680 nan 8.150 nan 0.000 0.444 439 Y N 0.315 120.599 120.300 -0.026 0.000 2.145 439 Y HA -0.038 4.509 4.550 -0.005 0.000 0.286 439 Y C 1.113 177.000 175.900 -0.022 0.000 1.145 439 Y CA 0.946 59.028 58.100 -0.031 0.000 1.148 439 Y CB -0.219 38.225 38.460 -0.027 0.000 0.981 439 Y HN 0.260 nan 8.280 nan 0.000 0.507 443 T N 1.757 116.056 114.554 -0.426 0.000 2.708 443 T HA -0.080 4.267 4.350 -0.005 0.000 0.266 443 T C 1.316 175.790 174.700 -0.377 0.000 1.037 443 T CA 1.678 63.497 62.100 -0.467 0.000 1.146 443 T CB -0.236 68.154 68.868 -0.796 0.000 0.865 443 T HN 0.541 nan 8.240 nan 0.000 0.435 444 D N -0.186 119.964 120.400 -0.416 0.000 2.305 444 D HA 0.023 4.660 4.640 -0.005 0.000 0.206 444 D C 1.317 177.050 176.300 -0.945 0.000 0.974 444 D CA 0.812 54.436 54.000 -0.626 0.000 0.871 444 D CB 0.049 40.451 40.800 -0.663 0.000 0.947 444 D HN 0.501 nan 8.370 nan 0.000 0.516 445 H N -1.527 117.345 119.070 -0.330 0.000 2.916 445 H HA 0.307 4.860 4.556 -0.004 0.000 0.262 445 H C 1.160 176.354 175.328 -0.223 0.000 1.178 445 H CA 0.444 56.254 56.048 -0.397 0.000 1.090 445 H CB 1.122 30.512 29.762 -0.619 0.000 1.657 445 H HN 0.077 nan 8.280 nan 0.000 0.601 446 G N 1.818 110.556 108.800 -0.105 0.000 2.187 446 G HA2 -0.291 3.666 3.960 -0.005 0.000 0.261 446 G HA3 -0.291 3.666 3.960 -0.005 0.000 0.261 446 G C 0.142 175.085 174.900 0.072 0.000 1.000 446 G CA 0.320 45.397 45.100 -0.038 0.000 0.718 446 G HN 0.299 nan 8.290 nan 0.000 0.519 447 L N 1.476 122.737 121.223 0.063 0.000 2.280 447 L HA 0.472 4.809 4.340 -0.005 0.000 0.287 447 L C 0.115 177.008 176.870 0.039 0.000 1.023 447 L CA -0.594 54.362 54.840 0.194 0.000 0.819 447 L CB 1.853 43.994 42.059 0.136 0.000 1.212 447 L HN 0.138 nan 8.230 nan 0.000 0.420 448 S N 5.197 120.902 115.700 0.008 0.000 2.415 448 S HA 0.454 4.921 4.470 -0.005 0.000 0.313 448 S C -0.001 174.402 174.600 -0.328 0.000 1.067 448 S CA -0.702 57.376 58.200 -0.204 0.000 1.099 448 S CB 0.212 63.206 63.200 -0.342 0.000 0.991 448 S HN 0.386 nan 8.310 nan 0.000 0.491 449 L N 3.685 124.693 121.223 -0.358 0.000 2.416 449 L HA 0.280 4.617 4.340 -0.005 0.000 0.272 449 L C -2.176 174.312 176.870 -0.638 0.000 1.161 449 L CA -1.992 52.501 54.840 -0.577 0.000 0.845 449 L CB -0.283 41.579 42.059 -0.328 0.000 1.119 449 L HN 0.241 nan 8.230 nan 0.000 0.464 450 P HA 0.014 nan 4.420 nan 0.000 0.267 450 P C 0.714 177.687 177.300 -0.545 0.000 1.200 450 P CA 0.107 62.753 63.100 -0.756 0.000 0.772 450 P CB 0.534 31.703 31.700 -0.884 0.000 0.855 451 R N 3.877 124.163 120.500 -0.355 0.000 2.096 451 R HA -0.223 4.114 4.340 -0.005 0.000 0.240 451 R C 2.114 178.317 176.300 -0.162 0.000 1.139 451 R CA 2.097 58.075 56.100 -0.205 0.000 0.952 451 R CB -1.754 28.474 30.300 -0.120 0.000 0.854 451 R HN 0.509 nan 8.270 nan 0.000 0.436 452 R N -0.421 120.007 120.500 -0.120 0.000 2.115 452 R HA 0.012 4.349 4.340 -0.005 0.000 0.230 452 R C 2.355 178.566 176.300 -0.148 0.000 1.111 452 R CA 1.152 57.263 56.100 0.017 0.000 0.976 452 R CB -0.422 30.074 30.300 0.327 0.000 0.870 452 R HN 0.381 nan 8.270 nan 0.000 0.445 453 L N 1.564 122.369 121.223 -0.696 0.000 2.056 453 L HA -0.169 4.169 4.340 -0.005 0.000 0.207 453 L C 1.938 178.679 176.870 -0.215 0.000 1.078 453 L CA 1.740 56.126 54.840 -0.757 0.000 0.749 453 L CB -0.591 40.728 42.059 -1.233 0.000 0.901 453 L HN 0.097 nan 8.230 nan 0.000 0.433 454 Q N -0.447 119.239 119.800 -0.190 0.000 2.077 454 Q HA -0.252 4.085 4.340 -0.005 0.000 0.206 454 Q C 2.233 178.266 176.000 0.056 0.000 0.989 454 Q CA 2.572 58.363 55.803 -0.021 0.000 0.853 454 Q CB -0.314 28.387 28.738 -0.062 0.000 0.907 454 Q HN 0.581 nan 8.270 nan 0.000 0.418 455 I N 0.412 120.995 120.570 0.022 0.000 2.113 455 I HA -0.307 3.860 4.170 -0.005 0.000 0.238 455 I C 2.519 178.697 176.117 0.101 0.000 1.070 455 I CA 1.334 62.667 61.300 0.054 0.000 1.332 455 I CB -0.400 37.632 38.000 0.054 0.000 1.044 455 I HN 0.300 nan 8.210 nan 0.000 0.402 456 E N 0.709 120.996 120.200 0.146 0.000 2.048 456 E HA -0.316 4.031 4.350 -0.005 0.000 0.202 456 E C 2.219 178.985 176.600 0.276 0.000 1.021 456 E CA 2.065 58.598 56.400 0.222 0.000 0.825 456 E CB -0.219 29.669 29.700 0.313 0.000 0.756 456 E HN 0.392 nan 8.360 nan 0.000 0.454 457 F N 1.252 121.301 119.950 0.166 0.000 2.234 457 F HA -0.110 4.414 4.527 -0.005 0.000 0.299 457 F C 2.480 178.365 175.800 0.142 0.000 1.087 457 F CA 1.713 59.844 58.000 0.219 0.000 1.340 457 F CB -0.414 38.768 39.000 0.302 0.000 1.031 457 F HN 0.053 nan 8.300 nan 0.000 0.500 458 S N -0.714 114.970 115.700 -0.026 0.000 2.558 458 S HA 0.069 4.537 4.470 -0.005 0.000 0.217 458 S C 1.817 176.350 174.600 -0.112 0.000 0.975 458 S CA 0.657 58.761 58.200 -0.161 0.000 0.912 458 S CB -0.620 62.547 63.200 -0.055 0.000 0.776 458 S HN 0.527 nan 8.310 nan 0.000 0.526 459 Q N 0.940 120.712 119.800 -0.046 0.000 2.204 459 Q HA 0.462 4.799 4.340 -0.005 0.000 0.198 459 Q C 2.499 178.474 176.000 -0.042 0.000 0.946 459 Q CA 1.087 56.875 55.803 -0.025 0.000 0.859 459 Q CB -1.634 27.116 28.738 0.020 0.000 0.946 459 Q HN 0.981 nan 8.270 nan 0.000 0.474 460 V N -0.229 119.661 119.914 -0.041 0.000 2.759 460 V HA 0.023 4.141 4.120 -0.005 0.000 0.256 460 V C 2.328 178.350 176.094 -0.119 0.000 1.080 460 V CA 1.913 64.188 62.300 -0.041 0.000 1.101 460 V CB -0.250 31.600 31.823 0.044 0.000 0.698 460 V HN 0.575 nan 8.190 nan 0.000 0.477 461 I N -0.507 119.918 120.570 -0.241 0.000 2.867 461 I HA -0.074 4.093 4.170 -0.005 0.000 0.265 461 I C 3.000 179.037 176.117 -0.134 0.000 1.162 461 I CA 1.138 62.285 61.300 -0.255 0.000 1.471 461 I CB -0.028 37.688 38.000 -0.474 0.000 1.123 461 I HN 0.512 nan 8.210 nan 0.000 0.440 462 Q N 1.155 120.891 119.800 -0.107 0.000 2.135 462 Q HA -0.278 4.059 4.340 -0.005 0.000 0.204 462 Q C 2.336 178.309 176.000 -0.044 0.000 0.981 462 Q CA 2.259 58.025 55.803 -0.062 0.000 0.856 462 Q CB -1.272 27.438 28.738 -0.047 0.000 0.902 462 Q HN 0.598 nan 8.270 nan 0.000 0.425 463 K N -0.333 120.041 120.400 -0.043 0.000 2.515 463 K HA 0.476 4.793 4.320 -0.005 0.000 0.196 463 K C 1.319 177.905 176.600 -0.023 0.000 1.038 463 K CA 1.124 57.395 56.287 -0.027 0.000 0.967 463 K CB -1.516 30.971 32.500 -0.021 0.000 0.780 463 K HN 1.173 nan 8.250 nan 0.000 0.483 475 V N 1.000 120.919 119.914 0.008 0.000 2.530 475 V HA 0.609 4.726 4.120 -0.005 0.000 0.282 475 V C 0.380 176.502 176.094 0.046 0.000 1.048 475 V CA 0.321 62.637 62.300 0.026 0.000 0.997 475 V CB 0.914 32.749 31.823 0.020 0.000 0.987 475 V HN 0.905 nan 8.190 nan 0.000 0.477 476 S N 4.635 120.371 115.700 0.060 0.000 2.596 476 S HA 0.347 4.814 4.470 -0.005 0.000 0.260 476 S C -1.510 173.156 174.600 0.111 0.000 1.336 476 S CA -0.272 57.973 58.200 0.074 0.000 0.993 476 S CB 0.301 63.544 63.200 0.071 0.000 0.923 476 S HN 0.727 nan 8.310 nan 0.000 0.567 477 P HA -0.038 nan 4.420 nan 0.000 0.215 477 P C 1.943 179.380 177.300 0.228 0.000 1.157 477 P CA 2.386 65.586 63.100 0.166 0.000 0.868 477 P CB -0.397 31.377 31.700 0.123 0.000 0.788 478 K N 0.502 121.014 120.400 0.187 0.000 2.063 478 K HA -0.164 4.153 4.320 -0.005 0.000 0.208 478 K C 1.284 178.027 176.600 0.239 0.000 1.048 478 K CA 1.445 57.864 56.287 0.221 0.000 0.928 478 K CB -1.534 31.056 32.500 0.149 0.000 0.713 478 K HN 0.355 nan 8.250 nan 0.000 0.442 482 D N 1.943 122.386 120.400 0.071 0.000 2.117 482 D HA -0.077 4.560 4.640 -0.005 0.000 0.197 482 D C 2.164 178.430 176.300 -0.058 0.000 0.987 482 D CA 2.213 56.184 54.000 -0.048 0.000 0.829 482 D CB -0.642 40.198 40.800 0.067 0.000 0.961 482 D HN 0.189 nan 8.370 nan 0.000 0.460 483 A N 0.147 123.021 122.820 0.089 0.000 1.969 483 A HA -0.118 4.199 4.320 -0.005 0.000 0.218 483 A C 2.073 179.758 177.584 0.169 0.000 1.169 483 A CA 0.702 52.830 52.037 0.151 0.000 0.635 483 A CB -0.855 18.290 19.000 0.241 0.000 0.810 483 A HN 0.237 nan 8.150 nan 0.000 0.445 484 F N 0.904 120.835 119.950 -0.031 0.000 2.084 484 F HA -0.046 4.478 4.527 -0.004 0.000 0.296 484 F C 2.568 178.127 175.800 -0.401 0.000 1.111 484 F CA 1.409 59.185 58.000 -0.373 0.000 1.224 484 F CB -0.337 38.301 39.000 -0.603 0.000 0.991 484 F HN 0.253 nan 8.300 nan 0.000 0.471 485 A N 0.383 122.890 122.820 -0.521 0.000 1.917 485 A HA -0.233 4.084 4.320 -0.005 0.000 0.219 485 A C 2.068 179.450 177.584 -0.337 0.000 1.182 485 A CA 2.484 54.201 52.037 -0.532 0.000 0.633 485 A CB -1.690 16.918 19.000 -0.654 0.000 0.819 485 A HN 0.524 nan 8.150 nan 0.000 0.448 486 E N -0.333 119.713 120.200 -0.256 0.000 2.204 486 E HA -0.162 4.185 4.350 -0.005 0.000 0.194 486 E C 1.824 178.287 176.600 -0.227 0.000 0.989 486 E CA 1.374 57.664 56.400 -0.183 0.000 0.824 486 E CB -0.516 29.118 29.700 -0.111 0.000 0.756 486 E HN 0.826 nan 8.360 nan 0.000 0.477 487 E N -1.910 118.090 120.200 -0.334 0.000 2.166 487 E HA 0.034 4.382 4.350 -0.005 0.000 0.192 487 E C 1.521 177.737 176.600 -0.639 0.000 0.967 487 E CA 0.737 56.833 56.400 -0.508 0.000 0.840 487 E CB 0.172 29.479 29.700 -0.656 0.000 0.795 487 E HN 0.714 nan 8.360 nan 0.000 0.470 488 Y N -0.584 119.430 120.300 -0.477 0.000 2.558 488 Y HA 0.157 4.705 4.550 -0.004 0.000 0.273 488 Y C 1.930 177.622 175.900 -0.347 0.000 1.100 488 Y CA 0.248 58.061 58.100 -0.478 0.000 1.276 488 Y CB 0.398 38.345 38.460 -0.855 0.000 1.196 488 Y HN -0.088 nan 8.280 nan 0.000 0.527 489 L N -1.651 119.442 121.223 -0.217 0.000 2.388 489 L HA 0.264 4.601 4.340 -0.005 0.000 0.209 489 L C 2.332 179.137 176.870 -0.108 0.000 1.061 489 L CA 0.837 55.593 54.840 -0.139 0.000 0.834 489 L CB -0.465 41.514 42.059 -0.133 0.000 1.029 489 L HN 0.083 nan 8.230 nan 0.000 0.473 490 A N 0.011 122.753 122.820 -0.131 0.000 1.903 490 A HA 0.157 4.474 4.320 -0.005 0.000 0.213 490 A C -1.282 176.256 177.584 -0.076 0.000 1.185 490 A CA 0.318 52.300 52.037 -0.092 0.000 0.628 490 A CB -1.563 17.379 19.000 -0.097 0.000 0.830 490 A HN 0.198 nan 8.150 nan 0.000 0.446 491 P HA 0.236 nan 4.420 nan 0.000 0.266 491 P C 0.105 177.371 177.300 -0.056 0.000 1.195 491 P CA 0.361 63.417 63.100 -0.073 0.000 0.768 491 P CB 1.220 32.866 31.700 -0.090 0.000 0.838 492 V N 2.647 122.536 119.914 -0.041 0.000 3.382 492 V HA 0.188 4.305 4.120 -0.005 0.000 0.296 492 V C 0.365 176.448 176.094 -0.019 0.000 1.529 492 V CA 0.297 62.580 62.300 -0.028 0.000 1.048 492 V CB -0.056 31.755 31.823 -0.020 0.000 0.878 492 V HN 0.499 nan 8.190 nan 0.000 0.442 493 R N 1.032 121.519 120.500 -0.022 0.000 2.673 493 R HA 0.404 4.742 4.340 -0.005 0.000 0.281 493 R C -2.122 174.172 176.300 -0.010 0.000 0.991 493 R CA -1.510 54.588 56.100 -0.004 0.000 0.896 493 R CB 1.884 32.187 30.300 0.005 0.000 1.201 493 R HN -0.140 nan 8.270 nan 0.000 0.457 494 P HA -0.035 nan 4.420 nan 0.000 0.241 494 P C -0.130 177.198 177.300 0.047 0.000 1.191 494 P CA 0.720 63.862 63.100 0.070 0.000 0.771 494 P CB 0.747 32.560 31.700 0.189 0.000 0.929 495 L N 0.303 121.489 121.223 -0.061 0.000 2.356 495 L HA 0.465 4.802 4.340 -0.005 0.000 0.277 495 L C -0.645 176.199 176.870 -0.042 0.000 0.996 495 L CA -0.758 54.024 54.840 -0.096 0.000 0.822 495 L CB 2.296 44.165 42.059 -0.317 0.000 1.256 495 L HN -0.189 nan 8.230 nan 0.000 0.413 496 E N 5.221 125.422 120.200 0.001 0.000 2.210 496 E HA 0.320 4.667 4.350 -0.005 0.000 0.266 496 E C -1.206 175.418 176.600 0.041 0.000 0.883 496 E CA -0.856 55.551 56.400 0.012 0.000 0.761 496 E CB 1.718 31.425 29.700 0.012 0.000 1.156 496 E HN 0.519 nan 8.360 nan 0.000 0.412 497 R N 6.387 126.912 120.500 0.042 0.000 2.229 497 R HA 0.209 4.546 4.340 -0.005 0.000 0.332 497 R C 0.409 176.719 176.300 0.017 0.000 0.989 497 R CA -0.456 55.678 56.100 0.056 0.000 0.842 497 R CB 0.478 30.802 30.300 0.039 0.000 1.119 497 R HN 0.628 nan 8.270 nan 0.000 0.456 498 I N 3.880 124.465 120.570 0.026 0.000 2.364 498 I HA 0.014 4.181 4.170 -0.005 0.000 0.241 498 I C 1.065 177.184 176.117 0.003 0.000 1.082 498 I CA 1.144 62.452 61.300 0.014 0.000 1.401 498 I CB -0.737 37.276 38.000 0.022 0.000 1.126 498 I HN 0.676 nan 8.210 nan 0.000 0.429 499 R N 1.378 121.884 120.500 0.010 0.000 2.747 499 R HA 0.550 4.887 4.340 -0.005 0.000 0.272 499 R C -1.514 174.794 176.300 0.014 0.000 1.032 499 R CA -0.766 55.335 56.100 0.002 0.000 0.896 499 R CB 1.668 31.973 30.300 0.009 0.000 1.253 499 R HN 0.112 nan 8.270 nan 0.000 0.461 500 Q N 1.445 121.253 119.800 0.013 0.000 2.578 500 Q HA 0.236 4.573 4.340 -0.005 0.000 0.284 500 Q C -1.848 174.203 176.000 0.085 0.000 0.960 500 Q CA -0.867 54.960 55.803 0.040 0.000 0.809 500 Q CB 1.590 30.319 28.738 -0.014 0.000 1.462 500 Q HN 0.801 nan 8.270 nan 0.000 0.392 501 H N 0.655 119.722 119.070 -0.005 0.000 2.511 501 H HA 0.634 5.187 4.556 -0.005 0.000 0.328 501 H C -1.253 174.072 175.328 -0.006 0.000 1.044 501 H CA -0.428 55.616 56.048 -0.007 0.000 1.212 501 H CB 1.278 31.041 29.762 0.002 0.000 1.428 501 H HN 0.413 nan 8.280 nan 0.000 0.483 502 V N 5.347 125.022 119.914 -0.398 0.000 2.383 502 V HA 0.125 4.242 4.120 -0.005 0.000 0.275 502 V C 0.010 175.822 176.094 -0.470 0.000 1.036 502 V CA -0.710 61.396 62.300 -0.323 0.000 0.889 502 V CB 1.104 32.816 31.823 -0.184 0.000 0.985 502 V HN 0.793 nan 8.190 nan 0.000 0.459 503 D N 4.588 124.794 120.400 -0.324 0.000 2.485 503 D HA 0.527 5.165 4.640 -0.005 0.000 0.229 503 D C 0.108 176.341 176.300 -0.112 0.000 1.101 503 D CA -0.121 53.748 54.000 -0.218 0.000 0.906 503 D CB 1.213 41.939 40.800 -0.123 0.000 1.019 503 D HN 0.704 nan 8.370 nan 0.000 0.516 504 A N 2.673 125.435 122.820 -0.097 0.000 2.309 504 A HA 0.697 5.014 4.320 -0.005 0.000 0.298 504 A C 0.464 178.025 177.584 -0.039 0.000 1.165 504 A CA -0.457 51.542 52.037 -0.063 0.000 0.821 504 A CB 0.769 19.733 19.000 -0.061 0.000 1.102 504 A HN 0.675 nan 8.150 nan 0.000 0.500 505 A N 1.999 124.801 122.820 -0.029 0.000 2.498 505 A HA 0.318 4.635 4.320 -0.005 0.000 0.239 505 A C 0.570 178.145 177.584 -0.015 0.000 1.068 505 A CA 0.140 52.166 52.037 -0.017 0.000 0.766 505 A CB -0.034 18.959 19.000 -0.013 0.000 1.003 505 A HN 0.827 nan 8.150 nan 0.000 0.497 506 D N 0.397 120.792 120.400 -0.009 0.000 2.103 506 D HA -0.025 4.612 4.640 -0.005 0.000 0.199 506 D C 0.112 176.409 176.300 -0.005 0.000 0.978 506 D CA 1.281 55.277 54.000 -0.007 0.000 0.829 506 D CB -0.021 40.777 40.800 -0.003 0.000 0.981 506 D HN 0.626 nan 8.370 nan 0.000 0.464 507 D N 1.450 121.848 120.400 -0.004 0.000 2.283 507 D HA 0.077 4.714 4.640 -0.005 0.000 0.248 507 D C -0.150 176.148 176.300 -0.004 0.000 1.072 507 D CA -0.184 53.814 54.000 -0.003 0.000 0.929 507 D CB 0.955 41.754 40.800 -0.001 0.000 1.182 507 D HN 0.003 nan 8.370 nan 0.000 0.433 508 D N -0.044 120.354 120.400 -0.003 0.000 2.424 508 D HA 0.250 4.888 4.640 -0.005 0.000 0.244 508 D C 1.468 177.766 176.300 -0.002 0.000 1.134 508 D CA 0.438 54.436 54.000 -0.003 0.000 0.881 508 D CB 1.304 42.103 40.800 -0.001 0.000 1.191 508 D HN 0.690 nan 8.370 nan 0.000 0.445 509 G N 1.695 110.492 108.800 -0.004 0.000 2.253 509 G HA2 -0.224 3.733 3.960 -0.005 0.000 0.251 509 G HA3 -0.224 3.733 3.960 -0.005 0.000 0.251 509 G C 0.803 175.702 174.900 -0.002 0.000 0.998 509 G CA 0.235 45.334 45.100 -0.002 0.000 0.621 509 G HN 0.818 nan 8.290 nan 0.000 0.524 510 G N -0.282 108.516 108.800 -0.004 0.000 2.683 510 G HA2 0.508 4.465 3.960 -0.005 0.000 0.260 510 G HA3 0.508 4.465 3.960 -0.005 0.000 0.260 510 G C 0.359 175.256 174.900 -0.005 0.000 1.238 510 G CA 0.809 45.907 45.100 -0.003 0.000 0.934 510 G HN 0.748 nan 8.290 nan 0.000 0.534 511 T N -0.136 114.416 114.554 -0.003 0.000 2.913 511 T HA 0.501 4.849 4.350 -0.005 0.000 0.287 511 T C 0.105 174.797 174.700 -0.013 0.000 1.008 511 T CA 0.004 62.102 62.100 -0.003 0.000 1.067 511 T CB 1.359 70.230 68.868 0.005 0.000 0.996 511 T HN 0.388 nan 8.240 nan 0.000 0.513 512 T N 2.532 117.074 114.554 -0.018 0.000 2.807 512 T HA 0.526 4.873 4.350 -0.005 0.000 0.279 512 T C -0.163 174.523 174.700 -0.023 0.000 0.993 512 T CA -0.621 61.460 62.100 -0.033 0.000 0.970 512 T CB 1.155 69.993 68.868 -0.049 0.000 0.950 512 T HN 0.518 nan 8.240 nan 0.000 0.441 513 S N 2.587 118.271 115.700 -0.027 0.000 2.593 513 S HA 0.757 5.224 4.470 -0.005 0.000 0.297 513 S C -0.657 173.929 174.600 -0.024 0.000 1.112 513 S CA -0.772 57.422 58.200 -0.010 0.000 1.043 513 S CB 1.255 64.456 63.200 0.003 0.000 1.054 513 S HN 0.675 nan 8.310 nan 0.000 0.516 514 I N 1.165 121.743 120.570 0.014 0.000 2.686 514 I HA 0.501 4.668 4.170 -0.005 0.000 0.295 514 I C -1.045 175.116 176.117 0.073 0.000 1.114 514 I CA -0.157 61.161 61.300 0.030 0.000 1.038 514 I CB 2.368 40.407 38.000 0.066 0.000 1.238 514 I HN 0.594 nan 8.210 nan 0.000 0.420 515 T N 5.827 120.435 114.554 0.090 0.000 2.841 515 T HA 0.827 5.174 4.350 -0.005 0.000 0.285 515 T C -1.063 173.709 174.700 0.121 0.000 0.991 515 T CA -0.330 61.834 62.100 0.107 0.000 0.966 515 T CB 1.024 69.955 68.868 0.105 0.000 0.962 515 T HN 0.698 nan 8.240 nan 0.000 0.438 516 A N 3.509 126.410 122.820 0.135 0.000 2.401 516 A HA 0.751 5.068 4.320 -0.005 0.000 0.310 516 A C -0.057 177.595 177.584 0.114 0.000 1.075 516 A CA -0.731 51.392 52.037 0.143 0.000 0.746 516 A CB 1.585 20.740 19.000 0.259 0.000 1.277 516 A HN 0.720 nan 8.150 nan 0.000 0.425 517 T N 2.086 116.693 114.554 0.089 0.000 2.733 517 T HA 0.530 4.877 4.350 -0.005 0.000 0.294 517 T C 0.195 174.943 174.700 0.081 0.000 0.956 517 T CA -0.119 62.023 62.100 0.070 0.000 0.987 517 T CB 0.300 69.197 68.868 0.047 0.000 0.920 517 T HN 1.267 nan 8.240 nan 0.000 0.470 518 V N 1.274 121.239 119.914 0.085 0.000 3.113 518 V HA 0.750 4.867 4.120 -0.005 0.000 0.316 518 V C -0.878 175.255 176.094 0.065 0.000 1.125 518 V CA -1.334 61.018 62.300 0.087 0.000 1.026 518 V CB 2.045 33.936 31.823 0.113 0.000 1.080 518 V HN 0.646 nan 8.190 nan 0.000 0.444 519 K N 1.822 122.257 120.400 0.059 0.000 2.323 519 K HA 0.673 4.990 4.320 -0.005 0.000 0.259 519 K C -1.328 175.314 176.600 0.070 0.000 0.947 519 K CA -0.471 55.848 56.287 0.053 0.000 0.819 519 K CB 2.157 34.679 32.500 0.038 0.000 1.109 519 K HN 0.648 nan 8.250 nan 0.000 0.429 520 I N 3.346 123.967 120.570 0.086 0.000 2.304 520 I HA 0.086 4.254 4.170 -0.005 0.000 0.291 520 I C 0.070 176.237 176.117 0.083 0.000 1.018 520 I CA -0.603 60.771 61.300 0.124 0.000 1.260 520 I CB 0.759 38.842 38.000 0.139 0.000 1.390 520 I HN 0.634 nan 8.210 nan 0.000 0.475 521 N N 5.740 124.489 118.700 0.082 0.000 2.707 521 N HA -0.228 4.509 4.740 -0.005 0.000 0.253 521 N C 0.979 176.510 175.510 0.035 0.000 0.998 521 N CA 1.170 54.251 53.050 0.052 0.000 0.751 521 N CB -0.699 37.816 38.487 0.047 0.000 0.920 521 N HN 1.197 nan 8.380 nan 0.000 0.539 522 G N -2.683 106.137 108.800 0.033 0.000 2.199 522 G HA2 -0.322 3.635 3.960 -0.005 0.000 0.254 522 G HA3 -0.322 3.635 3.960 -0.005 0.000 0.254 522 G C 0.017 174.932 174.900 0.025 0.000 0.982 522 G CA 0.261 45.375 45.100 0.024 0.000 0.632 522 G HN 0.434 nan 8.290 nan 0.000 0.529 523 V N 1.778 121.711 119.914 0.031 0.000 2.333 523 V HA 0.421 4.538 4.120 -0.005 0.000 0.274 523 V C 0.682 176.796 176.094 0.032 0.000 1.028 523 V CA -0.603 61.714 62.300 0.027 0.000 0.851 523 V CB 1.561 33.399 31.823 0.024 0.000 1.000 523 V HN 0.433 nan 8.190 nan 0.000 0.456 524 E N 3.573 123.789 120.200 0.027 0.000 2.417 524 E HA 0.267 4.614 4.350 -0.005 0.000 0.261 524 E C -0.093 176.525 176.600 0.031 0.000 1.000 524 E CA 0.201 56.619 56.400 0.030 0.000 0.919 524 E CB 0.680 30.394 29.700 0.024 0.000 0.955 524 E HN 0.824 nan 8.360 nan 0.000 0.455 525 T N 2.886 117.463 114.554 0.039 0.000 2.932 525 T HA 0.208 4.555 4.350 -0.005 0.000 0.318 525 T C -1.191 173.536 174.700 0.046 0.000 1.265 525 T CA -1.030 61.092 62.100 0.038 0.000 1.036 525 T CB 1.479 70.370 68.868 0.038 0.000 1.209 525 T HN 0.326 nan 8.240 nan 0.000 0.484 526 E N 2.883 123.106 120.200 0.040 0.000 2.301 526 E HA 0.547 4.894 4.350 -0.005 0.000 0.275 526 E C 0.118 176.746 176.600 0.047 0.000 1.030 526 E CA -0.449 55.979 56.400 0.047 0.000 0.852 526 E CB 1.554 31.277 29.700 0.039 0.000 1.060 526 E HN 0.781 nan 8.360 nan 0.000 0.401 527 I N -1.901 118.705 120.570 0.060 0.000 2.934 527 I HA 0.722 4.889 4.170 -0.005 0.000 0.306 527 I C -0.359 175.794 176.117 0.060 0.000 1.110 527 I CA -0.830 60.498 61.300 0.047 0.000 1.019 527 I CB 2.450 40.467 38.000 0.029 0.000 1.227 527 I HN 0.261 nan 8.210 nan 0.000 0.434 528 S N 1.798 117.525 115.700 0.045 0.000 2.537 528 S HA 0.918 5.385 4.470 -0.005 0.000 0.271 528 S C -0.823 173.805 174.600 0.047 0.000 1.148 528 S CA 0.032 58.265 58.200 0.055 0.000 0.868 528 S CB 1.842 65.072 63.200 0.050 0.000 1.115 528 S HN 1.424 nan 8.310 nan 0.000 0.461 529 G N 1.360 110.193 108.800 0.056 0.000 2.601 529 G HA2 0.612 4.569 3.960 -0.005 0.000 0.291 529 G HA3 0.612 4.569 3.960 -0.005 0.000 0.291 529 G C -1.596 173.340 174.900 0.060 0.000 1.456 529 G CA -0.456 44.683 45.100 0.064 0.000 0.804 529 G HN 0.812 nan 8.290 nan 0.000 0.499 530 S N -1.628 114.123 115.700 0.085 0.000 2.599 530 S HA 0.996 5.463 4.470 -0.005 0.000 0.294 530 S C 0.184 174.854 174.600 0.116 0.000 1.094 530 S CA 0.013 58.256 58.200 0.070 0.000 0.931 530 S CB 1.994 65.229 63.200 0.059 0.000 1.093 530 S HN 1.914 nan 8.310 nan 0.000 0.488 531 G N 0.862 109.690 108.800 0.046 0.000 2.340 531 G HA2 0.266 4.224 3.960 -0.005 0.000 0.299 531 G HA3 0.266 4.224 3.960 -0.005 0.000 0.299 531 G C -0.662 174.235 174.900 -0.006 0.000 1.291 531 G CA -0.683 44.438 45.100 0.035 0.000 0.841 531 G HN 0.457 nan 8.290 nan 0.000 0.500 532 N N -0.278 118.414 118.700 -0.015 0.000 2.512 532 N HA 0.259 4.997 4.740 -0.005 0.000 0.183 532 N C 0.849 176.331 175.510 -0.047 0.000 1.073 532 N CA 1.310 54.346 53.050 -0.023 0.000 0.911 532 N CB 0.488 38.965 38.487 -0.017 0.000 0.964 532 N HN 0.968 nan 8.380 nan 0.000 0.447 533 G N -1.017 107.738 108.800 -0.074 0.000 2.606 533 G HA2 0.297 4.254 3.960 -0.005 0.000 0.300 533 G HA3 0.297 4.254 3.960 -0.005 0.000 0.300 533 G C -2.285 172.556 174.900 -0.099 0.000 1.360 533 G CA -0.689 44.360 45.100 -0.086 0.000 0.783 533 G HN -0.223 nan 8.290 nan 0.000 0.484 534 P HA -0.027 nan 4.420 nan 0.000 0.219 534 P C 1.967 179.220 177.300 -0.078 0.000 1.150 534 P CA 0.492 63.539 63.100 -0.088 0.000 0.814 534 P CB 0.339 31.979 31.700 -0.100 0.000 0.787 535 L N 0.009 121.160 121.223 -0.120 0.000 2.072 535 L HA 0.080 4.418 4.340 -0.005 0.000 0.205 535 L C 2.442 179.239 176.870 -0.122 0.000 1.079 535 L CA 1.843 56.618 54.840 -0.108 0.000 0.752 535 L CB -1.530 40.398 42.059 -0.218 0.000 0.906 535 L HN -0.110 nan 8.230 nan 0.000 0.436 536 A N -0.212 122.482 122.820 -0.210 0.000 1.877 536 A HA -0.078 4.239 4.320 -0.005 0.000 0.216 536 A C 2.472 179.728 177.584 -0.547 0.000 1.186 536 A CA 1.757 53.551 52.037 -0.405 0.000 0.620 536 A CB -1.241 17.556 19.000 -0.338 0.000 0.822 536 A HN 0.567 nan 8.150 nan 0.000 0.443 537 A N -1.232 121.437 122.820 -0.252 0.000 1.908 537 A HA -0.121 4.196 4.320 -0.005 0.000 0.218 537 A C 2.065 179.632 177.584 -0.028 0.000 1.181 537 A CA 1.815 53.780 52.037 -0.120 0.000 0.627 537 A CB -0.710 18.271 19.000 -0.032 0.000 0.818 537 A HN 0.708 nan 8.150 nan 0.000 0.445 538 F N 0.924 120.787 119.950 -0.146 0.000 2.206 538 F HA -0.103 4.421 4.527 -0.004 0.000 0.298 538 F C 2.323 178.083 175.800 -0.066 0.000 1.090 538 F CA 1.708 59.657 58.000 -0.086 0.000 1.323 538 F CB -0.282 38.667 39.000 -0.084 0.000 1.028 538 F HN 0.120 nan 8.300 nan 0.000 0.492 539 V N -1.552 118.274 119.914 -0.148 0.000 2.407 539 V HA -0.281 3.836 4.120 -0.005 0.000 0.248 539 V C 2.099 178.168 176.094 -0.043 0.000 1.055 539 V CA 2.429 64.630 62.300 -0.165 0.000 1.049 539 V CB -1.537 30.240 31.823 -0.077 0.000 0.662 539 V HN 0.498 nan 8.190 nan 0.000 0.455 540 H N 0.904 119.927 119.070 -0.077 0.000 2.428 540 H HA 0.189 4.743 4.556 -0.005 0.000 0.296 540 H C 2.490 177.774 175.328 -0.074 0.000 1.062 540 H CA 0.885 56.898 56.048 -0.059 0.000 1.350 540 H CB -0.024 29.719 29.762 -0.033 0.000 1.403 540 H HN 0.574 nan 8.280 nan 0.000 0.533 541 A N 1.154 123.977 122.820 0.005 0.000 1.972 541 A HA -0.111 4.206 4.320 -0.005 0.000 0.219 541 A C 2.232 179.764 177.584 -0.087 0.000 1.169 541 A CA 0.979 52.992 52.037 -0.040 0.000 0.635 541 A CB -0.597 18.377 19.000 -0.043 0.000 0.810 541 A HN 0.302 nan 8.150 nan 0.000 0.446 542 L N -0.861 120.255 121.223 -0.178 0.000 2.291 542 L HA -0.114 4.224 4.340 -0.005 0.000 0.214 542 L C 2.944 179.825 176.870 0.020 0.000 1.120 542 L CA 0.575 55.349 54.840 -0.109 0.000 0.799 542 L CB -0.411 41.522 42.059 -0.210 0.000 0.925 542 L HN 0.442 nan 8.230 nan 0.000 0.446 543 A N -0.012 122.808 122.820 -0.001 0.000 1.940 543 A HA -0.239 4.079 4.320 -0.005 0.000 0.219 543 A C 1.838 179.406 177.584 -0.028 0.000 1.176 543 A CA 1.892 53.926 52.037 -0.004 0.000 0.631 543 A CB -0.419 18.576 19.000 -0.008 0.000 0.814 543 A HN 0.348 nan 8.150 nan 0.000 0.446 544 D N -0.918 119.469 120.400 -0.021 0.000 2.350 544 D HA -0.022 4.615 4.640 -0.005 0.000 0.216 544 D C 1.139 177.413 176.300 -0.043 0.000 0.968 544 D CA 0.780 54.763 54.000 -0.028 0.000 0.894 544 D CB 0.154 40.946 40.800 -0.014 0.000 0.909 544 D HN 0.233 nan 8.370 nan 0.000 0.520 545 V N -0.700 119.187 119.914 -0.046 0.000 3.276 545 V HA 0.268 4.385 4.120 -0.005 0.000 0.319 545 V C 1.287 177.213 176.094 -0.281 0.000 1.427 545 V CA 0.623 62.877 62.300 -0.076 0.000 1.102 545 V CB 0.633 32.482 31.823 0.044 0.000 1.020 545 V HN 0.317 nan 8.190 nan 0.000 0.456 546 G N 0.682 109.320 108.800 -0.270 0.000 2.141 546 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.231 546 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.231 546 G C -0.085 174.497 174.900 -0.530 0.000 0.984 546 G CA -0.075 44.786 45.100 -0.398 0.000 0.660 546 G HN 0.443 nan 8.290 nan 0.000 0.525 547 F N 1.568 121.485 119.950 -0.056 0.000 2.325 547 F HA 0.519 5.043 4.527 -0.004 0.000 0.369 547 F C 0.640 176.404 175.800 -0.060 0.000 1.095 547 F CA -0.172 57.793 58.000 -0.059 0.000 1.082 547 F CB 1.153 40.108 39.000 -0.075 0.000 1.289 547 F HN 0.166 nan 8.300 nan 0.000 0.462 548 D N 3.486 123.935 120.400 0.082 0.000 2.365 548 D HA 0.549 5.186 4.640 -0.005 0.000 0.237 548 D C -0.460 175.870 176.300 0.050 0.000 1.190 548 D CA -0.277 53.748 54.000 0.042 0.000 0.867 548 D CB 1.113 41.917 40.800 0.007 0.000 1.050 548 D HN 0.310 nan 8.370 nan 0.000 0.491 549 V N 0.655 120.595 119.914 0.043 0.000 2.495 549 V HA 0.832 4.949 4.120 -0.005 0.000 0.298 549 V C 0.315 176.423 176.094 0.023 0.000 1.031 549 V CA -0.970 61.343 62.300 0.023 0.000 0.871 549 V CB 1.325 33.146 31.823 -0.004 0.000 0.988 549 V HN 0.971 nan 8.190 nan 0.000 0.432 550 A N 4.198 127.021 122.820 0.005 0.000 2.330 550 A HA 0.770 5.088 4.320 -0.005 0.000 0.313 550 A C -0.655 176.916 177.584 -0.022 0.000 1.124 550 A CA -0.567 51.473 52.037 0.005 0.000 0.774 550 A CB 1.486 20.487 19.000 0.002 0.000 1.198 550 A HN 0.671 nan 8.150 nan 0.000 0.465 551 V N 4.434 124.335 119.914 -0.022 0.000 2.415 551 V HA 0.035 4.152 4.120 -0.005 0.000 0.267 551 V C 0.830 176.894 176.094 -0.048 0.000 1.042 551 V CA 0.128 62.401 62.300 -0.045 0.000 1.000 551 V CB 0.419 32.211 31.823 -0.052 0.000 1.015 551 V HN 0.876 nan 8.190 nan 0.000 0.478 552 L N 3.014 124.190 121.223 -0.079 0.000 2.221 552 L HA 0.372 4.710 4.340 -0.005 0.000 0.202 552 L C 0.756 177.584 176.870 -0.071 0.000 1.074 552 L CA 1.341 56.137 54.840 -0.074 0.000 0.795 552 L CB -0.301 41.696 42.059 -0.103 0.000 0.960 552 L HN 0.671 nan 8.230 nan 0.000 0.458 553 D N -2.763 117.568 120.400 -0.114 0.000 2.583 553 D HA 0.385 5.022 4.640 -0.005 0.000 0.248 553 D C -1.770 174.507 176.300 -0.039 0.000 1.209 553 D CA -0.415 53.527 54.000 -0.097 0.000 0.848 553 D CB 2.295 43.084 40.800 -0.019 0.000 1.431 553 D HN -0.160 nan 8.370 nan 0.000 0.436 554 Y N 1.121 121.233 120.300 -0.313 0.000 2.474 554 Y HA 0.541 5.088 4.550 -0.004 0.000 0.326 554 Y C -2.296 173.366 175.900 -0.396 0.000 1.160 554 Y CA -0.562 57.439 58.100 -0.165 0.000 1.056 554 Y CB 0.746 39.142 38.460 -0.107 0.000 1.330 554 Y HN 0.385 nan 8.280 nan 0.000 0.447 555 Y N 3.390 123.417 120.300 -0.455 0.000 2.534 555 Y HA 0.599 5.147 4.550 -0.005 0.000 0.345 555 Y C -0.738 174.929 175.900 -0.388 0.000 1.031 555 Y CA -0.960 56.902 58.100 -0.395 0.000 1.022 555 Y CB 2.671 41.120 38.460 -0.019 0.000 1.292 555 Y HN 0.688 nan 8.280 nan 0.000 0.459 556 E N 1.277 121.401 120.200 -0.126 0.000 2.343 556 E HA 0.506 4.853 4.350 -0.005 0.000 0.278 556 E C -1.896 174.764 176.600 0.101 0.000 0.910 556 E CA -0.783 55.594 56.400 -0.038 0.000 0.757 556 E CB 1.851 31.506 29.700 -0.074 0.000 1.218 556 E HN 0.763 nan 8.360 nan 0.000 0.435 557 H N 0.762 119.898 119.070 0.109 0.000 3.012 557 H HA 0.784 5.337 4.556 -0.004 0.000 0.367 557 H C -0.977 174.385 175.328 0.055 0.000 1.211 557 H CA -0.522 55.574 56.048 0.079 0.000 1.139 557 H CB 0.998 30.808 29.762 0.080 0.000 1.838 557 H HN 0.504 nan 8.280 nan 0.000 0.550 561 A N -0.409 122.413 122.820 0.005 0.000 2.327 561 A HA 0.918 5.235 4.320 -0.005 0.000 0.255 561 A C 1.198 178.786 177.584 0.006 0.000 1.099 561 A CA 0.821 52.861 52.037 0.005 0.000 0.801 561 A CB -0.575 18.424 19.000 -0.001 0.000 1.062 561 A HN 2.810 nan 8.150 nan 0.000 0.496 562 G N -2.198 106.606 108.800 0.006 0.000 2.650 562 G HA2 0.433 4.391 3.960 -0.005 0.000 0.686 562 G HA3 0.433 4.391 3.960 -0.005 0.000 0.686 562 G C -0.324 174.581 174.900 0.008 0.000 1.205 562 G CA 0.430 45.533 45.100 0.005 0.000 0.781 562 G HN 1.643 nan 8.290 nan 0.000 0.648 563 D N -0.522 119.881 120.400 0.006 0.000 3.085 563 D HA 0.637 5.274 4.640 -0.005 0.000 0.243 563 D C 1.104 177.407 176.300 0.006 0.000 1.232 563 D CA 1.624 55.629 54.000 0.007 0.000 0.913 563 D CB -0.886 39.917 40.800 0.006 0.000 1.108 563 D HN 1.764 nan 8.370 nan 0.000 0.468 564 D N -1.605 118.798 120.400 0.006 0.000 1.926 564 D HA 0.505 5.143 4.640 -0.005 0.000 0.677 564 D C 1.279 177.581 176.300 0.004 0.000 0.730 564 D CA 0.629 54.632 54.000 0.004 0.000 1.200 564 D CB -0.781 40.020 40.800 0.002 0.000 1.355 564 D HN 0.970 nan 8.370 nan 0.000 0.422 565 A N 0.392 123.216 122.820 0.007 0.000 2.407 565 A HA 0.488 4.805 4.320 -0.005 0.000 0.257 565 A C 0.688 178.276 177.584 0.007 0.000 1.131 565 A CA 0.333 52.374 52.037 0.008 0.000 0.803 565 A CB 0.053 19.061 19.000 0.012 0.000 1.083 565 A HN 0.469 nan 8.150 nan 0.000 0.512 566 Q N -0.993 118.812 119.800 0.007 0.000 2.368 566 Q HA 0.484 4.821 4.340 -0.005 0.000 0.237 566 Q C -0.171 175.825 176.000 -0.006 0.000 0.987 566 Q CA 0.139 55.942 55.803 -0.001 0.000 0.896 566 Q CB 1.273 30.012 28.738 0.001 0.000 1.241 566 Q HN 0.808 nan 8.270 nan 0.000 0.485 567 A N 0.511 123.311 122.820 -0.034 0.000 2.342 567 A HA 0.723 5.040 4.320 -0.005 0.000 0.323 567 A C -1.099 176.393 177.584 -0.152 0.000 1.125 567 A CA -0.534 51.459 52.037 -0.073 0.000 0.785 567 A CB 1.463 20.434 19.000 -0.048 0.000 1.221 567 A HN 0.671 nan 8.150 nan 0.000 0.463 568 A N 1.260 123.894 122.820 -0.311 0.000 2.288 568 A HA 0.774 5.091 4.320 -0.005 0.000 0.320 568 A C 0.154 177.422 177.584 -0.528 0.000 1.217 568 A CA 0.139 51.892 52.037 -0.474 0.000 0.840 568 A CB 0.621 19.253 19.000 -0.614 0.000 1.179 568 A HN 2.136 nan 8.150 nan 0.000 0.504 569 A N 1.977 124.498 122.820 -0.498 0.000 2.350 569 A HA 0.792 5.109 4.320 -0.005 0.000 0.324 569 A C -1.403 175.880 177.584 -0.502 0.000 1.118 569 A CA -0.417 51.431 52.037 -0.315 0.000 0.783 569 A CB 0.708 19.698 19.000 -0.017 0.000 1.236 569 A HN 0.782 nan 8.150 nan 0.000 0.457 570 Y N 0.695 121.076 120.300 0.135 0.000 2.361 570 Y HA 0.551 5.098 4.550 -0.005 0.000 0.337 570 Y C -0.225 175.939 175.900 0.440 0.000 0.965 570 Y CA -0.847 57.435 58.100 0.303 0.000 1.091 570 Y CB 2.227 40.868 38.460 0.301 0.000 1.182 570 Y HN 0.380 nan 8.280 nan 0.000 0.450 571 V N 3.106 123.332 119.914 0.520 0.000 2.588 571 V HA 0.349 4.466 4.120 -0.005 0.000 0.304 571 V C -0.649 175.431 176.094 -0.023 0.000 1.042 571 V CA -0.991 61.469 62.300 0.267 0.000 0.877 571 V CB 1.947 33.876 31.823 0.175 0.000 0.996 571 V HN 0.763 nan 8.190 nan 0.000 0.425 572 E N 3.076 122.984 120.200 -0.486 0.000 2.133 572 E HA 0.757 5.104 4.350 -0.005 0.000 0.274 572 E C -0.768 175.597 176.600 -0.392 0.000 0.930 572 E CA -0.417 55.447 56.400 -0.893 0.000 0.770 572 E CB 1.725 30.519 29.700 -1.510 0.000 1.104 572 E HN 0.865 nan 8.360 nan 0.000 0.403 573 A N 2.750 125.408 122.820 -0.270 0.000 2.475 573 A HA 0.499 4.816 4.320 -0.005 0.000 0.301 573 A C -0.733 176.790 177.584 -0.101 0.000 1.059 573 A CA -0.771 51.184 52.037 -0.136 0.000 0.710 573 A CB 1.663 20.619 19.000 -0.074 0.000 1.288 573 A HN 0.597 nan 8.150 nan 0.000 0.408 574 S N 0.617 116.280 115.700 -0.062 0.000 2.489 574 S HA 0.618 5.085 4.470 -0.005 0.000 0.277 574 S C -0.532 174.062 174.600 -0.010 0.000 1.230 574 S CA -0.468 57.712 58.200 -0.033 0.000 1.053 574 S CB 0.783 63.969 63.200 -0.023 0.000 0.955 574 S HN 1.051 nan 8.310 nan 0.000 0.488 575 V N 3.779 123.696 119.914 0.005 0.000 2.482 575 V HA 0.444 4.561 4.120 -0.005 0.000 0.295 575 V C -0.220 175.902 176.094 0.046 0.000 1.026 575 V CA -0.597 61.722 62.300 0.033 0.000 0.856 575 V CB 1.733 33.578 31.823 0.036 0.000 1.001 575 V HN 1.033 nan 8.190 nan 0.000 0.424 576 T N 4.313 118.897 114.554 0.050 0.000 2.771 576 T HA 0.800 5.148 4.350 -0.005 0.000 0.281 576 T C 0.494 175.219 174.700 0.043 0.000 0.982 576 T CA 0.682 62.803 62.100 0.035 0.000 0.978 576 T CB 1.148 70.021 68.868 0.009 0.000 0.930 576 T HN 1.598 nan 8.240 nan 0.000 0.447 616 K N 0.949 121.359 120.400 0.016 0.000 2.207 616 K HA 0.946 5.263 4.320 -0.005 0.000 0.255 616 K C -0.152 176.452 176.600 0.007 0.000 0.941 616 K CA -0.599 55.699 56.287 0.018 0.000 0.825 616 K CB 1.223 33.738 32.500 0.025 0.000 1.119 616 K HN 0.763 nan 8.250 nan 0.000 0.430 617 T N 2.007 116.564 114.554 0.005 0.000 2.758 617 T HA 0.596 4.943 4.350 -0.005 0.000 0.285 617 T C -0.290 174.401 174.700 -0.014 0.000 0.981 617 T CA -0.325 61.759 62.100 -0.026 0.000 0.965 617 T CB 0.315 69.168 68.868 -0.025 0.000 0.927 617 T HN 0.890 nan 8.240 nan 0.000 0.448 618 V N 0.616 120.496 119.914 -0.057 0.000 3.049 618 V HA 0.718 4.836 4.120 -0.005 0.000 0.309 618 V C -1.487 174.571 176.094 -0.059 0.000 1.148 618 V CA -1.665 60.649 62.300 0.024 0.000 0.990 618 V CB 1.622 33.484 31.823 0.065 0.000 1.039 618 V HN 0.852 nan 8.190 nan 0.000 0.430 619 W N 0.815 122.216 121.300 0.169 0.000 2.376 619 W HA 0.771 5.429 4.660 -0.004 0.000 0.322 619 W C 0.701 177.350 176.519 0.216 0.000 1.160 619 W CA 0.311 57.771 57.345 0.190 0.000 1.218 619 W CB 1.915 31.493 29.460 0.196 0.000 1.205 619 W HN 1.034 nan 8.180 nan 0.000 0.559 620 G N 0.928 109.969 108.800 0.402 0.000 2.481 620 G HA2 0.666 4.623 3.960 -0.005 0.000 0.315 620 G HA3 0.666 4.623 3.960 -0.005 0.000 0.315 620 G C -1.896 173.138 174.900 0.223 0.000 1.231 620 G CA -0.746 44.525 45.100 0.285 0.000 0.968 620 G HN 0.293 nan 8.290 nan 0.000 0.482 621 V N 0.343 120.300 119.914 0.071 0.000 2.540 621 V HA 0.831 4.949 4.120 -0.005 0.000 0.302 621 V C 0.524 176.565 176.094 -0.088 0.000 1.035 621 V CA -0.443 61.806 62.300 -0.085 0.000 0.873 621 V CB 1.699 33.428 31.823 -0.156 0.000 0.992 621 V HN 1.054 nan 8.190 nan 0.000 0.428 622 G N 4.079 112.789 108.800 -0.150 0.000 2.513 622 G HA2 0.808 4.765 3.960 -0.005 0.000 0.317 622 G HA3 0.808 4.765 3.960 -0.005 0.000 0.317 622 G C -1.281 173.535 174.900 -0.141 0.000 1.277 622 G CA -0.532 44.503 45.100 -0.109 0.000 0.955 622 G HN 0.588 nan 8.290 nan 0.000 0.484 623 I N 1.155 121.679 120.570 -0.076 0.000 2.498 623 I HA 0.729 4.896 4.170 -0.005 0.000 0.290 623 I C 0.105 176.199 176.117 -0.038 0.000 1.032 623 I CA -0.584 60.681 61.300 -0.058 0.000 1.073 623 I CB 2.225 40.229 38.000 0.006 0.000 1.251 623 I HN 0.723 nan 8.210 nan 0.000 0.426 624 A N 6.873 129.667 122.820 -0.043 0.000 2.597 624 A HA 0.672 4.989 4.320 -0.005 0.000 0.292 624 A C -2.559 175.009 177.584 -0.026 0.000 1.057 624 A CA -0.941 51.077 52.037 -0.032 0.000 0.674 624 A CB 1.212 20.185 19.000 -0.045 0.000 1.278 624 A HN 0.427 nan 8.150 nan 0.000 0.416 625 P HA -0.010 nan 4.420 nan 0.000 0.226 625 P C 0.631 177.922 177.300 -0.015 0.000 1.153 625 P CA 1.397 64.490 63.100 -0.013 0.000 0.777 625 P CB 0.246 31.941 31.700 -0.009 0.000 0.794 626 S N -1.178 114.509 115.700 -0.022 0.000 2.501 626 S HA 0.379 4.846 4.470 -0.005 0.000 0.301 626 S C 1.088 175.674 174.600 -0.023 0.000 1.096 626 S CA -0.782 57.404 58.200 -0.022 0.000 1.063 626 S CB 0.723 63.906 63.200 -0.030 0.000 1.042 626 S HN -0.194 nan 8.310 nan 0.000 0.494 627 I N 3.314 123.878 120.570 -0.009 0.000 2.286 627 I HA -0.155 4.012 4.170 -0.005 0.000 0.248 627 I C 2.328 178.443 176.117 -0.003 0.000 1.115 627 I CA 1.393 62.698 61.300 0.008 0.000 1.392 627 I CB -0.306 37.712 38.000 0.030 0.000 1.065 627 I HN 0.699 nan 8.210 nan 0.000 0.418 628 T N -0.385 114.152 114.554 -0.029 0.000 2.737 628 T HA -0.146 4.201 4.350 -0.005 0.000 0.265 628 T C 1.875 176.521 174.700 -0.091 0.000 1.038 628 T CA 2.005 64.068 62.100 -0.061 0.000 1.144 628 T CB -0.368 68.457 68.868 -0.072 0.000 0.866 628 T HN 0.348 nan 8.240 nan 0.000 0.434 629 T N 2.074 116.575 114.554 -0.088 0.000 2.821 629 T HA 0.053 4.400 4.350 -0.005 0.000 0.267 629 T C 2.424 177.062 174.700 -0.104 0.000 1.046 629 T CA 0.991 63.022 62.100 -0.114 0.000 1.139 629 T CB -0.519 68.296 68.868 -0.088 0.000 0.871 629 T HN 0.405 nan 8.240 nan 0.000 0.454 630 A N 2.083 124.861 122.820 -0.071 0.000 1.908 630 A HA -0.133 4.184 4.320 -0.005 0.000 0.218 630 A C 2.616 180.169 177.584 -0.051 0.000 1.181 630 A CA 2.242 54.238 52.037 -0.068 0.000 0.627 630 A CB -1.017 17.940 19.000 -0.071 0.000 0.818 630 A HN 0.601 nan 8.150 nan 0.000 0.445 631 S N 0.125 115.815 115.700 -0.018 0.000 2.368 631 S HA -0.121 4.346 4.470 -0.005 0.000 0.225 631 S C 1.915 176.490 174.600 -0.043 0.000 1.030 631 S CA 1.528 59.744 58.200 0.026 0.000 0.999 631 S CB -0.768 62.444 63.200 0.020 0.000 0.844 631 S HN 0.470 nan 8.310 nan 0.000 0.459 632 L N 0.612 121.744 121.223 -0.152 0.000 2.093 632 L HA 0.022 4.359 4.340 -0.005 0.000 0.208 632 L C 3.152 179.911 176.870 -0.185 0.000 1.085 632 L CA 1.287 55.941 54.840 -0.309 0.000 0.755 632 L CB -0.523 41.169 42.059 -0.611 0.000 0.904 632 L HN 0.285 nan 8.230 nan 0.000 0.435 633 R N 0.138 120.560 120.500 -0.131 0.000 2.115 633 R HA -0.090 4.247 4.340 -0.005 0.000 0.230 633 R C 2.445 178.732 176.300 -0.021 0.000 1.111 633 R CA 1.192 57.248 56.100 -0.072 0.000 0.976 633 R CB -0.374 29.884 30.300 -0.069 0.000 0.870 633 R HN 0.345 nan 8.270 nan 0.000 0.445 634 A N 0.612 123.427 122.820 -0.008 0.000 1.930 634 A HA -0.079 4.238 4.320 -0.005 0.000 0.217 634 A C 2.298 179.927 177.584 0.075 0.000 1.175 634 A CA 1.059 53.118 52.037 0.036 0.000 0.627 634 A CB -0.349 18.686 19.000 0.059 0.000 0.815 634 A HN 0.095 nan 8.150 nan 0.000 0.443 635 V N -0.288 119.681 119.914 0.092 0.000 2.295 635 V HA -0.241 3.876 4.120 -0.005 0.000 0.246 635 V C 2.572 178.719 176.094 0.088 0.000 1.049 635 V CA 2.048 64.421 62.300 0.122 0.000 1.024 635 V CB -0.811 31.166 31.823 0.258 0.000 0.648 635 V HN 0.374 nan 8.190 nan 0.000 0.447 636 V N -0.337 119.644 119.914 0.111 0.000 2.343 636 V HA -0.270 3.847 4.120 -0.005 0.000 0.247 636 V C 2.680 178.760 176.094 -0.024 0.000 1.051 636 V CA 2.358 64.677 62.300 0.033 0.000 1.036 636 V CB -0.739 31.110 31.823 0.042 0.000 0.654 636 V HN 0.630 nan 8.190 nan 0.000 0.451 637 S N -0.141 115.561 115.700 0.004 0.000 2.359 637 S HA -0.224 4.243 4.470 -0.005 0.000 0.224 637 S C 2.141 176.755 174.600 0.023 0.000 1.035 637 S CA 1.800 60.005 58.200 0.008 0.000 1.018 637 S CB -0.356 62.871 63.200 0.046 0.000 0.876 637 S HN 0.624 nan 8.310 nan 0.000 0.448 638 A N 0.780 123.628 122.820 0.048 0.000 1.877 638 A HA -0.013 4.304 4.320 -0.005 0.000 0.216 638 A C 2.371 179.945 177.584 -0.016 0.000 1.186 638 A CA 1.851 53.916 52.037 0.047 0.000 0.620 638 A CB -1.139 17.885 19.000 0.040 0.000 0.822 638 A HN 0.464 nan 8.150 nan 0.000 0.443 639 V N 1.093 120.962 119.914 -0.076 0.000 2.343 639 V HA -0.266 3.851 4.120 -0.005 0.000 0.247 639 V C 2.243 178.255 176.094 -0.137 0.000 1.051 639 V CA 2.175 64.379 62.300 -0.161 0.000 1.036 639 V CB -0.979 30.609 31.823 -0.392 0.000 0.654 639 V HN 0.558 nan 8.190 nan 0.000 0.451 640 N N 0.075 118.702 118.700 -0.121 0.000 2.244 640 N HA -0.089 4.648 4.740 -0.005 0.000 0.183 640 N C 1.944 177.415 175.510 -0.066 0.000 1.016 640 N CA 1.041 54.036 53.050 -0.092 0.000 0.866 640 N CB -0.331 38.102 38.487 -0.091 0.000 0.980 640 N HN 0.468 nan 8.380 nan 0.000 0.430 641 R N 0.728 121.191 120.500 -0.062 0.000 2.096 641 R HA 0.051 4.388 4.340 -0.005 0.000 0.235 641 R C 2.055 178.343 176.300 -0.021 0.000 1.127 641 R CA 1.090 57.154 56.100 -0.060 0.000 0.968 641 R CB -0.324 29.949 30.300 -0.045 0.000 0.861 641 R HN 0.175 nan 8.270 nan 0.000 0.440 642 A N 1.389 124.207 122.820 -0.003 0.000 1.978 642 A HA -0.010 4.307 4.320 -0.005 0.000 0.220 642 A C 1.358 178.957 177.584 0.026 0.000 1.170 642 A CA 1.467 53.515 52.037 0.018 0.000 0.636 642 A CB -0.276 18.741 19.000 0.030 0.000 0.810 642 A HN 0.388 nan 8.150 nan 0.000 0.448 643 A N 0.000 122.834 122.820 0.023 0.000 2.254 643 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 643 A CA 0.000 52.060 52.037 0.039 0.000 0.836 643 A CB 0.000 19.041 19.000 0.068 0.000 0.831 643 A HN 0.000 nan 8.150 nan 0.000 0.486