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 1h4p_1_A DATA FIRST_RESID 41 DATA SEQUENCE YYDYDHGSLG EPIRGVNIGG WLLLEPYITP SLFEAFRTND DNDEGIPVDE DATA SEQUENCE YHFCQYLGKD LAKSRLQSHW STFYQEQDFA NIASQGFNLV RIPIGYWAFQ DATA SEQUENCE ILDDDPYVSG LQESYLDQAI GWARNNSLKV WVDLHGAAGS QNGFDNSGLR DATA SEQUENCE DSYKFLEDSN LAVTINVLNY ILKKYSAEEY LDIVIGIELI NEPLGPVLDM DATA SEQUENCE DKMKNDYLAP AYEYLRNNIK SDQVIIIHDA FQPYNYWDDF MTENDGYWGV DATA SEQUENCE TIDHHHYQVF ASDQLERSID EHIKVAcEWG TGVLNESHWI VCGEFAAALT DATA SEQUENCE DcIKWLNSVG FGARYDGSWV NGDQTSSYIG ScANNDDIAY WSDERKENTR DATA SEQUENCE RYVEAQLDAF EMRGGWIIWC YKTESSLEWD AQRLMFNGLF PQPLTDRKYP DATA SEQUENCE NQcGTISN 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 41 Y HA 0.000 nan 4.550 nan 0.000 0.201 41 Y C 0.000 176.072 175.900 0.287 0.000 1.272 41 Y CA 0.000 58.276 58.100 0.293 0.000 1.940 41 Y CB 0.000 38.619 38.460 0.264 0.000 1.050 42 Y N 4.158 124.097 120.300 -0.602 0.000 2.442 42 Y HA 0.356 4.906 4.550 0.000 0.000 0.330 42 Y C -1.572 173.725 175.900 -1.005 0.000 1.100 42 Y CA -1.124 56.596 58.100 -0.633 0.000 1.034 42 Y CB 1.350 39.504 38.460 -0.510 0.000 1.285 42 Y HN 0.667 nan 8.280 nan 0.000 0.440 43 D N 4.670 124.267 120.400 -1.338 0.000 2.441 43 D HA 0.091 4.731 4.640 0.000 0.000 0.221 43 D C 0.148 175.677 176.300 -1.285 0.000 1.156 43 D CA 0.155 53.470 54.000 -1.142 0.000 0.896 43 D CB 0.329 40.865 40.800 -0.441 0.000 1.028 43 D HN 0.658 nan 8.370 nan 0.000 0.509 44 Y N 1.371 120.750 120.300 -1.535 0.000 2.483 44 Y HA -0.099 4.452 4.550 0.000 0.000 0.291 44 Y C 1.745 177.263 175.900 -0.636 0.000 1.143 44 Y CA 0.700 58.338 58.100 -0.770 0.000 1.289 44 Y CB 0.306 38.495 38.460 -0.453 0.000 0.983 44 Y HN 0.354 nan 8.280 nan 0.000 0.556 45 D N -1.959 118.020 120.400 -0.702 0.000 2.354 45 D HA 0.023 4.663 4.640 0.000 0.000 0.209 45 D C -0.155 175.775 176.300 -0.617 0.000 1.015 45 D CA 0.818 54.595 54.000 -0.373 0.000 0.867 45 D CB 0.069 40.846 40.800 -0.039 0.000 0.933 45 D HN 0.367 nan 8.370 nan 0.000 0.520 46 H N -1.316 117.587 119.070 -0.278 0.000 2.696 46 H HA 0.417 4.973 4.556 0.000 0.000 0.221 46 H C 0.369 175.474 175.328 -0.371 0.000 1.399 46 H CA -0.539 55.380 56.048 -0.214 0.000 1.408 46 H CB 0.687 30.377 29.762 -0.120 0.000 1.853 46 H HN -0.132 nan 8.280 nan 0.000 0.546 47 G N 0.282 108.860 108.800 -0.371 0.000 2.441 47 G HA2 0.159 4.119 3.960 0.000 0.000 0.243 47 G HA3 0.159 4.119 3.960 0.000 0.000 0.243 47 G C 1.176 175.879 174.900 -0.328 0.000 1.281 47 G CA 0.093 44.815 45.100 -0.631 0.000 0.854 47 G HN 0.528 nan 8.290 nan 0.000 0.560 48 S N 1.978 117.437 115.700 -0.402 0.000 2.500 48 S HA -0.083 4.387 4.470 0.000 0.000 0.239 48 S C 2.035 176.648 174.600 0.022 0.000 0.989 48 S CA 0.468 58.605 58.200 -0.106 0.000 0.951 48 S CB -0.203 62.967 63.200 -0.050 0.000 0.759 48 S HN 0.459 nan 8.310 nan 0.000 0.523 49 L N 0.954 122.241 121.223 0.105 0.000 2.376 49 L HA 0.143 4.483 4.340 0.000 0.000 0.219 49 L C 2.138 179.018 176.870 0.016 0.000 1.133 49 L CA 0.599 55.479 54.840 0.066 0.000 0.816 49 L CB -1.013 41.082 42.059 0.060 0.000 0.933 49 L HN 0.612 nan 8.230 nan 0.000 0.449 50 G N 0.667 109.467 108.800 -0.000 0.000 2.155 50 G HA2 -0.281 3.679 3.960 0.000 0.000 0.257 50 G HA3 -0.281 3.679 3.960 0.000 0.000 0.257 50 G C 0.093 174.986 174.900 -0.012 0.000 0.983 50 G CA 0.659 45.753 45.100 -0.010 0.000 0.676 50 G HN 0.583 nan 8.290 nan 0.000 0.528 51 E N -1.044 119.147 120.200 -0.015 0.000 2.423 51 E HA 0.629 4.979 4.350 0.000 0.000 0.280 51 E C -3.093 173.487 176.600 -0.034 0.000 1.030 51 E CA -2.092 54.296 56.400 -0.021 0.000 0.812 51 E CB 1.418 31.102 29.700 -0.025 0.000 1.313 51 E HN 0.115 nan 8.360 nan 0.000 0.456 52 P HA 0.169 nan 4.420 nan 0.000 0.273 52 P C 0.062 177.265 177.300 -0.161 0.000 1.250 52 P CA -0.491 62.574 63.100 -0.058 0.000 0.793 52 P CB 0.520 32.211 31.700 -0.015 0.000 1.011 53 I N 1.373 121.831 120.570 -0.186 0.000 2.618 53 I HA 0.036 4.206 4.170 0.000 0.000 0.284 53 I C 1.243 176.947 176.117 -0.689 0.000 1.146 53 I CA 0.549 61.654 61.300 -0.326 0.000 1.425 53 I CB -0.762 37.094 38.000 -0.240 0.000 1.383 53 I HN 0.349 nan 8.210 nan 0.000 0.562 54 R N 4.399 124.459 120.500 -0.733 0.000 2.629 54 R HA 0.473 4.813 4.340 0.000 0.000 0.275 54 R C 0.067 176.049 176.300 -0.530 0.000 1.719 54 R CA -0.338 54.994 56.100 -1.280 0.000 1.472 54 R CB 1.554 31.439 30.300 -0.693 0.000 1.237 54 R HN 0.848 nan 8.270 nan 0.000 0.589 55 G N 0.390 108.925 108.800 -0.443 0.000 2.932 55 G HA2 0.667 4.627 3.960 0.000 0.000 0.283 55 G HA3 0.667 4.627 3.960 0.000 0.000 0.283 55 G C -0.701 174.117 174.900 -0.136 0.000 1.336 55 G CA -0.553 44.424 45.100 -0.205 0.000 1.056 55 G HN 0.194 nan 8.290 nan 0.000 0.522 56 V N -2.271 117.420 119.914 -0.371 0.000 2.876 56 V HA 0.616 4.736 4.120 0.000 0.000 0.312 56 V C -0.856 175.018 176.094 -0.366 0.000 1.085 56 V CA -1.463 60.583 62.300 -0.423 0.000 0.945 56 V CB 2.020 33.422 31.823 -0.701 0.000 1.017 56 V HN 0.588 nan 8.190 nan 0.000 0.428 57 N N 3.118 121.612 118.700 -0.344 0.000 2.455 57 N HA 0.421 5.161 4.740 0.000 0.000 0.280 57 N C -0.390 174.833 175.510 -0.477 0.000 1.055 57 N CA -0.459 52.351 53.050 -0.400 0.000 0.961 57 N CB 1.770 39.925 38.487 -0.553 0.000 1.121 57 N HN 0.652 nan 8.380 nan 0.000 0.476 58 I N 2.268 122.595 120.570 -0.405 0.000 2.293 58 I HA 0.116 4.286 4.170 0.000 0.000 0.280 58 I C 1.350 177.325 176.117 -0.237 0.000 1.075 58 I CA -0.258 60.752 61.300 -0.484 0.000 1.702 58 I CB -1.267 36.410 38.000 -0.537 0.000 1.477 58 I HN 0.333 nan 8.210 nan 0.000 0.733 59 G N 1.213 109.815 108.800 -0.330 0.000 2.467 59 G HA2 0.415 4.375 3.960 0.000 0.000 0.257 59 G HA3 0.415 4.375 3.960 0.000 0.000 0.257 59 G C 1.003 176.082 174.900 0.298 0.000 1.227 59 G CA 0.204 45.181 45.100 -0.205 0.000 0.835 59 G HN 0.798 nan 8.290 nan 0.000 0.556 60 G N 0.303 109.320 108.800 0.362 0.000 2.155 60 G HA2 -0.313 3.647 3.960 0.000 0.000 0.257 60 G HA3 -0.313 3.647 3.960 0.000 0.000 0.257 60 G C 0.802 176.039 174.900 0.561 0.000 0.983 60 G CA 1.064 46.378 45.100 0.357 0.000 0.676 60 G HN 0.781 nan 8.290 nan 0.000 0.528 61 W N 0.144 121.702 121.300 0.430 0.000 2.681 61 W HA 0.414 5.074 4.660 0.000 0.000 0.311 61 W C 2.059 178.866 176.519 0.480 0.000 1.100 61 W CA 1.702 59.364 57.345 0.527 0.000 1.504 61 W CB -0.706 28.970 29.460 0.359 0.000 1.201 61 W HN 0.077 nan 8.180 nan 0.000 0.488 62 L N 1.061 122.357 121.223 0.121 0.000 2.599 62 L HA 0.186 4.526 4.340 0.000 0.000 0.230 62 L C 0.073 177.017 176.870 0.123 0.000 1.141 62 L CA 0.256 54.988 54.840 -0.181 0.000 0.877 62 L CB -0.456 41.292 42.059 -0.518 0.000 1.009 62 L HN -0.008 nan 8.230 nan 0.000 0.447 63 L N 0.757 122.135 121.223 0.258 0.000 2.541 63 L HA 0.397 4.737 4.340 0.000 0.000 0.266 63 L C -0.670 176.382 176.870 0.303 0.000 0.966 63 L CA -0.459 54.587 54.840 0.342 0.000 0.871 63 L CB 1.539 43.760 42.059 0.270 0.000 1.232 63 L HN -0.070 nan 8.230 nan 0.000 0.408 64 L N 4.332 125.700 121.223 0.242 0.000 2.453 64 L HA 0.267 4.607 4.340 0.000 0.000 0.272 64 L C -0.078 176.866 176.870 0.123 0.000 1.182 64 L CA 0.257 55.170 54.840 0.122 0.000 0.858 64 L CB 0.485 42.548 42.059 0.007 0.000 1.120 64 L HN 0.615 nan 8.230 nan 0.000 0.474 65 E N 3.882 124.106 120.200 0.040 0.000 2.265 65 E HA 0.205 4.555 4.350 0.000 0.000 0.262 65 E C -1.951 174.525 176.600 -0.206 0.000 0.889 65 E CA -1.691 54.676 56.400 -0.054 0.000 0.789 65 E CB 2.323 32.040 29.700 0.029 0.000 1.221 65 E HN 0.317 nan 8.360 nan 0.000 0.414 66 P HA -0.256 nan 4.420 nan 0.000 0.217 66 P C 1.146 178.497 177.300 0.084 0.000 1.158 66 P CA 1.525 64.306 63.100 -0.531 0.000 0.887 66 P CB -0.074 31.128 31.700 -0.830 0.000 0.792 67 Y N -1.627 118.709 120.300 0.060 0.000 2.421 67 Y HA -0.009 4.541 4.550 0.000 0.000 0.292 67 Y C 1.850 177.819 175.900 0.114 0.000 1.136 67 Y CA 0.716 58.893 58.100 0.128 0.000 1.255 67 Y CB -1.469 37.004 38.460 0.021 0.000 0.991 67 Y HN -0.059 nan 8.280 nan 0.000 0.552 68 I N 0.636 120.887 120.570 -0.532 0.000 2.400 68 I HA -0.079 4.091 4.170 0.000 0.000 0.248 68 I C 0.754 176.828 176.117 -0.072 0.000 1.109 68 I CA 1.471 62.565 61.300 -0.343 0.000 1.425 68 I CB -0.258 37.559 38.000 -0.305 0.000 1.094 68 I HN 0.356 nan 8.210 nan 0.000 0.425 69 T N -1.876 112.642 114.554 -0.059 0.000 3.401 69 T HA 0.307 4.657 4.350 0.000 0.000 0.341 69 T C -1.805 173.013 174.700 0.196 0.000 1.674 69 T CA -1.718 60.373 62.100 -0.015 0.000 1.600 69 T CB 0.671 69.405 68.868 -0.223 0.000 0.974 69 T HN -0.022 nan 8.240 nan 0.000 0.672 70 P HA -0.180 nan 4.420 nan 0.000 0.219 70 P C 1.886 179.446 177.300 0.434 0.000 1.146 70 P CA 1.166 64.527 63.100 0.434 0.000 0.808 70 P CB 0.087 31.915 31.700 0.213 0.000 0.779 71 S N -0.324 115.526 115.700 0.249 0.000 2.399 71 S HA -0.137 4.333 4.470 0.000 0.000 0.231 71 S C 1.972 176.704 174.600 0.220 0.000 1.022 71 S CA 0.977 59.298 58.200 0.200 0.000 0.983 71 S CB -1.539 61.732 63.200 0.118 0.000 0.803 71 S HN -0.024 nan 8.310 nan 0.000 0.480 72 L N -0.140 121.207 121.223 0.207 0.000 2.201 72 L HA 0.194 4.534 4.340 0.000 0.000 0.212 72 L C 1.994 178.949 176.870 0.141 0.000 1.105 72 L CA 1.469 56.367 54.840 0.098 0.000 0.775 72 L CB -0.769 41.195 42.059 -0.158 0.000 0.913 72 L HN 0.308 nan 8.230 nan 0.000 0.440 73 F N -1.471 118.696 119.950 0.361 0.000 2.505 73 F HA 0.057 4.584 4.527 0.000 0.000 0.289 73 F C 2.356 178.445 175.800 0.482 0.000 1.101 73 F CA 0.221 58.447 58.000 0.377 0.000 1.446 73 F CB -0.286 38.775 39.000 0.102 0.000 1.123 73 F HN -0.047 nan 8.300 nan 0.000 0.564 74 E N 0.622 121.194 120.200 0.620 0.000 2.333 74 E HA -0.109 4.241 4.350 0.000 0.000 0.198 74 E C 2.270 179.059 176.600 0.316 0.000 1.007 74 E CA 0.795 57.476 56.400 0.469 0.000 0.845 74 E CB -0.298 29.591 29.700 0.316 0.000 0.766 74 E HN 0.328 nan 8.360 nan 0.000 0.507 75 A N -0.106 122.878 122.820 0.275 0.000 2.070 75 A HA -0.123 4.198 4.320 0.000 0.000 0.220 75 A C 1.619 179.183 177.584 -0.033 0.000 1.159 75 A CA 0.793 52.867 52.037 0.062 0.000 0.656 75 A CB -0.526 18.434 19.000 -0.067 0.000 0.800 75 A HN 0.136 nan 8.150 nan 0.000 0.453 76 F N -0.551 119.438 119.950 0.066 0.000 2.664 76 F HA 0.202 4.729 4.527 0.000 0.000 0.296 76 F C 1.258 177.107 175.800 0.082 0.000 1.125 76 F CA 0.027 58.062 58.000 0.058 0.000 1.444 76 F CB -0.030 39.021 39.000 0.085 0.000 1.114 76 F HN 0.043 nan 8.300 nan 0.000 0.576 77 R N 1.225 121.894 120.500 0.283 0.000 2.484 77 R HA 0.027 4.367 4.340 0.000 0.000 0.293 77 R C 0.932 177.305 176.300 0.122 0.000 1.023 77 R CA 0.962 57.185 56.100 0.204 0.000 1.037 77 R CB 0.486 30.912 30.300 0.210 0.000 0.951 77 R HN 0.269 nan 8.270 nan 0.000 0.418 78 T N -0.115 114.497 114.554 0.097 0.000 2.971 78 T HA 0.103 4.453 4.350 0.000 0.000 0.252 78 T C 0.469 175.197 174.700 0.047 0.000 1.022 78 T CA -0.307 61.826 62.100 0.055 0.000 0.980 78 T CB 0.222 69.113 68.868 0.038 0.000 1.044 78 T HN 0.425 nan 8.240 nan 0.000 0.501 79 N N 1.255 119.990 118.700 0.059 0.000 2.448 79 N HA 0.238 4.978 4.740 0.000 0.000 0.279 79 N C -0.762 174.783 175.510 0.059 0.000 1.025 79 N CA -0.209 52.869 53.050 0.047 0.000 0.898 79 N CB 2.186 40.696 38.487 0.038 0.000 1.303 79 N HN 0.028 nan 8.380 nan 0.000 0.495 80 D N 1.812 122.241 120.400 0.049 0.000 2.384 80 D HA -0.112 4.528 4.640 0.000 0.000 0.222 80 D C 0.725 177.054 176.300 0.047 0.000 0.976 80 D CA 0.986 55.017 54.000 0.050 0.000 0.915 80 D CB 0.385 41.206 40.800 0.036 0.000 0.896 80 D HN 0.584 nan 8.370 nan 0.000 0.523 81 D N -1.417 119.008 120.400 0.042 0.000 2.367 81 D HA 0.041 4.681 4.640 0.000 0.000 0.207 81 D C -0.558 175.767 176.300 0.041 0.000 1.034 81 D CA 0.064 54.085 54.000 0.035 0.000 0.861 81 D CB 0.202 41.016 40.800 0.023 0.000 0.943 81 D HN 0.358 nan 8.370 nan 0.000 0.515 82 N N -1.518 117.215 118.700 0.055 0.000 2.825 82 N HA 0.210 4.950 4.740 0.000 0.000 0.253 82 N C -1.023 174.543 175.510 0.092 0.000 1.426 82 N CA -0.739 52.347 53.050 0.059 0.000 0.851 82 N CB 0.834 39.341 38.487 0.033 0.000 1.470 82 N HN -0.342 nan 8.380 nan 0.000 0.517 83 D N -0.458 119.997 120.400 0.092 0.000 2.336 83 D HA 0.035 4.675 4.640 0.000 0.000 0.228 83 D C -0.581 175.768 176.300 0.082 0.000 1.120 83 D CA 0.161 54.234 54.000 0.122 0.000 0.839 83 D CB -0.023 40.850 40.800 0.121 0.000 0.932 83 D HN 0.558 nan 8.370 nan 0.000 0.509 84 E N 0.206 120.442 120.200 0.060 0.000 2.417 84 E HA 0.265 4.615 4.350 0.000 0.000 0.261 84 E C 1.205 177.848 176.600 0.071 0.000 1.000 84 E CA 0.332 56.758 56.400 0.042 0.000 0.919 84 E CB 0.606 30.318 29.700 0.021 0.000 0.955 84 E HN 0.247 nan 8.360 nan 0.000 0.455 85 G N 3.420 112.264 108.800 0.074 0.000 2.217 85 G HA2 -0.284 3.677 3.960 0.000 0.000 0.246 85 G HA3 -0.284 3.677 3.960 0.000 0.000 0.246 85 G C 0.296 175.350 174.900 0.257 0.000 0.990 85 G CA -0.377 44.793 45.100 0.118 0.000 0.627 85 G HN 0.530 nan 8.290 nan 0.000 0.522 86 I N 3.006 123.682 120.570 0.177 0.000 2.379 86 I HA 0.266 4.436 4.170 0.000 0.000 0.290 86 I C -1.778 174.308 176.117 -0.051 0.000 1.063 86 I CA -1.973 59.384 61.300 0.096 0.000 1.351 86 I CB 1.061 39.116 38.000 0.091 0.000 1.410 86 I HN -0.088 nan 8.210 nan 0.000 0.505 87 P HA -0.036 nan 4.420 nan 0.000 0.269 87 P C 0.689 177.882 177.300 -0.179 0.000 1.209 87 P CA -0.173 62.642 63.100 -0.474 0.000 0.776 87 P CB 0.715 31.928 31.700 -0.811 0.000 0.876 88 V N -2.044 117.751 119.914 -0.198 0.000 3.621 88 V HA 0.252 4.372 4.120 0.000 0.000 0.285 88 V C -0.164 175.835 176.094 -0.159 0.000 1.346 88 V CA 0.537 62.706 62.300 -0.220 0.000 1.104 88 V CB -0.926 30.791 31.823 -0.176 0.000 0.913 88 V HN 0.602 nan 8.190 nan 0.000 0.432 89 D N -2.162 118.255 120.400 0.029 0.000 2.692 89 D HA 0.159 4.799 4.640 0.000 0.000 0.290 89 D C 0.638 177.064 176.300 0.211 0.000 1.281 89 D CA -0.173 53.881 54.000 0.089 0.000 0.804 89 D CB 1.003 41.857 40.800 0.089 0.000 1.331 89 D HN -0.061 nan 8.370 nan 0.000 0.432 90 E N -1.202 119.096 120.200 0.163 0.000 2.204 90 E HA -0.203 4.147 4.350 0.000 0.000 0.194 90 E C 1.107 177.688 176.600 -0.032 0.000 0.989 90 E CA 0.677 57.125 56.400 0.081 0.000 0.824 90 E CB -0.092 29.633 29.700 0.041 0.000 0.756 90 E HN 0.464 nan 8.360 nan 0.000 0.477 91 Y N 0.928 121.063 120.300 -0.274 0.000 2.097 91 Y HA -0.298 4.252 4.550 0.000 0.000 0.282 91 Y C 2.149 177.670 175.900 -0.632 0.000 1.152 91 Y CA 2.301 59.963 58.100 -0.730 0.000 1.136 91 Y CB -0.230 37.812 38.460 -0.696 0.000 0.975 91 Y HN 0.214 nan 8.280 nan 0.000 0.498 92 H N -1.661 117.368 119.070 -0.069 0.000 2.502 92 H HA -0.108 4.448 4.556 0.000 0.000 0.283 92 H C 2.052 177.013 175.328 -0.611 0.000 1.015 92 H CA 1.202 57.032 56.048 -0.364 0.000 1.298 92 H CB -0.591 28.855 29.762 -0.526 0.000 1.411 92 H HN 0.477 nan 8.280 nan 0.000 0.556 93 F N 1.210 120.898 119.950 -0.437 0.000 2.134 93 F HA -0.209 4.318 4.527 0.000 0.000 0.299 93 F C 2.267 177.929 175.800 -0.230 0.000 1.097 93 F CA 1.039 58.766 58.000 -0.455 0.000 1.264 93 F CB -0.557 38.209 39.000 -0.391 0.000 1.001 93 F HN 0.038 nan 8.300 nan 0.000 0.479 94 C N 0.389 119.692 119.300 0.005 0.000 2.476 94 C HA -0.143 4.317 4.460 0.000 0.000 0.278 94 C C 2.762 177.658 174.990 -0.156 0.000 1.274 94 C CA 1.180 60.148 59.018 -0.082 0.000 1.713 94 C CB -1.232 26.406 27.740 -0.171 0.000 2.039 94 C HN 0.640 nan 8.230 nan 0.000 0.484 95 Q N -0.268 119.403 119.800 -0.216 0.000 2.061 95 Q HA -0.237 4.103 4.340 0.000 0.000 0.204 95 Q C 2.069 178.156 176.000 0.145 0.000 0.984 95 Q CA 2.054 57.812 55.803 -0.076 0.000 0.846 95 Q CB -0.278 28.444 28.738 -0.026 0.000 0.902 95 Q HN 0.702 nan 8.270 nan 0.000 0.421 96 Y N 0.484 120.745 120.300 -0.065 0.000 2.145 96 Y HA -0.188 4.362 4.550 0.000 0.000 0.286 96 Y C 2.167 178.054 175.900 -0.022 0.000 1.145 96 Y CA 0.942 59.036 58.100 -0.011 0.000 1.148 96 Y CB -0.582 37.896 38.460 0.030 0.000 0.981 96 Y HN 0.159 nan 8.280 nan 0.000 0.507 97 L N -1.283 119.991 121.223 0.085 0.000 2.179 97 L HA 0.164 4.504 4.340 0.000 0.000 0.208 97 L C 1.101 177.934 176.870 -0.061 0.000 1.096 97 L CA 0.734 55.540 54.840 -0.057 0.000 0.779 97 L CB -0.750 41.170 42.059 -0.232 0.000 0.922 97 L HN 0.371 nan 8.230 nan 0.000 0.443 98 G N -0.431 108.339 108.800 -0.051 0.000 2.690 98 G HA2 -0.177 3.783 3.960 0.000 0.000 0.686 98 G HA3 -0.177 3.783 3.960 0.000 0.000 0.686 98 G C 0.246 175.117 174.900 -0.049 0.000 1.277 98 G CA -0.425 44.646 45.100 -0.047 0.000 0.799 98 G HN -0.109 nan 8.290 nan 0.000 0.613 99 K N 0.193 120.572 120.400 -0.036 0.000 2.015 99 K HA -0.155 4.165 4.320 0.000 0.000 0.216 99 K C 2.041 178.638 176.600 -0.005 0.000 1.052 99 K CA 2.303 58.581 56.287 -0.015 0.000 0.937 99 K CB -0.432 32.065 32.500 -0.006 0.000 0.719 99 K HN 0.660 nan 8.250 nan 0.000 0.446 100 D N 0.894 121.287 120.400 -0.011 0.000 2.092 100 D HA -0.168 4.473 4.640 0.000 0.000 0.193 100 D C 2.106 178.393 176.300 -0.022 0.000 0.994 100 D CA 0.837 54.832 54.000 -0.009 0.000 0.828 100 D CB -0.335 40.457 40.800 -0.013 0.000 0.963 100 D HN 0.110 nan 8.370 nan 0.000 0.450 101 L N 0.549 121.743 121.223 -0.048 0.000 2.093 101 L HA -0.130 4.210 4.340 0.000 0.000 0.208 101 L C 2.368 179.188 176.870 -0.083 0.000 1.085 101 L CA 1.016 55.809 54.840 -0.078 0.000 0.755 101 L CB -0.152 41.839 42.059 -0.115 0.000 0.904 101 L HN -0.054 nan 8.230 nan 0.000 0.435 102 A N -0.151 122.628 122.820 -0.069 0.000 1.898 102 A HA -0.265 4.055 4.320 0.000 0.000 0.216 102 A C 2.341 179.942 177.584 0.029 0.000 1.181 102 A CA 1.908 53.940 52.037 -0.008 0.000 0.620 102 A CB -0.426 18.585 19.000 0.019 0.000 0.819 102 A HN 0.405 nan 8.150 nan 0.000 0.442 103 K N 0.444 120.853 120.400 0.016 0.000 2.026 103 K HA -0.166 4.154 4.320 0.000 0.000 0.208 103 K C 2.317 178.908 176.600 -0.016 0.000 1.048 103 K CA 1.971 58.273 56.287 0.026 0.000 0.929 103 K CB -0.247 32.294 32.500 0.069 0.000 0.713 103 K HN 0.590 nan 8.250 nan 0.000 0.439 104 S N 0.673 116.368 115.700 -0.009 0.000 2.368 104 S HA -0.137 4.333 4.470 0.000 0.000 0.225 104 S C 2.025 176.602 174.600 -0.038 0.000 1.030 104 S CA 0.833 59.028 58.200 -0.008 0.000 0.999 104 S CB -0.409 62.786 63.200 -0.008 0.000 0.844 104 S HN 0.347 nan 8.310 nan 0.000 0.459 105 R N 0.811 121.284 120.500 -0.046 0.000 2.092 105 R HA 0.175 4.515 4.340 0.000 0.000 0.231 105 R C 2.421 178.640 176.300 -0.135 0.000 1.119 105 R CA 1.259 57.340 56.100 -0.032 0.000 0.970 105 R CB -0.636 29.695 30.300 0.051 0.000 0.864 105 R HN 0.410 nan 8.270 nan 0.000 0.440 106 L N 0.680 121.723 121.223 -0.299 0.000 2.056 106 L HA -0.194 4.146 4.340 0.000 0.000 0.207 106 L C 2.540 178.816 176.870 -0.990 0.000 1.078 106 L CA 1.370 55.675 54.840 -0.893 0.000 0.749 106 L CB -0.340 40.949 42.059 -1.285 0.000 0.901 106 L HN 0.240 nan 8.230 nan 0.000 0.433 107 Q N -0.710 118.836 119.800 -0.423 0.000 2.124 107 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 107 Q C 2.407 178.436 176.000 0.049 0.000 0.977 107 Q CA 1.846 57.661 55.803 0.019 0.000 0.850 107 Q CB -0.024 28.809 28.738 0.158 0.000 0.901 107 Q HN 0.423 nan 8.270 nan 0.000 0.429 108 S N -0.288 115.411 115.700 -0.002 0.000 2.368 108 S HA -0.195 4.275 4.470 0.000 0.000 0.225 108 S C 1.656 176.301 174.600 0.076 0.000 1.030 108 S CA 1.498 59.731 58.200 0.056 0.000 0.999 108 S CB -0.332 62.892 63.200 0.041 0.000 0.844 108 S HN 0.499 nan 8.310 nan 0.000 0.459 109 H N 0.401 119.407 119.070 -0.107 0.000 2.299 109 H HA -0.083 4.473 4.556 0.000 0.000 0.302 109 H C 1.861 177.278 175.328 0.147 0.000 1.078 109 H CA 1.939 57.953 56.048 -0.056 0.000 1.323 109 H CB -0.322 29.280 29.762 -0.267 0.000 1.381 109 H HN 0.366 nan 8.280 nan 0.000 0.498 110 W N 0.858 122.055 121.300 -0.172 0.000 2.363 110 W HA -0.125 4.535 4.660 0.000 0.000 0.296 110 W C 2.773 179.181 176.519 -0.184 0.000 1.212 110 W CA 1.630 58.712 57.345 -0.438 0.000 1.260 110 W CB -1.431 27.375 29.460 -1.090 0.000 1.131 110 W HN 0.471 nan 8.180 nan 0.000 0.530 111 S N -0.801 114.995 115.700 0.161 0.000 2.561 111 S HA -0.078 4.392 4.470 0.000 0.000 0.225 111 S C 1.467 176.244 174.600 0.295 0.000 0.977 111 S CA 1.457 59.871 58.200 0.358 0.000 0.926 111 S CB -0.557 62.867 63.200 0.373 0.000 0.769 111 S HN 0.289 nan 8.310 nan 0.000 0.533 112 T N -3.193 111.500 114.554 0.231 0.000 3.057 112 T HA 0.271 4.621 4.350 0.000 0.000 0.254 112 T C 1.202 175.975 174.700 0.122 0.000 0.965 112 T CA -0.128 62.065 62.100 0.156 0.000 0.978 112 T CB -0.844 68.102 68.868 0.129 0.000 1.169 112 T HN 0.149 nan 8.240 nan 0.000 0.489 113 F N 2.076 122.011 119.950 -0.025 0.000 2.154 113 F HA 0.220 4.747 4.527 0.000 0.000 0.301 113 F C -0.084 175.515 175.800 -0.335 0.000 1.087 113 F CA 0.161 58.090 58.000 -0.120 0.000 1.274 113 F CB -0.155 38.795 39.000 -0.083 0.000 1.009 113 F HN 0.214 nan 8.300 nan 0.000 0.485 114 Y N -0.106 119.963 120.300 -0.386 0.000 2.421 114 Y HA 0.470 5.020 4.550 0.000 0.000 0.339 114 Y C -0.236 175.470 175.900 -0.324 0.000 0.996 114 Y CA -0.982 56.761 58.100 -0.595 0.000 1.046 114 Y CB 1.559 39.291 38.460 -1.214 0.000 1.226 114 Y HN -0.105 nan 8.280 nan 0.000 0.445 115 Q N 0.888 120.520 119.800 -0.280 0.000 2.605 115 Q HA 0.238 4.578 4.340 0.000 0.000 0.296 115 Q C 0.525 175.825 176.000 -1.167 0.000 1.056 115 Q CA -0.947 54.494 55.803 -0.603 0.000 0.778 115 Q CB 2.258 30.802 28.738 -0.322 0.000 1.497 115 Q HN 0.795 nan 8.270 nan 0.000 0.443 116 E N 0.795 119.931 120.200 -1.774 0.000 2.118 116 E HA -0.337 4.013 4.350 0.000 0.000 0.195 116 E C 1.746 178.000 176.600 -0.578 0.000 0.992 116 E CA 1.891 57.354 56.400 -1.561 0.000 0.804 116 E CB 0.238 29.145 29.700 -1.321 0.000 0.741 116 E HN 0.550 nan 8.360 nan 0.000 0.458 117 Q N 1.147 120.699 119.800 -0.414 0.000 2.133 117 Q HA -0.247 4.093 4.340 0.000 0.000 0.208 117 Q C 1.587 177.519 176.000 -0.113 0.000 0.991 117 Q CA 2.478 58.158 55.803 -0.205 0.000 0.867 117 Q CB -0.221 28.411 28.738 -0.176 0.000 0.911 117 Q HN 0.389 nan 8.270 nan 0.000 0.417 118 D N -0.941 119.397 120.400 -0.103 0.000 2.123 118 D HA -0.157 4.484 4.640 0.000 0.000 0.196 118 D C 1.576 177.894 176.300 0.030 0.000 0.992 118 D CA 1.180 55.185 54.000 0.009 0.000 0.833 118 D CB -0.204 40.627 40.800 0.052 0.000 0.954 118 D HN 0.308 nan 8.370 nan 0.000 0.455 119 F N 1.447 121.274 119.950 -0.204 0.000 2.234 119 F HA -0.032 4.495 4.527 0.000 0.000 0.299 119 F C 2.494 178.227 175.800 -0.111 0.000 1.087 119 F CA 0.376 58.285 58.000 -0.151 0.000 1.340 119 F CB -0.776 38.201 39.000 -0.039 0.000 1.031 119 F HN -0.102 nan 8.300 nan 0.000 0.500 120 A N 0.099 122.958 122.820 0.065 0.000 1.898 120 A HA -0.157 4.163 4.320 0.000 0.000 0.216 120 A C 2.200 179.797 177.584 0.021 0.000 1.181 120 A CA 1.639 53.693 52.037 0.028 0.000 0.620 120 A CB -0.675 18.320 19.000 -0.007 0.000 0.819 120 A HN 0.286 nan 8.150 nan 0.000 0.442 121 N N 0.333 119.045 118.700 0.019 0.000 2.084 121 N HA -0.109 4.631 4.740 0.000 0.000 0.190 121 N C 1.665 177.229 175.510 0.090 0.000 1.030 121 N CA 1.554 54.646 53.050 0.071 0.000 0.849 121 N CB -0.495 38.067 38.487 0.125 0.000 1.012 121 N HN 0.555 nan 8.380 nan 0.000 0.423 122 I N 1.201 121.728 120.570 -0.072 0.000 2.118 122 I HA -0.300 3.870 4.170 0.000 0.000 0.241 122 I C 2.291 178.472 176.117 0.106 0.000 1.070 122 I CA 1.369 62.596 61.300 -0.122 0.000 1.327 122 I CB -0.337 37.304 38.000 -0.598 0.000 1.034 122 I HN 0.084 nan 8.210 nan 0.000 0.405 123 A N 0.516 123.348 122.820 0.020 0.000 1.933 123 A HA -0.231 4.089 4.320 0.000 0.000 0.218 123 A C 2.460 180.073 177.584 0.048 0.000 1.175 123 A CA 2.137 54.199 52.037 0.041 0.000 0.628 123 A CB -0.871 18.147 19.000 0.030 0.000 0.814 123 A HN 0.550 nan 8.150 nan 0.000 0.444 124 S N -0.677 115.055 115.700 0.055 0.000 2.447 124 S HA -0.178 4.292 4.470 0.000 0.000 0.233 124 S C 1.554 176.181 174.600 0.046 0.000 1.006 124 S CA 1.384 59.612 58.200 0.046 0.000 0.957 124 S CB -0.377 62.853 63.200 0.050 0.000 0.773 124 S HN 0.672 nan 8.310 nan 0.000 0.507 125 Q N 0.330 120.178 119.800 0.079 0.000 2.320 125 Q HA 0.381 4.721 4.340 0.000 0.000 0.201 125 Q C 1.379 177.260 176.000 -0.199 0.000 0.910 125 Q CA 0.307 56.124 55.803 0.023 0.000 0.946 125 Q CB 0.268 29.135 28.738 0.216 0.000 1.062 125 Q HN 0.763 nan 8.270 nan 0.000 0.503 126 G N 0.043 108.765 108.800 -0.129 0.000 2.217 126 G HA2 -0.270 3.691 3.960 0.000 0.000 0.246 126 G HA3 -0.270 3.691 3.960 0.000 0.000 0.246 126 G C -0.066 174.724 174.900 -0.183 0.000 0.990 126 G CA -0.431 44.567 45.100 -0.171 0.000 0.627 126 G HN 0.267 nan 8.290 nan 0.000 0.522 127 F N 1.711 121.679 119.950 0.031 0.000 2.553 127 F HA 0.393 4.920 4.527 0.000 0.000 0.356 127 F C 1.475 177.205 175.800 -0.116 0.000 1.142 127 F CA 0.420 58.394 58.000 -0.044 0.000 1.322 127 F CB 0.622 39.581 39.000 -0.068 0.000 1.126 127 F HN 0.242 nan 8.300 nan 0.000 0.599 128 N N 1.034 119.740 118.700 0.010 0.000 2.171 128 N HA 0.267 5.007 4.740 0.000 0.000 0.212 128 N C -0.768 174.663 175.510 -0.131 0.000 1.184 128 N CA -0.093 52.914 53.050 -0.072 0.000 0.888 128 N CB 0.677 39.100 38.487 -0.107 0.000 1.038 128 N HN 0.568 nan 8.380 nan 0.000 0.517 129 L N -0.277 120.845 121.223 -0.168 0.000 2.582 129 L HA 0.716 5.056 4.340 0.000 0.000 0.257 129 L C -1.758 174.932 176.870 -0.299 0.000 0.974 129 L CA -1.152 53.545 54.840 -0.239 0.000 0.851 129 L CB 2.091 43.951 42.059 -0.331 0.000 1.424 129 L HN -0.059 nan 8.230 nan 0.000 0.412 130 V N 0.708 120.451 119.914 -0.286 0.000 2.656 130 V HA 0.681 4.802 4.120 0.000 0.000 0.307 130 V C -0.836 175.135 176.094 -0.204 0.000 1.051 130 V CA -0.711 61.389 62.300 -0.333 0.000 0.893 130 V CB 1.667 33.226 31.823 -0.441 0.000 0.999 130 V HN 0.929 nan 8.190 nan 0.000 0.426 131 R N 3.981 124.368 120.500 -0.188 0.000 2.295 131 R HA 0.735 5.075 4.340 0.000 0.000 0.324 131 R C -1.270 175.034 176.300 0.007 0.000 0.968 131 R CA -0.691 55.400 56.100 -0.015 0.000 0.837 131 R CB 1.335 31.638 30.300 0.005 0.000 1.133 131 R HN 0.904 nan 8.270 nan 0.000 0.450 132 I N 7.187 127.803 120.570 0.077 0.000 2.359 132 I HA 0.339 4.509 4.170 0.000 0.000 0.284 132 I C -2.209 173.945 176.117 0.063 0.000 1.018 132 I CA -2.548 58.792 61.300 0.066 0.000 1.173 132 I CB 1.848 39.904 38.000 0.093 0.000 1.326 132 I HN 0.412 nan 8.210 nan 0.000 0.462 133 P HA 0.390 nan 4.420 nan 0.000 0.275 133 P C -0.724 176.548 177.300 -0.047 0.000 1.227 133 P CA -0.172 62.912 63.100 -0.026 0.000 0.781 133 P CB 1.260 32.751 31.700 -0.349 0.000 0.906 134 I N 0.897 121.433 120.570 -0.057 0.000 2.841 134 I HA 0.607 4.777 4.170 0.000 0.000 0.298 134 I C -0.310 175.612 176.117 -0.325 0.000 1.304 134 I CA -0.740 60.441 61.300 -0.199 0.000 1.019 134 I CB 2.032 39.940 38.000 -0.153 0.000 1.282 134 I HN 0.421 nan 8.210 nan 0.000 0.432 135 G N 3.588 111.895 108.800 -0.821 0.000 2.451 135 G HA2 0.206 4.167 3.960 0.000 0.000 0.303 135 G HA3 0.206 4.167 3.960 0.000 0.000 0.303 135 G C 0.049 174.290 174.900 -1.097 0.000 1.166 135 G CA -0.147 44.054 45.100 -1.498 0.000 0.884 135 G HN 0.819 nan 8.290 nan 0.000 0.514 136 Y N -1.198 118.718 120.300 -0.641 0.000 2.274 136 Y HA -0.149 4.401 4.550 0.000 0.000 0.290 136 Y C 2.216 178.040 175.900 -0.126 0.000 1.145 136 Y CA 1.495 59.495 58.100 -0.167 0.000 1.203 136 Y CB -0.661 37.803 38.460 0.007 0.000 0.984 136 Y HN 0.668 nan 8.280 nan 0.000 0.533 137 W N 1.086 121.721 121.300 -1.110 0.000 2.538 137 W HA 0.121 4.781 4.660 0.000 0.000 0.254 137 W C 1.980 178.251 176.519 -0.413 0.000 1.249 137 W CA 0.806 57.658 57.345 -0.823 0.000 1.253 137 W CB -0.979 27.762 29.460 -1.199 0.000 1.130 137 W HN 0.142 nan 8.180 nan 0.000 0.618 138 A N 0.173 122.565 122.820 -0.713 0.000 1.969 138 A HA -0.005 4.315 4.320 0.000 0.000 0.218 138 A C 1.575 178.734 177.584 -0.709 0.000 1.169 138 A CA 1.339 52.946 52.037 -0.717 0.000 0.635 138 A CB -0.905 17.461 19.000 -1.056 0.000 0.810 138 A HN 0.417 nan 8.150 nan 0.000 0.445 139 F N -1.783 118.049 119.950 -0.197 0.000 2.602 139 F HA 0.316 4.843 4.527 0.000 0.000 0.284 139 F C 1.066 176.804 175.800 -0.104 0.000 1.111 139 F CA 0.371 58.267 58.000 -0.172 0.000 1.405 139 F CB 0.440 39.333 39.000 -0.179 0.000 1.121 139 F HN 0.173 nan 8.300 nan 0.000 0.603 140 Q N 1.199 121.108 119.800 0.181 0.000 2.352 140 Q HA 0.404 4.745 4.340 0.000 0.000 0.270 140 Q C -1.606 174.572 176.000 0.297 0.000 1.006 140 Q CA -0.737 55.180 55.803 0.190 0.000 0.880 140 Q CB 2.706 31.557 28.738 0.188 0.000 1.392 140 Q HN 0.110 nan 8.270 nan 0.000 0.401 141 I N 1.007 121.731 120.570 0.256 0.000 2.740 141 I HA 0.517 4.687 4.170 0.000 0.000 0.303 141 I C -0.735 175.558 176.117 0.293 0.000 1.044 141 I CA -1.094 60.409 61.300 0.338 0.000 1.064 141 I CB 0.958 39.105 38.000 0.245 0.000 1.249 141 I HN 0.683 nan 8.210 nan 0.000 0.433 142 L N 3.122 124.552 121.223 0.344 0.000 2.464 142 L HA 0.188 4.528 4.340 0.000 0.000 0.264 142 L C 1.495 178.458 176.870 0.154 0.000 1.199 142 L CA -0.331 54.644 54.840 0.226 0.000 0.818 142 L CB 0.286 42.489 42.059 0.240 0.000 1.102 142 L HN 0.571 nan 8.230 nan 0.000 0.473 143 D N 0.976 121.441 120.400 0.108 0.000 2.158 143 D HA -0.194 4.446 4.640 0.000 0.000 0.197 143 D C 1.012 177.350 176.300 0.063 0.000 0.995 143 D CA 1.777 55.822 54.000 0.076 0.000 0.846 143 D CB -0.047 40.788 40.800 0.059 0.000 0.941 143 D HN 0.683 nan 8.370 nan 0.000 0.456 144 D N 0.154 120.598 120.400 0.072 0.000 2.388 144 D HA -0.018 4.622 4.640 0.000 0.000 0.221 144 D C -0.244 176.067 176.300 0.018 0.000 1.133 144 D CA -0.316 53.713 54.000 0.048 0.000 0.831 144 D CB -0.103 40.734 40.800 0.062 0.000 0.962 144 D HN -0.156 nan 8.370 nan 0.000 0.502 145 D N 2.132 122.550 120.400 0.030 0.000 2.350 145 D HA 0.098 4.738 4.640 0.000 0.000 0.249 145 D C -1.073 175.073 176.300 -0.258 0.000 1.119 145 D CA -1.388 52.561 54.000 -0.086 0.000 0.886 145 D CB 1.981 42.876 40.800 0.158 0.000 1.195 145 D HN 0.082 nan 8.370 nan 0.000 0.437 146 P HA -0.026 nan 4.420 nan 0.000 0.245 146 P C 0.006 177.064 177.300 -0.403 0.000 1.203 146 P CA -0.032 62.759 63.100 -0.516 0.000 0.792 146 P CB 0.298 31.570 31.700 -0.714 0.000 0.997 147 Y N 0.494 120.556 120.300 -0.397 0.000 2.788 147 Y HA -0.025 4.525 4.550 0.000 0.000 0.341 147 Y C 1.437 177.278 175.900 -0.099 0.000 1.258 147 Y CA 0.061 57.957 58.100 -0.340 0.000 1.503 147 Y CB -0.254 37.916 38.460 -0.483 0.000 1.325 147 Y HN -0.283 nan 8.280 nan 0.000 0.614 148 V N 3.208 123.246 119.914 0.206 0.000 2.498 148 V HA 0.358 4.478 4.120 0.000 0.000 0.279 148 V C 0.166 176.427 176.094 0.279 0.000 1.048 148 V CA -0.223 62.216 62.300 0.233 0.000 0.967 148 V CB 1.247 33.254 31.823 0.305 0.000 0.988 148 V HN 0.825 nan 8.190 nan 0.000 0.473 149 S N 2.897 118.700 115.700 0.173 0.000 2.667 149 S HA 0.734 5.204 4.470 0.000 0.000 0.292 149 S C 0.793 175.389 174.600 -0.006 0.000 1.126 149 S CA 0.390 58.637 58.200 0.078 0.000 0.881 149 S CB 1.655 64.898 63.200 0.073 0.000 1.132 149 S HN 1.827 nan 8.310 nan 0.000 0.492 150 G N 0.762 109.485 108.800 -0.129 0.000 2.184 150 G HA2 -0.194 3.766 3.960 0.000 0.000 0.264 150 G HA3 -0.194 3.766 3.960 0.000 0.000 0.264 150 G C 0.473 175.279 174.900 -0.156 0.000 0.975 150 G CA 0.742 45.755 45.100 -0.144 0.000 0.642 150 G HN 0.726 nan 8.290 nan 0.000 0.536 151 L N -1.164 119.950 121.223 -0.181 0.000 2.642 151 L HA 0.219 4.559 4.340 0.000 0.000 0.233 151 L C 2.607 179.253 176.870 -0.374 0.000 1.077 151 L CA 0.724 55.464 54.840 -0.168 0.000 0.879 151 L CB -0.103 42.009 42.059 0.089 0.000 1.151 151 L HN 0.149 nan 8.230 nan 0.000 0.495 152 Q N 0.554 119.971 119.800 -0.639 0.000 2.224 152 Q HA -0.202 4.138 4.340 0.000 0.000 0.203 152 Q C 1.921 177.581 176.000 -0.567 0.000 0.970 152 Q CA 1.239 56.557 55.803 -0.807 0.000 0.865 152 Q CB -0.101 28.068 28.738 -0.948 0.000 0.922 152 Q HN 0.422 nan 8.270 nan 0.000 0.445 153 E N -0.003 119.886 120.200 -0.518 0.000 2.110 153 E HA -0.223 4.127 4.350 0.000 0.000 0.193 153 E C 1.894 178.377 176.600 -0.195 0.000 0.988 153 E CA 1.233 57.453 56.400 -0.300 0.000 0.804 153 E CB -0.106 29.483 29.700 -0.184 0.000 0.745 153 E HN 0.279 nan 8.360 nan 0.000 0.458 154 S N -0.946 114.590 115.700 -0.273 0.000 2.368 154 S HA -0.183 4.287 4.470 0.000 0.000 0.225 154 S C 1.750 176.117 174.600 -0.388 0.000 1.030 154 S CA 1.272 59.283 58.200 -0.315 0.000 0.999 154 S CB -0.391 62.559 63.200 -0.416 0.000 0.844 154 S HN 0.454 nan 8.310 nan 0.000 0.459 155 Y N 1.081 121.193 120.300 -0.313 0.000 2.242 155 Y HA 0.031 4.581 4.550 0.000 0.000 0.291 155 Y C 2.206 177.908 175.900 -0.330 0.000 1.137 155 Y CA 0.986 58.887 58.100 -0.332 0.000 1.181 155 Y CB -0.661 37.455 38.460 -0.573 0.000 0.989 155 Y HN 0.301 nan 8.280 nan 0.000 0.527 156 L N 0.370 121.462 121.223 -0.218 0.000 2.017 156 L HA -0.209 4.131 4.340 0.000 0.000 0.208 156 L C 1.639 178.435 176.870 -0.124 0.000 1.073 156 L CA 2.003 56.748 54.840 -0.157 0.000 0.745 156 L CB -0.844 41.113 42.059 -0.171 0.000 0.894 156 L HN 0.064 nan 8.230 nan 0.000 0.432 157 D N -0.759 119.589 120.400 -0.086 0.000 2.144 157 D HA -0.191 4.449 4.640 0.000 0.000 0.199 157 D C 2.221 178.406 176.300 -0.192 0.000 0.984 157 D CA 1.263 55.252 54.000 -0.019 0.000 0.834 157 D CB -0.109 40.716 40.800 0.043 0.000 0.955 157 D HN 0.548 nan 8.370 nan 0.000 0.465 158 Q N 0.241 119.811 119.800 -0.383 0.000 2.084 158 Q HA -0.068 4.272 4.340 0.000 0.000 0.202 158 Q C 2.233 177.436 176.000 -1.328 0.000 0.978 158 Q CA 1.400 56.737 55.803 -0.776 0.000 0.844 158 Q CB -0.131 28.115 28.738 -0.820 0.000 0.898 158 Q HN 0.229 nan 8.270 nan 0.000 0.426 159 A N 0.907 123.117 122.820 -1.017 0.000 1.933 159 A HA -0.166 4.154 4.320 0.000 0.000 0.218 159 A C 2.017 179.422 177.584 -0.298 0.000 1.175 159 A CA 1.090 52.653 52.037 -0.791 0.000 0.628 159 A CB -0.602 18.311 19.000 -0.145 0.000 0.814 159 A HN 0.308 nan 8.150 nan 0.000 0.444 160 I N -0.431 120.053 120.570 -0.145 0.000 2.315 160 I HA -0.184 3.986 4.170 0.000 0.000 0.248 160 I C 2.645 178.786 176.117 0.040 0.000 1.117 160 I CA 1.032 62.356 61.300 0.041 0.000 1.404 160 I CB -0.547 37.533 38.000 0.132 0.000 1.071 160 I HN 0.406 nan 8.210 nan 0.000 0.419 161 G N 0.401 109.148 108.800 -0.088 0.000 2.402 161 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 161 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 161 G C 1.251 176.199 174.900 0.081 0.000 1.162 161 G CA 0.194 45.274 45.100 -0.034 0.000 0.777 161 G HN 0.280 nan 8.290 nan 0.000 0.539 162 W N 1.215 122.467 121.300 -0.079 0.000 2.363 162 W HA 0.108 4.768 4.660 0.000 0.000 0.296 162 W C 2.865 179.428 176.519 0.074 0.000 1.212 162 W CA 0.658 57.934 57.345 -0.115 0.000 1.260 162 W CB -1.225 27.947 29.460 -0.480 0.000 1.131 162 W HN 0.333 nan 8.180 nan 0.000 0.530 163 A N 0.498 123.549 122.820 0.384 0.000 1.877 163 A HA -0.202 4.118 4.320 0.000 0.000 0.216 163 A C 2.206 179.918 177.584 0.213 0.000 1.186 163 A CA 2.059 54.328 52.037 0.387 0.000 0.620 163 A CB -0.949 18.251 19.000 0.333 0.000 0.822 163 A HN 0.253 nan 8.150 nan 0.000 0.443 164 R N -0.376 120.223 120.500 0.165 0.000 2.081 164 R HA -0.187 4.153 4.340 0.000 0.000 0.235 164 R C 1.873 178.239 176.300 0.109 0.000 1.131 164 R CA 1.827 57.996 56.100 0.114 0.000 0.960 164 R CB -0.374 29.979 30.300 0.089 0.000 0.856 164 R HN 0.503 nan 8.270 nan 0.000 0.436 165 N N 0.751 119.531 118.700 0.133 0.000 2.137 165 N HA -0.149 4.591 4.740 0.000 0.000 0.190 165 N C 0.477 176.050 175.510 0.106 0.000 1.017 165 N CA 1.364 54.487 53.050 0.121 0.000 0.859 165 N CB -0.136 38.447 38.487 0.160 0.000 1.002 165 N HN 0.303 nan 8.380 nan 0.000 0.428 166 N N -0.071 118.708 118.700 0.132 0.000 2.273 166 N HA 0.098 4.838 4.740 0.000 0.000 0.231 166 N C -0.758 174.798 175.510 0.076 0.000 1.134 166 N CA 0.069 53.181 53.050 0.103 0.000 0.856 166 N CB 0.534 39.098 38.487 0.129 0.000 1.068 166 N HN -0.117 nan 8.380 nan 0.000 0.510 167 S N 0.716 116.459 115.700 0.071 0.000 3.631 167 S HA -0.166 4.304 4.470 0.000 0.000 0.366 167 S C -0.140 174.480 174.600 0.033 0.000 0.993 167 S CA 0.492 58.721 58.200 0.047 0.000 1.167 167 S CB -1.395 61.824 63.200 0.032 0.000 0.909 167 S HN 0.366 nan 8.310 nan 0.000 0.478 168 L N 0.614 121.866 121.223 0.049 0.000 2.346 168 L HA 0.531 4.871 4.340 0.000 0.000 0.276 168 L C 0.469 177.345 176.870 0.009 0.000 1.006 168 L CA -1.048 53.798 54.840 0.011 0.000 0.817 168 L CB 1.132 43.197 42.059 0.009 0.000 1.272 168 L HN -0.040 nan 8.230 nan 0.000 0.421 169 K N 1.655 122.024 120.400 -0.052 0.000 2.098 169 K HA 0.674 4.994 4.320 0.000 0.000 0.244 169 K C -0.662 175.922 176.600 -0.027 0.000 1.014 169 K CA -0.553 55.701 56.287 -0.055 0.000 0.917 169 K CB 2.039 34.439 32.500 -0.167 0.000 1.072 169 K HN 0.240 nan 8.250 nan 0.000 0.477 170 V N 0.551 120.492 119.914 0.046 0.000 2.925 170 V HA 0.353 4.473 4.120 0.000 0.000 0.311 170 V C -1.482 174.773 176.094 0.267 0.000 1.104 170 V CA -0.965 61.394 62.300 0.099 0.000 0.954 170 V CB 2.194 34.080 31.823 0.104 0.000 1.022 170 V HN 0.638 nan 8.190 nan 0.000 0.427 171 W N 2.431 123.710 121.300 -0.036 0.000 2.538 171 W HA 0.694 5.354 4.660 0.000 0.000 0.322 171 W C -0.582 175.904 176.519 -0.056 0.000 1.028 171 W CA -1.035 56.294 57.345 -0.026 0.000 1.228 171 W CB 1.892 31.350 29.460 -0.002 0.000 1.356 171 W HN 0.294 nan 8.180 nan 0.000 0.452 172 V N 4.356 124.307 119.914 0.061 0.000 2.406 172 V HA 0.119 4.239 4.120 0.000 0.000 0.272 172 V C -0.364 175.725 176.094 -0.008 0.000 1.043 172 V CA -0.323 61.935 62.300 -0.070 0.000 0.915 172 V CB 1.163 32.812 31.823 -0.290 0.000 0.988 172 V HN 0.385 nan 8.190 nan 0.000 0.466 173 D N 4.861 125.296 120.400 0.059 0.000 2.440 173 D HA 0.270 4.910 4.640 0.000 0.000 0.239 173 D C -0.598 175.762 176.300 0.100 0.000 1.084 173 D CA -0.595 53.474 54.000 0.115 0.000 0.843 173 D CB 1.564 42.526 40.800 0.270 0.000 1.097 173 D HN 0.334 nan 8.370 nan 0.000 0.531 174 L N 4.939 126.194 121.223 0.053 0.000 2.433 174 L HA 0.222 4.562 4.340 0.000 0.000 0.284 174 L C 0.327 177.237 176.870 0.067 0.000 1.120 174 L CA 0.418 55.283 54.840 0.042 0.000 0.879 174 L CB 0.083 42.162 42.059 0.033 0.000 1.232 174 L HN 0.610 nan 8.230 nan 0.000 0.454 175 H N 2.626 121.674 119.070 -0.037 0.000 2.551 175 H HA 0.446 5.002 4.556 0.000 0.000 0.266 175 H C 0.496 175.814 175.328 -0.017 0.000 0.964 175 H CA 0.536 56.581 56.048 -0.005 0.000 1.180 175 H CB 0.574 30.372 29.762 0.061 0.000 1.408 175 H HN 0.649 nan 8.280 nan 0.000 0.563 176 G N -0.583 108.231 108.800 0.024 0.000 2.740 176 G HA2 0.616 4.576 3.960 0.000 0.000 0.296 176 G HA3 0.616 4.576 3.960 0.000 0.000 0.296 176 G C -1.424 173.587 174.900 0.186 0.000 1.439 176 G CA -0.073 45.089 45.100 0.104 0.000 1.066 176 G HN 0.344 nan 8.290 nan 0.000 0.527 177 A N 1.046 123.922 122.820 0.093 0.000 2.330 177 A HA 0.924 5.244 4.320 0.000 0.000 0.329 177 A C 0.646 178.200 177.584 -0.050 0.000 1.135 177 A CA -0.036 51.988 52.037 -0.023 0.000 0.817 177 A CB 1.272 20.058 19.000 -0.358 0.000 1.269 177 A HN 2.230 nan 8.150 nan 0.000 0.469 178 A N 0.102 122.556 122.820 -0.610 0.000 2.548 178 A HA 0.457 4.777 4.320 0.000 0.000 0.247 178 A C 1.562 179.114 177.584 -0.054 0.000 1.067 178 A CA 0.997 52.697 52.037 -0.562 0.000 0.757 178 A CB -0.983 17.644 19.000 -0.623 0.000 0.996 178 A HN 2.763 nan 8.150 nan 0.000 0.504 179 G N 1.032 109.883 108.800 0.085 0.000 2.179 179 G HA2 0.029 3.989 3.960 0.000 0.000 0.260 179 G HA3 0.029 3.989 3.960 0.000 0.000 0.260 179 G C 0.619 175.529 174.900 0.016 0.000 0.977 179 G CA 0.899 46.032 45.100 0.053 0.000 0.641 179 G HN 2.732 nan 8.290 nan 0.000 0.533 180 S N -1.090 114.631 115.700 0.035 0.000 3.089 180 S HA -0.074 4.396 4.470 0.000 0.000 0.857 180 S C 1.078 175.603 174.600 -0.125 0.000 1.012 180 S CA 1.556 59.716 58.200 -0.067 0.000 1.286 180 S CB -0.459 62.639 63.200 -0.170 0.000 0.913 180 S HN 1.924 nan 8.310 nan 0.000 0.247 181 Q N 2.449 122.084 119.800 -0.274 0.000 2.319 181 Q HA 0.121 4.462 4.340 0.000 0.000 0.202 181 Q C 0.641 176.484 176.000 -0.261 0.000 0.896 181 Q CA 1.191 56.785 55.803 -0.349 0.000 0.942 181 Q CB -0.190 28.027 28.738 -0.869 0.000 1.083 181 Q HN 0.982 nan 8.270 nan 0.000 0.510 182 N N -1.672 116.784 118.700 -0.406 0.000 1.938 182 N HA 0.129 4.869 4.740 0.000 0.000 0.225 182 N C 0.889 175.852 175.510 -0.911 0.000 1.400 182 N CA 0.443 53.100 53.050 -0.655 0.000 0.772 182 N CB -0.013 37.846 38.487 -1.047 0.000 1.124 182 N HN 0.166 nan 8.380 nan 0.000 0.513 183 G N -0.279 107.996 108.800 -0.875 0.000 2.166 183 G HA2 -0.278 3.682 3.960 0.000 0.000 0.260 183 G HA3 -0.278 3.682 3.960 0.000 0.000 0.260 183 G C -0.529 174.195 174.900 -0.294 0.000 0.986 183 G CA 0.568 45.135 45.100 -0.888 0.000 0.683 183 G HN 0.269 nan 8.290 nan 0.000 0.527 184 F N 1.062 120.884 119.950 -0.214 0.000 2.377 184 F HA 0.420 4.947 4.527 0.000 0.000 0.328 184 F C 1.648 177.374 175.800 -0.124 0.000 1.094 184 F CA -1.516 56.382 58.000 -0.170 0.000 1.093 184 F CB 0.809 39.708 39.000 -0.167 0.000 1.214 184 F HN 0.106 nan 8.300 nan 0.000 0.518 185 D N -0.262 120.188 120.400 0.083 0.000 2.219 185 D HA -0.199 4.441 4.640 0.000 0.000 0.205 185 D C 0.953 177.313 176.300 0.101 0.000 0.970 185 D CA 1.232 55.252 54.000 0.032 0.000 0.851 185 D CB -0.904 39.859 40.800 -0.062 0.000 0.943 185 D HN 0.686 nan 8.370 nan 0.000 0.488 186 N N 0.560 119.342 118.700 0.137 0.000 2.571 186 N HA -0.097 4.643 4.740 0.000 0.000 0.189 186 N C 0.960 176.647 175.510 0.295 0.000 1.154 186 N CA 0.754 53.936 53.050 0.221 0.000 0.907 186 N CB -0.033 38.568 38.487 0.189 0.000 0.977 186 N HN 0.281 nan 8.380 nan 0.000 0.449 187 S N -1.324 114.506 115.700 0.217 0.000 2.535 187 S HA 0.382 4.853 4.470 0.000 0.000 0.214 187 S C 1.481 176.309 174.600 0.381 0.000 0.980 187 S CA 0.396 58.718 58.200 0.204 0.000 0.907 187 S CB 0.295 63.516 63.200 0.035 0.000 0.790 187 S HN 0.507 nan 8.310 nan 0.000 0.510 188 G N 0.562 109.563 108.800 0.335 0.000 2.313 188 G HA2 -0.185 3.775 3.960 0.000 0.000 0.215 188 G HA3 -0.185 3.775 3.960 0.000 0.000 0.215 188 G C -0.292 174.729 174.900 0.201 0.000 1.023 188 G CA 0.035 45.316 45.100 0.303 0.000 0.626 188 G HN 0.808 nan 8.290 nan 0.000 0.503 189 L N 1.794 123.102 121.223 0.142 0.000 2.377 189 L HA 0.739 5.079 4.340 0.000 0.000 0.270 189 L C 0.365 177.185 176.870 -0.083 0.000 0.991 189 L CA -0.921 53.906 54.840 -0.023 0.000 0.851 189 L CB 1.266 43.264 42.059 -0.102 0.000 1.218 189 L HN 0.358 nan 8.230 nan 0.000 0.420 190 R N 3.366 123.833 120.500 -0.054 0.000 2.539 190 R HA 0.191 4.531 4.340 0.000 0.000 0.275 190 R C -0.296 175.924 176.300 -0.134 0.000 1.077 190 R CA 0.258 56.309 56.100 -0.082 0.000 1.097 190 R CB 0.453 30.730 30.300 -0.038 0.000 1.018 190 R HN 0.786 nan 8.270 nan 0.000 0.483 191 D N 0.382 120.671 120.400 -0.184 0.000 2.837 191 D HA -0.174 4.466 4.640 0.000 0.000 0.230 191 D C -1.105 175.080 176.300 -0.192 0.000 1.152 191 D CA 1.273 55.199 54.000 -0.123 0.000 0.736 191 D CB -0.914 39.899 40.800 0.021 0.000 1.084 191 D HN 0.369 nan 8.370 nan 0.000 0.429 192 S N -0.873 114.511 115.700 -0.526 0.000 2.536 192 S HA 0.623 5.093 4.470 0.000 0.000 0.287 192 S C -0.992 173.207 174.600 -0.668 0.000 1.101 192 S CA -0.593 57.404 58.200 -0.338 0.000 0.950 192 S CB 1.095 64.168 63.200 -0.211 0.000 1.056 192 S HN 0.127 nan 8.310 nan 0.000 0.481 193 Y N 2.264 122.541 120.300 -0.038 0.000 2.658 193 Y HA 0.393 4.943 4.550 0.000 0.000 0.273 193 Y C 0.528 176.431 175.900 0.005 0.000 0.992 193 Y CA -0.545 57.537 58.100 -0.031 0.000 1.105 193 Y CB 0.352 38.784 38.460 -0.048 0.000 1.188 193 Y HN 0.558 nan 8.280 nan 0.000 0.616 194 K N -0.106 120.352 120.400 0.097 0.000 2.500 194 K HA 0.071 4.391 4.320 0.000 0.000 0.206 194 K C 1.289 177.940 176.600 0.085 0.000 1.034 194 K CA -0.111 56.221 56.287 0.075 0.000 1.179 194 K CB 0.008 32.533 32.500 0.041 0.000 0.884 194 K HN 0.289 nan 8.250 nan 0.000 0.493 195 F N 1.686 121.594 119.950 -0.070 0.000 2.063 195 F HA -0.221 4.307 4.527 0.000 0.000 0.298 195 F C 1.161 176.885 175.800 -0.127 0.000 1.109 195 F CA 1.659 59.585 58.000 -0.124 0.000 1.212 195 F CB -0.233 38.677 39.000 -0.150 0.000 0.973 195 F HN -0.004 nan 8.300 nan 0.000 0.480 196 L N 0.246 121.233 121.223 -0.395 0.000 2.610 196 L HA 0.014 4.354 4.340 0.000 0.000 0.232 196 L C 0.738 177.465 176.870 -0.238 0.000 1.149 196 L CA 0.182 54.722 54.840 -0.501 0.000 0.872 196 L CB -0.936 40.891 42.059 -0.387 0.000 0.992 196 L HN 0.167 nan 8.230 nan 0.000 0.447 197 E N 1.270 121.390 120.200 -0.134 0.000 2.415 197 E HA -0.098 4.252 4.350 0.000 0.000 0.260 197 E C 0.412 176.964 176.600 -0.080 0.000 1.016 197 E CA -0.381 55.974 56.400 -0.075 0.000 0.924 197 E CB 0.660 30.340 29.700 -0.032 0.000 0.961 197 E HN 0.180 nan 8.360 nan 0.000 0.459 198 D N 2.866 123.226 120.400 -0.067 0.000 2.191 198 D HA -0.280 4.360 4.640 0.000 0.000 0.190 198 D C 1.574 177.853 176.300 -0.036 0.000 1.007 198 D CA 1.677 55.645 54.000 -0.052 0.000 0.865 198 D CB -0.324 40.456 40.800 -0.033 0.000 0.929 198 D HN 0.421 nan 8.370 nan 0.000 0.447 199 S N 0.188 115.874 115.700 -0.024 0.000 2.359 199 S HA -0.160 4.310 4.470 0.000 0.000 0.224 199 S C 1.712 176.304 174.600 -0.014 0.000 1.035 199 S CA 1.278 59.472 58.200 -0.010 0.000 1.018 199 S CB -0.048 63.153 63.200 0.002 0.000 0.876 199 S HN 0.171 nan 8.310 nan 0.000 0.448 200 N N 1.239 119.923 118.700 -0.026 0.000 2.109 200 N HA -0.037 4.703 4.740 0.000 0.000 0.188 200 N C 1.697 177.174 175.510 -0.054 0.000 1.034 200 N CA 1.040 54.064 53.050 -0.043 0.000 0.846 200 N CB -0.931 37.537 38.487 -0.032 0.000 1.010 200 N HN 0.318 nan 8.380 nan 0.000 0.425 201 L N 1.570 122.752 121.223 -0.069 0.000 2.129 201 L HA -0.116 4.224 4.340 0.000 0.000 0.212 201 L C 2.077 178.950 176.870 0.006 0.000 1.087 201 L CA 1.373 56.170 54.840 -0.072 0.000 0.757 201 L CB -0.847 41.111 42.059 -0.169 0.000 0.896 201 L HN 0.148 nan 8.230 nan 0.000 0.434 202 A N -1.573 121.243 122.820 -0.008 0.000 1.933 202 A HA -0.133 4.187 4.320 0.000 0.000 0.218 202 A C 2.238 179.832 177.584 0.016 0.000 1.175 202 A CA 1.927 53.968 52.037 0.006 0.000 0.628 202 A CB -0.902 18.099 19.000 0.000 0.000 0.814 202 A HN 0.291 nan 8.150 nan 0.000 0.444 203 V N -0.472 119.446 119.914 0.006 0.000 2.323 203 V HA -0.188 3.932 4.120 0.000 0.000 0.244 203 V C 2.714 178.825 176.094 0.029 0.000 1.041 203 V CA 2.370 64.680 62.300 0.017 0.000 1.025 203 V CB -1.333 30.487 31.823 -0.005 0.000 0.656 203 V HN 0.579 nan 8.190 nan 0.000 0.451 204 T N 0.554 115.109 114.554 0.002 0.000 2.720 204 T HA -0.130 4.220 4.350 0.000 0.000 0.268 204 T C 1.914 176.731 174.700 0.195 0.000 1.037 204 T CA 1.396 63.547 62.100 0.084 0.000 1.144 204 T CB -0.225 68.712 68.868 0.115 0.000 0.864 204 T HN 0.173 nan 8.240 nan 0.000 0.444 205 I N 1.819 122.504 120.570 0.191 0.000 2.226 205 I HA -0.126 4.044 4.170 0.000 0.000 0.245 205 I C 2.391 178.501 176.117 -0.011 0.000 1.100 205 I CA 1.274 62.646 61.300 0.120 0.000 1.374 205 I CB -1.107 36.936 38.000 0.071 0.000 1.057 205 I HN 0.247 nan 8.210 nan 0.000 0.413 206 N N 0.708 119.407 118.700 -0.002 0.000 2.166 206 N HA -0.130 4.610 4.740 0.000 0.000 0.186 206 N C 1.815 177.322 175.510 -0.004 0.000 1.019 206 N CA 1.056 54.089 53.050 -0.028 0.000 0.856 206 N CB 0.007 38.496 38.487 0.003 0.000 0.993 206 N HN 0.075 nan 8.380 nan 0.000 0.426 207 V N 0.456 120.390 119.914 0.034 0.000 2.307 207 V HA -0.148 3.972 4.120 0.000 0.000 0.245 207 V C 2.251 178.312 176.094 -0.055 0.000 1.045 207 V CA 1.186 63.493 62.300 0.012 0.000 1.024 207 V CB -0.623 31.265 31.823 0.108 0.000 0.651 207 V HN 0.331 nan 8.190 nan 0.000 0.449 208 L N 0.968 122.181 121.223 -0.017 0.000 2.042 208 L HA -0.169 4.171 4.340 0.000 0.000 0.210 208 L C 2.166 178.982 176.870 -0.090 0.000 1.076 208 L CA 2.012 56.820 54.840 -0.053 0.000 0.749 208 L CB -1.023 41.012 42.059 -0.039 0.000 0.893 208 L HN 0.314 nan 8.230 nan 0.000 0.432 209 N N -1.378 117.237 118.700 -0.141 0.000 2.166 209 N HA -0.256 4.484 4.740 0.000 0.000 0.186 209 N C 1.813 177.321 175.510 -0.002 0.000 1.019 209 N CA 1.638 54.562 53.050 -0.211 0.000 0.856 209 N CB -0.595 37.501 38.487 -0.652 0.000 0.993 209 N HN 0.570 nan 8.380 nan 0.000 0.426 210 Y N 1.456 121.673 120.300 -0.140 0.000 2.145 210 Y HA -0.064 4.486 4.550 0.000 0.000 0.286 210 Y C 2.112 177.900 175.900 -0.186 0.000 1.145 210 Y CA 1.343 59.358 58.100 -0.141 0.000 1.148 210 Y CB -0.342 38.002 38.460 -0.193 0.000 0.981 210 Y HN -0.027 nan 8.280 nan 0.000 0.507 211 I N -0.384 120.059 120.570 -0.212 0.000 2.179 211 I HA -0.332 3.838 4.170 0.000 0.000 0.242 211 I C 2.338 178.397 176.117 -0.097 0.000 1.088 211 I CA 1.331 62.527 61.300 -0.173 0.000 1.357 211 I CB -0.497 37.407 38.000 -0.161 0.000 1.051 211 I HN 0.250 nan 8.210 nan 0.000 0.409 212 L N 0.636 121.822 121.223 -0.062 0.000 2.012 212 L HA -0.256 4.084 4.340 0.000 0.000 0.210 212 L C 2.676 179.501 176.870 -0.076 0.000 1.073 212 L CA 1.570 56.395 54.840 -0.025 0.000 0.748 212 L CB -0.580 41.522 42.059 0.071 0.000 0.891 212 L HN 0.238 nan 8.230 nan 0.000 0.431 213 K N 0.637 120.991 120.400 -0.076 0.000 2.002 213 K HA -0.253 4.067 4.320 0.000 0.000 0.209 213 K C 2.267 178.704 176.600 -0.272 0.000 1.048 213 K CA 1.704 57.898 56.287 -0.156 0.000 0.930 213 K CB -0.001 32.444 32.500 -0.090 0.000 0.714 213 K HN 0.095 nan 8.250 nan 0.000 0.438 214 K N -0.407 119.695 120.400 -0.497 0.000 2.001 214 K HA -0.149 4.171 4.320 0.000 0.000 0.208 214 K C 1.395 177.603 176.600 -0.653 0.000 1.048 214 K CA 1.479 57.362 56.287 -0.673 0.000 0.932 214 K CB -0.112 31.694 32.500 -1.156 0.000 0.715 214 K HN 0.167 nan 8.250 nan 0.000 0.437 215 Y N 0.468 120.563 120.300 -0.342 0.000 2.462 215 Y HA 0.139 4.689 4.550 0.000 0.000 0.293 215 Y C 1.247 177.074 175.900 -0.120 0.000 1.195 215 Y CA 0.030 57.892 58.100 -0.397 0.000 1.276 215 Y CB 0.586 38.790 38.460 -0.426 0.000 1.082 215 Y HN 0.027 nan 8.280 nan 0.000 0.514 216 S N -0.770 114.932 115.700 0.003 0.000 2.559 216 S HA 0.408 4.878 4.470 0.000 0.000 0.226 216 S C 1.048 175.678 174.600 0.050 0.000 1.000 216 S CA -0.209 58.011 58.200 0.034 0.000 0.948 216 S CB 0.042 63.221 63.200 -0.036 0.000 0.870 216 S HN 0.301 nan 8.310 nan 0.000 0.497 217 A N 1.457 124.323 122.820 0.077 0.000 2.366 217 A HA 0.375 4.695 4.320 0.000 0.000 0.249 217 A C 1.359 178.996 177.584 0.088 0.000 1.084 217 A CA -0.203 51.872 52.037 0.062 0.000 0.794 217 A CB 0.130 19.165 19.000 0.058 0.000 1.034 217 A HN 0.214 nan 8.150 nan 0.000 0.491 218 E N 0.669 120.889 120.200 0.033 0.000 2.114 218 E HA -0.274 4.076 4.350 0.000 0.000 0.199 218 E C 1.785 178.387 176.600 0.003 0.000 1.008 218 E CA 2.391 58.806 56.400 0.025 0.000 0.810 218 E CB -0.237 29.463 29.700 -0.000 0.000 0.739 218 E HN 0.849 nan 8.360 nan 0.000 0.456 219 E N -1.591 118.565 120.200 -0.073 0.000 2.401 219 E HA -0.212 4.138 4.350 0.000 0.000 0.199 219 E C 1.040 177.482 176.600 -0.264 0.000 1.023 219 E CA 1.033 57.310 56.400 -0.205 0.000 0.859 219 E CB -0.271 29.218 29.700 -0.351 0.000 0.780 219 E HN 0.448 nan 8.360 nan 0.000 0.523 220 Y N 0.227 120.551 120.300 0.040 0.000 2.444 220 Y HA 0.282 4.832 4.550 0.000 0.000 0.252 220 Y C 1.923 177.875 175.900 0.087 0.000 1.091 220 Y CA -0.288 57.858 58.100 0.077 0.000 1.276 220 Y CB 0.335 38.865 38.460 0.117 0.000 1.170 220 Y HN -0.061 nan 8.280 nan 0.000 0.517 221 L N 0.070 121.422 121.223 0.215 0.000 2.129 221 L HA -0.270 4.070 4.340 0.000 0.000 0.212 221 L C 1.925 178.894 176.870 0.164 0.000 1.087 221 L CA 2.007 56.957 54.840 0.183 0.000 0.757 221 L CB -0.291 41.863 42.059 0.158 0.000 0.896 221 L HN 0.204 nan 8.230 nan 0.000 0.434 222 D N -0.286 120.193 120.400 0.131 0.000 2.183 222 D HA -0.141 4.500 4.640 0.000 0.000 0.203 222 D C 2.027 178.390 176.300 0.105 0.000 0.969 222 D CA 0.959 55.026 54.000 0.111 0.000 0.842 222 D CB 0.327 41.173 40.800 0.078 0.000 0.957 222 D HN 0.103 nan 8.370 nan 0.000 0.484 223 I N 0.061 120.706 120.570 0.125 0.000 2.729 223 I HA 0.063 4.234 4.170 0.000 0.000 0.256 223 I C 0.453 176.647 176.117 0.128 0.000 1.115 223 I CA 0.353 61.724 61.300 0.119 0.000 1.446 223 I CB -0.352 37.734 38.000 0.144 0.000 1.176 223 I HN -0.180 nan 8.210 nan 0.000 0.446 224 V N 4.901 124.923 119.914 0.180 0.000 2.405 224 V HA 0.108 4.228 4.120 0.000 0.000 0.264 224 V C 1.039 177.228 176.094 0.159 0.000 1.048 224 V CA 0.055 62.451 62.300 0.160 0.000 0.966 224 V CB 0.622 32.534 31.823 0.149 0.000 1.015 224 V HN 0.265 nan 8.190 nan 0.000 0.477 225 I N 1.912 122.585 120.570 0.171 0.000 3.877 225 I HA 0.756 4.927 4.170 0.000 0.000 0.332 225 I C 0.570 176.846 176.117 0.264 0.000 1.525 225 I CA -0.158 61.251 61.300 0.181 0.000 1.146 225 I CB 0.556 38.541 38.000 -0.024 0.000 1.137 225 I HN 0.572 nan 8.210 nan 0.000 0.424 226 G N 1.716 110.588 108.800 0.120 0.000 2.658 226 G HA2 0.554 4.514 3.960 0.000 0.000 0.301 226 G HA3 0.554 4.514 3.960 0.000 0.000 0.301 226 G C -1.558 173.172 174.900 -0.284 0.000 1.481 226 G CA -0.527 44.434 45.100 -0.231 0.000 0.931 226 G HN 0.137 nan 8.290 nan 0.000 0.573 227 I N 1.230 121.622 120.570 -0.298 0.000 2.439 227 I HA 0.302 4.473 4.170 0.000 0.000 0.285 227 I C -0.200 175.749 176.117 -0.279 0.000 1.021 227 I CA -0.651 60.518 61.300 -0.217 0.000 1.091 227 I CB 2.288 40.214 38.000 -0.123 0.000 1.242 227 I HN 0.578 nan 8.210 nan 0.000 0.439 228 E N 6.002 126.051 120.200 -0.253 0.000 2.152 228 E HA 0.249 4.599 4.350 0.000 0.000 0.285 228 E C 0.732 177.272 176.600 -0.099 0.000 1.043 228 E CA -0.373 55.894 56.400 -0.222 0.000 0.839 228 E CB 0.988 30.602 29.700 -0.143 0.000 1.069 228 E HN 0.602 nan 8.360 nan 0.000 0.399 229 L N 4.103 125.275 121.223 -0.085 0.000 2.079 229 L HA -0.027 4.313 4.340 0.000 0.000 0.210 229 L C 0.808 177.777 176.870 0.165 0.000 1.081 229 L CA 0.743 55.593 54.840 0.017 0.000 0.752 229 L CB -0.277 41.781 42.059 -0.002 0.000 0.896 229 L HN 0.570 nan 8.230 nan 0.000 0.433 230 I N -1.021 119.591 120.570 0.070 0.000 2.735 230 I HA 0.199 4.369 4.170 0.000 0.000 0.287 230 I C -0.798 175.234 176.117 -0.142 0.000 1.452 230 I CA -0.699 60.576 61.300 -0.042 0.000 1.061 230 I CB 1.393 39.304 38.000 -0.150 0.000 1.383 230 I HN -0.082 nan 8.210 nan 0.000 0.425 231 N N 5.513 124.087 118.700 -0.209 0.000 2.497 231 N HA 0.270 5.010 4.740 0.000 0.000 0.271 231 N C -0.485 174.735 175.510 -0.484 0.000 1.142 231 N CA 0.462 53.313 53.050 -0.333 0.000 0.965 231 N CB 0.551 38.762 38.487 -0.460 0.000 1.077 231 N HN 0.580 nan 8.380 nan 0.000 0.462 232 E N 0.357 120.035 120.200 -0.869 0.000 2.149 232 E HA -0.201 4.149 4.350 0.000 0.000 0.191 232 E C -2.148 174.322 176.600 -0.217 0.000 1.384 232 E CA 0.054 55.950 56.400 -0.840 0.000 0.698 232 E CB -1.295 28.223 29.700 -0.303 0.000 1.086 232 E HN 0.585 nan 8.360 nan 0.000 0.338 233 P HA -0.021 nan 4.420 nan 0.000 0.271 233 P C -0.031 177.367 177.300 0.163 0.000 1.216 233 P CA -0.356 62.703 63.100 -0.070 0.000 0.771 233 P CB 0.750 32.442 31.700 -0.014 0.000 0.864 234 L N 4.473 125.775 121.223 0.131 0.000 2.382 234 L HA 0.209 4.549 4.340 0.000 0.000 0.259 234 L C 1.769 178.754 176.870 0.191 0.000 1.291 234 L CA 0.450 55.419 54.840 0.215 0.000 1.176 234 L CB -1.071 40.983 42.059 -0.009 0.000 1.373 234 L HN 0.575 nan 8.230 nan 0.000 0.426 235 G N 3.852 112.806 108.800 0.257 0.000 2.574 235 G HA2 -0.285 3.675 3.960 0.000 0.000 0.220 235 G HA3 -0.285 3.675 3.960 0.000 0.000 0.220 235 G C -0.623 174.306 174.900 0.048 0.000 1.173 235 G CA 0.970 46.143 45.100 0.122 0.000 0.772 235 G HN 0.579 nan 8.290 nan 0.000 0.585 236 P HA -0.057 nan 4.420 nan 0.000 0.218 236 P C 1.779 179.066 177.300 -0.021 0.000 1.146 236 P CA 1.797 64.898 63.100 0.001 0.000 0.813 236 P CB -0.085 31.617 31.700 0.002 0.000 0.778 237 V N -6.195 113.706 119.914 -0.021 0.000 3.528 237 V HA 0.268 4.388 4.120 0.000 0.000 0.294 237 V C 0.469 176.548 176.094 -0.025 0.000 1.404 237 V CA 0.107 62.372 62.300 -0.059 0.000 1.065 237 V CB -0.622 31.113 31.823 -0.147 0.000 0.904 237 V HN -0.136 nan 8.190 nan 0.000 0.435 238 L N 0.318 121.550 121.223 0.015 0.000 2.331 238 L HA 0.607 4.947 4.340 0.000 0.000 0.268 238 L C -0.240 176.633 176.870 0.004 0.000 1.015 238 L CA -0.661 54.197 54.840 0.030 0.000 0.807 238 L CB 1.372 43.486 42.059 0.091 0.000 1.293 238 L HN 0.002 nan 8.230 nan 0.000 0.451 239 D N 1.700 122.094 120.400 -0.010 0.000 2.453 239 D HA 0.086 4.726 4.640 0.000 0.000 0.223 239 D C 0.990 177.282 176.300 -0.014 0.000 1.183 239 D CA -0.295 53.693 54.000 -0.020 0.000 0.933 239 D CB 0.923 41.702 40.800 -0.034 0.000 1.038 239 D HN 0.358 nan 8.370 nan 0.000 0.513 240 M N 1.902 121.496 119.600 -0.010 0.000 2.144 240 M HA -0.178 4.302 4.480 0.000 0.000 0.260 240 M C 1.137 177.422 176.300 -0.024 0.000 1.067 240 M CA 1.302 56.594 55.300 -0.013 0.000 1.095 240 M CB -0.505 32.077 32.600 -0.031 0.000 1.365 240 M HN 0.394 nan 8.290 nan 0.000 0.406 241 D N -0.193 120.193 120.400 -0.024 0.000 2.144 241 D HA -0.150 4.490 4.640 0.000 0.000 0.200 241 D C 2.025 178.326 176.300 0.000 0.000 0.978 241 D CA 1.096 55.085 54.000 -0.018 0.000 0.833 241 D CB -0.157 40.636 40.800 -0.012 0.000 0.961 241 D HN 0.427 nan 8.370 nan 0.000 0.470 242 K N 0.433 120.825 120.400 -0.013 0.000 2.057 242 K HA -0.079 4.241 4.320 0.000 0.000 0.206 242 K C 2.201 178.795 176.600 -0.009 0.000 1.050 242 K CA 0.627 56.901 56.287 -0.022 0.000 0.935 242 K CB -0.058 32.406 32.500 -0.060 0.000 0.715 242 K HN 0.010 nan 8.250 nan 0.000 0.439 243 M N 0.871 120.467 119.600 -0.007 0.000 2.117 243 M HA -0.221 4.260 4.480 0.000 0.000 0.262 243 M C 1.647 178.047 176.300 0.167 0.000 1.065 243 M CA 1.763 57.100 55.300 0.061 0.000 1.114 243 M CB 0.022 32.697 32.600 0.124 0.000 1.361 243 M HN 0.023 nan 8.290 nan 0.000 0.408 244 K N 0.154 120.615 120.400 0.101 0.000 1.985 244 K HA -0.123 4.197 4.320 0.000 0.000 0.210 244 K C 1.664 178.414 176.600 0.250 0.000 1.047 244 K CA 1.788 58.154 56.287 0.132 0.000 0.932 244 K CB -0.389 32.067 32.500 -0.074 0.000 0.716 244 K HN 0.482 nan 8.250 nan 0.000 0.439 245 N N 0.949 119.745 118.700 0.160 0.000 2.300 245 N HA -0.092 4.648 4.740 0.000 0.000 0.179 245 N C 0.724 176.299 175.510 0.109 0.000 1.016 245 N CA 1.189 54.322 53.050 0.138 0.000 0.876 245 N CB 0.001 38.542 38.487 0.090 0.000 0.979 245 N HN 0.191 nan 8.380 nan 0.000 0.432 246 D N -1.439 119.018 120.400 0.095 0.000 2.360 246 D HA 0.052 4.692 4.640 0.000 0.000 0.210 246 D C 0.838 177.225 176.300 0.144 0.000 1.047 246 D CA 0.206 54.252 54.000 0.077 0.000 0.854 246 D CB 0.368 41.179 40.800 0.019 0.000 0.936 246 D HN 0.237 nan 8.370 nan 0.000 0.514 247 Y N -0.368 119.950 120.300 0.030 0.000 3.116 247 Y HA 0.252 4.802 4.550 0.000 0.000 0.220 247 Y C 1.468 177.438 175.900 0.116 0.000 0.965 247 Y CA 0.130 58.263 58.100 0.056 0.000 1.476 247 Y CB -0.128 38.368 38.460 0.059 0.000 1.493 247 Y HN -0.232 nan 8.280 nan 0.000 0.423 248 L N 0.323 121.666 121.223 0.200 0.000 2.005 248 L HA -0.094 4.246 4.340 0.000 0.000 0.207 248 L C 2.653 179.629 176.870 0.177 0.000 1.072 248 L CA 1.529 56.474 54.840 0.175 0.000 0.744 248 L CB -1.012 41.273 42.059 0.377 0.000 0.895 248 L HN 0.320 nan 8.230 nan 0.000 0.433 249 A N 0.400 123.373 122.820 0.254 0.000 1.877 249 A HA -0.113 4.207 4.320 0.000 0.000 0.216 249 A C 0.063 177.729 177.584 0.136 0.000 1.186 249 A CA 1.728 53.870 52.037 0.175 0.000 0.620 249 A CB -1.830 17.275 19.000 0.174 0.000 0.822 249 A HN 0.280 nan 8.150 nan 0.000 0.443 250 P HA -0.100 nan 4.420 nan 0.000 0.216 250 P C 1.702 179.029 177.300 0.044 0.000 1.150 250 P CA 1.782 64.915 63.100 0.055 0.000 0.837 250 P CB -0.088 31.620 31.700 0.014 0.000 0.786 251 A N -1.243 121.562 122.820 -0.025 0.000 1.877 251 A HA -0.244 4.076 4.320 0.000 0.000 0.216 251 A C 2.283 179.893 177.584 0.043 0.000 1.186 251 A CA 1.528 53.538 52.037 -0.045 0.000 0.620 251 A CB -1.936 16.951 19.000 -0.188 0.000 0.822 251 A HN 0.157 nan 8.150 nan 0.000 0.443 252 Y N 0.681 120.955 120.300 -0.043 0.000 2.181 252 Y HA -0.209 4.341 4.550 0.000 0.000 0.288 252 Y C 2.371 178.230 175.900 -0.069 0.000 1.146 252 Y CA 2.331 60.394 58.100 -0.063 0.000 1.164 252 Y CB -0.324 38.121 38.460 -0.024 0.000 0.982 252 Y HN 0.449 nan 8.280 nan 0.000 0.515 253 E N -0.549 119.785 120.200 0.223 0.000 2.058 253 E HA -0.308 4.042 4.350 0.000 0.000 0.194 253 E C 2.134 178.753 176.600 0.031 0.000 0.997 253 E CA 1.932 58.407 56.400 0.125 0.000 0.801 253 E CB -0.998 28.773 29.700 0.120 0.000 0.746 253 E HN 0.604 nan 8.360 nan 0.000 0.450 254 Y N 0.147 120.404 120.300 -0.072 0.000 2.128 254 Y HA -0.171 4.380 4.550 0.000 0.000 0.284 254 Y C 2.075 177.892 175.900 -0.140 0.000 1.154 254 Y CA 1.890 59.934 58.100 -0.093 0.000 1.149 254 Y CB -0.592 37.815 38.460 -0.087 0.000 0.976 254 Y HN 0.255 nan 8.280 nan 0.000 0.505 255 L N 0.510 121.607 121.223 -0.210 0.000 2.027 255 L HA -0.138 4.202 4.340 0.000 0.000 0.206 255 L C 2.325 178.960 176.870 -0.391 0.000 1.074 255 L CA 1.797 56.431 54.840 -0.344 0.000 0.745 255 L CB -0.616 41.261 42.059 -0.303 0.000 0.898 255 L HN 0.084 nan 8.230 nan 0.000 0.433 256 R N -0.515 119.707 120.500 -0.464 0.000 2.100 256 R HA 0.069 4.409 4.340 0.000 0.000 0.220 256 R C 1.625 177.783 176.300 -0.237 0.000 1.091 256 R CA 1.071 56.916 56.100 -0.425 0.000 0.986 256 R CB -0.506 29.400 30.300 -0.657 0.000 0.888 256 R HN 0.490 nan 8.270 nan 0.000 0.444 257 N N 0.120 118.705 118.700 -0.191 0.000 2.368 257 N HA -0.049 4.691 4.740 0.000 0.000 0.178 257 N C 1.226 176.658 175.510 -0.131 0.000 1.076 257 N CA 0.370 53.349 53.050 -0.119 0.000 0.889 257 N CB 0.043 38.491 38.487 -0.066 0.000 1.040 257 N HN 0.193 nan 8.380 nan 0.000 0.463 258 N N 1.196 119.774 118.700 -0.205 0.000 2.413 258 N HA 0.082 4.822 4.740 0.000 0.000 0.193 258 N C 1.434 176.756 175.510 -0.313 0.000 1.043 258 N CA 0.332 53.239 53.050 -0.238 0.000 0.910 258 N CB 0.228 38.540 38.487 -0.291 0.000 1.111 258 N HN -0.114 nan 8.380 nan 0.000 0.452 259 I N 1.433 121.711 120.570 -0.487 0.000 2.394 259 I HA -0.069 4.101 4.170 0.000 0.000 0.251 259 I C 0.306 176.286 176.117 -0.228 0.000 1.136 259 I CA 0.784 61.853 61.300 -0.386 0.000 1.425 259 I CB -0.926 36.799 38.000 -0.458 0.000 1.079 259 I HN 0.276 nan 8.210 nan 0.000 0.425 260 K N 1.181 121.453 120.400 -0.214 0.000 3.239 260 K HA -0.150 4.170 4.320 0.000 0.000 0.270 260 K C 0.235 176.784 176.600 -0.085 0.000 1.049 260 K CA 0.424 56.633 56.287 -0.129 0.000 0.769 260 K CB -1.465 30.982 32.500 -0.088 0.000 1.305 260 K HN 0.352 nan 8.250 nan 0.000 0.469 261 S N 0.475 116.110 115.700 -0.108 0.000 2.607 261 S HA 0.400 4.870 4.470 0.000 0.000 0.303 261 S C 0.241 174.848 174.600 0.012 0.000 1.086 261 S CA -0.428 57.751 58.200 -0.035 0.000 0.995 261 S CB 1.304 64.472 63.200 -0.055 0.000 1.084 261 S HN 0.317 nan 8.310 nan 0.000 0.507 262 D N 1.340 121.835 120.400 0.159 0.000 2.358 262 D HA 0.145 4.785 4.640 0.000 0.000 0.224 262 D C 0.375 176.893 176.300 0.364 0.000 1.123 262 D CA -0.247 53.976 54.000 0.371 0.000 0.833 262 D CB -0.182 40.914 40.800 0.494 0.000 0.946 262 D HN 0.353 nan 8.370 nan 0.000 0.505 263 Q N 0.639 120.539 119.800 0.167 0.000 2.349 263 Q HA 0.143 4.484 4.340 0.000 0.000 0.287 263 Q C -0.638 175.448 176.000 0.143 0.000 1.044 263 Q CA -0.148 55.749 55.803 0.158 0.000 0.918 263 Q CB 0.987 29.762 28.738 0.061 0.000 1.242 263 Q HN 0.076 nan 8.270 nan 0.000 0.405 264 V N 6.143 126.180 119.914 0.204 0.000 2.498 264 V HA 0.261 4.381 4.120 0.000 0.000 0.279 264 V C 0.347 176.446 176.094 0.008 0.000 1.048 264 V CA -0.391 62.032 62.300 0.206 0.000 0.967 264 V CB 0.450 32.518 31.823 0.408 0.000 0.988 264 V HN 0.781 nan 8.190 nan 0.000 0.473 265 I N 3.393 123.934 120.570 -0.048 0.000 2.437 265 I HA 0.598 4.768 4.170 0.000 0.000 0.298 265 I C -0.714 175.257 176.117 -0.243 0.000 0.984 265 I CA -0.471 60.740 61.300 -0.149 0.000 1.214 265 I CB 1.364 39.298 38.000 -0.110 0.000 1.365 265 I HN 0.262 nan 8.210 nan 0.000 0.469 266 I N 6.849 127.192 120.570 -0.378 0.000 2.339 266 I HA 0.445 4.615 4.170 0.000 0.000 0.290 266 I C -0.127 175.763 176.117 -0.377 0.000 0.994 266 I CA -0.584 60.409 61.300 -0.512 0.000 1.191 266 I CB 1.333 38.789 38.000 -0.905 0.000 1.343 266 I HN 0.606 nan 8.210 nan 0.000 0.458 267 I N 5.571 125.898 120.570 -0.406 0.000 2.355 267 I HA 0.196 4.366 4.170 0.000 0.000 0.288 267 I C 0.142 175.937 176.117 -0.536 0.000 0.999 267 I CA -0.776 60.258 61.300 -0.444 0.000 1.163 267 I CB 1.297 38.947 38.000 -0.584 0.000 1.316 267 I HN 0.538 nan 8.210 nan 0.000 0.454 268 H N 5.493 124.280 119.070 -0.471 0.000 2.790 268 H HA -0.013 4.543 4.556 0.000 0.000 0.358 268 H C 0.850 175.837 175.328 -0.568 0.000 1.103 268 H CA 0.033 55.779 56.048 -0.503 0.000 1.426 268 H CB 0.929 30.414 29.762 -0.462 0.000 1.424 268 H HN 0.663 nan 8.280 nan 0.000 0.599 269 D N 3.699 123.348 120.400 -1.252 0.000 2.392 269 D HA -0.077 4.563 4.640 0.000 0.000 0.228 269 D C 1.139 177.371 176.300 -0.113 0.000 1.003 269 D CA 0.746 54.412 54.000 -0.557 0.000 0.917 269 D CB -0.706 39.971 40.800 -0.204 0.000 0.890 269 D HN 0.791 nan 8.370 nan 0.000 0.532 270 A N -0.989 121.652 122.820 -0.299 0.000 2.816 270 A HA -0.249 4.071 4.320 0.000 0.000 0.270 270 A C 0.909 178.532 177.584 0.064 0.000 1.413 270 A CA 0.865 52.917 52.037 0.024 0.000 0.866 270 A CB -2.722 16.422 19.000 0.241 0.000 1.032 270 A HN 0.490 nan 8.150 nan 0.000 0.642 271 F N -3.559 116.450 119.950 0.097 0.000 2.953 271 F HA -0.236 4.292 4.527 0.000 0.000 0.292 271 F C 0.862 176.676 175.800 0.023 0.000 0.747 271 F CA 1.307 59.362 58.000 0.092 0.000 1.222 271 F CB -2.051 37.024 39.000 0.125 0.000 1.457 271 F HN 0.625 nan 8.300 nan 0.000 0.383 272 Q N 1.736 121.577 119.800 0.069 0.000 2.312 272 Q HA 0.384 4.724 4.340 0.000 0.000 0.236 272 Q C -1.624 174.436 176.000 0.100 0.000 0.965 272 Q CA -1.391 54.354 55.803 -0.096 0.000 0.894 272 Q CB 0.488 28.831 28.738 -0.657 0.000 1.225 272 Q HN 0.051 nan 8.270 nan 0.000 0.478 273 P HA 0.032 nan 4.420 nan 0.000 0.272 273 P C -0.496 177.011 177.300 0.345 0.000 1.240 273 P CA -0.272 62.928 63.100 0.166 0.000 0.791 273 P CB 0.375 32.154 31.700 0.132 0.000 0.978 274 Y N 0.741 121.144 120.300 0.171 0.000 2.788 274 Y HA -0.107 4.443 4.550 0.000 0.000 0.341 274 Y C 1.805 177.845 175.900 0.233 0.000 1.258 274 Y CA 0.627 58.844 58.100 0.194 0.000 1.503 274 Y CB -1.092 37.450 38.460 0.137 0.000 1.325 274 Y HN 0.635 nan 8.280 nan 0.000 0.614 275 N N -0.997 117.949 118.700 0.410 0.000 2.972 275 N HA -0.356 4.385 4.740 0.000 0.000 0.225 275 N C 0.886 176.545 175.510 0.248 0.000 0.883 275 N CA 1.110 54.332 53.050 0.286 0.000 1.010 275 N CB -1.737 36.876 38.487 0.209 0.000 1.052 275 N HN 0.720 nan 8.380 nan 0.000 0.598 276 Y N -0.029 120.365 120.300 0.156 0.000 2.151 276 Y HA -0.198 4.352 4.550 0.000 0.000 0.284 276 Y C 1.378 177.182 175.900 -0.160 0.000 1.166 276 Y CA 2.059 60.121 58.100 -0.063 0.000 1.163 276 Y CB -0.243 38.100 38.460 -0.197 0.000 0.974 276 Y HN 0.325 nan 8.280 nan 0.000 0.511 277 W N 0.709 122.131 121.300 0.204 0.000 3.256 277 W HA 0.087 4.748 4.660 0.000 0.000 0.269 277 W C 1.604 178.264 176.519 0.234 0.000 1.310 277 W CA 0.203 57.636 57.345 0.147 0.000 1.673 277 W CB -0.084 29.481 29.460 0.175 0.000 1.115 277 W HN 0.024 nan 8.180 nan 0.000 0.686 278 D N 0.774 121.356 120.400 0.302 0.000 2.182 278 D HA -0.197 4.443 4.640 0.000 0.000 0.201 278 D C 1.434 177.789 176.300 0.093 0.000 0.986 278 D CA 1.851 55.958 54.000 0.177 0.000 0.847 278 D CB -0.467 40.386 40.800 0.089 0.000 0.942 278 D HN 0.360 nan 8.370 nan 0.000 0.467 279 D N -1.279 119.154 120.400 0.056 0.000 2.328 279 D HA -0.047 4.593 4.640 0.000 0.000 0.221 279 D C -0.092 176.261 176.300 0.089 0.000 1.072 279 D CA -0.392 53.618 54.000 0.017 0.000 0.850 279 D CB -0.514 40.255 40.800 -0.052 0.000 0.922 279 D HN 0.029 nan 8.370 nan 0.000 0.516 280 F N 1.260 121.222 119.950 0.020 0.000 2.443 280 F HA 0.399 4.926 4.527 0.000 0.000 0.335 280 F C 0.383 176.147 175.800 -0.060 0.000 1.104 280 F CA -1.442 56.549 58.000 -0.014 0.000 1.013 280 F CB 1.096 40.180 39.000 0.141 0.000 1.136 280 F HN -0.122 nan 8.300 nan 0.000 0.470 281 M N 4.044 123.002 119.600 -1.071 0.000 2.460 281 M HA -0.197 4.283 4.480 0.000 0.000 0.182 281 M C -0.015 176.002 176.300 -0.472 0.000 0.903 281 M CA 0.853 55.297 55.300 -1.427 0.000 0.555 281 M CB -2.004 29.821 32.600 -1.292 0.000 1.106 281 M HN 0.682 nan 8.290 nan 0.000 0.867 282 T N -3.638 110.729 114.554 -0.312 0.000 2.882 282 T HA 0.289 4.639 4.350 0.000 0.000 0.287 282 T C 0.984 175.695 174.700 0.017 0.000 1.014 282 T CA -0.461 61.569 62.100 -0.116 0.000 1.049 282 T CB 1.581 70.394 68.868 -0.092 0.000 1.001 282 T HN 0.514 nan 8.240 nan 0.000 0.525 283 E N 0.754 120.947 120.200 -0.011 0.000 2.150 283 E HA -0.136 4.214 4.350 0.000 0.000 0.193 283 E C 2.067 178.706 176.600 0.065 0.000 0.985 283 E CA 0.847 57.280 56.400 0.056 0.000 0.814 283 E CB -0.170 29.539 29.700 0.014 0.000 0.752 283 E HN 0.704 nan 8.360 nan 0.000 0.466 284 N N 0.722 119.441 118.700 0.031 0.000 2.272 284 N HA -0.132 4.608 4.740 0.000 0.000 0.185 284 N C 0.743 176.282 175.510 0.049 0.000 1.014 284 N CA 0.663 53.730 53.050 0.029 0.000 0.870 284 N CB 0.114 38.607 38.487 0.010 0.000 0.975 284 N HN 0.093 nan 8.380 nan 0.000 0.433 285 D N -0.699 119.758 120.400 0.096 0.000 2.328 285 D HA 0.096 4.736 4.640 0.000 0.000 0.221 285 D C 1.134 177.470 176.300 0.060 0.000 1.072 285 D CA 0.237 54.310 54.000 0.123 0.000 0.850 285 D CB 0.388 41.330 40.800 0.237 0.000 0.922 285 D HN 0.346 nan 8.370 nan 0.000 0.516 286 G N 0.614 109.456 108.800 0.071 0.000 2.157 286 G HA2 -0.291 3.669 3.960 0.000 0.000 0.248 286 G HA3 -0.291 3.669 3.960 0.000 0.000 0.248 286 G C -0.074 174.845 174.900 0.031 0.000 0.979 286 G CA -0.288 44.833 45.100 0.035 0.000 0.650 286 G HN 0.282 nan 8.290 nan 0.000 0.529 287 Y N 0.583 120.860 120.300 -0.038 0.000 2.299 287 Y HA 0.619 5.170 4.550 0.000 0.000 0.326 287 Y C 1.025 176.983 175.900 0.097 0.000 1.164 287 Y CA -0.118 57.887 58.100 -0.159 0.000 1.234 287 Y CB 0.621 38.815 38.460 -0.444 0.000 1.219 287 Y HN 0.407 nan 8.280 nan 0.000 0.497 288 W N -0.926 120.517 121.300 0.237 0.000 3.074 288 W HA 0.520 5.180 4.660 0.000 0.000 0.332 288 W C 0.171 176.797 176.519 0.178 0.000 1.253 288 W CA -1.561 55.847 57.345 0.105 0.000 1.180 288 W CB 1.214 30.720 29.460 0.076 0.000 1.445 288 W HN 0.868 nan 8.180 nan 0.000 0.573 289 G N 0.682 109.698 108.800 0.360 0.000 2.256 289 G HA2 -0.077 3.883 3.960 0.000 0.000 0.272 289 G HA3 -0.077 3.883 3.960 0.000 0.000 0.272 289 G C -1.063 173.935 174.900 0.163 0.000 1.076 289 G CA 0.113 45.453 45.100 0.401 0.000 0.882 289 G HN 0.821 nan 8.290 nan 0.000 0.497 290 V N 0.316 120.222 119.914 -0.013 0.000 2.444 290 V HA 0.725 4.845 4.120 0.000 0.000 0.294 290 V C 0.279 176.347 176.094 -0.042 0.000 1.022 290 V CA -0.336 61.942 62.300 -0.035 0.000 0.850 290 V CB 2.031 33.800 31.823 -0.089 0.000 0.992 290 V HN 0.350 nan 8.190 nan 0.000 0.426 291 T N 5.925 120.433 114.554 -0.076 0.000 2.807 291 T HA 0.580 4.930 4.350 0.000 0.000 0.279 291 T C -0.367 174.168 174.700 -0.276 0.000 0.993 291 T CA -0.386 61.666 62.100 -0.081 0.000 0.970 291 T CB 1.324 70.059 68.868 -0.221 0.000 0.950 291 T HN 0.278 nan 8.240 nan 0.000 0.441 292 I N 3.167 123.578 120.570 -0.267 0.000 2.365 292 I HA 0.286 4.456 4.170 0.000 0.000 0.291 292 I C 0.299 176.152 176.117 -0.440 0.000 1.004 292 I CA -0.707 60.309 61.300 -0.473 0.000 1.311 292 I CB 1.139 38.838 38.000 -0.502 0.000 1.401 292 I HN 0.635 nan 8.210 nan 0.000 0.491 293 D N 6.269 126.388 120.400 -0.468 0.000 2.373 293 D HA 0.206 4.846 4.640 0.000 0.000 0.227 293 D C -0.463 175.592 176.300 -0.408 0.000 1.091 293 D CA -0.191 53.669 54.000 -0.233 0.000 0.840 293 D CB 0.501 41.302 40.800 0.003 0.000 1.060 293 D HN 0.281 nan 8.370 nan 0.000 0.502 294 H N 3.192 122.172 119.070 -0.150 0.000 2.467 294 H HA 0.294 4.850 4.556 0.000 0.000 0.326 294 H C -0.160 175.008 175.328 -0.268 0.000 1.094 294 H CA -0.278 55.588 56.048 -0.303 0.000 1.253 294 H CB 0.888 30.530 29.762 -0.199 0.000 1.439 294 H HN 0.478 nan 8.280 nan 0.000 0.479 295 H N 2.202 121.079 119.070 -0.322 0.000 2.463 295 H HA 0.341 4.897 4.556 0.000 0.000 0.332 295 H C 0.093 175.006 175.328 -0.691 0.000 1.127 295 H CA -0.236 55.623 56.048 -0.316 0.000 1.238 295 H CB 0.823 30.618 29.762 0.055 0.000 1.478 295 H HN 0.559 nan 8.280 nan 0.000 0.499 296 H N 2.939 121.737 119.070 -0.454 0.000 2.840 296 H HA 0.280 4.837 4.556 0.000 0.000 0.340 296 H C -0.974 174.036 175.328 -0.530 0.000 1.004 296 H CA -0.299 55.293 56.048 -0.761 0.000 1.288 296 H CB 0.868 29.691 29.762 -1.565 0.000 1.607 296 H HN 0.570 nan 8.280 nan 0.000 0.522 297 Y N 0.270 120.815 120.300 0.408 0.000 2.615 297 Y HA 0.253 4.803 4.550 0.000 0.000 0.341 297 Y C 0.378 176.667 175.900 0.650 0.000 1.089 297 Y CA -0.712 57.732 58.100 0.573 0.000 1.049 297 Y CB 1.942 40.751 38.460 0.581 0.000 1.296 297 Y HN 0.448 nan 8.280 nan 0.000 0.470 298 Q N 1.172 121.366 119.800 0.656 0.000 2.139 298 Q HA 0.281 4.622 4.340 0.000 0.000 0.301 298 Q C -0.005 176.112 176.000 0.194 0.000 0.874 298 Q CA 0.007 56.085 55.803 0.457 0.000 1.116 298 Q CB 1.153 30.180 28.738 0.483 0.000 1.278 298 Q HN 0.611 nan 8.270 nan 0.000 0.426 299 V N -4.506 115.415 119.914 0.010 0.000 3.382 299 V HA 0.301 4.421 4.120 0.000 0.000 0.296 299 V C 0.451 176.281 176.094 -0.440 0.000 1.529 299 V CA 0.044 62.186 62.300 -0.263 0.000 1.048 299 V CB -0.142 31.433 31.823 -0.414 0.000 0.878 299 V HN 0.141 nan 8.190 nan 0.000 0.442 300 F N 2.623 122.587 119.950 0.023 0.000 2.660 300 F HA 0.860 5.387 4.527 0.000 0.000 0.297 300 F C 0.878 176.584 175.800 -0.157 0.000 1.132 300 F CA -0.061 57.865 58.000 -0.124 0.000 1.372 300 F CB 0.227 39.139 39.000 -0.147 0.000 1.003 300 F HN 0.359 nan 8.300 nan 0.000 0.524 301 A N -1.120 121.700 122.820 0.000 0.000 2.540 301 A HA 0.516 4.836 4.320 0.000 0.000 0.297 301 A C 0.789 178.354 177.584 -0.033 0.000 1.056 301 A CA -0.450 51.569 52.037 -0.031 0.000 0.700 301 A CB 0.664 19.686 19.000 0.038 0.000 1.280 301 A HN -0.024 nan 8.150 nan 0.000 0.398 302 S N 0.975 116.644 115.700 -0.052 0.000 2.370 302 S HA -0.185 4.285 4.470 0.000 0.000 0.226 302 S C 1.716 176.309 174.600 -0.011 0.000 1.033 302 S CA 2.040 60.224 58.200 -0.027 0.000 1.011 302 S CB -0.278 62.913 63.200 -0.014 0.000 0.852 302 S HN 0.949 nan 8.310 nan 0.000 0.457 303 D N 1.161 121.558 120.400 -0.004 0.000 2.178 303 D HA -0.186 4.454 4.640 0.000 0.000 0.201 303 D C 1.701 177.991 176.300 -0.016 0.000 0.980 303 D CA 1.059 55.053 54.000 -0.010 0.000 0.842 303 D CB -0.543 40.257 40.800 0.000 0.000 0.948 303 D HN 0.459 nan 8.370 nan 0.000 0.472 304 Q N -0.045 119.767 119.800 0.020 0.000 2.083 304 Q HA 0.081 4.421 4.340 0.000 0.000 0.198 304 Q C 2.612 178.648 176.000 0.060 0.000 0.969 304 Q CA 0.579 56.410 55.803 0.047 0.000 0.838 304 Q CB 0.003 28.822 28.738 0.135 0.000 0.900 304 Q HN 0.303 nan 8.270 nan 0.000 0.436 305 L N 0.668 121.934 121.223 0.071 0.000 2.275 305 L HA -0.156 4.184 4.340 0.000 0.000 0.215 305 L C 1.719 178.647 176.870 0.096 0.000 1.119 305 L CA 0.932 55.850 54.840 0.130 0.000 0.790 305 L CB -0.131 42.011 42.059 0.138 0.000 0.919 305 L HN 0.222 nan 8.230 nan 0.000 0.443 306 E N -0.218 119.975 120.200 -0.011 0.000 2.482 306 E HA -0.018 4.332 4.350 0.000 0.000 0.196 306 E C 0.452 176.976 176.600 -0.126 0.000 1.047 306 E CA -0.118 56.246 56.400 -0.060 0.000 0.869 306 E CB 0.226 29.887 29.700 -0.065 0.000 0.836 306 E HN 0.408 nan 8.360 nan 0.000 0.520 307 R N 1.429 121.773 120.500 -0.261 0.000 2.643 307 R HA 0.065 4.405 4.340 0.000 0.000 0.270 307 R C 0.558 176.628 176.300 -0.383 0.000 1.061 307 R CA -0.094 55.733 56.100 -0.456 0.000 1.107 307 R CB 0.647 30.411 30.300 -0.892 0.000 0.999 307 R HN 0.031 nan 8.270 nan 0.000 0.460 308 S N 1.673 117.222 115.700 -0.251 0.000 2.624 308 S HA 0.045 4.515 4.470 0.000 0.000 0.263 308 S C 1.216 175.758 174.600 -0.096 0.000 1.287 308 S CA -0.740 57.383 58.200 -0.128 0.000 0.990 308 S CB 0.693 63.834 63.200 -0.098 0.000 0.950 308 S HN 0.625 nan 8.310 nan 0.000 0.561 309 I N 0.835 121.390 120.570 -0.025 0.000 2.286 309 I HA -0.149 4.021 4.170 0.000 0.000 0.248 309 I C 1.625 177.727 176.117 -0.025 0.000 1.115 309 I CA 1.667 62.967 61.300 -0.000 0.000 1.392 309 I CB -0.780 37.190 38.000 -0.050 0.000 1.065 309 I HN 0.691 nan 8.210 nan 0.000 0.418 310 D N 0.063 120.428 120.400 -0.058 0.000 2.178 310 D HA -0.207 4.434 4.640 0.000 0.000 0.202 310 D C 2.002 178.255 176.300 -0.078 0.000 0.974 310 D CA 1.153 55.116 54.000 -0.063 0.000 0.841 310 D CB -0.025 40.737 40.800 -0.063 0.000 0.953 310 D HN 0.427 nan 8.370 nan 0.000 0.478 311 E N 0.350 120.479 120.200 -0.118 0.000 2.072 311 E HA -0.152 4.198 4.350 0.000 0.000 0.190 311 E C 1.944 178.448 176.600 -0.161 0.000 0.982 311 E CA 1.052 57.357 56.400 -0.158 0.000 0.803 311 E CB -0.183 29.389 29.700 -0.214 0.000 0.755 311 E HN 0.316 nan 8.360 nan 0.000 0.453 312 H N 0.064 119.046 119.070 -0.147 0.000 2.352 312 H HA -0.089 4.467 4.556 0.000 0.000 0.299 312 H C 2.247 177.514 175.328 -0.101 0.000 1.097 312 H CA 1.699 57.644 56.048 -0.171 0.000 1.311 312 H CB -0.205 29.363 29.762 -0.323 0.000 1.377 312 H HN 0.258 nan 8.280 nan 0.000 0.504 313 I N 0.554 121.159 120.570 0.059 0.000 2.252 313 I HA -0.242 3.928 4.170 0.000 0.000 0.245 313 I C 2.684 178.733 176.117 -0.114 0.000 1.102 313 I CA 1.099 62.397 61.300 -0.002 0.000 1.385 313 I CB -0.191 37.799 38.000 -0.016 0.000 1.064 313 I HN 0.124 nan 8.210 nan 0.000 0.414 314 K N 1.032 121.363 120.400 -0.115 0.000 2.063 314 K HA -0.170 4.150 4.320 0.000 0.000 0.208 314 K C 2.060 178.533 176.600 -0.213 0.000 1.048 314 K CA 1.466 57.672 56.287 -0.135 0.000 0.928 314 K CB 0.018 32.453 32.500 -0.107 0.000 0.713 314 K HN 0.097 nan 8.250 nan 0.000 0.442 315 V N 1.157 120.900 119.914 -0.285 0.000 2.358 315 V HA -0.228 3.892 4.120 0.000 0.000 0.246 315 V C 2.425 177.971 176.094 -0.914 0.000 1.047 315 V CA 1.910 63.917 62.300 -0.489 0.000 1.035 315 V CB -0.617 30.939 31.823 -0.444 0.000 0.658 315 V HN 0.511 nan 8.190 nan 0.000 0.452 316 A N -0.899 121.427 122.820 -0.824 0.000 1.877 316 A HA -0.257 4.063 4.320 0.000 0.000 0.216 316 A C 2.358 179.699 177.584 -0.405 0.000 1.186 316 A CA 2.208 53.735 52.037 -0.850 0.000 0.620 316 A CB -1.167 17.542 19.000 -0.485 0.000 0.822 316 A HN 0.586 nan 8.150 nan 0.000 0.443 317 c N -0.315 118.115 118.600 -0.284 0.000 2.425 317 c HA -0.091 4.479 4.570 0.000 0.000 0.277 317 c C 2.550 176.599 174.090 -0.068 0.000 1.280 317 c CA 1.152 57.387 56.329 -0.157 0.000 1.744 317 c CB -1.333 41.107 42.510 -0.118 0.000 1.989 317 c HN 0.653 nan 8.230 nan 0.000 0.491 318 E N -0.753 119.388 120.200 -0.098 0.000 2.274 318 E HA -0.159 4.191 4.350 0.000 0.000 0.194 318 E C 1.935 178.654 176.600 0.198 0.000 0.996 318 E CA 0.788 57.198 56.400 0.018 0.000 0.840 318 E CB -0.112 29.569 29.700 -0.031 0.000 0.772 318 E HN 0.744 nan 8.360 nan 0.000 0.491 319 W N 0.761 122.077 121.300 0.026 0.000 2.374 319 W HA -0.023 4.637 4.660 0.000 0.000 0.288 319 W C 2.310 178.972 176.519 0.238 0.000 1.218 319 W CA 1.303 58.696 57.345 0.081 0.000 1.245 319 W CB -1.005 28.308 29.460 -0.245 0.000 1.126 319 W HN 0.132 nan 8.180 nan 0.000 0.545 320 G N -0.208 108.800 108.800 0.345 0.000 2.395 320 G HA2 -0.213 3.747 3.960 0.000 0.000 0.214 320 G HA3 -0.213 3.747 3.960 0.000 0.000 0.214 320 G C 1.540 176.560 174.900 0.199 0.000 1.177 320 G CA 1.970 47.226 45.100 0.260 0.000 0.794 320 G HN 0.267 nan 8.290 nan 0.000 0.532 321 T N -0.974 113.677 114.554 0.162 0.000 2.867 321 T HA 0.065 4.415 4.350 0.000 0.000 0.268 321 T C 2.445 177.241 174.700 0.161 0.000 1.057 321 T CA 1.568 63.747 62.100 0.132 0.000 1.136 321 T CB -0.566 68.361 68.868 0.098 0.000 0.874 321 T HN 0.213 nan 8.240 nan 0.000 0.466 322 G N 1.593 110.546 108.800 0.255 0.000 2.448 322 G HA2 -0.107 3.853 3.960 0.000 0.000 0.219 322 G HA3 -0.107 3.853 3.960 0.000 0.000 0.219 322 G C 1.667 176.589 174.900 0.037 0.000 1.127 322 G CA 1.137 46.424 45.100 0.311 0.000 0.766 322 G HN 0.755 nan 8.290 nan 0.000 0.552 323 V N -1.369 118.487 119.914 -0.097 0.000 3.406 323 V HA 0.231 4.351 4.120 0.000 0.000 0.263 323 V C 2.469 178.577 176.094 0.025 0.000 1.172 323 V CA 0.515 62.712 62.300 -0.172 0.000 1.140 323 V CB -0.334 31.435 31.823 -0.090 0.000 0.784 323 V HN 0.293 nan 8.190 nan 0.000 0.467 324 L N 1.038 122.303 121.223 0.070 0.000 2.187 324 L HA -0.082 4.258 4.340 0.000 0.000 0.213 324 L C 2.390 179.311 176.870 0.086 0.000 1.100 324 L CA 1.927 56.820 54.840 0.089 0.000 0.765 324 L CB -0.742 41.370 42.059 0.088 0.000 0.904 324 L HN 0.440 nan 8.230 nan 0.000 0.437 325 N N 0.026 118.774 118.700 0.080 0.000 2.336 325 N HA -0.031 4.709 4.740 0.000 0.000 0.189 325 N C 0.392 175.953 175.510 0.085 0.000 1.113 325 N CA 0.088 53.188 53.050 0.083 0.000 0.858 325 N CB 0.247 38.789 38.487 0.092 0.000 0.970 325 N HN 0.302 nan 8.380 nan 0.000 0.471 326 E N -0.821 119.431 120.200 0.086 0.000 2.373 326 E HA 0.074 4.424 4.350 0.000 0.000 0.263 326 E C 0.053 176.712 176.600 0.099 0.000 1.073 326 E CA -0.111 56.356 56.400 0.111 0.000 0.894 326 E CB 0.876 30.656 29.700 0.132 0.000 1.008 326 E HN 0.002 nan 8.360 nan 0.000 0.420 327 S N 1.922 117.663 115.700 0.068 0.000 2.710 327 S HA 0.065 4.535 4.470 0.000 0.000 0.224 327 S C -0.748 173.699 174.600 -0.254 0.000 0.948 327 S CA 0.070 58.225 58.200 -0.074 0.000 0.949 327 S CB -0.184 62.936 63.200 -0.135 0.000 0.778 327 S HN 0.438 nan 8.310 nan 0.000 0.498 328 H N -1.388 117.733 119.070 0.085 0.000 2.980 328 H HA 0.384 4.940 4.556 0.000 0.000 0.367 328 H C -0.912 174.519 175.328 0.173 0.000 1.206 328 H CA -0.945 55.129 56.048 0.043 0.000 1.126 328 H CB 0.502 30.276 29.762 0.020 0.000 1.838 328 H HN 0.199 nan 8.280 nan 0.000 0.552 329 W N 1.542 122.977 121.300 0.226 0.000 2.123 329 W HA 0.248 4.908 4.660 0.000 0.000 0.351 329 W C -0.023 176.542 176.519 0.077 0.000 1.292 329 W CA 0.050 57.492 57.345 0.162 0.000 1.263 329 W CB -0.083 29.491 29.460 0.189 0.000 1.165 329 W HN 0.291 nan 8.180 nan 0.000 0.590 330 I N 0.871 121.622 120.570 0.301 0.000 2.841 330 I HA 0.565 4.735 4.170 0.000 0.000 0.298 330 I C -1.656 174.553 176.117 0.153 0.000 1.304 330 I CA -1.053 60.333 61.300 0.144 0.000 1.019 330 I CB 1.962 40.053 38.000 0.153 0.000 1.282 330 I HN 0.032 nan 8.210 nan 0.000 0.432 331 V N 5.689 125.675 119.914 0.120 0.000 2.808 331 V HA 0.311 4.432 4.120 0.000 0.000 0.308 331 V C -0.749 175.416 176.094 0.118 0.000 1.099 331 V CA -0.850 61.540 62.300 0.151 0.000 0.920 331 V CB 1.789 33.735 31.823 0.205 0.000 1.014 331 V HN 0.960 nan 8.190 nan 0.000 0.425 332 C N 4.156 123.474 119.300 0.030 0.000 2.345 332 C HA 0.477 4.937 4.460 0.000 0.000 0.349 332 C C 1.779 176.778 174.990 0.015 0.000 1.130 332 C CA 0.308 59.256 59.018 -0.116 0.000 1.574 332 C CB -0.928 26.355 27.740 -0.761 0.000 2.108 332 C HN 1.139 nan 8.230 nan 0.000 0.516 333 G N 4.011 112.916 108.800 0.176 0.000 2.534 333 G HA2 0.088 4.048 3.960 0.000 0.000 0.217 333 G HA3 0.088 4.048 3.960 0.000 0.000 0.217 333 G C 0.359 175.313 174.900 0.090 0.000 1.128 333 G CA 0.476 45.705 45.100 0.214 0.000 0.784 333 G HN 0.821 nan 8.290 nan 0.000 0.542 334 E N -1.279 118.892 120.200 -0.048 0.000 2.354 334 E HA 0.496 4.846 4.350 0.000 0.000 0.283 334 E C -1.510 175.036 176.600 -0.089 0.000 0.938 334 E CA -0.822 55.532 56.400 -0.075 0.000 0.777 334 E CB 2.360 31.795 29.700 -0.442 0.000 1.222 334 E HN 0.176 nan 8.360 nan 0.000 0.423 335 F N 0.350 120.241 119.950 -0.098 0.000 2.773 335 F HA 0.881 5.408 4.527 0.000 0.000 0.314 335 F C -1.867 174.074 175.800 0.234 0.000 1.160 335 F CA -0.858 57.062 58.000 -0.133 0.000 0.920 335 F CB 0.775 39.828 39.000 0.087 0.000 1.323 335 F HN 0.540 nan 8.300 nan 0.000 0.457 336 A N 0.291 123.184 122.820 0.122 0.000 2.593 336 A HA 0.850 5.170 4.320 0.000 0.000 0.290 336 A C -0.058 177.541 177.584 0.027 0.000 1.126 336 A CA -0.526 51.431 52.037 -0.134 0.000 0.695 336 A CB 1.018 19.810 19.000 -0.346 0.000 1.290 336 A HN 1.915 nan 8.150 nan 0.000 0.414 337 A N -0.224 122.551 122.820 -0.075 0.000 2.169 337 A HA 0.536 4.856 4.320 0.000 0.000 0.212 337 A C 1.297 178.935 177.584 0.091 0.000 1.153 337 A CA 1.077 53.186 52.037 0.120 0.000 0.756 337 A CB -0.831 18.241 19.000 0.119 0.000 0.813 337 A HN 2.201 nan 8.150 nan 0.000 0.471 338 A N -0.263 122.408 122.820 -0.248 0.000 2.546 338 A HA 0.432 4.752 4.320 0.000 0.000 0.243 338 A C 0.636 178.094 177.584 -0.210 0.000 1.063 338 A CA 0.227 52.057 52.037 -0.345 0.000 0.757 338 A CB -0.095 18.403 19.000 -0.836 0.000 0.991 338 A HN 0.479 nan 8.150 nan 0.000 0.503 339 L N 1.987 123.021 121.223 -0.315 0.000 2.858 339 L HA 0.188 4.528 4.340 0.000 0.000 0.251 339 L C 0.912 177.508 176.870 -0.457 0.000 1.149 339 L CA 0.639 55.174 54.840 -0.508 0.000 0.955 339 L CB 0.258 41.950 42.059 -0.612 0.000 1.289 339 L HN 0.949 nan 8.230 nan 0.000 0.542 340 T N -4.713 109.597 114.554 -0.406 0.000 2.865 340 T HA 0.287 4.637 4.350 0.000 0.000 0.294 340 T C -0.613 173.967 174.700 -0.201 0.000 1.119 340 T CA -0.586 61.231 62.100 -0.471 0.000 1.007 340 T CB 2.117 70.509 68.868 -0.794 0.000 1.225 340 T HN 0.076 nan 8.240 nan 0.000 0.515 341 D N -0.356 119.962 120.400 -0.136 0.000 2.670 341 D HA 0.186 4.826 4.640 0.000 0.000 0.255 341 D C 1.123 177.428 176.300 0.008 0.000 1.286 341 D CA -0.414 53.534 54.000 -0.087 0.000 0.830 341 D CB -0.923 39.763 40.800 -0.190 0.000 1.065 341 D HN 0.480 nan 8.370 nan 0.000 0.486 342 c N 0.372 118.986 118.600 0.024 0.000 2.446 342 c HA 0.121 4.691 4.570 0.000 0.000 0.279 342 c C 1.392 175.535 174.090 0.088 0.000 1.366 342 c CA -0.326 56.042 56.329 0.066 0.000 1.763 342 c CB -0.653 41.876 42.510 0.032 0.000 1.929 342 c HN 0.440 nan 8.230 nan 0.000 0.509 343 I N 2.526 123.171 120.570 0.124 0.000 2.826 343 I HA -0.070 4.100 4.170 0.000 0.000 0.295 343 I C 0.784 176.944 176.117 0.071 0.000 1.213 343 I CA 0.530 61.908 61.300 0.131 0.000 1.436 343 I CB 0.062 38.191 38.000 0.215 0.000 1.348 343 I HN 0.374 nan 8.210 nan 0.000 0.570 344 K N 7.753 128.183 120.400 0.050 0.000 2.511 344 K HA -0.199 4.121 4.320 0.000 0.000 0.277 344 K C -0.300 176.378 176.600 0.130 0.000 1.025 344 K CA 0.191 56.456 56.287 -0.036 0.000 1.112 344 K CB 0.190 32.552 32.500 -0.229 0.000 0.859 344 K HN 0.596 nan 8.250 nan 0.000 0.485 345 W N 2.162 123.506 121.300 0.074 0.000 3.207 345 W HA -0.273 4.387 4.660 0.000 0.000 0.291 345 W C 0.824 177.326 176.519 -0.027 0.000 1.105 345 W CA 0.625 58.005 57.345 0.059 0.000 0.612 345 W CB -2.317 27.177 29.460 0.056 0.000 2.140 345 W HN 0.713 nan 8.180 nan 0.000 1.420 346 L N 1.605 122.841 121.223 0.022 0.000 2.127 346 L HA -0.096 4.244 4.340 0.000 0.000 0.211 346 L C 1.759 178.474 176.870 -0.258 0.000 1.089 346 L CA 2.419 56.987 54.840 -0.453 0.000 0.757 346 L CB -0.484 41.250 42.059 -0.541 0.000 0.899 346 L HN -0.069 nan 8.230 nan 0.000 0.434 347 N N 0.406 119.098 118.700 -0.014 0.000 2.313 347 N HA 0.094 4.834 4.740 0.000 0.000 0.207 347 N C -0.181 175.312 175.510 -0.029 0.000 1.141 347 N CA 0.832 53.887 53.050 0.008 0.000 0.830 347 N CB -0.214 38.404 38.487 0.219 0.000 1.008 347 N HN 0.548 nan 8.380 nan 0.000 0.481 348 S N -2.088 113.610 115.700 -0.002 0.000 3.386 348 S HA -0.162 4.308 4.470 0.000 0.000 0.810 348 S C -0.362 174.245 174.600 0.011 0.000 1.062 348 S CA -0.775 57.394 58.200 -0.051 0.000 1.151 348 S CB -0.932 62.180 63.200 -0.147 0.000 0.758 348 S HN -0.095 nan 8.310 nan 0.000 0.308 349 V N 3.291 122.992 119.914 -0.354 0.000 2.584 349 V HA 0.466 4.586 4.120 0.000 0.000 0.303 349 V C 2.161 178.187 176.094 -0.114 0.000 1.035 349 V CA 1.817 63.691 62.300 -0.710 0.000 1.172 349 V CB -0.183 31.100 31.823 -0.899 0.000 0.896 349 V HN 2.596 nan 8.190 nan 0.000 0.486 350 G N 4.285 113.092 108.800 0.011 0.000 2.194 350 G HA2 -0.221 3.739 3.960 0.000 0.000 0.236 350 G HA3 -0.221 3.739 3.960 0.000 0.000 0.236 350 G C -0.239 174.540 174.900 -0.203 0.000 0.987 350 G CA -0.223 44.845 45.100 -0.054 0.000 0.635 350 G HN 0.520 nan 8.290 nan 0.000 0.520 351 F N 0.826 120.842 119.950 0.111 0.000 2.522 351 F HA 0.725 5.252 4.527 0.000 0.000 0.324 351 F C 1.147 177.087 175.800 0.233 0.000 1.077 351 F CA -0.083 57.990 58.000 0.121 0.000 0.944 351 F CB 1.651 40.744 39.000 0.155 0.000 1.175 351 F HN 0.187 nan 8.300 nan 0.000 0.468 352 G N 0.229 109.260 108.800 0.384 0.000 2.630 352 G HA2 0.644 4.604 3.960 0.000 0.000 0.223 352 G HA3 0.644 4.604 3.960 0.000 0.000 0.223 352 G C -1.345 173.822 174.900 0.445 0.000 1.434 352 G CA -0.421 44.885 45.100 0.343 0.000 1.057 352 G HN 0.841 nan 8.290 nan 0.000 0.570 353 A N -1.368 121.656 122.820 0.339 0.000 2.342 353 A HA 0.609 4.930 4.320 0.000 0.000 0.323 353 A C 1.065 178.805 177.584 0.261 0.000 1.125 353 A CA -0.620 51.575 52.037 0.264 0.000 0.785 353 A CB 1.480 20.589 19.000 0.183 0.000 1.221 353 A HN 0.594 nan 8.150 nan 0.000 0.463 354 R N 0.746 121.328 120.500 0.135 0.000 2.115 354 R HA -0.131 4.209 4.340 0.000 0.000 0.230 354 R C 1.341 177.684 176.300 0.070 0.000 1.111 354 R CA 1.645 57.799 56.100 0.090 0.000 0.976 354 R CB -0.311 29.917 30.300 -0.121 0.000 0.870 354 R HN 0.846 nan 8.270 nan 0.000 0.445 355 Y N 2.751 123.019 120.300 -0.053 0.000 2.114 355 Y HA -0.244 4.306 4.550 0.000 0.000 0.282 355 Y C 1.597 177.400 175.900 -0.162 0.000 1.165 355 Y CA 2.070 60.105 58.100 -0.109 0.000 1.148 355 Y CB -0.102 38.291 38.460 -0.112 0.000 0.972 355 Y HN 0.163 nan 8.280 nan 0.000 0.504 356 D N -1.463 118.910 120.400 -0.044 0.000 2.388 356 D HA 0.145 4.785 4.640 0.000 0.000 0.221 356 D C 1.362 177.747 176.300 0.140 0.000 1.133 356 D CA 0.491 54.447 54.000 -0.075 0.000 0.831 356 D CB -0.633 40.246 40.800 0.133 0.000 0.962 356 D HN 0.389 nan 8.370 nan 0.000 0.502 357 G N 0.924 109.781 108.800 0.095 0.000 2.283 357 G HA2 -0.324 3.637 3.960 0.000 0.000 0.280 357 G HA3 -0.324 3.637 3.960 0.000 0.000 0.280 357 G C 0.778 175.794 174.900 0.193 0.000 1.029 357 G CA 0.786 45.987 45.100 0.168 0.000 0.840 357 G HN 0.705 nan 8.290 nan 0.000 0.505 358 S N -2.275 113.554 115.700 0.214 0.000 2.539 358 S HA 0.297 4.767 4.470 0.000 0.000 0.221 358 S C 0.479 175.221 174.600 0.236 0.000 0.987 358 S CA 0.041 58.354 58.200 0.188 0.000 0.929 358 S CB 0.223 63.522 63.200 0.165 0.000 0.832 358 S HN 0.792 nan 8.310 nan 0.000 0.492 359 W N 1.982 123.346 121.300 0.106 0.000 2.351 359 W HA 0.628 5.288 4.660 0.000 0.000 0.311 359 W C -1.324 175.274 176.519 0.131 0.000 1.168 359 W CA -0.476 56.955 57.345 0.142 0.000 1.200 359 W CB 1.206 30.753 29.460 0.146 0.000 1.221 359 W HN -0.035 nan 8.180 nan 0.000 0.519 360 V N 6.179 125.720 119.914 -0.622 0.000 2.777 360 V HA 0.266 4.386 4.120 0.000 0.000 0.306 360 V C -1.229 174.370 176.094 -0.825 0.000 1.112 360 V CA -0.981 60.928 62.300 -0.652 0.000 0.917 360 V CB 1.893 33.554 31.823 -0.270 0.000 1.018 360 V HN 0.503 nan 8.190 nan 0.000 0.426 361 N N 2.969 121.199 118.700 -0.783 0.000 2.549 361 N HA 0.637 5.377 4.740 0.000 0.000 0.281 361 N C 0.287 175.715 175.510 -0.137 0.000 1.084 361 N CA 1.021 53.882 53.050 -0.315 0.000 0.862 361 N CB 1.852 40.190 38.487 -0.248 0.000 1.333 361 N HN 1.141 nan 8.380 nan 0.000 0.523 362 G N 3.181 111.935 108.800 -0.077 0.000 2.591 362 G HA2 -0.323 3.637 3.960 0.000 0.000 0.298 362 G HA3 -0.323 3.637 3.960 0.000 0.000 0.298 362 G C 0.056 174.926 174.900 -0.050 0.000 1.195 362 G CA 0.546 45.622 45.100 -0.040 0.000 0.989 362 G HN 0.603 nan 8.290 nan 0.000 0.551 363 D N 1.772 122.161 120.400 -0.018 0.000 2.340 363 D HA 0.157 4.797 4.640 0.000 0.000 0.217 363 D C 0.688 176.997 176.300 0.014 0.000 1.081 363 D CA 0.494 54.490 54.000 -0.007 0.000 0.842 363 D CB 0.303 41.106 40.800 0.006 0.000 0.934 363 D HN 0.338 nan 8.370 nan 0.000 0.511 364 Q N 0.814 120.623 119.800 0.014 0.000 2.241 364 Q HA 0.332 4.673 4.340 0.000 0.000 0.254 364 Q C 0.764 176.800 176.000 0.061 0.000 0.917 364 Q CA -0.062 55.798 55.803 0.095 0.000 0.919 364 Q CB 1.992 30.855 28.738 0.209 0.000 1.237 364 Q HN 0.138 nan 8.270 nan 0.000 0.434 365 T N -2.035 112.632 114.554 0.187 0.000 2.676 365 T HA 0.836 5.186 4.350 0.000 0.000 0.269 365 T C -0.072 174.869 174.700 0.402 0.000 0.952 365 T CA -0.621 61.602 62.100 0.205 0.000 1.040 365 T CB 1.455 70.390 68.868 0.112 0.000 1.352 365 T HN 0.561 nan 8.240 nan 0.000 0.554 366 S N -0.465 115.431 115.700 0.327 0.000 2.651 366 S HA 0.816 5.286 4.470 0.000 0.000 0.279 366 S C -0.998 173.702 174.600 0.168 0.000 1.148 366 S CA -0.754 57.614 58.200 0.280 0.000 0.837 366 S CB 1.422 64.849 63.200 0.378 0.000 1.138 366 S HN 1.473 nan 8.310 nan 0.000 0.478 367 S N 0.222 115.987 115.700 0.109 0.000 2.570 367 S HA 0.597 5.067 4.470 0.000 0.000 0.286 367 S C -1.133 173.500 174.600 0.055 0.000 1.099 367 S CA -0.800 57.453 58.200 0.089 0.000 0.913 367 S CB 0.692 63.930 63.200 0.063 0.000 1.085 367 S HN 0.829 nan 8.310 nan 0.000 0.480 368 Y N 1.826 122.103 120.300 -0.038 0.000 2.721 368 Y HA 0.191 4.741 4.550 0.000 0.000 0.329 368 Y C 0.525 176.327 175.900 -0.164 0.000 1.211 368 Y CA 0.317 58.361 58.100 -0.094 0.000 1.512 368 Y CB -0.007 38.411 38.460 -0.070 0.000 1.249 368 Y HN 0.717 nan 8.280 nan 0.000 0.549 369 I N 3.240 123.236 120.570 -0.957 0.000 3.739 369 I HA 0.346 4.516 4.170 0.000 0.000 0.272 369 I C 1.021 176.433 176.117 -1.175 0.000 1.167 369 I CA 0.380 61.160 61.300 -0.865 0.000 1.386 369 I CB 0.616 38.119 38.000 -0.828 0.000 1.490 369 I HN 0.691 nan 8.210 nan 0.000 0.452 370 G N -0.001 107.792 108.800 -1.679 0.000 2.649 370 G HA2 0.397 4.357 3.960 0.000 0.000 0.290 370 G HA3 0.397 4.357 3.960 0.000 0.000 0.290 370 G C -1.495 173.069 174.900 -0.560 0.000 1.426 370 G CA -0.244 44.262 45.100 -0.991 0.000 0.794 370 G HN -0.080 nan 8.290 nan 0.000 0.483 371 S N -1.678 114.027 115.700 0.008 0.000 2.592 371 S HA 0.343 4.813 4.470 0.000 0.000 0.271 371 S C 0.671 175.389 174.600 0.195 0.000 1.326 371 S CA -0.388 57.909 58.200 0.162 0.000 1.024 371 S CB 0.685 63.985 63.200 0.167 0.000 0.921 371 S HN 0.674 nan 8.310 nan 0.000 0.527 372 c N 3.542 122.239 118.600 0.162 0.000 3.104 372 c HA 0.555 5.125 4.570 0.000 0.000 0.284 372 c C 1.202 175.327 174.090 0.060 0.000 1.326 372 c CA -0.418 55.983 56.329 0.120 0.000 1.725 372 c CB -1.646 40.944 42.510 0.134 0.000 2.156 372 c HN 0.925 nan 8.230 nan 0.000 0.638 373 A N 1.477 124.327 122.820 0.049 0.000 2.546 373 A HA 0.268 4.588 4.320 0.000 0.000 0.243 373 A C 0.655 178.200 177.584 -0.065 0.000 1.063 373 A CA 0.447 52.478 52.037 -0.010 0.000 0.757 373 A CB -0.437 18.562 19.000 -0.003 0.000 0.991 373 A HN 0.795 nan 8.150 nan 0.000 0.503 374 N N 0.993 119.613 118.700 -0.134 0.000 2.696 374 N HA -0.292 4.448 4.740 0.000 0.000 0.249 374 N C 0.707 176.236 175.510 0.030 0.000 1.090 374 N CA 1.046 53.983 53.050 -0.189 0.000 0.716 374 N CB -1.375 36.706 38.487 -0.676 0.000 1.020 374 N HN 0.917 nan 8.380 nan 0.000 0.548 375 N N 0.823 119.560 118.700 0.062 0.000 2.060 375 N HA -0.179 4.561 4.740 0.000 0.000 0.195 375 N C 0.339 176.060 175.510 0.352 0.000 1.028 375 N CA 1.812 54.940 53.050 0.130 0.000 0.861 375 N CB 0.065 38.603 38.487 0.086 0.000 1.029 375 N HN 0.328 nan 8.380 nan 0.000 0.428 376 D N -0.545 120.022 120.400 0.278 0.000 2.395 376 D HA 0.013 4.653 4.640 0.000 0.000 0.226 376 D C -0.774 175.655 176.300 0.216 0.000 1.146 376 D CA 0.156 54.334 54.000 0.297 0.000 0.830 376 D CB -0.143 40.783 40.800 0.210 0.000 0.958 376 D HN 0.317 nan 8.370 nan 0.000 0.501 377 D N 1.401 121.969 120.400 0.281 0.000 2.441 377 D HA 0.057 4.697 4.640 0.000 0.000 0.231 377 D C 1.135 177.599 176.300 0.274 0.000 1.073 377 D CA -0.684 53.456 54.000 0.234 0.000 0.850 377 D CB 1.276 42.236 40.800 0.266 0.000 1.062 377 D HN -0.127 nan 8.370 nan 0.000 0.524 378 I N 4.303 124.861 120.570 -0.020 0.000 2.399 378 I HA -0.236 3.934 4.170 0.000 0.000 0.254 378 I C 1.979 178.155 176.117 0.098 0.000 1.146 378 I CA 1.543 62.725 61.300 -0.198 0.000 1.412 378 I CB 0.003 37.855 38.000 -0.246 0.000 1.076 378 I HN 0.501 nan 8.210 nan 0.000 0.432 379 A N -0.833 122.080 122.820 0.156 0.000 2.070 379 A HA -0.200 4.120 4.320 0.000 0.000 0.220 379 A C 1.640 179.224 177.584 -0.001 0.000 1.159 379 A CA 1.527 53.599 52.037 0.058 0.000 0.656 379 A CB -0.938 18.064 19.000 0.003 0.000 0.800 379 A HN 0.571 nan 8.150 nan 0.000 0.453 380 Y N -3.100 117.332 120.300 0.219 0.000 2.524 380 Y HA 0.214 4.764 4.550 0.000 0.000 0.266 380 Y C -0.287 175.783 175.900 0.284 0.000 1.180 380 Y CA -1.062 57.167 58.100 0.216 0.000 1.244 380 Y CB -0.005 38.561 38.460 0.176 0.000 1.125 380 Y HN 0.330 nan 8.280 nan 0.000 0.524 381 W N 1.659 123.036 121.300 0.129 0.000 2.338 381 W HA 0.401 5.062 4.660 0.000 0.000 0.307 381 W C 0.636 177.184 176.519 0.049 0.000 1.167 381 W CA -1.260 56.134 57.345 0.082 0.000 1.208 381 W CB 0.837 30.335 29.460 0.064 0.000 1.228 381 W HN -0.080 nan 8.180 nan 0.000 0.499 382 S N 1.610 117.409 115.700 0.165 0.000 2.614 382 S HA 0.087 4.557 4.470 0.000 0.000 0.265 382 S C 0.892 175.568 174.600 0.127 0.000 1.303 382 S CA -0.403 57.861 58.200 0.107 0.000 1.000 382 S CB 1.236 64.462 63.200 0.043 0.000 0.935 382 S HN 0.526 nan 8.310 nan 0.000 0.551 383 D N 0.712 121.167 120.400 0.092 0.000 2.149 383 D HA -0.153 4.487 4.640 0.000 0.000 0.198 383 D C 1.712 178.062 176.300 0.083 0.000 0.990 383 D CA 1.609 55.664 54.000 0.092 0.000 0.839 383 D CB -0.342 40.496 40.800 0.064 0.000 0.948 383 D HN 0.885 nan 8.370 nan 0.000 0.460 384 E N 1.046 121.276 120.200 0.049 0.000 2.058 384 E HA -0.219 4.131 4.350 0.000 0.000 0.194 384 E C 2.209 178.815 176.600 0.009 0.000 0.997 384 E CA 0.766 57.178 56.400 0.019 0.000 0.801 384 E CB 0.075 29.772 29.700 -0.004 0.000 0.746 384 E HN 0.076 nan 8.360 nan 0.000 0.450 385 R N 0.493 120.989 120.500 -0.006 0.000 2.096 385 R HA -0.148 4.193 4.340 0.000 0.000 0.235 385 R C 2.250 178.623 176.300 0.121 0.000 1.127 385 R CA 1.772 57.825 56.100 -0.078 0.000 0.968 385 R CB 0.037 30.148 30.300 -0.314 0.000 0.861 385 R HN 0.075 nan 8.270 nan 0.000 0.440 386 K N 0.120 120.690 120.400 0.282 0.000 2.026 386 K HA -0.194 4.126 4.320 0.000 0.000 0.208 386 K C 2.079 178.806 176.600 0.212 0.000 1.048 386 K CA 1.701 58.199 56.287 0.353 0.000 0.929 386 K CB -0.145 32.512 32.500 0.262 0.000 0.713 386 K HN 0.286 nan 8.250 nan 0.000 0.439 387 E N 1.001 121.284 120.200 0.137 0.000 2.051 387 E HA -0.215 4.135 4.350 0.000 0.000 0.192 387 E C 1.676 178.259 176.600 -0.028 0.000 0.991 387 E CA 1.240 57.691 56.400 0.084 0.000 0.799 387 E CB 0.091 29.818 29.700 0.045 0.000 0.748 387 E HN 0.206 nan 8.360 nan 0.000 0.449 388 N N -0.080 118.603 118.700 -0.028 0.000 2.166 388 N HA -0.115 4.625 4.740 0.000 0.000 0.186 388 N C 1.766 177.280 175.510 0.006 0.000 1.019 388 N CA 1.723 54.734 53.050 -0.065 0.000 0.856 388 N CB -0.680 37.756 38.487 -0.085 0.000 0.993 388 N HN 0.151 nan 8.380 nan 0.000 0.426 389 T N 0.451 115.062 114.554 0.096 0.000 2.777 389 T HA -0.088 4.262 4.350 0.000 0.000 0.266 389 T C 1.993 176.807 174.700 0.192 0.000 1.040 389 T CA 1.004 63.220 62.100 0.193 0.000 1.141 389 T CB -0.011 69.065 68.868 0.348 0.000 0.868 389 T HN 0.132 nan 8.240 nan 0.000 0.444 390 R N 1.386 121.986 120.500 0.166 0.000 2.081 390 R HA 0.059 4.399 4.340 0.000 0.000 0.235 390 R C 2.380 178.757 176.300 0.129 0.000 1.131 390 R CA 1.503 57.704 56.100 0.167 0.000 0.960 390 R CB -0.285 30.168 30.300 0.256 0.000 0.856 390 R HN 0.298 nan 8.270 nan 0.000 0.436 391 R N -1.342 119.155 120.500 -0.004 0.000 2.073 391 R HA -0.170 4.170 4.340 0.000 0.000 0.234 391 R C 2.185 178.490 176.300 0.009 0.000 1.134 391 R CA 1.713 57.742 56.100 -0.119 0.000 0.952 391 R CB -0.682 29.397 30.300 -0.368 0.000 0.850 391 R HN 0.265 nan 8.270 nan 0.000 0.433 392 Y N 1.373 121.620 120.300 -0.089 0.000 2.165 392 Y HA -0.236 4.314 4.550 0.000 0.000 0.286 392 Y C 2.088 177.967 175.900 -0.034 0.000 1.155 392 Y CA 1.157 59.213 58.100 -0.072 0.000 1.164 392 Y CB -0.422 37.993 38.460 -0.075 0.000 0.978 392 Y HN -0.222 nan 8.280 nan 0.000 0.513 393 V N 0.515 120.416 119.914 -0.021 0.000 2.295 393 V HA -0.305 3.816 4.120 0.000 0.000 0.246 393 V C 2.238 178.203 176.094 -0.216 0.000 1.049 393 V CA 2.355 64.603 62.300 -0.087 0.000 1.024 393 V CB -0.610 31.232 31.823 0.032 0.000 0.648 393 V HN 0.403 nan 8.190 nan 0.000 0.447 394 E N 0.147 120.256 120.200 -0.151 0.000 2.077 394 E HA -0.203 4.147 4.350 0.000 0.000 0.193 394 E C 2.320 178.797 176.600 -0.205 0.000 0.989 394 E CA 1.291 57.591 56.400 -0.167 0.000 0.800 394 E CB -0.324 29.351 29.700 -0.041 0.000 0.746 394 E HN 0.606 nan 8.360 nan 0.000 0.452 395 A N 1.337 124.040 122.820 -0.194 0.000 1.902 395 A HA -0.258 4.063 4.320 0.000 0.000 0.217 395 A C 2.070 179.416 177.584 -0.397 0.000 1.181 395 A CA 1.412 53.312 52.037 -0.228 0.000 0.623 395 A CB -0.429 18.468 19.000 -0.171 0.000 0.818 395 A HN 0.181 nan 8.150 nan 0.000 0.443 396 Q N -0.380 119.097 119.800 -0.538 0.000 2.050 396 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 396 Q C 2.149 177.525 176.000 -1.039 0.000 0.980 396 Q CA 1.476 56.730 55.803 -0.915 0.000 0.840 396 Q CB -0.369 27.921 28.738 -0.747 0.000 0.898 396 Q HN 0.681 nan 8.270 nan 0.000 0.424 397 L N 0.838 121.648 121.223 -0.687 0.000 2.012 397 L HA -0.242 4.098 4.340 0.000 0.000 0.210 397 L C 1.926 178.651 176.870 -0.242 0.000 1.073 397 L CA 1.104 55.609 54.840 -0.558 0.000 0.748 397 L CB -0.599 41.158 42.059 -0.503 0.000 0.891 397 L HN 0.214 nan 8.230 nan 0.000 0.431 398 D N 0.218 120.481 120.400 -0.229 0.000 2.123 398 D HA -0.163 4.477 4.640 0.000 0.000 0.196 398 D C 2.213 178.452 176.300 -0.102 0.000 0.992 398 D CA 1.573 55.505 54.000 -0.112 0.000 0.833 398 D CB -0.090 40.645 40.800 -0.108 0.000 0.954 398 D HN 0.329 nan 8.370 nan 0.000 0.455 399 A N 0.584 123.258 122.820 -0.244 0.000 1.858 399 A HA -0.160 4.160 4.320 0.000 0.000 0.216 399 A C 1.954 179.535 177.584 -0.005 0.000 1.190 399 A CA 1.082 53.006 52.037 -0.189 0.000 0.617 399 A CB -0.978 17.811 19.000 -0.351 0.000 0.827 399 A HN 0.135 nan 8.150 nan 0.000 0.443 400 F N 0.413 120.410 119.950 0.078 0.000 2.269 400 F HA -0.035 4.492 4.527 0.000 0.000 0.301 400 F C 2.178 178.107 175.800 0.215 0.000 1.082 400 F CA 0.958 59.057 58.000 0.166 0.000 1.360 400 F CB -0.763 38.342 39.000 0.174 0.000 1.041 400 F HN 0.337 nan 8.300 nan 0.000 0.512 401 E N -0.474 119.938 120.200 0.353 0.000 2.502 401 E HA -0.065 4.285 4.350 0.000 0.000 0.194 401 E C 2.027 178.721 176.600 0.158 0.000 1.062 401 E CA 0.086 56.643 56.400 0.263 0.000 0.867 401 E CB -0.208 29.643 29.700 0.251 0.000 0.888 401 E HN 0.436 nan 8.360 nan 0.000 0.510 402 M N -0.046 119.643 119.600 0.148 0.000 2.296 402 M HA -0.081 4.399 4.480 0.000 0.000 0.265 402 M C 1.156 177.521 176.300 0.108 0.000 1.064 402 M CA 1.107 56.470 55.300 0.106 0.000 1.109 402 M CB 0.241 32.902 32.600 0.102 0.000 1.396 402 M HN -0.155 nan 8.290 nan 0.000 0.430 403 R N -0.878 119.710 120.500 0.147 0.000 2.542 403 R HA 0.365 4.705 4.340 0.000 0.000 0.284 403 R C 0.031 176.427 176.300 0.161 0.000 1.167 403 R CA 0.401 56.580 56.100 0.130 0.000 1.000 403 R CB 0.998 31.382 30.300 0.139 0.000 1.229 403 R HN 0.278 nan 8.270 nan 0.000 0.416 404 G N 2.338 111.212 108.800 0.122 0.000 3.444 404 G HA2 -0.142 3.818 3.960 0.000 0.000 0.222 404 G HA3 -0.142 3.818 3.960 0.000 0.000 0.222 404 G C 0.541 175.518 174.900 0.129 0.000 1.358 404 G CA 0.023 45.218 45.100 0.158 0.000 0.880 404 G HN 1.693 nan 8.290 nan 0.000 0.555 405 G N -1.443 107.445 108.800 0.146 0.000 2.318 405 G HA2 0.448 4.408 3.960 0.000 0.000 0.367 405 G HA3 0.448 4.408 3.960 0.000 0.000 0.367 405 G C -0.391 174.595 174.900 0.143 0.000 1.260 405 G CA 0.329 45.460 45.100 0.052 0.000 1.055 405 G HN 2.089 nan 8.290 nan 0.000 0.484 406 W N -1.412 119.948 121.300 0.100 0.000 3.042 406 W HA 0.768 5.428 4.660 0.000 0.000 0.342 406 W C -1.300 175.302 176.519 0.139 0.000 1.240 406 W CA -1.468 55.922 57.345 0.076 0.000 1.166 406 W CB 1.001 30.538 29.460 0.128 0.000 1.469 406 W HN 0.725 nan 8.180 nan 0.000 0.579 407 I N 3.024 123.950 120.570 0.592 0.000 2.529 407 I HA 0.239 4.409 4.170 0.000 0.000 0.284 407 I C -0.300 176.113 176.117 0.493 0.000 1.088 407 I CA -0.880 60.643 61.300 0.372 0.000 1.062 407 I CB 2.202 40.174 38.000 -0.046 0.000 1.218 407 I HN 0.421 nan 8.210 nan 0.000 0.442 408 I N 5.844 126.663 120.570 0.415 0.000 2.588 408 I HA 0.057 4.227 4.170 0.000 0.000 0.283 408 I C -0.123 175.908 176.117 -0.144 0.000 1.119 408 I CA -0.025 61.111 61.300 -0.273 0.000 1.419 408 I CB 0.955 38.699 38.000 -0.427 0.000 1.394 408 I HN 0.721 nan 8.210 nan 0.000 0.562 409 W N 8.775 129.960 121.300 -0.192 0.000 2.546 409 W HA 0.327 4.987 4.660 0.000 0.000 0.323 409 W C -0.767 175.835 176.519 0.138 0.000 1.272 409 W CA -0.402 56.996 57.345 0.087 0.000 1.404 409 W CB 0.607 30.284 29.460 0.361 0.000 1.411 409 W HN 0.755 nan 8.180 nan 0.000 0.480 410 C N 6.754 125.591 119.300 -0.772 0.000 2.793 410 C HA -0.273 4.187 4.460 0.000 0.000 0.310 410 C C 0.873 175.706 174.990 -0.260 0.000 0.759 410 C CA -0.445 58.233 59.018 -0.566 0.000 2.886 410 C CB -2.038 25.534 27.740 -0.279 0.000 1.551 410 C HN 0.842 nan 8.230 nan 0.000 0.432 411 Y N 4.073 124.163 120.300 -0.349 0.000 2.263 411 Y HA 0.181 4.731 4.550 0.000 0.000 0.292 411 Y C 1.272 177.034 175.900 -0.230 0.000 1.130 411 Y CA 2.382 60.294 58.100 -0.313 0.000 1.179 411 Y CB 0.243 38.536 38.460 -0.279 0.000 0.998 411 Y HN 0.728 nan 8.280 nan 0.000 0.532 412 K N -0.407 119.871 120.400 -0.203 0.000 2.527 412 K HA 0.552 4.872 4.320 0.000 0.000 0.260 412 K C -1.232 175.357 176.600 -0.019 0.000 0.937 412 K CA -0.384 55.739 56.287 -0.274 0.000 0.826 412 K CB 2.224 34.420 32.500 -0.506 0.000 1.359 412 K HN 0.045 nan 8.250 nan 0.000 0.434 413 T N -1.951 112.626 114.554 0.039 0.000 2.883 413 T HA 0.297 4.647 4.350 0.000 0.000 0.296 413 T C 0.491 175.284 174.700 0.156 0.000 1.117 413 T CA -0.828 61.377 62.100 0.176 0.000 1.006 413 T CB 1.893 70.855 68.868 0.157 0.000 1.191 413 T HN 0.657 nan 8.240 nan 0.000 0.508 414 E N 0.633 120.938 120.200 0.175 0.000 2.072 414 E HA -0.045 4.305 4.350 0.000 0.000 0.191 414 E C 1.262 177.912 176.600 0.083 0.000 0.985 414 E CA 1.459 57.940 56.400 0.134 0.000 0.801 414 E CB 0.036 29.807 29.700 0.119 0.000 0.750 414 E HN 0.780 nan 8.360 nan 0.000 0.452 415 S N -0.957 114.798 115.700 0.091 0.000 2.904 415 S HA 0.121 4.591 4.470 0.000 0.000 0.260 415 S C 0.153 174.818 174.600 0.108 0.000 1.000 415 S CA -0.599 57.647 58.200 0.076 0.000 1.274 415 S CB 0.737 63.973 63.200 0.059 0.000 1.196 415 S HN 0.029 nan 8.310 nan 0.000 0.678 416 S N 0.885 116.678 115.700 0.156 0.000 2.610 416 S HA 0.661 5.131 4.470 0.000 0.000 0.273 416 S C 0.524 175.229 174.600 0.174 0.000 1.274 416 S CA -0.623 57.715 58.200 0.230 0.000 1.023 416 S CB 1.368 64.800 63.200 0.385 0.000 0.962 416 S HN 0.423 nan 8.310 nan 0.000 0.523 417 L N 3.173 124.509 121.223 0.189 0.000 2.515 417 L HA 0.499 4.839 4.340 0.000 0.000 0.202 417 L C 1.949 178.877 176.870 0.098 0.000 1.056 417 L CA 1.169 56.056 54.840 0.079 0.000 0.847 417 L CB -1.048 41.008 42.059 -0.005 0.000 1.131 417 L HN 0.849 nan 8.230 nan 0.000 0.484 418 E N -0.828 119.485 120.200 0.190 0.000 2.204 418 E HA -0.212 4.138 4.350 0.000 0.000 0.195 418 E C 0.631 177.090 176.600 -0.234 0.000 0.990 418 E CA 1.559 57.969 56.400 0.016 0.000 0.821 418 E CB -0.141 29.545 29.700 -0.024 0.000 0.750 418 E HN 0.601 nan 8.360 nan 0.000 0.477 419 W N 0.465 121.870 121.300 0.175 0.000 2.966 419 W HA 0.211 4.871 4.660 0.000 0.000 0.406 419 W C 0.132 176.710 176.519 0.098 0.000 1.027 419 W CA -0.558 56.919 57.345 0.221 0.000 1.930 419 W CB 0.818 30.534 29.460 0.426 0.000 1.144 419 W HN -0.218 nan 8.180 nan 0.000 0.626 420 D N 0.185 120.660 120.400 0.125 0.000 2.454 420 D HA 0.336 4.976 4.640 0.000 0.000 0.247 420 D C 1.162 177.362 176.300 -0.166 0.000 1.129 420 D CA 0.021 54.006 54.000 -0.025 0.000 0.877 420 D CB 1.784 42.583 40.800 -0.001 0.000 1.082 420 D HN 0.030 nan 8.370 nan 0.000 0.537 421 A N 3.898 126.545 122.820 -0.288 0.000 1.908 421 A HA -0.240 4.080 4.320 0.000 0.000 0.218 421 A C 1.913 179.306 177.584 -0.320 0.000 1.181 421 A CA 1.477 53.278 52.037 -0.395 0.000 0.627 421 A CB -0.286 18.444 19.000 -0.451 0.000 0.818 421 A HN 0.692 nan 8.150 nan 0.000 0.445 422 Q N -0.849 118.671 119.800 -0.468 0.000 2.061 422 Q HA -0.191 4.150 4.340 0.000 0.000 0.204 422 Q C 2.402 178.321 176.000 -0.135 0.000 0.984 422 Q CA 1.678 57.261 55.803 -0.366 0.000 0.846 422 Q CB -0.225 28.191 28.738 -0.536 0.000 0.902 422 Q HN 0.626 nan 8.270 nan 0.000 0.421 423 R N 0.249 120.672 120.500 -0.130 0.000 2.115 423 R HA -0.060 4.280 4.340 0.000 0.000 0.230 423 R C 2.363 178.663 176.300 -0.001 0.000 1.111 423 R CA 0.787 56.866 56.100 -0.034 0.000 0.976 423 R CB -0.249 30.016 30.300 -0.058 0.000 0.870 423 R HN 0.251 nan 8.270 nan 0.000 0.445 424 L N 0.178 121.380 121.223 -0.035 0.000 2.046 424 L HA -0.179 4.161 4.340 0.000 0.000 0.208 424 L C 2.566 179.492 176.870 0.092 0.000 1.077 424 L CA 1.408 56.255 54.840 0.011 0.000 0.747 424 L CB -0.312 41.770 42.059 0.038 0.000 0.896 424 L HN 0.204 nan 8.230 nan 0.000 0.432 425 M N -1.400 118.276 119.600 0.127 0.000 2.086 425 M HA -0.233 4.247 4.480 0.000 0.000 0.261 425 M C 2.337 178.703 176.300 0.111 0.000 1.067 425 M CA 1.791 57.200 55.300 0.180 0.000 1.116 425 M CB -0.431 32.299 32.600 0.217 0.000 1.348 425 M HN 0.156 nan 8.290 nan 0.000 0.407 426 F N 1.645 121.586 119.950 -0.015 0.000 2.161 426 F HA -0.191 4.336 4.527 0.000 0.000 0.300 426 F C 1.803 177.578 175.800 -0.041 0.000 1.089 426 F CA 1.443 59.423 58.000 -0.033 0.000 1.282 426 F CB -0.256 38.708 39.000 -0.059 0.000 1.010 426 F HN 0.170 nan 8.300 nan 0.000 0.485 427 N N 0.173 118.800 118.700 -0.122 0.000 2.314 427 N HA 0.112 4.852 4.740 0.000 0.000 0.200 427 N C 1.379 176.796 175.510 -0.155 0.000 1.135 427 N CA 0.890 53.816 53.050 -0.207 0.000 0.835 427 N CB 0.041 38.431 38.487 -0.162 0.000 0.989 427 N HN 0.429 nan 8.380 nan 0.000 0.478 428 G N 1.027 109.761 108.800 -0.109 0.000 2.153 428 G HA2 -0.266 3.694 3.960 0.000 0.000 0.252 428 G HA3 -0.266 3.694 3.960 0.000 0.000 0.252 428 G C 0.772 175.676 174.900 0.006 0.000 0.994 428 G CA 0.192 45.259 45.100 -0.055 0.000 0.698 428 G HN 0.387 nan 8.290 nan 0.000 0.521 429 L N -1.837 119.407 121.223 0.036 0.000 2.529 429 L HA 0.474 4.814 4.340 0.000 0.000 0.223 429 L C 0.868 177.838 176.870 0.167 0.000 1.113 429 L CA 0.139 55.033 54.840 0.090 0.000 0.861 429 L CB 0.241 42.332 42.059 0.053 0.000 1.012 429 L HN 0.253 nan 8.230 nan 0.000 0.461 430 F N 1.066 121.026 119.950 0.017 0.000 2.518 430 F HA 0.494 5.021 4.527 0.000 0.000 0.323 430 F C -2.363 173.453 175.800 0.026 0.000 1.129 430 F CA -2.816 55.205 58.000 0.035 0.000 0.920 430 F CB 1.517 40.557 39.000 0.067 0.000 1.160 430 F HN -0.296 nan 8.300 nan 0.000 0.440 431 P HA 0.032 nan 4.420 nan 0.000 0.261 431 P C -1.391 175.874 177.300 -0.058 0.000 1.173 431 P CA 0.346 63.313 63.100 -0.222 0.000 0.760 431 P CB 0.399 31.892 31.700 -0.345 0.000 0.783 432 Q N 3.340 123.125 119.800 -0.026 0.000 2.309 432 Q HA 0.289 4.629 4.340 0.000 0.000 0.254 432 Q C -2.247 173.737 176.000 -0.027 0.000 0.938 432 Q CA -1.562 54.240 55.803 -0.001 0.000 0.789 432 Q CB 1.863 30.627 28.738 0.042 0.000 1.313 432 Q HN 0.404 nan 8.270 nan 0.000 0.438 433 P HA 0.143 nan 4.420 nan 0.000 0.272 433 P C 0.836 178.102 177.300 -0.056 0.000 1.254 433 P CA -0.385 62.690 63.100 -0.042 0.000 0.795 433 P CB 1.163 32.841 31.700 -0.037 0.000 1.022 434 L N -0.074 121.114 121.223 -0.058 0.000 2.353 434 L HA -0.128 4.212 4.340 0.000 0.000 0.220 434 L C 2.097 178.948 176.870 -0.031 0.000 1.133 434 L CA 1.937 56.755 54.840 -0.036 0.000 0.798 434 L CB -1.158 40.934 42.059 0.054 0.000 0.922 434 L HN 0.564 nan 8.230 nan 0.000 0.445 435 T N -5.292 109.245 114.554 -0.028 0.000 3.107 435 T HA 0.019 4.369 4.350 0.000 0.000 0.249 435 T C 0.459 175.127 174.700 -0.053 0.000 1.096 435 T CA -0.445 61.640 62.100 -0.025 0.000 1.012 435 T CB -0.282 68.580 68.868 -0.010 0.000 0.977 435 T HN 0.081 nan 8.240 nan 0.000 0.527 436 D N 1.980 122.337 120.400 -0.072 0.000 2.458 436 D HA 0.146 4.786 4.640 0.000 0.000 0.243 436 D C -0.124 176.115 176.300 -0.101 0.000 1.146 436 D CA 0.064 54.015 54.000 -0.082 0.000 0.877 436 D CB 0.505 41.256 40.800 -0.082 0.000 1.176 436 D HN 0.038 nan 8.370 nan 0.000 0.461 437 R N 3.724 124.164 120.500 -0.099 0.000 2.514 437 R HA 0.201 4.541 4.340 0.000 0.000 0.296 437 R C 0.301 176.500 176.300 -0.168 0.000 1.012 437 R CA -0.563 55.472 56.100 -0.109 0.000 0.897 437 R CB 1.361 31.616 30.300 -0.075 0.000 1.184 437 R HN 0.518 nan 8.270 nan 0.000 0.440 438 K N 1.179 121.419 120.400 -0.266 0.000 2.314 438 K HA 0.093 4.413 4.320 0.000 0.000 0.198 438 K C -0.177 175.942 176.600 -0.802 0.000 1.045 438 K CA 1.076 57.031 56.287 -0.552 0.000 0.988 438 K CB 0.430 32.490 32.500 -0.733 0.000 0.783 438 K HN 0.363 nan 8.250 nan 0.000 0.484 439 Y N 0.667 120.942 120.300 -0.043 0.000 2.584 439 Y HA 0.292 4.842 4.550 0.000 0.000 0.358 439 Y C -2.666 173.206 175.900 -0.046 0.000 1.028 439 Y CA -3.217 54.860 58.100 -0.038 0.000 1.148 439 Y CB 0.340 38.780 38.460 -0.034 0.000 1.126 439 Y HN -0.089 nan 8.280 nan 0.000 0.658 440 P HA 0.016 nan 4.420 nan 0.000 0.269 440 P C 0.397 177.706 177.300 0.015 0.000 1.215 440 P CA 0.196 63.298 63.100 0.003 0.000 0.780 440 P CB 0.583 32.270 31.700 -0.021 0.000 0.898 441 N N 0.654 119.353 118.700 -0.002 0.000 2.710 441 N HA -0.242 4.498 4.740 0.000 0.000 0.249 441 N C 0.738 176.246 175.510 -0.004 0.000 1.059 441 N CA 0.851 53.897 53.050 -0.006 0.000 0.720 441 N CB -1.185 37.300 38.487 -0.003 0.000 0.983 441 N HN 0.492 nan 8.380 nan 0.000 0.544 442 Q N -1.209 118.588 119.800 -0.005 0.000 2.170 442 Q HA -0.086 4.254 4.340 0.000 0.000 0.203 442 Q C 1.515 177.496 176.000 -0.032 0.000 0.976 442 Q CA 1.813 57.608 55.803 -0.013 0.000 0.858 442 Q CB -0.071 28.654 28.738 -0.021 0.000 0.907 442 Q HN 0.698 nan 8.270 nan 0.000 0.433 443 c N -0.339 118.236 118.600 -0.042 0.000 2.500 443 c HA 0.041 4.611 4.570 0.000 0.000 0.273 443 c C 2.169 176.243 174.090 -0.026 0.000 1.428 443 c CA 0.612 56.914 56.329 -0.046 0.000 1.766 443 c CB -0.972 41.503 42.510 -0.058 0.000 1.817 443 c HN 0.636 nan 8.230 nan 0.000 0.543 444 G N -0.095 108.695 108.800 -0.017 0.000 3.088 444 G HA2 0.170 4.130 3.960 0.000 0.000 0.217 444 G HA3 0.170 4.130 3.960 0.000 0.000 0.217 444 G C 0.664 175.560 174.900 -0.007 0.000 1.159 444 G CA 0.916 46.011 45.100 -0.009 0.000 0.760 444 G HN 0.570 nan 8.290 nan 0.000 0.550 445 T N -0.914 113.633 114.554 -0.011 0.000 3.418 445 T HA 0.670 5.020 4.350 0.000 0.000 0.315 445 T C -0.530 174.160 174.700 -0.016 0.000 1.447 445 T CA -0.507 61.587 62.100 -0.009 0.000 1.641 445 T CB 0.043 68.909 68.868 -0.004 0.000 0.904 445 T HN 0.010 nan 8.240 nan 0.000 0.640 446 I N 1.112 121.672 120.570 -0.018 0.000 2.533 446 I HA 0.656 4.826 4.170 0.000 0.000 0.290 446 I C 0.477 176.582 176.117 -0.020 0.000 1.056 446 I CA -0.775 60.510 61.300 -0.024 0.000 1.057 446 I CB 2.338 40.318 38.000 -0.034 0.000 1.240 446 I HN 0.503 nan 8.210 nan 0.000 0.423 447 S N 3.424 119.111 115.700 -0.021 0.000 3.897 447 S HA 0.149 4.620 4.470 0.000 0.000 0.214 447 S C 0.381 174.969 174.600 -0.020 0.000 1.102 447 S CA -0.193 57.997 58.200 -0.017 0.000 1.116 447 S CB 0.035 63.228 63.200 -0.012 0.000 1.288 447 S HN 0.641 nan 8.310 nan 0.000 0.458 448 N N 0.000 118.687 118.700 -0.021 0.000 1.763 448 N HA 0.000 4.740 4.740 0.000 0.000 0.220 448 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 448 N CB 0.000 38.474 38.487 -0.021 0.000 1.341 448 N HN 0.000 nan 8.380 nan 0.000 0.667