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 1z8n_1_A DATA FIRST_RESID 86 DATA SEQUENCE TFISRFAPDQ PRKGADILVE ALERQGVETV FAYPGGASME IHQALTRSSS DATA SEQUENCE IRNVLPRHEQ GGVFAAEGYA RSSGKPGICI ATSGPGATNL VSGLADALLD DATA SEQUENCE SVPLVAITGQ VPRRMIGTDA FQETPIVEVT RSITKHNYLV MDVEDIPRII DATA SEQUENCE EEAFFLATSG RPGPVLVDVP KDIQQQLAIP NWEQAMRLPG YMSRMPKPPE DATA SEQUENCE DSHLEQIVRL ISESKKPVLY VGGGCLNSSD ELGRFVELTG IPVASTLMGL DATA SEQUENCE GSYPXDDELS LHMLGMHGTV YANYAVEHSD LLLAFGVRFD DRVTGKLEAF DATA SEQUENCE ASRAKIVHID IDSAEIGKNK TPHVSVCGDV KLALQGMNKV LENRAEELKL DATA SEQUENCE DFGVWRNELN VQKQKFPLSF KTFGEAIPPQ YAIKVLDELT DGKAIISTGV DATA SEQUENCE GQHQMWAAQF YNYKKPRQWL SSGGLGAMGF GLPAAIGASV ANPDAIVVDI DATA SEQUENCE DGDGSFIMNV QELATIRVEN LPVKVLLLNN QHLGMVMQWE DRFYKANRAH DATA SEQUENCE TFLGDPAQED EIFPNMLLFA AACGIPAARV TKKADLREAI QTMLDTPGPY DATA SEQUENCE LLDVICPHQE HVLPMIPSGG TFNDVITEGD GR 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 86 T HA 0.000 nan 4.350 nan 0.000 0.228 86 T C 0.000 174.724 174.700 0.040 0.000 1.109 86 T CA 0.000 62.119 62.100 0.032 0.000 1.349 86 T CB 0.000 68.874 68.868 0.010 0.000 0.612 87 F N 3.587 123.482 119.950 -0.091 0.000 2.472 87 F HA 0.616 5.144 4.527 0.001 0.000 0.364 87 F C 0.511 176.246 175.800 -0.107 0.000 1.090 87 F CA -0.899 57.028 58.000 -0.122 0.000 1.188 87 F CB -0.007 38.874 39.000 -0.200 0.000 1.105 87 F HN 0.660 nan 8.300 nan 0.000 0.536 88 I N 5.346 125.454 120.570 -0.769 0.000 2.294 88 I HA 0.371 4.541 4.170 0.001 0.000 0.295 88 I C 0.514 176.095 176.117 -0.892 0.000 1.098 88 I CA -0.094 60.845 61.300 -0.602 0.000 1.277 88 I CB -0.045 37.724 38.000 -0.385 0.000 1.434 88 I HN 0.764 nan 8.210 nan 0.000 0.498 89 S N 3.816 119.201 115.700 -0.524 0.000 2.608 89 S HA 0.350 4.820 4.470 0.001 0.000 0.261 89 S C 1.315 175.826 174.600 -0.148 0.000 1.314 89 S CA 0.026 58.087 58.200 -0.232 0.000 0.992 89 S CB 0.509 63.767 63.200 0.096 0.000 0.935 89 S HN 0.790 nan 8.310 nan 0.000 0.564 90 R N -0.157 120.334 120.500 -0.015 0.000 2.334 90 R HA 0.247 4.587 4.340 0.001 0.000 0.212 90 R C -0.767 175.262 176.300 -0.452 0.000 0.897 90 R CA 0.163 56.111 56.100 -0.253 0.000 1.056 90 R CB 0.228 30.318 30.300 -0.350 0.000 1.046 90 R HN 0.496 nan 8.270 nan 0.000 0.513 91 F N -0.257 119.710 119.950 0.028 0.000 2.579 91 F HA 0.514 5.042 4.527 0.001 0.000 0.324 91 F C 0.284 176.114 175.800 0.049 0.000 1.058 91 F CA -1.547 56.481 58.000 0.047 0.000 0.944 91 F CB 0.917 39.967 39.000 0.083 0.000 1.245 91 F HN -0.196 nan 8.300 nan 0.000 0.477 92 A N 2.079 125.033 122.820 0.223 0.000 2.425 92 A HA 0.378 4.699 4.320 0.001 0.000 0.249 92 A C -1.858 175.824 177.584 0.162 0.000 1.084 92 A CA -1.136 50.985 52.037 0.140 0.000 0.781 92 A CB -0.118 18.940 19.000 0.097 0.000 1.019 92 A HN 0.635 nan 8.150 nan 0.000 0.490 93 P HA -0.162 nan 4.420 nan 0.000 0.221 93 P C 0.402 177.763 177.300 0.103 0.000 1.141 93 P CA 1.830 65.013 63.100 0.140 0.000 0.794 93 P CB 0.186 31.952 31.700 0.110 0.000 0.764 94 D N -3.024 117.426 120.400 0.084 0.000 2.500 94 D HA -0.003 4.637 4.640 0.001 0.000 0.217 94 D C 0.410 176.745 176.300 0.058 0.000 1.159 94 D CA -0.054 53.979 54.000 0.055 0.000 0.828 94 D CB -0.403 40.422 40.800 0.041 0.000 1.039 94 D HN 0.171 nan 8.370 nan 0.000 0.512 95 Q N 1.641 121.496 119.800 0.091 0.000 2.294 95 Q HA 0.307 4.647 4.340 0.001 0.000 0.257 95 Q C -2.574 173.474 176.000 0.079 0.000 0.955 95 Q CA -1.719 54.147 55.803 0.105 0.000 0.936 95 Q CB 1.402 30.241 28.738 0.169 0.000 1.188 95 Q HN -0.118 nan 8.270 nan 0.000 0.420 96 P HA 0.133 nan 4.420 nan 0.000 0.275 96 P C -1.269 176.017 177.300 -0.024 0.000 1.227 96 P CA -0.191 62.904 63.100 -0.009 0.000 0.781 96 P CB 0.702 32.398 31.700 -0.006 0.000 0.906 97 R N 1.213 121.634 120.500 -0.132 0.000 2.817 97 R HA 0.488 4.828 4.340 0.001 0.000 0.268 97 R C -0.870 175.324 176.300 -0.176 0.000 1.027 97 R CA -1.014 54.957 56.100 -0.215 0.000 0.928 97 R CB 0.504 30.342 30.300 -0.771 0.000 1.228 97 R HN 0.235 nan 8.270 nan 0.000 0.469 98 K N 0.041 120.367 120.400 -0.125 0.000 2.440 98 K HA 0.126 4.446 4.320 0.001 0.000 0.270 98 K C 1.453 177.993 176.600 -0.101 0.000 0.980 98 K CA 0.740 56.980 56.287 -0.077 0.000 0.953 98 K CB 0.383 32.868 32.500 -0.025 0.000 0.925 98 K HN 0.826 nan 8.250 nan 0.000 0.497 99 G N 1.448 110.206 108.800 -0.070 0.000 2.422 99 G HA2 -0.299 3.661 3.960 0.001 0.000 0.218 99 G HA3 -0.299 3.661 3.960 0.001 0.000 0.218 99 G C 1.488 176.361 174.900 -0.045 0.000 1.146 99 G CA 1.028 46.087 45.100 -0.068 0.000 0.769 99 G HN 0.684 nan 8.290 nan 0.000 0.547 100 A N 0.992 123.797 122.820 -0.025 0.000 1.940 100 A HA -0.119 4.202 4.320 0.001 0.000 0.219 100 A C 2.097 179.683 177.584 0.002 0.000 1.176 100 A CA 2.097 54.132 52.037 -0.002 0.000 0.631 100 A CB -0.415 18.594 19.000 0.015 0.000 0.814 100 A HN 0.324 nan 8.150 nan 0.000 0.446 101 D N -0.246 120.140 120.400 -0.025 0.000 2.144 101 D HA -0.076 4.565 4.640 0.001 0.000 0.200 101 D C 1.917 178.201 176.300 -0.026 0.000 0.978 101 D CA 1.150 55.133 54.000 -0.029 0.000 0.833 101 D CB -0.209 40.482 40.800 -0.182 0.000 0.961 101 D HN 0.532 nan 8.370 nan 0.000 0.470 102 I N 0.758 121.296 120.570 -0.053 0.000 2.286 102 I HA -0.244 3.926 4.170 0.001 0.000 0.248 102 I C 2.439 178.646 176.117 0.150 0.000 1.115 102 I CA 0.399 61.736 61.300 0.061 0.000 1.392 102 I CB -0.118 37.843 38.000 -0.066 0.000 1.065 102 I HN 0.002 nan 8.210 nan 0.000 0.418 103 L N 0.646 121.904 121.223 0.058 0.000 1.961 103 L HA -0.177 4.163 4.340 0.001 0.000 0.210 103 L C 2.485 179.388 176.870 0.055 0.000 1.072 103 L CA 1.869 56.742 54.840 0.056 0.000 0.749 103 L CB -0.593 41.480 42.059 0.024 0.000 0.889 103 L HN -0.045 nan 8.230 nan 0.000 0.432 104 V N 0.082 120.020 119.914 0.040 0.000 2.324 104 V HA -0.369 3.751 4.120 0.001 0.000 0.250 104 V C 2.636 178.734 176.094 0.007 0.000 1.060 104 V CA 2.250 64.563 62.300 0.023 0.000 1.042 104 V CB -0.850 30.998 31.823 0.041 0.000 0.650 104 V HN 0.667 nan 8.190 nan 0.000 0.450 105 E N -0.056 120.177 120.200 0.054 0.000 2.204 105 E HA -0.180 4.171 4.350 0.001 0.000 0.194 105 E C 2.162 178.572 176.600 -0.317 0.000 0.989 105 E CA 1.051 57.425 56.400 -0.042 0.000 0.824 105 E CB -0.183 29.573 29.700 0.094 0.000 0.756 105 E HN 0.609 nan 8.360 nan 0.000 0.477 106 A N 0.626 123.409 122.820 -0.062 0.000 1.969 106 A HA -0.090 4.230 4.320 0.001 0.000 0.218 106 A C 2.071 179.488 177.584 -0.278 0.000 1.169 106 A CA 0.782 52.783 52.037 -0.059 0.000 0.635 106 A CB -0.358 18.754 19.000 0.188 0.000 0.810 106 A HN 0.287 nan 8.150 nan 0.000 0.445 107 L N -0.888 120.198 121.223 -0.228 0.000 2.095 107 L HA -0.131 4.209 4.340 0.001 0.000 0.204 107 L C 2.517 179.185 176.870 -0.337 0.000 1.080 107 L CA 1.301 55.967 54.840 -0.289 0.000 0.759 107 L CB -0.580 41.418 42.059 -0.101 0.000 0.914 107 L HN 0.432 nan 8.230 nan 0.000 0.439 108 E N 0.292 120.309 120.200 -0.304 0.000 2.077 108 E HA -0.216 4.134 4.350 0.001 0.000 0.193 108 E C 2.223 178.487 176.600 -0.559 0.000 0.989 108 E CA 0.990 57.214 56.400 -0.294 0.000 0.800 108 E CB -0.093 29.541 29.700 -0.110 0.000 0.746 108 E HN 0.382 nan 8.360 nan 0.000 0.452 109 R N 0.405 120.353 120.500 -0.919 0.000 2.285 109 R HA -0.053 4.287 4.340 0.001 0.000 0.213 109 R C 1.703 177.694 176.300 -0.514 0.000 1.068 109 R CA 0.621 56.158 56.100 -0.939 0.000 1.004 109 R CB 0.143 29.816 30.300 -1.046 0.000 0.873 109 R HN 0.089 nan 8.270 nan 0.000 0.467 110 Q N -0.883 118.622 119.800 -0.492 0.000 2.319 110 Q HA 0.128 4.468 4.340 0.001 0.000 0.202 110 Q C 0.980 176.815 176.000 -0.276 0.000 0.896 110 Q CA 0.657 56.182 55.803 -0.464 0.000 0.942 110 Q CB 1.456 29.609 28.738 -0.975 0.000 1.083 110 Q HN 0.520 nan 8.270 nan 0.000 0.510 111 G N 0.270 108.944 108.800 -0.210 0.000 2.176 111 G HA2 -0.267 3.694 3.960 0.001 0.000 0.253 111 G HA3 -0.267 3.694 3.960 0.001 0.000 0.253 111 G C 0.323 175.210 174.900 -0.022 0.000 0.979 111 G CA 0.260 45.315 45.100 -0.076 0.000 0.641 111 G HN 0.234 nan 8.290 nan 0.000 0.530 112 V N 0.873 120.749 119.914 -0.064 0.000 2.617 112 V HA 0.234 4.354 4.120 0.001 0.000 0.304 112 V C 1.258 177.357 176.094 0.007 0.000 1.040 112 V CA 1.661 63.969 62.300 0.014 0.000 1.149 112 V CB 1.069 32.891 31.823 -0.001 0.000 0.914 112 V HN 0.581 nan 8.190 nan 0.000 0.487 113 E N 1.812 122.037 120.200 0.041 0.000 2.508 113 E HA 0.162 4.512 4.350 0.001 0.000 0.217 113 E C -0.022 176.555 176.600 -0.039 0.000 0.896 113 E CA 0.094 56.509 56.400 0.025 0.000 1.118 113 E CB 1.016 30.764 29.700 0.080 0.000 1.133 113 E HN 0.727 nan 8.360 nan 0.000 0.526 114 T N 1.473 115.955 114.554 -0.119 0.000 2.916 114 T HA 0.494 4.845 4.350 0.001 0.000 0.298 114 T C -0.655 173.742 174.700 -0.506 0.000 1.031 114 T CA -0.772 61.112 62.100 -0.361 0.000 0.993 114 T CB 2.260 70.833 68.868 -0.492 0.000 1.045 114 T HN 0.037 nan 8.240 nan 0.000 0.454 115 V N -0.525 119.035 119.914 -0.589 0.000 3.130 115 V HA 0.893 5.013 4.120 0.001 0.000 0.310 115 V C -1.869 173.772 176.094 -0.756 0.000 1.158 115 V CA -1.311 60.707 62.300 -0.470 0.000 1.029 115 V CB 2.030 33.721 31.823 -0.220 0.000 1.057 115 V HN 0.769 nan 8.190 nan 0.000 0.436 116 F N 1.855 121.750 119.950 -0.091 0.000 2.532 116 F HA 0.879 5.406 4.527 0.001 0.000 0.365 116 F C 0.417 176.221 175.800 0.007 0.000 1.112 116 F CA -0.150 57.828 58.000 -0.037 0.000 1.082 116 F CB 1.575 40.553 39.000 -0.038 0.000 1.319 116 F HN 0.923 nan 8.300 nan 0.000 0.457 117 A N 2.816 125.706 122.820 0.116 0.000 2.343 117 A HA 0.683 5.004 4.320 0.001 0.000 0.316 117 A C -2.108 175.668 177.584 0.320 0.000 1.104 117 A CA -0.686 51.453 52.037 0.170 0.000 0.768 117 A CB 0.904 19.874 19.000 -0.049 0.000 1.213 117 A HN 0.642 nan 8.150 nan 0.000 0.456 118 Y N 3.618 124.033 120.300 0.192 0.000 2.328 118 Y HA 0.508 5.059 4.550 0.001 0.000 0.337 118 Y C -2.443 173.457 175.900 -0.000 0.000 0.966 118 Y CA -1.968 56.183 58.100 0.086 0.000 1.136 118 Y CB 1.723 40.194 38.460 0.017 0.000 1.170 118 Y HN 0.532 nan 8.280 nan 0.000 0.470 119 P HA 0.275 nan 4.420 nan 0.000 0.270 119 P C -0.592 176.617 177.300 -0.151 0.000 1.221 119 P CA 0.343 63.073 63.100 -0.617 0.000 0.788 119 P CB 0.647 31.932 31.700 -0.691 0.000 0.904 120 G N -0.930 107.784 108.800 -0.145 0.000 2.489 120 G HA2 0.413 4.373 3.960 0.001 0.000 0.291 120 G HA3 0.413 4.373 3.960 0.001 0.000 0.291 120 G C 0.732 175.618 174.900 -0.025 0.000 1.487 120 G CA -0.098 44.982 45.100 -0.034 0.000 0.795 120 G HN 0.555 nan 8.290 nan 0.000 0.513 121 G N 0.313 109.113 108.800 0.001 0.000 2.491 121 G HA2 0.093 4.054 3.960 0.001 0.000 0.218 121 G HA3 0.093 4.054 3.960 0.001 0.000 0.218 121 G C 2.032 176.944 174.900 0.020 0.000 1.180 121 G CA 2.177 47.291 45.100 0.023 0.000 0.774 121 G HN 1.674 nan 8.290 nan 0.000 0.562 122 A N 0.488 123.311 122.820 0.006 0.000 2.121 122 A HA 0.134 4.454 4.320 0.001 0.000 0.218 122 A C 2.420 180.024 177.584 0.033 0.000 1.154 122 A CA 2.256 54.299 52.037 0.010 0.000 0.679 122 A CB -0.252 18.739 19.000 -0.014 0.000 0.795 122 A HN 0.794 nan 8.150 nan 0.000 0.458 123 S N -2.090 113.643 115.700 0.056 0.000 2.559 123 S HA 0.231 4.701 4.470 0.001 0.000 0.226 123 S C 1.570 176.268 174.600 0.162 0.000 1.000 123 S CA 0.297 58.569 58.200 0.120 0.000 0.948 123 S CB -0.360 62.956 63.200 0.193 0.000 0.870 123 S HN 0.404 nan 8.310 nan 0.000 0.497 124 M N 1.871 121.517 119.600 0.076 0.000 2.088 124 M HA -0.175 4.305 4.480 0.001 0.000 0.256 124 M C 2.199 178.558 176.300 0.098 0.000 1.071 124 M CA 1.870 57.207 55.300 0.061 0.000 1.097 124 M CB -0.542 32.070 32.600 0.020 0.000 1.315 124 M HN 0.304 nan 8.290 nan 0.000 0.406 125 E N 0.464 120.707 120.200 0.071 0.000 2.070 125 E HA -0.204 4.146 4.350 0.001 0.000 0.197 125 E C 1.908 178.549 176.600 0.068 0.000 1.004 125 E CA 1.517 57.953 56.400 0.059 0.000 0.805 125 E CB -0.561 29.163 29.700 0.040 0.000 0.744 125 E HN 0.607 nan 8.360 nan 0.000 0.451 126 I N 0.694 121.308 120.570 0.074 0.000 2.163 126 I HA -0.294 3.877 4.170 0.001 0.000 0.243 126 I C 2.581 178.706 176.117 0.014 0.000 1.085 126 I CA 1.235 62.558 61.300 0.038 0.000 1.347 126 I CB -0.464 37.552 38.000 0.026 0.000 1.044 126 I HN 0.194 nan 8.210 nan 0.000 0.408 127 H N 0.542 119.615 119.070 0.005 0.000 2.319 127 H HA -0.175 4.382 4.556 0.001 0.000 0.299 127 H C 2.365 177.694 175.328 0.000 0.000 1.092 127 H CA 1.393 57.438 56.048 -0.005 0.000 1.302 127 H CB -0.043 29.707 29.762 -0.019 0.000 1.373 127 H HN 0.408 nan 8.280 nan 0.000 0.497 128 Q N 0.338 120.213 119.800 0.124 0.000 2.061 128 Q HA -0.100 4.241 4.340 0.001 0.000 0.204 128 Q C 2.541 178.578 176.000 0.061 0.000 0.984 128 Q CA 1.197 57.045 55.803 0.076 0.000 0.846 128 Q CB -0.516 28.261 28.738 0.065 0.000 0.902 128 Q HN 0.440 nan 8.270 nan 0.000 0.421 129 A N 0.713 123.568 122.820 0.059 0.000 2.019 129 A HA -0.134 4.187 4.320 0.001 0.000 0.219 129 A C 2.060 179.671 177.584 0.045 0.000 1.164 129 A CA 0.893 52.970 52.037 0.067 0.000 0.644 129 A CB -0.344 18.692 19.000 0.059 0.000 0.805 129 A HN 0.228 nan 8.150 nan 0.000 0.449 130 L N 0.369 121.593 121.223 0.001 0.000 2.093 130 L HA -0.118 4.222 4.340 0.001 0.000 0.208 130 L C 2.926 179.790 176.870 -0.010 0.000 1.085 130 L CA 2.528 57.348 54.840 -0.033 0.000 0.755 130 L CB -1.836 40.155 42.059 -0.114 0.000 0.904 130 L HN 0.679 nan 8.230 nan 0.000 0.435 131 T N -3.209 111.349 114.554 0.007 0.000 2.962 131 T HA -0.184 4.166 4.350 0.001 0.000 0.270 131 T C 1.915 176.621 174.700 0.011 0.000 1.088 131 T CA 0.737 62.842 62.100 0.008 0.000 1.127 131 T CB -0.292 68.587 68.868 0.017 0.000 0.883 131 T HN 0.251 nan 8.240 nan 0.000 0.493 132 R N 1.159 121.675 120.500 0.027 0.000 2.276 132 R HA 0.234 4.574 4.340 0.001 0.000 0.203 132 R C 1.212 177.524 176.300 0.019 0.000 1.017 132 R CA 0.282 56.398 56.100 0.027 0.000 1.010 132 R CB 0.036 30.379 30.300 0.070 0.000 0.900 132 R HN 0.358 nan 8.270 nan 0.000 0.469 133 S N -0.275 115.440 115.700 0.024 0.000 2.541 133 S HA 0.165 4.635 4.470 0.001 0.000 0.283 133 S C 0.959 175.559 174.600 -0.001 0.000 1.196 133 S CA -0.681 57.532 58.200 0.022 0.000 1.062 133 S CB 1.495 64.713 63.200 0.030 0.000 1.009 133 S HN 0.233 nan 8.310 nan 0.000 0.502 134 S N 2.221 117.918 115.700 -0.005 0.000 2.520 134 S HA 0.038 4.508 4.470 0.001 0.000 0.219 134 S C 1.592 176.187 174.600 -0.008 0.000 1.028 134 S CA 0.442 58.635 58.200 -0.013 0.000 0.921 134 S CB -0.323 62.864 63.200 -0.023 0.000 0.844 134 S HN 0.823 nan 8.310 nan 0.000 0.495 135 S N 1.256 116.960 115.700 0.005 0.000 2.496 135 S HA 0.337 4.808 4.470 0.001 0.000 0.224 135 S C 0.478 175.079 174.600 0.002 0.000 0.996 135 S CA -0.333 57.875 58.200 0.013 0.000 0.927 135 S CB -0.624 62.602 63.200 0.044 0.000 0.774 135 S HN 0.537 nan 8.310 nan 0.000 0.524 136 I N 2.460 123.022 120.570 -0.013 0.000 2.362 136 I HA 0.421 4.591 4.170 0.001 0.000 0.289 136 I C 0.006 176.084 176.117 -0.065 0.000 0.994 136 I CA -0.806 60.469 61.300 -0.043 0.000 1.158 136 I CB 1.594 39.562 38.000 -0.054 0.000 1.315 136 I HN 0.154 nan 8.210 nan 0.000 0.451 137 R N 6.512 126.960 120.500 -0.088 0.000 2.349 137 R HA 0.329 4.669 4.340 0.001 0.000 0.299 137 R C -0.704 175.486 176.300 -0.183 0.000 1.027 137 R CA -0.438 55.600 56.100 -0.104 0.000 0.958 137 R CB 1.045 31.296 30.300 -0.082 0.000 1.047 137 R HN 0.744 nan 8.270 nan 0.000 0.468 138 N N 3.506 122.111 118.700 -0.159 0.000 2.417 138 N HA 0.218 4.958 4.740 0.001 0.000 0.274 138 N C -1.423 173.985 175.510 -0.170 0.000 0.987 138 N CA -0.645 52.286 53.050 -0.199 0.000 0.912 138 N CB 1.619 40.027 38.487 -0.133 0.000 1.177 138 N HN 0.315 nan 8.380 nan 0.000 0.490 139 V N 4.716 124.476 119.914 -0.257 0.000 2.318 139 V HA 0.200 4.321 4.120 0.001 0.000 0.271 139 V C 0.224 176.339 176.094 0.035 0.000 1.030 139 V CA -0.754 61.485 62.300 -0.102 0.000 0.844 139 V CB 0.774 32.540 31.823 -0.094 0.000 1.015 139 V HN 0.573 nan 8.190 nan 0.000 0.460 140 L N 10.251 131.502 121.223 0.048 0.000 2.369 140 L HA 0.505 4.845 4.340 0.001 0.000 0.279 140 L C -1.885 175.071 176.870 0.143 0.000 1.108 140 L CA -0.583 54.305 54.840 0.080 0.000 0.852 140 L CB 0.720 42.774 42.059 -0.008 0.000 1.169 140 L HN 0.399 nan 8.230 nan 0.000 0.452 141 P HA 0.302 nan 4.420 nan 0.000 0.284 141 P C -0.470 177.012 177.300 0.303 0.000 1.292 141 P CA -0.511 62.725 63.100 0.226 0.000 0.800 141 P CB 0.968 32.791 31.700 0.205 0.000 1.188 142 R N -1.258 119.363 120.500 0.201 0.000 2.334 142 R HA 0.185 4.525 4.340 0.001 0.000 0.216 142 R C 0.343 176.704 176.300 0.103 0.000 0.905 142 R CA 0.288 56.518 56.100 0.217 0.000 1.064 142 R CB -0.927 29.436 30.300 0.106 0.000 1.046 142 R HN 0.703 nan 8.270 nan 0.000 0.508 143 H N -1.167 117.825 119.070 -0.130 0.000 3.123 143 H HA 0.120 4.676 4.556 0.001 0.000 0.346 143 H C 0.044 175.201 175.328 -0.285 0.000 1.138 143 H CA -0.294 55.564 56.048 -0.317 0.000 1.273 143 H CB 1.470 31.095 29.762 -0.228 0.000 1.926 143 H HN -0.257 nan 8.280 nan 0.000 0.524 144 E N 1.905 122.002 120.200 -0.171 0.000 2.097 144 E HA -0.282 4.069 4.350 0.001 0.000 0.196 144 E C 1.896 178.465 176.600 -0.053 0.000 1.000 144 E CA 1.875 58.229 56.400 -0.077 0.000 0.804 144 E CB 0.063 29.677 29.700 -0.144 0.000 0.740 144 E HN 0.662 nan 8.360 nan 0.000 0.454 145 Q N -0.205 119.604 119.800 0.015 0.000 2.181 145 Q HA -0.158 4.182 4.340 0.001 0.000 0.205 145 Q C 2.080 177.763 176.000 -0.529 0.000 0.980 145 Q CA 1.773 57.313 55.803 -0.439 0.000 0.862 145 Q CB -0.383 27.981 28.738 -0.623 0.000 0.905 145 Q HN 0.358 nan 8.270 nan 0.000 0.429 146 G N -0.360 108.281 108.800 -0.265 0.000 2.402 146 G HA2 -0.173 3.788 3.960 0.001 0.000 0.216 146 G HA3 -0.173 3.788 3.960 0.001 0.000 0.216 146 G C 1.281 176.102 174.900 -0.132 0.000 1.162 146 G CA 0.531 45.535 45.100 -0.160 0.000 0.777 146 G HN 0.522 nan 8.290 nan 0.000 0.539 147 G N 0.348 109.105 108.800 -0.072 0.000 2.459 147 G HA2 -0.221 3.739 3.960 0.001 0.000 0.217 147 G HA3 -0.221 3.739 3.960 0.001 0.000 0.217 147 G C 1.814 176.641 174.900 -0.121 0.000 1.183 147 G CA 1.330 46.423 45.100 -0.012 0.000 0.776 147 G HN 0.405 nan 8.290 nan 0.000 0.552 148 V N -0.000 119.829 119.914 -0.141 0.000 2.427 148 V HA -0.022 4.099 4.120 0.001 0.000 0.248 148 V C 2.489 178.560 176.094 -0.037 0.000 1.051 148 V CA 1.688 63.920 62.300 -0.114 0.000 1.048 148 V CB -0.435 31.303 31.823 -0.142 0.000 0.666 148 V HN 0.473 nan 8.190 nan 0.000 0.456 149 F N 0.048 119.887 119.950 -0.186 0.000 2.234 149 F HA -0.074 4.454 4.527 0.001 0.000 0.299 149 F C 2.465 178.010 175.800 -0.425 0.000 1.087 149 F CA 0.668 58.509 58.000 -0.264 0.000 1.340 149 F CB -0.278 38.541 39.000 -0.302 0.000 1.031 149 F HN 0.323 nan 8.300 nan 0.000 0.500 150 A N 0.133 122.766 122.820 -0.312 0.000 1.968 150 A HA -0.035 4.286 4.320 0.001 0.000 0.217 150 A C 2.294 179.366 177.584 -0.853 0.000 1.169 150 A CA 1.323 52.984 52.037 -0.625 0.000 0.638 150 A CB -0.857 17.646 19.000 -0.828 0.000 0.812 150 A HN 0.298 nan 8.150 nan 0.000 0.446 151 A N -0.203 122.174 122.820 -0.738 0.000 1.969 151 A HA -0.132 4.189 4.320 0.001 0.000 0.218 151 A C 1.927 179.472 177.584 -0.064 0.000 1.169 151 A CA 1.497 53.312 52.037 -0.369 0.000 0.635 151 A CB -0.396 18.538 19.000 -0.109 0.000 0.810 151 A HN 0.612 nan 8.150 nan 0.000 0.445 152 E N -0.655 119.517 120.200 -0.047 0.000 2.072 152 E HA -0.102 4.249 4.350 0.001 0.000 0.191 152 E C 2.208 178.824 176.600 0.027 0.000 0.985 152 E CA 0.744 57.178 56.400 0.057 0.000 0.801 152 E CB -0.337 29.474 29.700 0.184 0.000 0.750 152 E HN 0.603 nan 8.360 nan 0.000 0.452 153 G N 0.665 109.403 108.800 -0.103 0.000 2.446 153 G HA2 -0.318 3.643 3.960 0.001 0.000 0.217 153 G HA3 -0.318 3.643 3.960 0.001 0.000 0.217 153 G C 1.405 176.312 174.900 0.011 0.000 1.168 153 G CA 0.929 45.965 45.100 -0.107 0.000 0.771 153 G HN 0.267 nan 8.290 nan 0.000 0.551 154 Y N 1.939 122.192 120.300 -0.077 0.000 2.081 154 Y HA -0.146 4.405 4.550 0.001 0.000 0.280 154 Y C 3.022 178.953 175.900 0.053 0.000 1.163 154 Y CA 2.034 60.163 58.100 0.050 0.000 1.135 154 Y CB -0.388 38.180 38.460 0.181 0.000 0.970 154 Y HN 0.268 nan 8.280 nan 0.000 0.498 155 A N 0.302 123.266 122.820 0.241 0.000 1.845 155 A HA -0.219 4.101 4.320 0.001 0.000 0.215 155 A C 2.222 179.836 177.584 0.050 0.000 1.195 155 A CA 2.073 54.197 52.037 0.146 0.000 0.616 155 A CB -0.736 18.344 19.000 0.133 0.000 0.832 155 A HN 0.528 nan 8.150 nan 0.000 0.443 156 R N 0.313 120.836 120.500 0.039 0.000 2.091 156 R HA -0.119 4.221 4.340 0.001 0.000 0.238 156 R C 2.521 178.816 176.300 -0.007 0.000 1.136 156 R CA 1.730 57.837 56.100 0.012 0.000 0.959 156 R CB -0.440 29.865 30.300 0.009 0.000 0.856 156 R HN 0.698 nan 8.270 nan 0.000 0.437 157 S N -0.338 115.347 115.700 -0.025 0.000 2.515 157 S HA -0.030 4.440 4.470 0.001 0.000 0.231 157 S C 0.960 175.527 174.600 -0.056 0.000 0.987 157 S CA 0.518 58.695 58.200 -0.038 0.000 0.936 157 S CB -0.042 63.127 63.200 -0.051 0.000 0.766 157 S HN 0.318 nan 8.310 nan 0.000 0.528 158 S N -1.098 114.557 115.700 -0.075 0.000 2.998 158 S HA 0.774 5.244 4.470 0.001 0.000 0.323 158 S C 0.977 175.562 174.600 -0.026 0.000 1.141 158 S CA -0.221 57.931 58.200 -0.080 0.000 0.873 158 S CB 0.747 63.834 63.200 -0.189 0.000 1.315 158 S HN 0.261 nan 8.310 nan 0.000 0.637 159 G N -0.132 108.661 108.800 -0.011 0.000 2.709 159 G HA2 0.244 4.205 3.960 0.001 0.000 0.208 159 G HA3 0.244 4.205 3.960 0.001 0.000 0.208 159 G C 0.069 175.003 174.900 0.056 0.000 1.129 159 G CA -0.231 44.884 45.100 0.025 0.000 0.793 159 G HN 0.600 nan 8.290 nan 0.000 0.524 160 K N 1.385 121.826 120.400 0.068 0.000 2.336 160 K HA 0.270 4.590 4.320 0.001 0.000 0.262 160 K C -2.176 174.544 176.600 0.200 0.000 0.992 160 K CA -1.009 55.374 56.287 0.159 0.000 0.927 160 K CB 0.536 33.178 32.500 0.236 0.000 0.956 160 K HN 0.113 nan 8.250 nan 0.000 0.495 161 P HA 0.139 nan 4.420 nan 0.000 0.281 161 P C -0.520 176.923 177.300 0.239 0.000 1.264 161 P CA -0.654 62.544 63.100 0.162 0.000 0.824 161 P CB 0.995 32.731 31.700 0.060 0.000 1.092 162 G N 0.759 109.655 108.800 0.160 0.000 2.377 162 G HA2 0.533 4.494 3.960 0.001 0.000 0.299 162 G HA3 0.533 4.494 3.960 0.001 0.000 0.299 162 G C -0.930 174.007 174.900 0.061 0.000 1.150 162 G CA -0.341 44.856 45.100 0.163 0.000 0.847 162 G HN 0.294 nan 8.290 nan 0.000 0.501 163 I N 1.585 122.202 120.570 0.079 0.000 2.439 163 I HA 0.333 4.503 4.170 0.001 0.000 0.285 163 I C 0.246 176.439 176.117 0.126 0.000 1.021 163 I CA -0.774 60.562 61.300 0.059 0.000 1.091 163 I CB 1.612 39.658 38.000 0.076 0.000 1.242 163 I HN 0.692 nan 8.210 nan 0.000 0.439 164 C N 5.592 124.948 119.300 0.092 0.000 2.561 164 C HA 0.908 5.368 4.460 0.001 0.000 0.319 164 C C -0.374 174.656 174.990 0.067 0.000 1.198 164 C CA -1.033 58.058 59.018 0.121 0.000 1.665 164 C CB 0.675 28.472 27.740 0.095 0.000 2.258 164 C HN 0.659 nan 8.230 nan 0.000 0.493 165 I N 2.196 122.811 120.570 0.076 0.000 2.545 165 I HA 0.780 4.951 4.170 0.001 0.000 0.292 165 I C 0.259 176.445 176.117 0.115 0.000 1.040 165 I CA -0.358 60.979 61.300 0.062 0.000 1.068 165 I CB 1.980 39.983 38.000 0.005 0.000 1.251 165 I HN 1.113 nan 8.210 nan 0.000 0.424 166 A N 3.200 126.079 122.820 0.097 0.000 2.594 166 A HA 0.762 5.082 4.320 0.001 0.000 0.291 166 A C -0.534 177.096 177.584 0.078 0.000 1.105 166 A CA -0.520 51.579 52.037 0.105 0.000 0.694 166 A CB 1.892 20.916 19.000 0.040 0.000 1.291 166 A HN 0.569 nan 8.150 nan 0.000 0.410 167 T N 0.003 114.595 114.554 0.063 0.000 2.771 167 T HA 0.519 4.870 4.350 0.001 0.000 0.290 167 T C 1.121 175.807 174.700 -0.024 0.000 1.005 167 T CA 0.458 62.572 62.100 0.023 0.000 0.944 167 T CB 0.121 68.993 68.868 0.007 0.000 1.147 167 T HN 1.664 nan 8.240 nan 0.000 0.534 168 S N 0.024 115.693 115.700 -0.052 0.000 2.626 168 S HA 0.521 4.992 4.470 0.001 0.000 0.257 168 S C 1.433 175.962 174.600 -0.118 0.000 1.288 168 S CA -0.086 58.066 58.200 -0.081 0.000 0.980 168 S CB -0.399 62.743 63.200 -0.096 0.000 0.975 168 S HN 1.563 nan 8.310 nan 0.000 0.577 169 G N 1.740 110.464 108.800 -0.126 0.000 2.692 169 G HA2 -0.324 3.636 3.960 0.001 0.000 0.339 169 G HA3 -0.324 3.636 3.960 0.001 0.000 0.339 169 G C -0.745 174.080 174.900 -0.125 0.000 1.226 169 G CA 0.694 45.710 45.100 -0.140 0.000 0.979 169 G HN 0.762 nan 8.290 nan 0.000 0.549 170 P HA -0.112 nan 4.420 nan 0.000 0.216 170 P C 1.974 179.185 177.300 -0.148 0.000 1.150 170 P CA 2.985 66.004 63.100 -0.136 0.000 0.843 170 P CB -0.791 30.824 31.700 -0.141 0.000 0.787 171 G N 0.657 109.375 108.800 -0.137 0.000 2.453 171 G HA2 -0.234 3.726 3.960 0.001 0.000 0.215 171 G HA3 -0.234 3.726 3.960 0.001 0.000 0.215 171 G C 1.921 176.760 174.900 -0.102 0.000 1.201 171 G CA 1.418 46.441 45.100 -0.129 0.000 0.784 171 G HN 0.381 nan 8.290 nan 0.000 0.545 172 A N 0.767 123.540 122.820 -0.078 0.000 1.883 172 A HA -0.091 4.230 4.320 0.001 0.000 0.217 172 A C 2.645 180.188 177.584 -0.069 0.000 1.186 172 A CA 3.054 55.053 52.037 -0.063 0.000 0.624 172 A CB -1.304 17.663 19.000 -0.055 0.000 0.822 172 A HN 0.636 nan 8.150 nan 0.000 0.444 173 T N -2.371 112.137 114.554 -0.077 0.000 3.007 173 T HA -0.103 4.247 4.350 0.001 0.000 0.270 173 T C 1.306 175.963 174.700 -0.072 0.000 1.107 173 T CA 1.511 63.569 62.100 -0.069 0.000 1.118 173 T CB -0.807 68.021 68.868 -0.068 0.000 0.889 173 T HN 0.611 nan 8.240 nan 0.000 0.506 174 N N 0.491 119.138 118.700 -0.087 0.000 2.550 174 N HA 0.186 4.926 4.740 0.001 0.000 0.186 174 N C 1.257 176.709 175.510 -0.097 0.000 1.110 174 N CA 0.227 53.232 53.050 -0.075 0.000 0.912 174 N CB -0.151 38.266 38.487 -0.117 0.000 0.968 174 N HN 0.441 nan 8.380 nan 0.000 0.448 175 L N -0.560 120.605 121.223 -0.096 0.000 2.513 175 L HA 0.089 4.430 4.340 0.001 0.000 0.222 175 L C 1.900 178.715 176.870 -0.093 0.000 1.096 175 L CA 0.023 54.798 54.840 -0.108 0.000 0.857 175 L CB -0.090 41.926 42.059 -0.071 0.000 1.026 175 L HN -0.025 nan 8.230 nan 0.000 0.469 176 V N 0.065 119.936 119.914 -0.072 0.000 2.250 176 V HA -0.375 3.746 4.120 0.001 0.000 0.253 176 V C 2.654 178.727 176.094 -0.034 0.000 1.065 176 V CA 2.406 64.677 62.300 -0.049 0.000 1.039 176 V CB -0.643 31.154 31.823 -0.045 0.000 0.647 176 V HN 0.419 nan 8.190 nan 0.000 0.446 177 S N 0.082 115.752 115.700 -0.050 0.000 2.370 177 S HA -0.155 4.315 4.470 0.001 0.000 0.226 177 S C 2.038 176.695 174.600 0.094 0.000 1.033 177 S CA 1.416 59.621 58.200 0.008 0.000 1.011 177 S CB -0.727 62.467 63.200 -0.010 0.000 0.852 177 S HN 0.744 nan 8.310 nan 0.000 0.457 178 G N 1.587 110.388 108.800 0.002 0.000 2.418 178 G HA2 -0.137 3.823 3.960 0.001 0.000 0.217 178 G HA3 -0.137 3.823 3.960 0.001 0.000 0.217 178 G C 1.324 176.300 174.900 0.127 0.000 1.158 178 G CA 0.707 45.895 45.100 0.148 0.000 0.771 178 G HN 0.455 nan 8.290 nan 0.000 0.545 179 L N 0.729 121.978 121.223 0.042 0.000 2.017 179 L HA -0.032 4.308 4.340 0.001 0.000 0.208 179 L C 3.409 180.296 176.870 0.028 0.000 1.073 179 L CA 1.114 55.969 54.840 0.025 0.000 0.745 179 L CB -0.609 41.449 42.059 -0.003 0.000 0.894 179 L HN 0.272 nan 8.230 nan 0.000 0.432 180 A N 0.104 122.940 122.820 0.027 0.000 1.908 180 A HA -0.303 4.018 4.320 0.001 0.000 0.218 180 A C 1.956 179.549 177.584 0.016 0.000 1.181 180 A CA 2.268 54.314 52.037 0.015 0.000 0.627 180 A CB -0.731 18.276 19.000 0.011 0.000 0.818 180 A HN 0.473 nan 8.150 nan 0.000 0.445 181 D N -0.345 120.085 120.400 0.050 0.000 2.084 181 D HA -0.045 4.596 4.640 0.001 0.000 0.194 181 D C 2.056 178.352 176.300 -0.006 0.000 0.990 181 D CA 1.832 55.841 54.000 0.015 0.000 0.826 181 D CB -0.249 40.607 40.800 0.094 0.000 0.971 181 D HN 0.331 nan 8.370 nan 0.000 0.453 182 A N -0.320 122.525 122.820 0.041 0.000 2.019 182 A HA -0.082 4.238 4.320 0.001 0.000 0.219 182 A C 2.137 179.721 177.584 -0.000 0.000 1.164 182 A CA 1.150 53.201 52.037 0.023 0.000 0.644 182 A CB -0.702 18.325 19.000 0.044 0.000 0.805 182 A HN 0.402 nan 8.150 nan 0.000 0.449 183 L N -1.016 120.206 121.223 -0.000 0.000 2.095 183 L HA 0.072 4.412 4.340 0.001 0.000 0.204 183 L C 2.204 179.066 176.870 -0.012 0.000 1.080 183 L CA 1.341 56.178 54.840 -0.005 0.000 0.759 183 L CB -0.284 41.773 42.059 -0.003 0.000 0.914 183 L HN 0.339 nan 8.230 nan 0.000 0.439 184 L N -0.680 120.531 121.223 -0.021 0.000 2.093 184 L HA -0.132 4.209 4.340 0.001 0.000 0.208 184 L C 1.067 177.914 176.870 -0.039 0.000 1.085 184 L CA 1.027 55.849 54.840 -0.030 0.000 0.755 184 L CB -0.310 41.725 42.059 -0.040 0.000 0.904 184 L HN 0.232 nan 8.230 nan 0.000 0.435 185 D N -0.661 119.707 120.400 -0.055 0.000 2.358 185 D HA 0.072 4.712 4.640 0.001 0.000 0.224 185 D C 0.199 176.477 176.300 -0.038 0.000 1.123 185 D CA 0.103 54.065 54.000 -0.063 0.000 0.833 185 D CB 0.233 40.963 40.800 -0.116 0.000 0.946 185 D HN -0.052 nan 8.370 nan 0.000 0.505 186 S N -0.141 115.545 115.700 -0.023 0.000 3.310 186 S HA -0.143 4.328 4.470 0.001 0.000 0.381 186 S C -0.022 174.572 174.600 -0.011 0.000 0.908 186 S CA 0.045 58.238 58.200 -0.013 0.000 1.333 186 S CB -0.840 62.355 63.200 -0.008 0.000 0.931 186 S HN 0.110 nan 8.310 nan 0.000 0.570 187 V N 3.315 123.225 119.914 -0.007 0.000 2.448 187 V HA 0.392 4.512 4.120 0.001 0.000 0.295 187 V C -2.173 173.923 176.094 0.003 0.000 1.025 187 V CA -2.244 60.058 62.300 0.003 0.000 0.859 187 V CB 1.855 33.687 31.823 0.014 0.000 0.988 187 V HN 0.177 nan 8.190 nan 0.000 0.431 188 P HA 0.269 nan 4.420 nan 0.000 0.261 188 P C -0.924 176.368 177.300 -0.014 0.000 1.203 188 P CA 0.213 63.307 63.100 -0.010 0.000 0.767 188 P CB 0.416 32.125 31.700 0.014 0.000 0.785 189 L N 4.849 126.036 121.223 -0.061 0.000 2.505 189 L HA 0.499 4.839 4.340 0.001 0.000 0.259 189 L C -1.435 175.344 176.870 -0.152 0.000 0.952 189 L CA -0.598 54.200 54.840 -0.069 0.000 0.840 189 L CB 2.539 44.586 42.059 -0.020 0.000 1.358 189 L HN 0.009 nan 8.230 nan 0.000 0.409 190 V N 3.196 122.994 119.914 -0.193 0.000 2.482 190 V HA 0.863 4.983 4.120 0.001 0.000 0.295 190 V C -0.272 175.760 176.094 -0.105 0.000 1.026 190 V CA -0.499 61.652 62.300 -0.248 0.000 0.856 190 V CB 1.496 32.956 31.823 -0.605 0.000 1.001 190 V HN 0.889 nan 8.190 nan 0.000 0.424 191 A N 6.402 129.188 122.820 -0.057 0.000 2.303 191 A HA 0.888 5.209 4.320 0.001 0.000 0.320 191 A C -0.652 176.932 177.584 -0.000 0.000 1.192 191 A CA -0.439 51.588 52.037 -0.017 0.000 0.821 191 A CB 0.562 19.553 19.000 -0.016 0.000 1.188 191 A HN 0.795 nan 8.150 nan 0.000 0.492 192 I N 3.192 123.770 120.570 0.015 0.000 2.355 192 I HA 0.322 4.492 4.170 0.001 0.000 0.288 192 I C 0.114 176.244 176.117 0.022 0.000 0.999 192 I CA -0.236 61.078 61.300 0.022 0.000 1.163 192 I CB 1.930 39.947 38.000 0.030 0.000 1.316 192 I HN 0.712 nan 8.210 nan 0.000 0.454 193 T N 2.022 116.585 114.554 0.015 0.000 2.823 193 T HA 0.626 4.976 4.350 0.001 0.000 0.279 193 T C 0.198 174.905 174.700 0.012 0.000 0.998 193 T CA -0.819 61.288 62.100 0.011 0.000 0.994 193 T CB 1.785 70.649 68.868 -0.006 0.000 0.960 193 T HN 0.622 nan 8.240 nan 0.000 0.448 194 G N 1.253 110.063 108.800 0.017 0.000 2.415 194 G HA2 0.502 4.462 3.960 0.001 0.000 0.269 194 G HA3 0.502 4.462 3.960 0.001 0.000 0.269 194 G C -0.588 174.308 174.900 -0.006 0.000 1.209 194 G CA -0.362 44.746 45.100 0.014 0.000 0.835 194 G HN 0.771 nan 8.290 nan 0.000 0.534 195 Q N 0.135 119.931 119.800 -0.007 0.000 2.445 195 Q HA 0.567 4.907 4.340 0.001 0.000 0.281 195 Q C 0.113 176.105 176.000 -0.014 0.000 1.101 195 Q CA -0.717 55.076 55.803 -0.017 0.000 0.833 195 Q CB 1.954 30.684 28.738 -0.014 0.000 1.416 195 Q HN 0.824 nan 8.270 nan 0.000 0.451 196 V N -0.326 119.576 119.914 -0.020 0.000 3.051 196 V HA 0.544 4.665 4.120 0.001 0.000 0.306 196 V C -2.255 173.839 176.094 0.000 0.000 1.083 196 V CA -1.650 60.645 62.300 -0.008 0.000 1.104 196 V CB -0.036 31.782 31.823 -0.008 0.000 1.027 196 V HN 0.771 nan 8.190 nan 0.000 0.483 197 P HA 0.140 nan 4.420 nan 0.000 0.265 197 P C 0.370 177.672 177.300 0.003 0.000 1.187 197 P CA 0.177 63.281 63.100 0.006 0.000 0.766 197 P CB 0.331 32.038 31.700 0.011 0.000 0.820 198 R N 2.958 123.458 120.500 0.000 0.000 2.133 198 R HA -0.264 4.076 4.340 0.001 0.000 0.245 198 R C 2.329 178.629 176.300 -0.000 0.000 1.137 198 R CA 2.486 58.586 56.100 -0.001 0.000 0.947 198 R CB -0.712 29.586 30.300 -0.003 0.000 0.865 198 R HN 0.572 nan 8.270 nan 0.000 0.437 199 R N -0.257 120.244 120.500 0.001 0.000 2.159 199 R HA -0.090 4.250 4.340 0.001 0.000 0.237 199 R C 1.703 178.006 176.300 0.005 0.000 1.131 199 R CA 1.901 58.002 56.100 0.002 0.000 0.982 199 R CB -0.379 29.923 30.300 0.003 0.000 0.868 199 R HN 0.246 nan 8.270 nan 0.000 0.453 200 M N 0.961 120.565 119.600 0.007 0.000 2.561 200 M HA 0.229 4.710 4.480 0.001 0.000 0.238 200 M C 0.037 176.340 176.300 0.006 0.000 1.131 200 M CA 0.125 55.431 55.300 0.010 0.000 1.046 200 M CB 0.460 33.071 32.600 0.018 0.000 1.532 200 M HN 0.047 nan 8.290 nan 0.000 0.497 201 I N 0.651 121.221 120.570 0.001 0.000 2.618 201 I HA 0.007 4.177 4.170 0.001 0.000 0.284 201 I C 1.394 177.509 176.117 -0.003 0.000 1.146 201 I CA 0.592 61.889 61.300 -0.004 0.000 1.425 201 I CB 0.251 38.248 38.000 -0.006 0.000 1.383 201 I HN 0.577 nan 8.210 nan 0.000 0.562 202 G N 3.936 112.733 108.800 -0.005 0.000 2.284 202 G HA2 -0.359 3.601 3.960 0.001 0.000 0.247 202 G HA3 -0.359 3.601 3.960 0.001 0.000 0.247 202 G C 1.008 175.908 174.900 0.000 0.000 1.012 202 G CA 0.585 45.682 45.100 -0.004 0.000 0.618 202 G HN 0.700 nan 8.290 nan 0.000 0.521 203 T N -1.221 113.335 114.554 0.004 0.000 3.113 203 T HA 0.220 4.570 4.350 0.001 0.000 0.263 203 T C 0.902 175.609 174.700 0.012 0.000 1.143 203 T CA 1.332 63.437 62.100 0.008 0.000 1.090 203 T CB -0.054 68.821 68.868 0.012 0.000 0.922 203 T HN 1.097 nan 8.240 nan 0.000 0.521 204 D N 0.926 121.331 120.400 0.008 0.000 2.716 204 D HA -0.147 4.493 4.640 0.001 0.000 0.239 204 D C 0.351 176.667 176.300 0.027 0.000 1.125 204 D CA 0.632 54.638 54.000 0.010 0.000 0.681 204 D CB -1.349 39.456 40.800 0.009 0.000 1.070 204 D HN 0.792 nan 8.370 nan 0.000 0.432 205 A N 0.385 123.223 122.820 0.031 0.000 2.261 205 A HA 0.411 4.731 4.320 0.001 0.000 0.275 205 A C 0.376 178.021 177.584 0.102 0.000 1.246 205 A CA -0.132 51.946 52.037 0.067 0.000 0.810 205 A CB 0.043 19.080 19.000 0.060 0.000 1.168 205 A HN 0.379 nan 8.150 nan 0.000 0.506 206 F N -0.253 119.691 119.950 -0.010 0.000 2.427 206 F HA 0.379 4.906 4.527 0.001 0.000 0.352 206 F C 1.046 176.839 175.800 -0.012 0.000 1.100 206 F CA 0.538 58.532 58.000 -0.011 0.000 1.191 206 F CB 0.321 39.314 39.000 -0.010 0.000 1.128 206 F HN 0.786 nan 8.300 nan 0.000 0.533 207 Q N 2.392 121.704 119.800 -0.814 0.000 2.475 207 Q HA -0.289 4.051 4.340 0.001 0.000 0.280 207 Q C -0.822 174.970 176.000 -0.346 0.000 1.234 207 Q CA 1.329 56.677 55.803 -0.758 0.000 0.873 207 Q CB -0.979 27.050 28.738 -1.181 0.000 1.256 207 Q HN 0.851 nan 8.270 nan 0.000 0.475 208 E N -0.504 119.575 120.200 -0.201 0.000 2.195 208 E HA 0.696 5.046 4.350 0.001 0.000 0.271 208 E C -0.918 175.631 176.600 -0.087 0.000 0.923 208 E CA -0.290 56.043 56.400 -0.112 0.000 0.790 208 E CB 2.037 31.701 29.700 -0.059 0.000 1.155 208 E HN 0.100 nan 8.360 nan 0.000 0.402 209 T N 4.163 118.675 114.554 -0.071 0.000 2.982 209 T HA 0.339 4.689 4.350 0.001 0.000 0.321 209 T C -2.660 172.013 174.700 -0.046 0.000 1.229 209 T CA -1.435 60.630 62.100 -0.058 0.000 1.044 209 T CB 1.739 70.567 68.868 -0.066 0.000 1.184 209 T HN 0.385 nan 8.240 nan 0.000 0.477 210 P HA 0.264 nan 4.420 nan 0.000 0.230 210 P C 0.828 178.106 177.300 -0.036 0.000 1.791 210 P CA -0.326 62.754 63.100 -0.033 0.000 1.020 210 P CB -0.355 31.328 31.700 -0.028 0.000 1.977 211 I N 1.613 122.160 120.570 -0.039 0.000 2.264 211 I HA -0.245 3.925 4.170 0.001 0.000 0.248 211 I C 1.943 178.035 176.117 -0.041 0.000 1.111 211 I CA 1.592 62.868 61.300 -0.040 0.000 1.382 211 I CB -0.349 37.627 38.000 -0.039 0.000 1.060 211 I HN -0.035 nan 8.210 nan 0.000 0.418 212 V N 0.182 120.072 119.914 -0.042 0.000 2.343 212 V HA -0.283 3.837 4.120 0.001 0.000 0.247 212 V C 2.522 178.584 176.094 -0.052 0.000 1.051 212 V CA 2.110 64.379 62.300 -0.053 0.000 1.036 212 V CB -0.641 31.150 31.823 -0.054 0.000 0.654 212 V HN 0.444 nan 8.190 nan 0.000 0.451 213 E N 0.013 120.188 120.200 -0.042 0.000 2.072 213 E HA -0.155 4.195 4.350 0.001 0.000 0.191 213 E C 2.074 178.654 176.600 -0.034 0.000 0.985 213 E CA 1.352 57.730 56.400 -0.036 0.000 0.801 213 E CB -0.325 29.357 29.700 -0.029 0.000 0.750 213 E HN 0.338 nan 8.360 nan 0.000 0.452 214 V N 0.383 120.276 119.914 -0.035 0.000 2.407 214 V HA -0.217 3.903 4.120 0.001 0.000 0.248 214 V C 2.117 178.192 176.094 -0.033 0.000 1.055 214 V CA 2.165 64.445 62.300 -0.033 0.000 1.049 214 V CB -0.749 31.053 31.823 -0.035 0.000 0.662 214 V HN 0.571 nan 8.190 nan 0.000 0.455 215 T N -2.887 111.645 114.554 -0.038 0.000 3.186 215 T HA 0.143 4.493 4.350 0.001 0.000 0.257 215 T C 1.435 176.110 174.700 -0.042 0.000 1.029 215 T CA -0.070 62.007 62.100 -0.038 0.000 0.916 215 T CB 0.159 69.003 68.868 -0.041 0.000 1.041 215 T HN 0.271 nan 8.240 nan 0.000 0.562 216 R N 2.533 123.009 120.500 -0.041 0.000 2.062 216 R HA -0.032 4.309 4.340 0.001 0.000 0.231 216 R C 2.376 178.661 176.300 -0.025 0.000 1.136 216 R CA 1.996 58.072 56.100 -0.040 0.000 0.948 216 R CB -0.558 29.721 30.300 -0.036 0.000 0.845 216 R HN 0.497 nan 8.270 nan 0.000 0.430 217 S N 0.049 115.737 115.700 -0.020 0.000 2.650 217 S HA 0.041 4.511 4.470 0.001 0.000 0.219 217 S C 1.286 175.879 174.600 -0.012 0.000 0.960 217 S CA 0.363 58.555 58.200 -0.013 0.000 0.925 217 S CB -0.382 62.811 63.200 -0.012 0.000 0.775 217 S HN 0.561 nan 8.310 nan 0.000 0.525 218 I N -0.801 119.760 120.570 -0.015 0.000 3.966 218 I HA 0.382 4.552 4.170 0.001 0.000 0.324 218 I C -0.033 176.077 176.117 -0.011 0.000 1.517 218 I CA -0.543 60.750 61.300 -0.012 0.000 1.117 218 I CB 0.384 38.377 38.000 -0.013 0.000 1.190 218 I HN 0.223 nan 8.210 nan 0.000 0.466 219 T N -2.977 111.569 114.554 -0.012 0.000 2.883 219 T HA 0.361 4.711 4.350 0.001 0.000 0.296 219 T C 0.440 175.141 174.700 0.001 0.000 1.117 219 T CA -0.666 61.428 62.100 -0.011 0.000 1.006 219 T CB 2.963 71.816 68.868 -0.026 0.000 1.191 219 T HN 0.149 nan 8.240 nan 0.000 0.508 220 K N -0.169 120.237 120.400 0.009 0.000 2.097 220 K HA -0.025 4.295 4.320 0.001 0.000 0.205 220 K C 0.197 176.841 176.600 0.073 0.000 1.050 220 K CA 1.193 57.495 56.287 0.025 0.000 0.938 220 K CB -0.016 32.490 32.500 0.010 0.000 0.718 220 K HN 0.764 nan 8.250 nan 0.000 0.442 221 H N -1.109 117.904 119.070 -0.094 0.000 3.060 221 H HA 0.252 4.808 4.556 0.001 0.000 0.330 221 H C -1.847 173.379 175.328 -0.170 0.000 1.305 221 H CA -1.105 54.845 56.048 -0.163 0.000 1.209 221 H CB 0.938 30.575 29.762 -0.208 0.000 1.913 221 H HN 0.279 nan 8.280 nan 0.000 0.534 222 N N 0.941 119.189 118.700 -0.753 0.000 2.697 222 N HA 0.506 5.246 4.740 0.001 0.000 0.272 222 N C -1.854 173.172 175.510 -0.808 0.000 1.381 222 N CA -0.641 52.102 53.050 -0.512 0.000 0.797 222 N CB 1.664 40.011 38.487 -0.233 0.000 1.523 222 N HN 0.412 nan 8.380 nan 0.000 0.518 223 Y N -1.516 118.638 120.300 -0.243 0.000 2.597 223 Y HA 0.612 5.163 4.550 0.001 0.000 0.340 223 Y C -1.308 174.533 175.900 -0.099 0.000 1.097 223 Y CA -1.087 56.910 58.100 -0.171 0.000 1.037 223 Y CB 2.030 40.423 38.460 -0.111 0.000 1.305 223 Y HN 0.584 nan 8.280 nan 0.000 0.463 224 L N 2.396 123.684 121.223 0.108 0.000 2.427 224 L HA 0.623 4.963 4.340 0.001 0.000 0.264 224 L C -1.420 175.482 176.870 0.054 0.000 0.989 224 L CA -0.625 54.245 54.840 0.050 0.000 0.865 224 L CB 0.968 43.035 42.059 0.013 0.000 1.209 224 L HN 0.440 nan 8.230 nan 0.000 0.430 225 V N 6.650 126.586 119.914 0.035 0.000 2.540 225 V HA 0.063 4.183 4.120 0.001 0.000 0.297 225 V C 1.139 177.235 176.094 0.003 0.000 1.024 225 V CA 0.405 62.711 62.300 0.009 0.000 1.105 225 V CB 0.846 32.661 31.823 -0.014 0.000 0.938 225 V HN 0.808 nan 8.190 nan 0.000 0.482 226 M N 2.874 122.475 119.600 0.001 0.000 2.306 226 M HA 0.353 4.833 4.480 0.001 0.000 0.292 226 M C -0.010 176.281 176.300 -0.014 0.000 1.018 226 M CA 0.191 55.489 55.300 -0.003 0.000 1.007 226 M CB 0.033 32.635 32.600 0.003 0.000 1.510 226 M HN 0.790 nan 8.290 nan 0.000 0.537 227 D N -0.604 119.782 120.400 -0.024 0.000 2.891 227 D HA 0.164 4.804 4.640 0.001 0.000 0.224 227 D C 0.565 176.833 176.300 -0.053 0.000 1.321 227 D CA -0.175 53.804 54.000 -0.036 0.000 0.929 227 D CB 2.455 43.233 40.800 -0.036 0.000 1.551 227 D HN -0.186 nan 8.370 nan 0.000 0.574 228 V N 3.874 123.754 119.914 -0.057 0.000 2.660 228 V HA -0.150 3.971 4.120 0.001 0.000 0.257 228 V C 1.340 177.369 176.094 -0.108 0.000 1.088 228 V CA 1.837 64.092 62.300 -0.076 0.000 1.106 228 V CB -0.192 31.588 31.823 -0.071 0.000 0.686 228 V HN 0.605 nan 8.190 nan 0.000 0.481 229 E N -0.592 119.546 120.200 -0.104 0.000 2.482 229 E HA -0.072 4.278 4.350 0.001 0.000 0.196 229 E C 1.239 177.755 176.600 -0.140 0.000 1.047 229 E CA 0.609 56.929 56.400 -0.133 0.000 0.869 229 E CB -0.008 29.628 29.700 -0.107 0.000 0.836 229 E HN 0.700 nan 8.360 nan 0.000 0.520 230 D N 0.062 120.394 120.400 -0.112 0.000 2.360 230 D HA 0.100 4.740 4.640 0.001 0.000 0.210 230 D C 1.883 178.107 176.300 -0.127 0.000 1.047 230 D CA -0.093 53.843 54.000 -0.107 0.000 0.854 230 D CB 0.368 41.126 40.800 -0.070 0.000 0.936 230 D HN 0.194 nan 8.370 nan 0.000 0.514 231 I N 1.720 122.211 120.570 -0.132 0.000 2.127 231 I HA -0.223 3.948 4.170 0.001 0.000 0.241 231 I C -0.591 175.455 176.117 -0.118 0.000 1.075 231 I CA 1.401 62.632 61.300 -0.115 0.000 1.334 231 I CB -1.427 36.513 38.000 -0.099 0.000 1.040 231 I HN -0.013 nan 8.210 nan 0.000 0.405 232 P HA -0.204 nan 4.420 nan 0.000 0.214 232 P C 1.644 178.904 177.300 -0.067 0.000 1.163 232 P CA 1.568 64.567 63.100 -0.167 0.000 0.889 232 P CB -0.152 31.244 31.700 -0.508 0.000 0.790 233 R N -0.163 120.271 120.500 -0.110 0.000 2.073 233 R HA -0.107 4.234 4.340 0.001 0.000 0.234 233 R C 2.261 178.497 176.300 -0.108 0.000 1.134 233 R CA 1.559 57.611 56.100 -0.081 0.000 0.952 233 R CB -0.863 29.388 30.300 -0.081 0.000 0.850 233 R HN 0.127 nan 8.270 nan 0.000 0.433 234 I N 0.792 121.251 120.570 -0.184 0.000 2.226 234 I HA -0.286 3.884 4.170 0.001 0.000 0.245 234 I C 2.141 178.094 176.117 -0.274 0.000 1.100 234 I CA 0.781 61.846 61.300 -0.391 0.000 1.374 234 I CB -0.203 37.511 38.000 -0.476 0.000 1.057 234 I HN 0.236 nan 8.210 nan 0.000 0.413 235 I N 0.704 121.220 120.570 -0.091 0.000 2.226 235 I HA -0.288 3.882 4.170 0.001 0.000 0.245 235 I C 2.547 178.765 176.117 0.168 0.000 1.100 235 I CA 1.627 62.970 61.300 0.072 0.000 1.374 235 I CB -1.161 36.887 38.000 0.080 0.000 1.057 235 I HN 0.386 nan 8.210 nan 0.000 0.413 236 E N 0.885 121.131 120.200 0.077 0.000 2.110 236 E HA -0.229 4.121 4.350 0.001 0.000 0.193 236 E C 1.966 178.670 176.600 0.174 0.000 0.988 236 E CA 1.135 57.597 56.400 0.103 0.000 0.804 236 E CB 0.114 29.842 29.700 0.047 0.000 0.745 236 E HN 0.493 nan 8.360 nan 0.000 0.458 237 E N -0.264 119.996 120.200 0.100 0.000 2.152 237 E HA -0.130 4.220 4.350 0.001 0.000 0.192 237 E C 1.912 178.658 176.600 0.244 0.000 0.983 237 E CA 0.651 57.148 56.400 0.163 0.000 0.818 237 E CB 0.020 29.777 29.700 0.096 0.000 0.758 237 E HN 0.311 nan 8.360 nan 0.000 0.467 238 A N 0.668 123.593 122.820 0.174 0.000 1.872 238 A HA -0.133 4.187 4.320 0.001 0.000 0.214 238 A C 1.814 179.466 177.584 0.114 0.000 1.187 238 A CA 0.952 53.095 52.037 0.176 0.000 0.614 238 A CB -0.661 18.391 19.000 0.087 0.000 0.826 238 A HN 0.154 nan 8.150 nan 0.000 0.442 239 F N -1.316 118.687 119.950 0.089 0.000 2.171 239 F HA -0.087 4.440 4.527 0.001 0.000 0.300 239 F C 1.988 177.856 175.800 0.114 0.000 1.090 239 F CA 1.404 59.456 58.000 0.087 0.000 1.293 239 F CB -0.641 38.404 39.000 0.075 0.000 1.013 239 F HN 0.351 nan 8.300 nan 0.000 0.486 240 F N 0.684 120.749 119.950 0.191 0.000 2.051 240 F HA -0.209 4.319 4.527 0.001 0.000 0.296 240 F C 2.091 177.925 175.800 0.056 0.000 1.122 240 F CA 1.659 59.730 58.000 0.118 0.000 1.201 240 F CB -0.819 38.237 39.000 0.092 0.000 0.978 240 F HN -0.155 nan 8.300 nan 0.000 0.472 241 L N 0.022 121.198 121.223 -0.079 0.000 2.042 241 L HA -0.236 4.105 4.340 0.001 0.000 0.210 241 L C 2.744 179.502 176.870 -0.187 0.000 1.076 241 L CA 1.275 55.936 54.840 -0.297 0.000 0.749 241 L CB -1.219 40.721 42.059 -0.198 0.000 0.893 241 L HN 0.293 nan 8.230 nan 0.000 0.432 242 A N -0.287 122.471 122.820 -0.103 0.000 1.972 242 A HA -0.181 4.139 4.320 0.001 0.000 0.219 242 A C 2.299 179.836 177.584 -0.079 0.000 1.169 242 A CA 2.166 54.147 52.037 -0.095 0.000 0.635 242 A CB -0.659 18.251 19.000 -0.149 0.000 0.810 242 A HN 0.536 nan 8.150 nan 0.000 0.446 243 T N -3.045 111.458 114.554 -0.084 0.000 3.001 243 T HA 0.230 4.580 4.350 0.001 0.000 0.251 243 T C 0.965 175.605 174.700 -0.101 0.000 1.040 243 T CA 0.587 62.655 62.100 -0.053 0.000 0.985 243 T CB -0.389 68.491 68.868 0.020 0.000 1.011 243 T HN 0.511 nan 8.240 nan 0.000 0.509 244 S N 0.225 115.789 115.700 -0.227 0.000 2.713 244 S HA 0.701 5.171 4.470 0.001 0.000 0.277 244 S C 1.389 175.940 174.600 -0.082 0.000 1.168 244 S CA -0.174 57.878 58.200 -0.246 0.000 0.994 244 S CB 0.540 63.339 63.200 -0.668 0.000 1.054 244 S HN 0.949 nan 8.310 nan 0.000 0.555 245 G N 1.365 110.128 108.800 -0.060 0.000 2.698 245 G HA2 -0.361 3.599 3.960 0.001 0.000 0.337 245 G HA3 -0.361 3.599 3.960 0.001 0.000 0.337 245 G C 0.034 174.921 174.900 -0.021 0.000 1.286 245 G CA 0.786 45.863 45.100 -0.039 0.000 1.000 245 G HN 1.035 nan 8.290 nan 0.000 0.547 246 R N 1.997 122.500 120.500 0.004 0.000 2.235 246 R HA 0.457 4.797 4.340 0.001 0.000 0.338 246 R C -2.303 173.999 176.300 0.003 0.000 1.087 246 R CA -1.612 54.488 56.100 0.000 0.000 0.948 246 R CB 0.628 30.931 30.300 0.005 0.000 1.099 246 R HN 0.244 nan 8.270 nan 0.000 0.483 247 P HA -0.022 nan 4.420 nan 0.000 0.264 247 P C -0.507 176.785 177.300 -0.013 0.000 1.173 247 P CA 0.396 63.486 63.100 -0.017 0.000 0.761 247 P CB 0.776 32.469 31.700 -0.012 0.000 0.794 248 G N 2.005 110.792 108.800 -0.022 0.000 2.576 248 G HA2 0.515 4.476 3.960 0.001 0.000 0.290 248 G HA3 0.515 4.476 3.960 0.001 0.000 0.290 248 G C -3.340 171.544 174.900 -0.026 0.000 1.442 248 G CA -1.056 44.034 45.100 -0.017 0.000 0.792 248 G HN 0.249 nan 8.290 nan 0.000 0.491 249 P HA 0.462 nan 4.420 nan 0.000 0.279 249 P C -0.739 176.547 177.300 -0.024 0.000 1.239 249 P CA -0.318 62.767 63.100 -0.026 0.000 0.789 249 P CB 1.994 33.687 31.700 -0.011 0.000 0.933 250 V N 5.024 124.916 119.914 -0.037 0.000 2.482 250 V HA 0.287 4.408 4.120 0.001 0.000 0.295 250 V C 0.216 176.307 176.094 -0.004 0.000 1.026 250 V CA -0.726 61.572 62.300 -0.003 0.000 0.856 250 V CB 1.724 33.567 31.823 0.032 0.000 1.001 250 V HN 0.496 nan 8.190 nan 0.000 0.424 251 L N 5.978 127.201 121.223 -0.000 0.000 2.307 251 L HA 0.748 5.089 4.340 0.001 0.000 0.282 251 L C -0.878 176.025 176.870 0.054 0.000 1.051 251 L CA -0.308 54.535 54.840 0.005 0.000 0.804 251 L CB 1.617 43.664 42.059 -0.020 0.000 1.197 251 L HN 0.454 nan 8.230 nan 0.000 0.431 252 V N 4.124 124.069 119.914 0.052 0.000 2.350 252 V HA 0.272 4.392 4.120 0.001 0.000 0.285 252 V C -0.661 175.455 176.094 0.036 0.000 1.014 252 V CA -0.596 61.746 62.300 0.071 0.000 0.831 252 V CB 1.412 33.260 31.823 0.042 0.000 1.000 252 V HN 0.676 nan 8.190 nan 0.000 0.433 253 D N 3.749 124.170 120.400 0.035 0.000 2.277 253 D HA 0.451 5.091 4.640 0.001 0.000 0.249 253 D C -0.582 175.726 176.300 0.014 0.000 1.134 253 D CA 0.123 54.132 54.000 0.014 0.000 0.863 253 D CB 1.704 42.506 40.800 0.003 0.000 1.143 253 D HN 0.292 nan 8.370 nan 0.000 0.458 254 V N 5.952 125.870 119.914 0.007 0.000 2.325 254 V HA 0.335 4.455 4.120 0.001 0.000 0.280 254 V C -2.179 173.916 176.094 0.002 0.000 1.016 254 V CA -1.805 60.497 62.300 0.003 0.000 0.818 254 V CB 1.401 33.226 31.823 0.004 0.000 1.019 254 V HN 0.501 nan 8.190 nan 0.000 0.434 255 P HA 0.071 nan 4.420 nan 0.000 0.267 255 P C 0.856 178.157 177.300 0.001 0.000 1.200 255 P CA 0.044 63.143 63.100 -0.002 0.000 0.772 255 P CB 0.990 32.688 31.700 -0.003 0.000 0.855 256 K N 2.790 123.193 120.400 0.004 0.000 2.032 256 K HA -0.214 4.106 4.320 0.001 0.000 0.209 256 K C 1.421 178.025 176.600 0.007 0.000 1.048 256 K CA 2.030 58.322 56.287 0.010 0.000 0.927 256 K CB -0.410 32.099 32.500 0.015 0.000 0.712 256 K HN 0.556 nan 8.250 nan 0.000 0.441 257 D N 0.677 121.079 120.400 0.004 0.000 2.221 257 D HA -0.215 4.426 4.640 0.001 0.000 0.204 257 D C 1.935 178.231 176.300 -0.006 0.000 0.982 257 D CA 1.112 55.112 54.000 0.001 0.000 0.857 257 D CB -0.392 40.408 40.800 0.000 0.000 0.934 257 D HN 0.380 nan 8.370 nan 0.000 0.475 258 I N 0.299 120.864 120.570 -0.009 0.000 2.439 258 I HA -0.225 3.945 4.170 0.001 0.000 0.251 258 I C 2.523 178.629 176.117 -0.019 0.000 1.139 258 I CA 0.801 62.091 61.300 -0.018 0.000 1.438 258 I CB -0.147 37.841 38.000 -0.020 0.000 1.085 258 I HN -0.056 nan 8.210 nan 0.000 0.427 259 Q N 0.105 119.900 119.800 -0.010 0.000 2.226 259 Q HA -0.245 4.095 4.340 0.001 0.000 0.204 259 Q C 2.044 178.039 176.000 -0.007 0.000 0.975 259 Q CA 1.300 57.100 55.803 -0.006 0.000 0.866 259 Q CB -0.009 28.734 28.738 0.008 0.000 0.915 259 Q HN 0.607 nan 8.270 nan 0.000 0.440 260 Q N 0.185 119.982 119.800 -0.005 0.000 2.204 260 Q HA -0.014 4.327 4.340 0.001 0.000 0.198 260 Q C 0.422 176.414 176.000 -0.013 0.000 0.946 260 Q CA -0.043 55.758 55.803 -0.004 0.000 0.859 260 Q CB 0.227 28.966 28.738 0.003 0.000 0.946 260 Q HN 0.301 nan 8.270 nan 0.000 0.474 261 Q N 1.469 121.258 119.800 -0.019 0.000 2.304 261 Q HA -0.022 4.319 4.340 0.001 0.000 0.315 261 Q C -0.901 175.076 176.000 -0.039 0.000 1.075 261 Q CA 0.062 55.849 55.803 -0.027 0.000 0.988 261 Q CB 0.383 29.103 28.738 -0.031 0.000 1.146 261 Q HN 0.206 nan 8.270 nan 0.000 0.383 262 L N 2.965 124.166 121.223 -0.036 0.000 2.418 262 L HA 0.728 5.069 4.340 0.001 0.000 0.265 262 L C -0.019 176.815 176.870 -0.060 0.000 1.143 262 L CA -0.287 54.525 54.840 -0.046 0.000 0.809 262 L CB 1.221 43.264 42.059 -0.027 0.000 1.124 262 L HN 0.849 nan 8.230 nan 0.000 0.456 263 A N 2.659 125.430 122.820 -0.080 0.000 2.515 263 A HA 0.658 4.978 4.320 0.001 0.000 0.292 263 A C -1.486 176.034 177.584 -0.107 0.000 1.065 263 A CA -0.581 51.402 52.037 -0.090 0.000 0.641 263 A CB 0.848 19.786 19.000 -0.104 0.000 1.306 263 A HN 0.532 nan 8.150 nan 0.000 0.441 264 I N 2.372 122.877 120.570 -0.108 0.000 2.390 264 I HA 0.360 4.530 4.170 0.001 0.000 0.283 264 I C -2.101 173.903 176.117 -0.189 0.000 1.016 264 I CA -1.771 59.464 61.300 -0.108 0.000 1.151 264 I CB 1.801 39.765 38.000 -0.060 0.000 1.293 264 I HN 0.458 nan 8.210 nan 0.000 0.458 265 P HA 0.019 nan 4.420 nan 0.000 0.269 265 P C -1.009 175.887 177.300 -0.672 0.000 1.209 265 P CA -0.178 62.559 63.100 -0.605 0.000 0.776 265 P CB 0.901 32.050 31.700 -0.918 0.000 0.876 266 N N 1.947 120.239 118.700 -0.680 0.000 2.511 266 N HA 0.173 4.913 4.740 0.001 0.000 0.249 266 N C -0.344 174.875 175.510 -0.485 0.000 0.971 266 N CA -0.706 52.083 53.050 -0.435 0.000 0.938 266 N CB 0.453 38.798 38.487 -0.236 0.000 1.131 266 N HN 0.387 nan 8.380 nan 0.000 0.505 267 W N 2.120 123.403 121.300 -0.028 0.000 3.438 267 W HA 0.232 4.892 4.660 0.001 0.000 0.322 267 W C 0.826 177.324 176.519 -0.036 0.000 1.261 267 W CA -0.489 56.833 57.345 -0.039 0.000 1.788 267 W CB 0.525 29.965 29.460 -0.032 0.000 1.065 267 W HN 0.464 nan 8.180 nan 0.000 0.715 268 E N -0.080 120.169 120.200 0.082 0.000 2.562 268 E HA 0.055 4.406 4.350 0.001 0.000 0.214 268 E C 0.433 177.037 176.600 0.006 0.000 0.979 268 E CA 0.157 56.589 56.400 0.053 0.000 1.002 268 E CB -0.046 29.679 29.700 0.043 0.000 1.048 268 E HN 0.438 nan 8.360 nan 0.000 0.488 269 Q N 0.820 120.605 119.800 -0.025 0.000 2.386 269 Q HA 0.268 4.609 4.340 0.001 0.000 0.282 269 Q C 0.064 176.047 176.000 -0.028 0.000 1.050 269 Q CA 0.168 55.947 55.803 -0.040 0.000 0.918 269 Q CB 0.599 29.294 28.738 -0.071 0.000 1.266 269 Q HN 0.028 nan 8.270 nan 0.000 0.423 270 A N 2.854 125.656 122.820 -0.030 0.000 2.302 270 A HA 0.480 4.801 4.320 0.001 0.000 0.285 270 A C -0.135 177.427 177.584 -0.037 0.000 1.105 270 A CA -0.630 51.386 52.037 -0.034 0.000 0.816 270 A CB 0.534 19.516 19.000 -0.029 0.000 1.067 270 A HN 0.746 nan 8.150 nan 0.000 0.489 271 M N 1.123 120.690 119.600 -0.056 0.000 2.233 271 M HA 0.233 4.713 4.480 0.001 0.000 0.350 271 M C 0.317 176.607 176.300 -0.016 0.000 1.176 271 M CA 0.437 55.709 55.300 -0.046 0.000 1.150 271 M CB 0.684 33.220 32.600 -0.107 0.000 1.530 271 M HN 0.605 nan 8.290 nan 0.000 0.459 272 R N 3.632 124.146 120.500 0.023 0.000 3.436 272 R HA 0.362 4.702 4.340 0.001 0.000 0.247 272 R C -0.782 175.557 176.300 0.065 0.000 1.434 272 R CA -0.040 56.086 56.100 0.042 0.000 1.543 272 R CB -0.157 30.177 30.300 0.058 0.000 1.289 272 R HN 0.636 nan 8.270 nan 0.000 0.664 273 L N 1.647 122.906 121.223 0.061 0.000 2.913 273 L HA 0.279 4.619 4.340 0.001 0.000 0.283 273 L C -1.939 175.004 176.870 0.122 0.000 1.336 273 L CA -1.419 53.486 54.840 0.108 0.000 0.815 273 L CB 1.275 43.431 42.059 0.162 0.000 1.188 273 L HN 0.128 nan 8.230 nan 0.000 0.551 274 P HA -0.155 nan 4.420 nan 0.000 0.214 274 P C 1.754 179.095 177.300 0.069 0.000 1.163 274 P CA 1.523 64.658 63.100 0.058 0.000 0.883 274 P CB 0.288 32.011 31.700 0.038 0.000 0.788 275 G N -1.426 107.417 108.800 0.073 0.000 2.433 275 G HA2 -0.315 3.645 3.960 0.001 0.000 0.216 275 G HA3 -0.315 3.645 3.960 0.001 0.000 0.216 275 G C 1.605 176.562 174.900 0.094 0.000 1.186 275 G CA 0.740 45.879 45.100 0.065 0.000 0.779 275 G HN 0.211 nan 8.290 nan 0.000 0.543 276 Y N 0.975 121.283 120.300 0.012 0.000 2.128 276 Y HA -0.162 4.388 4.550 0.001 0.000 0.284 276 Y C 2.918 178.859 175.900 0.069 0.000 1.154 276 Y CA 1.964 60.085 58.100 0.034 0.000 1.149 276 Y CB -0.070 38.429 38.460 0.065 0.000 0.976 276 Y HN 0.070 nan 8.280 nan 0.000 0.505 277 M N -0.881 118.823 119.600 0.173 0.000 2.202 277 M HA -0.180 4.301 4.480 0.001 0.000 0.262 277 M C 1.978 178.270 176.300 -0.012 0.000 1.063 277 M CA 1.434 56.785 55.300 0.086 0.000 1.097 277 M CB -1.377 31.289 32.600 0.109 0.000 1.382 277 M HN 0.156 nan 8.290 nan 0.000 0.413 278 S N -0.152 115.543 115.700 -0.007 0.000 2.650 278 S HA 0.110 4.580 4.470 0.001 0.000 0.219 278 S C 1.497 176.061 174.600 -0.059 0.000 0.960 278 S CA 0.281 58.466 58.200 -0.024 0.000 0.925 278 S CB -0.043 63.154 63.200 -0.005 0.000 0.775 278 S HN 0.423 nan 8.310 nan 0.000 0.525 279 R N -0.361 120.068 120.500 -0.118 0.000 2.509 279 R HA 0.305 4.645 4.340 0.001 0.000 0.297 279 R C -0.185 175.989 176.300 -0.210 0.000 0.951 279 R CA -0.194 55.816 56.100 -0.150 0.000 1.103 279 R CB 0.190 30.398 30.300 -0.153 0.000 1.283 279 R HN 0.264 nan 8.270 nan 0.000 0.534 280 M N 2.723 122.187 119.600 -0.227 0.000 2.251 280 M HA 0.182 4.662 4.480 0.001 0.000 0.346 280 M C -2.252 173.974 176.300 -0.122 0.000 1.499 280 M CA -2.121 53.052 55.300 -0.211 0.000 1.128 280 M CB 0.492 33.004 32.600 -0.146 0.000 1.809 280 M HN -0.229 nan 8.290 nan 0.000 0.464 281 P HA 0.205 nan 4.420 nan 0.000 0.265 281 P C -0.968 176.292 177.300 -0.066 0.000 1.187 281 P CA 0.200 63.245 63.100 -0.092 0.000 0.766 281 P CB 0.213 31.852 31.700 -0.101 0.000 0.820 282 K N 3.873 124.240 120.400 -0.055 0.000 2.087 282 K HA 0.457 4.777 4.320 0.001 0.000 0.255 282 K C -2.254 174.324 176.600 -0.037 0.000 0.988 282 K CA -1.841 54.424 56.287 -0.036 0.000 0.915 282 K CB -1.087 31.398 32.500 -0.025 0.000 1.043 282 K HN 0.500 nan 8.250 nan 0.000 0.457 283 P HA 0.078 nan 4.420 nan 0.000 0.263 283 P C -2.388 174.899 177.300 -0.023 0.000 1.175 283 P CA -0.638 62.448 63.100 -0.023 0.000 0.761 283 P CB -0.654 31.041 31.700 -0.009 0.000 0.794 284 P HA 0.059 nan 4.420 nan 0.000 0.265 284 P C -0.088 177.225 177.300 0.021 0.000 1.187 284 P CA 0.517 63.602 63.100 -0.025 0.000 0.766 284 P CB 0.378 32.050 31.700 -0.047 0.000 0.820 285 E N 1.589 121.834 120.200 0.075 0.000 2.313 285 E HA 0.045 4.395 4.350 0.001 0.000 0.272 285 E C 0.539 177.196 176.600 0.094 0.000 1.038 285 E CA -0.486 55.976 56.400 0.102 0.000 0.863 285 E CB 0.640 30.448 29.700 0.180 0.000 1.060 285 E HN 0.444 nan 8.360 nan 0.000 0.402 286 D N 1.283 121.714 120.400 0.052 0.000 2.144 286 D HA -0.162 4.478 4.640 0.001 0.000 0.199 286 D C 1.957 178.272 176.300 0.025 0.000 0.984 286 D CA 1.516 55.539 54.000 0.038 0.000 0.834 286 D CB -0.079 40.735 40.800 0.024 0.000 0.955 286 D HN 0.413 nan 8.370 nan 0.000 0.465 287 S N 0.459 116.150 115.700 -0.014 0.000 2.383 287 S HA -0.212 4.258 4.470 0.001 0.000 0.229 287 S C 1.829 176.355 174.600 -0.123 0.000 1.030 287 S CA 0.982 59.125 58.200 -0.094 0.000 1.002 287 S CB -0.561 62.531 63.200 -0.179 0.000 0.829 287 S HN 0.362 nan 8.310 nan 0.000 0.467 288 H N 1.209 120.287 119.070 0.014 0.000 2.403 288 H HA 0.258 4.814 4.556 0.001 0.000 0.298 288 H C 2.215 177.558 175.328 0.026 0.000 1.059 288 H CA 1.265 57.324 56.048 0.017 0.000 1.363 288 H CB -0.224 29.540 29.762 0.004 0.000 1.410 288 H HN 0.367 nan 8.280 nan 0.000 0.528 289 L N 0.644 121.950 121.223 0.138 0.000 2.056 289 L HA -0.129 4.211 4.340 0.001 0.000 0.207 289 L C 2.265 179.193 176.870 0.096 0.000 1.078 289 L CA 1.189 56.086 54.840 0.096 0.000 0.749 289 L CB -0.279 41.820 42.059 0.066 0.000 0.901 289 L HN 0.257 nan 8.230 nan 0.000 0.433 290 E N -0.315 119.927 120.200 0.071 0.000 2.274 290 E HA -0.248 4.102 4.350 0.001 0.000 0.194 290 E C 2.039 178.678 176.600 0.064 0.000 0.996 290 E CA 0.541 56.978 56.400 0.063 0.000 0.840 290 E CB -0.002 29.721 29.700 0.038 0.000 0.772 290 E HN 0.500 nan 8.360 nan 0.000 0.491 291 Q N 0.843 120.679 119.800 0.061 0.000 2.167 291 Q HA -0.148 4.192 4.340 0.001 0.000 0.202 291 Q C 2.041 178.096 176.000 0.093 0.000 0.970 291 Q CA 0.894 56.734 55.803 0.062 0.000 0.855 291 Q CB 0.104 28.875 28.738 0.056 0.000 0.911 291 Q HN 0.311 nan 8.270 nan 0.000 0.438 292 I N -0.409 120.234 120.570 0.122 0.000 2.206 292 I HA -0.218 3.952 4.170 0.001 0.000 0.239 292 I C 2.203 178.415 176.117 0.158 0.000 1.078 292 I CA 0.604 61.998 61.300 0.156 0.000 1.367 292 I CB -0.314 37.803 38.000 0.195 0.000 1.078 292 I HN 0.021 nan 8.210 nan 0.000 0.413 293 V N 1.181 121.190 119.914 0.159 0.000 2.370 293 V HA -0.340 3.781 4.120 0.001 0.000 0.252 293 V C 2.636 178.793 176.094 0.104 0.000 1.068 293 V CA 2.025 64.412 62.300 0.145 0.000 1.061 293 V CB -0.970 30.925 31.823 0.119 0.000 0.656 293 V HN 0.424 nan 8.190 nan 0.000 0.455 294 R N -0.289 120.261 120.500 0.083 0.000 2.073 294 R HA -0.115 4.226 4.340 0.001 0.000 0.234 294 R C 2.327 178.664 176.300 0.061 0.000 1.134 294 R CA 1.606 57.742 56.100 0.059 0.000 0.952 294 R CB -0.287 30.041 30.300 0.046 0.000 0.850 294 R HN 0.451 nan 8.270 nan 0.000 0.433 295 L N 0.580 121.845 121.223 0.069 0.000 2.191 295 L HA -0.181 4.159 4.340 0.001 0.000 0.212 295 L C 2.329 179.237 176.870 0.063 0.000 1.103 295 L CA 0.979 55.850 54.840 0.052 0.000 0.769 295 L CB -0.222 41.868 42.059 0.051 0.000 0.908 295 L HN 0.300 nan 8.230 nan 0.000 0.438 296 I N -0.633 120.001 120.570 0.107 0.000 2.163 296 I HA -0.270 3.900 4.170 0.001 0.000 0.240 296 I C 2.708 178.952 176.117 0.211 0.000 1.081 296 I CA 1.575 62.971 61.300 0.159 0.000 1.353 296 I CB -0.349 37.766 38.000 0.191 0.000 1.054 296 I HN 0.329 nan 8.210 nan 0.000 0.407 297 S N 0.228 116.004 115.700 0.126 0.000 2.419 297 S HA -0.171 4.299 4.470 0.001 0.000 0.233 297 S C 1.617 176.251 174.600 0.057 0.000 1.016 297 S CA 1.044 59.286 58.200 0.070 0.000 0.974 297 S CB -0.473 62.743 63.200 0.026 0.000 0.786 297 S HN 0.509 nan 8.310 nan 0.000 0.492 298 E N 1.660 121.893 120.200 0.055 0.000 2.478 298 E HA 0.082 4.432 4.350 0.001 0.000 0.194 298 E C 0.575 177.188 176.600 0.021 0.000 1.045 298 E CA 0.324 56.739 56.400 0.026 0.000 0.868 298 E CB 0.263 29.968 29.700 0.009 0.000 0.885 298 E HN 0.712 nan 8.360 nan 0.000 0.505 299 S N -0.523 115.214 115.700 0.061 0.000 2.616 299 S HA 0.528 4.998 4.470 0.001 0.000 0.277 299 S C 0.657 175.325 174.600 0.114 0.000 1.234 299 S CA -0.238 57.967 58.200 0.008 0.000 1.028 299 S CB 1.853 65.004 63.200 -0.082 0.000 0.988 299 S HN 0.082 nan 8.310 nan 0.000 0.522 300 K N 0.670 121.035 120.400 -0.060 0.000 2.435 300 K HA 0.373 4.693 4.320 0.001 0.000 0.199 300 K C 0.595 177.004 176.600 -0.319 0.000 1.153 300 K CA 0.183 56.459 56.287 -0.019 0.000 0.974 300 K CB -0.151 32.307 32.500 -0.070 0.000 0.997 300 K HN 0.733 nan 8.250 nan 0.000 0.547 301 K N 2.251 122.206 120.400 -0.742 0.000 2.954 301 K HA 0.230 4.550 4.320 0.001 0.000 0.171 301 K C -3.024 172.887 176.600 -1.149 0.000 1.079 301 K CA -1.704 53.545 56.287 -1.730 0.000 0.908 301 K CB 2.036 33.276 32.500 -2.101 0.000 1.142 301 K HN 0.192 nan 8.250 nan 0.000 0.613 302 P HA 0.164 nan 4.420 nan 0.000 0.286 302 P C -0.438 176.760 177.300 -0.171 0.000 1.269 302 P CA -0.358 62.441 63.100 -0.501 0.000 0.787 302 P CB 1.651 32.912 31.700 -0.731 0.000 0.920 303 V N 5.085 124.936 119.914 -0.105 0.000 2.577 303 V HA 0.278 4.399 4.120 0.001 0.000 0.303 303 V C 0.430 176.467 176.094 -0.094 0.000 1.042 303 V CA -0.809 61.480 62.300 -0.018 0.000 0.872 303 V CB 2.009 33.852 31.823 0.032 0.000 0.998 303 V HN 0.442 nan 8.190 nan 0.000 0.423 304 L N 4.673 125.838 121.223 -0.096 0.000 2.331 304 L HA 0.358 4.698 4.340 0.001 0.000 0.278 304 L C -0.786 176.048 176.870 -0.061 0.000 1.106 304 L CA -0.370 54.375 54.840 -0.159 0.000 0.824 304 L CB 0.571 42.543 42.059 -0.145 0.000 1.142 304 L HN 0.713 nan 8.230 nan 0.000 0.443 305 Y N 5.025 125.166 120.300 -0.265 0.000 2.919 305 Y HA 0.414 4.964 4.550 0.001 0.000 0.341 305 Y C -0.699 175.102 175.900 -0.165 0.000 1.045 305 Y CA -1.221 56.764 58.100 -0.192 0.000 1.218 305 Y CB 0.445 38.782 38.460 -0.204 0.000 1.137 305 Y HN 0.173 nan 8.280 nan 0.000 0.577 306 V N 4.721 124.607 119.914 -0.046 0.000 2.498 306 V HA 0.729 4.849 4.120 0.001 0.000 0.279 306 V C 0.712 176.742 176.094 -0.107 0.000 1.048 306 V CA 0.236 62.489 62.300 -0.079 0.000 0.967 306 V CB 0.960 32.793 31.823 0.016 0.000 0.988 306 V HN 0.840 nan 8.190 nan 0.000 0.473 307 G N 2.414 111.134 108.800 -0.134 0.000 3.042 307 G HA2 0.524 4.484 3.960 0.001 0.000 0.278 307 G HA3 0.524 4.484 3.960 0.001 0.000 0.278 307 G C 0.837 175.720 174.900 -0.028 0.000 1.371 307 G CA -0.136 44.898 45.100 -0.111 0.000 1.009 307 G HN 0.905 nan 8.290 nan 0.000 0.523 308 G N -0.893 107.900 108.800 -0.012 0.000 2.653 308 G HA2 0.199 4.160 3.960 0.001 0.000 0.212 308 G HA3 0.199 4.160 3.960 0.001 0.000 0.212 308 G C 1.312 176.217 174.900 0.007 0.000 1.138 308 G CA 1.196 46.305 45.100 0.013 0.000 0.782 308 G HN 0.964 nan 8.290 nan 0.000 0.535 309 G N -0.692 108.106 108.800 -0.003 0.000 2.712 309 G HA2 -0.022 3.938 3.960 0.001 0.000 0.212 309 G HA3 -0.022 3.938 3.960 0.001 0.000 0.212 309 G C 1.127 176.031 174.900 0.005 0.000 1.142 309 G CA 0.907 46.007 45.100 -0.001 0.000 0.789 309 G HN 0.440 nan 8.290 nan 0.000 0.535 310 C N 0.778 120.091 119.300 0.021 0.000 2.855 310 C HA 0.374 4.834 4.460 0.001 0.000 0.279 310 C C 2.314 177.331 174.990 0.045 0.000 1.270 310 C CA -0.615 58.424 59.018 0.034 0.000 1.702 310 C CB -1.027 26.750 27.740 0.062 0.000 1.949 310 C HN 0.383 nan 8.230 nan 0.000 0.618 311 L N 1.285 122.532 121.223 0.040 0.000 2.349 311 L HA -0.151 4.190 4.340 0.001 0.000 0.220 311 L C 1.538 178.436 176.870 0.047 0.000 1.130 311 L CA 1.499 56.368 54.840 0.050 0.000 0.791 311 L CB -0.559 41.526 42.059 0.043 0.000 0.918 311 L HN 0.596 nan 8.230 nan 0.000 0.444 312 N N -1.649 117.072 118.700 0.035 0.000 2.187 312 N HA 0.058 4.798 4.740 0.001 0.000 0.212 312 N C 0.541 176.071 175.510 0.033 0.000 1.152 312 N CA -0.206 52.863 53.050 0.033 0.000 0.872 312 N CB 0.685 39.185 38.487 0.022 0.000 1.025 312 N HN 0.018 nan 8.380 nan 0.000 0.514 313 S N -0.739 114.985 115.700 0.040 0.000 2.664 313 S HA 0.076 4.546 4.470 0.001 0.000 0.245 313 S C 1.382 176.026 174.600 0.074 0.000 1.019 313 S CA -0.372 57.852 58.200 0.041 0.000 0.996 313 S CB 0.556 63.764 63.200 0.014 0.000 0.878 313 S HN 0.199 nan 8.310 nan 0.000 0.493 314 S N 2.884 118.634 115.700 0.084 0.000 2.378 314 S HA -0.245 4.226 4.470 0.001 0.000 0.229 314 S C 1.501 176.175 174.600 0.123 0.000 1.052 314 S CA 2.031 60.298 58.200 0.110 0.000 1.084 314 S CB -0.269 62.989 63.200 0.096 0.000 0.950 314 S HN 0.528 nan 8.310 nan 0.000 0.440 315 D N 0.557 121.016 120.400 0.099 0.000 2.077 315 D HA -0.054 4.586 4.640 0.001 0.000 0.196 315 D C 2.097 178.468 176.300 0.119 0.000 0.986 315 D CA 1.389 55.451 54.000 0.103 0.000 0.829 315 D CB -0.772 40.075 40.800 0.079 0.000 0.983 315 D HN 0.456 nan 8.370 nan 0.000 0.453 316 E N 0.711 120.970 120.200 0.098 0.000 2.114 316 E HA -0.175 4.176 4.350 0.001 0.000 0.199 316 E C 2.007 178.699 176.600 0.153 0.000 1.008 316 E CA 0.391 56.852 56.400 0.103 0.000 0.810 316 E CB -0.407 29.322 29.700 0.049 0.000 0.739 316 E HN 0.152 nan 8.360 nan 0.000 0.456 317 L N 0.068 121.379 121.223 0.145 0.000 2.056 317 L HA -0.010 4.331 4.340 0.001 0.000 0.207 317 L C 2.071 179.104 176.870 0.272 0.000 1.078 317 L CA 2.229 57.185 54.840 0.192 0.000 0.749 317 L CB -0.876 41.287 42.059 0.173 0.000 0.901 317 L HN 0.183 nan 8.230 nan 0.000 0.433 318 G N -0.891 108.066 108.800 0.262 0.000 2.404 318 G HA2 -0.334 3.626 3.960 0.001 0.000 0.215 318 G HA3 -0.334 3.626 3.960 0.001 0.000 0.215 318 G C 1.708 176.754 174.900 0.243 0.000 1.174 318 G CA 0.776 46.053 45.100 0.295 0.000 0.780 318 G HN 0.368 nan 8.290 nan 0.000 0.537 319 R N 0.129 120.753 120.500 0.206 0.000 2.105 319 R HA -0.069 4.272 4.340 0.001 0.000 0.239 319 R C 2.101 178.519 176.300 0.196 0.000 1.135 319 R CA 1.338 57.542 56.100 0.173 0.000 0.967 319 R CB -1.110 29.281 30.300 0.151 0.000 0.861 319 R HN 0.327 nan 8.270 nan 0.000 0.442 320 F N -0.054 119.953 119.950 0.095 0.000 2.095 320 F HA -0.162 4.365 4.527 0.001 0.000 0.298 320 F C 1.917 177.768 175.800 0.085 0.000 1.104 320 F CA 1.809 59.867 58.000 0.096 0.000 1.232 320 F CB -0.348 38.724 39.000 0.120 0.000 0.987 320 F HN -0.099 nan 8.300 nan 0.000 0.475 321 V N 1.045 121.062 119.914 0.171 0.000 2.358 321 V HA -0.280 3.841 4.120 0.001 0.000 0.246 321 V C 1.972 178.083 176.094 0.028 0.000 1.047 321 V CA 2.009 64.332 62.300 0.038 0.000 1.035 321 V CB -1.214 30.599 31.823 -0.016 0.000 0.658 321 V HN 0.523 nan 8.190 nan 0.000 0.452 322 E N 0.073 120.320 120.200 0.078 0.000 2.485 322 E HA -0.005 4.345 4.350 0.001 0.000 0.194 322 E C 1.441 178.051 176.600 0.017 0.000 1.098 322 E CA 0.595 57.034 56.400 0.065 0.000 0.878 322 E CB -0.124 29.630 29.700 0.090 0.000 0.939 322 E HN 0.585 nan 8.360 nan 0.000 0.503 323 L N -0.104 121.093 121.223 -0.042 0.000 2.993 323 L HA 0.139 4.479 4.340 0.001 0.000 0.264 323 L C 1.629 178.423 176.870 -0.127 0.000 1.154 323 L CA 0.854 55.646 54.840 -0.081 0.000 0.972 323 L CB 0.835 42.836 42.059 -0.096 0.000 1.373 323 L HN 0.309 nan 8.230 nan 0.000 0.564 324 T N -5.609 108.860 114.554 -0.142 0.000 2.966 324 T HA 0.187 4.538 4.350 0.001 0.000 0.254 324 T C 1.363 176.161 174.700 0.164 0.000 0.961 324 T CA 0.608 62.684 62.100 -0.040 0.000 0.915 324 T CB 0.844 69.589 68.868 -0.205 0.000 1.186 324 T HN 0.175 nan 8.240 nan 0.000 0.505 325 G N 2.151 111.002 108.800 0.086 0.000 2.249 325 G HA2 -0.210 3.751 3.960 0.001 0.000 0.273 325 G HA3 -0.210 3.751 3.960 0.001 0.000 0.273 325 G C -0.042 174.969 174.900 0.186 0.000 1.036 325 G CA 0.342 45.527 45.100 0.142 0.000 0.824 325 G HN 0.732 nan 8.290 nan 0.000 0.504 326 I N 2.044 122.659 120.570 0.076 0.000 2.342 326 I HA 0.250 4.420 4.170 0.001 0.000 0.291 326 I C -1.375 174.716 176.117 -0.044 0.000 1.010 326 I CA -2.387 58.903 61.300 -0.017 0.000 1.308 326 I CB 1.330 39.283 38.000 -0.080 0.000 1.400 326 I HN -0.035 nan 8.210 nan 0.000 0.488 327 P HA 0.023 nan 4.420 nan 0.000 0.267 327 P C -0.667 176.581 177.300 -0.087 0.000 1.205 327 P CA 0.046 63.108 63.100 -0.062 0.000 0.765 327 P CB 0.898 32.544 31.700 -0.090 0.000 0.828 328 V N 3.522 123.357 119.914 -0.133 0.000 2.370 328 V HA 0.575 4.695 4.120 0.001 0.000 0.279 328 V C 0.582 176.665 176.094 -0.018 0.000 1.029 328 V CA -0.561 61.656 62.300 -0.138 0.000 0.870 328 V CB 1.018 32.616 31.823 -0.375 0.000 0.984 328 V HN 0.748 nan 8.190 nan 0.000 0.451 329 A N 4.139 126.962 122.820 0.005 0.000 2.343 329 A HA 0.885 5.205 4.320 0.001 0.000 0.316 329 A C -0.011 177.630 177.584 0.094 0.000 1.104 329 A CA -0.474 51.586 52.037 0.038 0.000 0.768 329 A CB 1.505 20.504 19.000 -0.001 0.000 1.213 329 A HN 0.916 nan 8.150 nan 0.000 0.456 330 S N 0.803 116.564 115.700 0.101 0.000 2.648 330 S HA 0.824 5.294 4.470 0.001 0.000 0.305 330 S C 0.314 174.975 174.600 0.103 0.000 1.094 330 S CA -0.091 58.172 58.200 0.106 0.000 0.983 330 S CB 1.202 64.453 63.200 0.086 0.000 1.101 330 S HN 1.223 nan 8.310 nan 0.000 0.514 331 T N -1.031 113.579 114.554 0.092 0.000 2.788 331 T HA 0.365 4.715 4.350 0.001 0.000 0.280 331 T C 1.142 175.868 174.700 0.044 0.000 0.984 331 T CA -0.659 61.492 62.100 0.084 0.000 0.972 331 T CB 0.238 69.140 68.868 0.057 0.000 1.039 331 T HN 0.578 nan 8.240 nan 0.000 0.530 332 L N 0.055 121.312 121.223 0.057 0.000 2.131 332 L HA -0.017 4.324 4.340 0.001 0.000 0.210 332 L C 2.373 179.350 176.870 0.178 0.000 1.092 332 L CA 1.535 56.421 54.840 0.075 0.000 0.759 332 L CB -0.510 41.633 42.059 0.140 0.000 0.903 332 L HN 0.595 nan 8.230 nan 0.000 0.435 333 M N -1.085 118.595 119.600 0.134 0.000 2.419 333 M HA 0.045 4.526 4.480 0.001 0.000 0.264 333 M C 1.909 178.274 176.300 0.108 0.000 1.082 333 M CA 1.165 56.545 55.300 0.134 0.000 1.119 333 M CB -1.203 31.425 32.600 0.047 0.000 1.398 333 M HN 0.432 nan 8.290 nan 0.000 0.453 334 G N -0.058 108.778 108.800 0.061 0.000 3.042 334 G HA2 0.239 4.200 3.960 0.001 0.000 0.212 334 G HA3 0.239 4.200 3.960 0.001 0.000 0.212 334 G C 0.674 175.601 174.900 0.045 0.000 1.166 334 G CA -0.367 44.762 45.100 0.049 0.000 0.767 334 G HN 0.267 nan 8.290 nan 0.000 0.546 335 L N 0.364 121.572 121.223 -0.026 0.000 2.559 335 L HA 0.253 4.593 4.340 0.001 0.000 0.282 335 L C 1.736 178.602 176.870 -0.006 0.000 1.232 335 L CA 1.261 56.030 54.840 -0.119 0.000 0.885 335 L CB 0.396 42.101 42.059 -0.589 0.000 1.131 335 L HN 0.367 nan 8.230 nan 0.000 0.498 336 G N 1.323 110.180 108.800 0.096 0.000 2.317 336 G HA2 -0.346 3.614 3.960 0.001 0.000 0.227 336 G HA3 -0.346 3.614 3.960 0.001 0.000 0.227 336 G C 1.104 176.090 174.900 0.143 0.000 1.042 336 G CA 0.416 45.610 45.100 0.156 0.000 0.623 336 G HN 0.596 nan 8.290 nan 0.000 0.509 337 S N -0.682 115.101 115.700 0.139 0.000 2.372 337 S HA -0.072 4.398 4.470 0.001 0.000 0.227 337 S C 0.805 175.540 174.600 0.225 0.000 1.044 337 S CA 1.780 60.074 58.200 0.157 0.000 1.050 337 S CB -0.104 63.182 63.200 0.143 0.000 0.901 337 S HN 0.951 nan 8.310 nan 0.000 0.447 338 Y N 3.529 123.885 120.300 0.094 0.000 2.326 338 Y HA 0.401 4.951 4.550 0.001 0.000 0.331 338 Y C -2.414 173.550 175.900 0.106 0.000 0.962 338 Y CA -3.334 54.825 58.100 0.097 0.000 1.167 338 Y CB 0.776 39.291 38.460 0.091 0.000 1.148 338 Y HN 0.003 nan 8.280 nan 0.000 0.463 342 D N -0.055 120.317 120.400 -0.047 0.000 2.348 342 D HA 0.506 5.146 4.640 0.001 0.000 0.249 342 D C 1.694 178.014 176.300 0.032 0.000 1.110 342 D CA 0.430 54.401 54.000 -0.050 0.000 0.967 342 D CB 1.080 41.761 40.800 -0.198 0.000 1.139 342 D HN 0.167 nan 8.370 nan 0.000 0.466 343 E N 0.210 120.442 120.200 0.053 0.000 2.152 343 E HA -0.026 4.324 4.350 0.001 0.000 0.192 343 E C 1.871 178.507 176.600 0.059 0.000 0.983 343 E CA 0.795 57.219 56.400 0.041 0.000 0.818 343 E CB -0.644 29.078 29.700 0.036 0.000 0.758 343 E HN 0.467 nan 8.360 nan 0.000 0.467 344 L N 0.840 122.155 121.223 0.154 0.000 2.591 344 L HA 0.144 4.484 4.340 0.001 0.000 0.228 344 L C 1.406 178.371 176.870 0.158 0.000 1.133 344 L CA -0.014 54.908 54.840 0.138 0.000 0.880 344 L CB 0.536 42.682 42.059 0.146 0.000 1.033 344 L HN 0.177 nan 8.230 nan 0.000 0.450 345 S N 0.159 115.995 115.700 0.225 0.000 2.481 345 S HA 0.221 4.692 4.470 0.001 0.000 0.276 345 S C 0.910 175.419 174.600 -0.152 0.000 1.247 345 S CA -0.477 57.809 58.200 0.144 0.000 1.053 345 S CB 0.601 63.872 63.200 0.119 0.000 0.925 345 S HN 0.251 nan 8.310 nan 0.000 0.491 346 L N 4.606 125.785 121.223 -0.073 0.000 2.592 346 L HA 0.305 4.645 4.340 0.001 0.000 0.227 346 L C 0.640 177.460 176.870 -0.083 0.000 1.127 346 L CA -0.088 54.734 54.840 -0.030 0.000 0.884 346 L CB -0.829 41.234 42.059 0.007 0.000 1.065 346 L HN 0.910 nan 8.230 nan 0.000 0.457 347 H N -2.250 116.883 119.070 0.106 0.000 1.452 347 H HA -0.255 4.301 4.556 0.001 0.000 0.090 347 H C 0.248 175.565 175.328 -0.017 0.000 1.233 347 H CA 0.346 56.416 56.048 0.037 0.000 1.901 347 H CB -0.627 29.138 29.762 0.005 0.000 2.257 347 H HN 0.104 nan 8.280 nan 0.000 0.961 348 M N 2.313 121.979 119.600 0.110 0.000 2.228 348 M HA 0.342 4.823 4.480 0.001 0.000 0.351 348 M C -0.293 176.007 176.300 -0.000 0.000 1.233 348 M CA -0.255 55.065 55.300 0.034 0.000 1.129 348 M CB 0.157 32.755 32.600 -0.002 0.000 1.604 348 M HN 0.412 nan 8.290 nan 0.000 0.457 349 L N 3.703 124.931 121.223 0.008 0.000 2.331 349 L HA 1.100 5.441 4.340 0.001 0.000 0.268 349 L C -0.122 176.752 176.870 0.007 0.000 1.015 349 L CA -0.122 54.708 54.840 -0.017 0.000 0.807 349 L CB 1.729 43.763 42.059 -0.041 0.000 1.293 349 L HN 0.851 nan 8.230 nan 0.000 0.451 350 G N 0.709 109.509 108.800 0.000 0.000 2.331 350 G HA2 -0.175 3.785 3.960 0.001 0.000 0.479 350 G HA3 -0.175 3.785 3.960 0.001 0.000 0.479 350 G C 0.029 174.918 174.900 -0.017 0.000 1.262 350 G CA -0.079 45.020 45.100 -0.002 0.000 1.029 350 G HN 0.987 nan 8.290 nan 0.000 0.487 351 M N -0.478 119.088 119.600 -0.056 0.000 2.146 351 M HA -0.140 4.341 4.480 0.001 0.000 0.256 351 M C 1.393 177.461 176.300 -0.386 0.000 1.075 351 M CA 2.329 57.506 55.300 -0.205 0.000 1.082 351 M CB -0.251 32.223 32.600 -0.209 0.000 1.355 351 M HN 0.575 nan 8.290 nan 0.000 0.402 352 H N -1.086 118.015 119.070 0.052 0.000 2.567 352 H HA 0.329 4.885 4.556 0.001 0.000 0.267 352 H C 0.588 175.942 175.328 0.043 0.000 1.148 352 H CA 0.224 56.307 56.048 0.059 0.000 1.031 352 H CB -0.303 29.493 29.762 0.056 0.000 1.691 352 H HN 0.385 nan 8.280 nan 0.000 0.588 353 G N 1.133 109.980 108.800 0.077 0.000 2.621 353 G HA2 0.189 4.149 3.960 0.001 0.000 0.271 353 G HA3 0.189 4.149 3.960 0.001 0.000 0.271 353 G C 0.470 175.359 174.900 -0.018 0.000 1.236 353 G CA -0.261 44.852 45.100 0.022 0.000 0.958 353 G HN 0.227 nan 8.290 nan 0.000 0.512 354 T N -2.444 112.023 114.554 -0.145 0.000 2.856 354 T HA 0.126 4.476 4.350 0.001 0.000 0.306 354 T C 1.488 176.064 174.700 -0.206 0.000 1.062 354 T CA -0.224 61.697 62.100 -0.297 0.000 1.083 354 T CB 1.305 69.586 68.868 -0.979 0.000 0.984 354 T HN 0.188 nan 8.240 nan 0.000 0.542 355 V N 2.303 122.194 119.914 -0.037 0.000 2.427 355 V HA -0.130 3.990 4.120 0.001 0.000 0.248 355 V C 2.196 178.412 176.094 0.205 0.000 1.051 355 V CA 1.937 64.319 62.300 0.137 0.000 1.048 355 V CB -1.337 30.549 31.823 0.103 0.000 0.666 355 V HN 1.038 nan 8.190 nan 0.000 0.456 356 Y N 0.327 120.702 120.300 0.125 0.000 2.373 356 Y HA 0.192 4.743 4.550 0.001 0.000 0.293 356 Y C 2.384 178.312 175.900 0.048 0.000 1.129 356 Y CA 0.855 58.994 58.100 0.065 0.000 1.226 356 Y CB -1.032 37.428 38.460 -0.001 0.000 1.000 356 Y HN 0.073 nan 8.280 nan 0.000 0.549 357 A N 1.648 124.325 122.820 -0.239 0.000 1.898 357 A HA -0.175 4.145 4.320 0.001 0.000 0.216 357 A C 1.943 179.455 177.584 -0.121 0.000 1.181 357 A CA 1.749 53.691 52.037 -0.158 0.000 0.620 357 A CB -0.691 18.184 19.000 -0.209 0.000 0.819 357 A HN 0.521 nan 8.150 nan 0.000 0.442 358 N N -1.575 117.065 118.700 -0.099 0.000 2.331 358 N HA -0.115 4.625 4.740 0.001 0.000 0.180 358 N C 1.504 176.653 175.510 -0.602 0.000 1.019 358 N CA 1.371 54.314 53.050 -0.178 0.000 0.881 358 N CB -0.539 38.004 38.487 0.093 0.000 0.972 358 N HN 0.688 nan 8.380 nan 0.000 0.435 359 Y N 1.938 121.824 120.300 -0.690 0.000 2.114 359 Y HA -0.125 4.425 4.550 0.001 0.000 0.284 359 Y C 2.379 178.038 175.900 -0.401 0.000 1.143 359 Y CA 1.847 59.427 58.100 -0.866 0.000 1.135 359 Y CB -0.522 37.807 38.460 -0.218 0.000 0.980 359 Y HN 0.058 nan 8.280 nan 0.000 0.499 360 A N -0.408 122.377 122.820 -0.059 0.000 1.917 360 A HA -0.228 4.092 4.320 0.001 0.000 0.219 360 A C 2.251 179.818 177.584 -0.029 0.000 1.182 360 A CA 2.499 54.545 52.037 0.015 0.000 0.633 360 A CB -1.404 17.587 19.000 -0.015 0.000 0.819 360 A HN 0.385 nan 8.150 nan 0.000 0.448 361 V N -0.393 119.374 119.914 -0.246 0.000 2.488 361 V HA -0.150 3.970 4.120 0.001 0.000 0.246 361 V C 2.441 178.227 176.094 -0.513 0.000 1.046 361 V CA 2.053 64.126 62.300 -0.378 0.000 1.053 361 V CB -0.661 30.884 31.823 -0.463 0.000 0.679 361 V HN 0.676 nan 8.190 nan 0.000 0.458 362 E N -0.120 119.693 120.200 -0.645 0.000 2.268 362 E HA -0.183 4.167 4.350 0.001 0.000 0.195 362 E C 1.748 177.872 176.600 -0.795 0.000 0.995 362 E CA 1.223 57.158 56.400 -0.775 0.000 0.836 362 E CB -0.073 28.955 29.700 -1.120 0.000 0.763 362 E HN 0.702 nan 8.360 nan 0.000 0.491 363 H N -1.086 117.731 119.070 -0.421 0.000 2.923 363 H HA 0.261 4.817 4.556 0.001 0.000 0.268 363 H C 0.030 175.188 175.328 -0.284 0.000 1.148 363 H CA 0.517 56.380 56.048 -0.309 0.000 1.146 363 H CB 0.130 29.685 29.762 -0.346 0.000 1.607 363 H HN 0.089 nan 8.280 nan 0.000 0.566 364 S N 0.992 116.574 115.700 -0.196 0.000 2.592 364 S HA 0.076 4.546 4.470 0.001 0.000 0.271 364 S C 0.887 175.276 174.600 -0.351 0.000 1.326 364 S CA -0.269 57.724 58.200 -0.345 0.000 1.024 364 S CB 1.646 64.721 63.200 -0.208 0.000 0.921 364 S HN 0.307 nan 8.310 nan 0.000 0.527 365 D N -0.028 120.126 120.400 -0.410 0.000 2.389 365 D HA 0.235 4.876 4.640 0.001 0.000 0.206 365 D C -0.059 176.077 176.300 -0.274 0.000 1.055 365 D CA -0.192 53.624 54.000 -0.307 0.000 0.856 365 D CB -0.047 40.577 40.800 -0.293 0.000 0.957 365 D HN 0.362 nan 8.370 nan 0.000 0.509 366 L N 0.601 121.655 121.223 -0.282 0.000 2.482 366 L HA 0.471 4.811 4.340 0.001 0.000 0.269 366 L C -2.044 174.718 176.870 -0.179 0.000 0.967 366 L CA -1.088 53.625 54.840 -0.213 0.000 0.851 366 L CB 1.974 43.919 42.059 -0.190 0.000 1.242 366 L HN 0.028 nan 8.230 nan 0.000 0.404 367 L N 5.924 127.073 121.223 -0.124 0.000 2.280 367 L HA 0.519 4.860 4.340 0.001 0.000 0.287 367 L C -0.999 175.845 176.870 -0.043 0.000 1.023 367 L CA -0.083 54.704 54.840 -0.087 0.000 0.819 367 L CB 1.140 43.164 42.059 -0.059 0.000 1.212 367 L HN 0.584 nan 8.230 nan 0.000 0.420 368 L N 6.404 127.528 121.223 -0.165 0.000 2.397 368 L HA 0.413 4.754 4.340 0.001 0.000 0.263 368 L C 0.557 177.074 176.870 -0.588 0.000 1.136 368 L CA -0.469 54.121 54.840 -0.416 0.000 1.019 368 L CB 0.442 42.087 42.059 -0.691 0.000 1.352 368 L HN 0.790 nan 8.230 nan 0.000 0.420 369 A N 3.310 126.082 122.820 -0.081 0.000 2.544 369 A HA 0.426 4.746 4.320 0.001 0.000 0.301 369 A C -0.528 177.192 177.584 0.227 0.000 1.368 369 A CA -0.021 52.011 52.037 -0.008 0.000 1.045 369 A CB -0.551 18.546 19.000 0.162 0.000 1.129 369 A HN 0.382 nan 8.150 nan 0.000 0.540 370 F N 1.276 121.168 119.950 -0.096 0.000 2.388 370 F HA 0.544 5.071 4.527 0.001 0.000 0.358 370 F C 1.243 176.968 175.800 -0.124 0.000 1.122 370 F CA -0.760 57.194 58.000 -0.078 0.000 1.056 370 F CB 1.012 39.946 39.000 -0.110 0.000 1.155 370 F HN 0.820 nan 8.300 nan 0.000 0.461 371 G N 1.956 110.829 108.800 0.121 0.000 2.198 371 G HA2 -0.077 3.883 3.960 0.001 0.000 0.257 371 G HA3 -0.077 3.883 3.960 0.001 0.000 0.257 371 G C -0.430 174.437 174.900 -0.056 0.000 1.042 371 G CA 0.209 45.324 45.100 0.026 0.000 0.791 371 G HN 0.921 nan 8.290 nan 0.000 0.502 372 V N -3.540 116.310 119.914 -0.105 0.000 3.046 372 V HA 0.938 5.058 4.120 0.001 0.000 0.316 372 V C 0.664 176.737 176.094 -0.035 0.000 1.104 372 V CA -0.642 61.481 62.300 -0.295 0.000 1.006 372 V CB 1.870 33.065 31.823 -1.045 0.000 1.058 372 V HN 0.614 nan 8.190 nan 0.000 0.440 373 R N 0.349 120.837 120.500 -0.020 0.000 2.629 373 R HA 0.445 4.785 4.340 0.001 0.000 0.408 373 R C -0.774 175.688 176.300 0.271 0.000 1.057 373 R CA -0.447 55.762 56.100 0.182 0.000 1.119 373 R CB -0.275 30.094 30.300 0.114 0.000 1.403 373 R HN 0.572 nan 8.270 nan 0.000 0.576 374 F N 1.771 121.714 119.950 -0.012 0.000 2.738 374 F HA -0.270 4.257 4.527 0.001 0.000 0.232 374 F C 0.344 176.093 175.800 -0.086 0.000 1.025 374 F CA 1.115 59.094 58.000 -0.036 0.000 0.895 374 F CB -1.684 37.263 39.000 -0.089 0.000 0.839 374 F HN 0.415 nan 8.300 nan 0.000 0.850 375 D N 0.637 121.059 120.400 0.038 0.000 2.360 375 D HA 0.062 4.703 4.640 0.001 0.000 0.242 375 D C 1.296 177.570 176.300 -0.044 0.000 1.184 375 D CA 0.060 54.064 54.000 0.007 0.000 0.930 375 D CB 0.689 41.492 40.800 0.005 0.000 1.161 375 D HN 0.210 nan 8.370 nan 0.000 0.447 376 D N 0.849 121.233 120.400 -0.027 0.000 2.117 376 D HA -0.111 4.529 4.640 0.001 0.000 0.198 376 D C 1.338 177.611 176.300 -0.044 0.000 0.982 376 D CA 0.903 54.880 54.000 -0.039 0.000 0.828 376 D CB 0.026 40.821 40.800 -0.009 0.000 0.967 376 D HN 0.430 nan 8.370 nan 0.000 0.464 377 R N 0.437 120.929 120.500 -0.013 0.000 2.343 377 R HA 0.027 4.367 4.340 0.001 0.000 0.202 377 R C 1.210 177.494 176.300 -0.027 0.000 1.023 377 R CA -0.027 56.075 56.100 0.003 0.000 1.084 377 R CB 0.319 30.651 30.300 0.054 0.000 0.956 377 R HN 0.113 nan 8.270 nan 0.000 0.478 378 V N -1.702 118.159 119.914 -0.088 0.000 3.431 378 V HA -0.045 4.076 4.120 0.001 0.000 0.255 378 V C 1.823 177.739 176.094 -0.297 0.000 1.403 378 V CA 1.198 63.412 62.300 -0.142 0.000 1.101 378 V CB 1.126 32.871 31.823 -0.130 0.000 0.891 378 V HN 0.402 nan 8.190 nan 0.000 0.446 379 T N -3.210 111.107 114.554 -0.394 0.000 3.026 379 T HA 0.485 4.835 4.350 0.001 0.000 0.245 379 T C 1.524 176.150 174.700 -0.124 0.000 1.004 379 T CA 1.437 63.208 62.100 -0.549 0.000 1.069 379 T CB 1.032 69.414 68.868 -0.810 0.000 1.005 379 T HN 1.006 nan 8.240 nan 0.000 0.472 380 G N 2.496 111.240 108.800 -0.093 0.000 2.557 380 G HA2 -0.330 3.630 3.960 0.001 0.000 0.292 380 G HA3 -0.330 3.630 3.960 0.001 0.000 0.292 380 G C -0.096 174.798 174.900 -0.010 0.000 1.162 380 G CA 0.198 45.281 45.100 -0.028 0.000 0.964 380 G HN 0.836 nan 8.290 nan 0.000 0.541 381 K N 1.452 121.866 120.400 0.023 0.000 2.315 381 K HA 0.494 4.814 4.320 0.001 0.000 0.291 381 K C 1.735 178.373 176.600 0.063 0.000 1.074 381 K CA -0.234 56.072 56.287 0.032 0.000 0.936 381 K CB 0.150 32.670 32.500 0.034 0.000 1.049 381 K HN 0.407 nan 8.250 nan 0.000 0.471 382 L N 3.550 124.800 121.223 0.045 0.000 2.189 382 L HA -0.228 4.112 4.340 0.001 0.000 0.214 382 L C 1.412 178.348 176.870 0.110 0.000 1.097 382 L CA 1.357 56.243 54.840 0.078 0.000 0.764 382 L CB -0.155 41.920 42.059 0.028 0.000 0.900 382 L HN 0.698 nan 8.230 nan 0.000 0.436 383 E N -0.380 119.861 120.200 0.067 0.000 2.285 383 E HA -0.071 4.279 4.350 0.001 0.000 0.194 383 E C 1.892 178.525 176.600 0.055 0.000 0.997 383 E CA 0.938 57.368 56.400 0.052 0.000 0.845 383 E CB -0.081 29.636 29.700 0.029 0.000 0.782 383 E HN 0.437 nan 8.360 nan 0.000 0.491 384 A N 0.002 122.866 122.820 0.075 0.000 2.348 384 A HA 0.162 4.483 4.320 0.001 0.000 0.224 384 A C 0.120 177.745 177.584 0.069 0.000 1.227 384 A CA -0.467 51.602 52.037 0.053 0.000 0.885 384 A CB -0.122 18.908 19.000 0.051 0.000 0.933 384 A HN 0.222 nan 8.150 nan 0.000 0.506 385 F N 1.285 121.214 119.950 -0.035 0.000 2.438 385 F HA 0.447 4.974 4.527 0.001 0.000 0.360 385 F C 1.110 176.877 175.800 -0.054 0.000 1.118 385 F CA -0.282 57.687 58.000 -0.052 0.000 1.164 385 F CB 0.414 39.408 39.000 -0.010 0.000 1.131 385 F HN 0.431 nan 8.300 nan 0.000 0.527 386 A N 3.325 125.749 122.820 -0.660 0.000 2.798 386 A HA -0.329 3.992 4.320 0.001 0.000 0.282 386 A C 1.869 179.308 177.584 -0.242 0.000 1.464 386 A CA 1.179 52.894 52.037 -0.537 0.000 0.844 386 A CB -2.509 16.095 19.000 -0.661 0.000 1.006 386 A HN 1.399 nan 8.150 nan 0.000 0.577 387 S N -1.672 113.934 115.700 -0.158 0.000 2.461 387 S HA 0.004 4.474 4.470 0.001 0.000 0.246 387 S C 1.351 175.907 174.600 -0.074 0.000 1.007 387 S CA 1.830 59.987 58.200 -0.071 0.000 0.976 387 S CB -0.631 62.541 63.200 -0.047 0.000 0.763 387 S HN 2.112 nan 8.310 nan 0.000 0.508 388 R N 0.251 120.676 120.500 -0.125 0.000 2.997 388 R HA 0.835 5.175 4.340 0.001 0.000 0.358 388 R C 0.027 176.234 176.300 -0.155 0.000 1.191 388 R CA 0.075 56.107 56.100 -0.114 0.000 1.113 388 R CB -0.604 29.634 30.300 -0.104 0.000 1.433 388 R HN 0.905 nan 8.270 nan 0.000 0.584 389 A N 0.330 123.059 122.820 -0.152 0.000 2.605 389 A HA 0.629 4.949 4.320 0.001 0.000 0.294 389 A C -1.277 176.168 177.584 -0.232 0.000 1.062 389 A CA -0.882 51.033 52.037 -0.203 0.000 0.682 389 A CB 1.104 nan 19.000 nan 0.000 1.278 389 A HN 0.333 nan 8.150 nan 0.000 0.410 390 K N 1.415 121.594 120.400 -0.368 0.000 2.312 390 K HA 0.469 4.790 4.320 0.001 0.000 0.287 390 K C -0.898 175.568 176.600 -0.223 0.000 1.062 390 K CA 0.236 56.121 56.287 -0.670 0.000 0.934 390 K CB 0.745 32.876 32.500 -0.616 0.000 1.027 390 K HN 0.534 nan 8.250 nan 0.000 0.478 391 I N 3.684 124.272 120.570 0.030 0.000 2.304 391 I HA 0.124 4.295 4.170 0.001 0.000 0.291 391 I C -0.335 175.915 176.117 0.222 0.000 1.018 391 I CA -0.965 60.435 61.300 0.166 0.000 1.260 391 I CB 1.329 39.477 38.000 0.246 0.000 1.390 391 I HN 0.191 nan 8.210 nan 0.000 0.475 392 V N 6.364 126.406 119.914 0.213 0.000 2.328 392 V HA 0.218 4.339 4.120 0.001 0.000 0.278 392 V C -0.097 176.234 176.094 0.395 0.000 1.021 392 V CA -0.499 61.964 62.300 0.271 0.000 0.838 392 V CB 0.891 32.869 31.823 0.258 0.000 0.999 392 V HN 0.664 nan 8.190 nan 0.000 0.447 393 H N 5.794 125.017 119.070 0.254 0.000 2.595 393 H HA 0.558 5.114 4.556 0.001 0.000 0.313 393 H C -0.944 174.499 175.328 0.192 0.000 1.023 393 H CA -0.872 55.345 56.048 0.282 0.000 1.218 393 H CB 1.086 31.002 29.762 0.257 0.000 1.403 393 H HN 0.562 nan 8.280 nan 0.000 0.477 394 I N 5.486 126.239 120.570 0.305 0.000 2.321 394 I HA 0.157 4.328 4.170 0.001 0.000 0.291 394 I C -0.431 175.634 176.117 -0.086 0.000 0.998 394 I CA -0.119 61.171 61.300 -0.017 0.000 1.227 394 I CB 1.233 39.112 38.000 -0.202 0.000 1.368 394 I HN 0.609 nan 8.210 nan 0.000 0.466 395 D N 4.858 125.121 120.400 -0.228 0.000 2.753 395 D HA 0.216 4.856 4.640 0.001 0.000 0.224 395 D C 0.160 176.371 176.300 -0.149 0.000 1.213 395 D CA -0.503 53.388 54.000 -0.182 0.000 0.833 395 D CB 2.819 43.449 40.800 -0.284 0.000 1.607 395 D HN 0.328 nan 8.370 nan 0.000 0.463 396 I N 1.357 121.867 120.570 -0.100 0.000 2.928 396 I HA 0.029 4.199 4.170 0.001 0.000 0.266 396 I C 0.179 176.242 176.117 -0.090 0.000 1.234 396 I CA 0.739 61.983 61.300 -0.093 0.000 1.483 396 I CB 0.022 37.979 38.000 -0.071 0.000 1.097 396 I HN 0.236 nan 8.210 nan 0.000 0.455 397 D N -0.786 119.566 120.400 -0.079 0.000 2.392 397 D HA 0.116 4.756 4.640 0.001 0.000 0.228 397 D C 1.321 177.576 176.300 -0.076 0.000 1.074 397 D CA 0.445 54.408 54.000 -0.062 0.000 0.838 397 D CB 1.445 42.229 40.800 -0.027 0.000 1.067 397 D HN 0.238 nan 8.370 nan 0.000 0.511 398 S N 3.395 119.047 115.700 -0.080 0.000 2.374 398 S HA -0.247 4.224 4.470 0.001 0.000 0.227 398 S C 2.093 176.661 174.600 -0.054 0.000 1.037 398 S CA 1.163 59.315 58.200 -0.080 0.000 1.024 398 S CB -0.382 62.775 63.200 -0.072 0.000 0.861 398 S HN 0.474 nan 8.310 nan 0.000 0.456 399 A N 1.924 124.724 122.820 -0.034 0.000 1.986 399 A HA -0.148 4.173 4.320 0.001 0.000 0.220 399 A C 2.271 179.857 177.584 0.002 0.000 1.171 399 A CA 1.728 53.756 52.037 -0.015 0.000 0.640 399 A CB -0.645 18.351 19.000 -0.007 0.000 0.811 399 A HN 0.538 nan 8.150 nan 0.000 0.451 400 E N -0.092 120.115 120.200 0.012 0.000 2.107 400 E HA -0.017 4.334 4.350 0.001 0.000 0.191 400 E C 0.585 177.252 176.600 0.112 0.000 0.982 400 E CA 0.243 56.688 56.400 0.075 0.000 0.809 400 E CB -0.317 29.444 29.700 0.102 0.000 0.756 400 E HN 0.685 nan 8.360 nan 0.000 0.459 401 I N 1.015 121.580 120.570 -0.009 0.000 2.581 401 I HA -0.015 4.155 4.170 0.001 0.000 0.285 401 I C 1.427 177.560 176.117 0.027 0.000 1.129 401 I CA 0.831 62.117 61.300 -0.023 0.000 1.397 401 I CB 0.225 38.127 38.000 -0.165 0.000 1.399 401 I HN 0.227 nan 8.210 nan 0.000 0.537 402 G N 4.973 113.808 108.800 0.059 0.000 2.199 402 G HA2 -0.321 3.639 3.960 0.001 0.000 0.254 402 G HA3 -0.321 3.639 3.960 0.001 0.000 0.254 402 G C 1.304 176.174 174.900 -0.050 0.000 0.982 402 G CA 0.436 45.521 45.100 -0.024 0.000 0.632 402 G HN 0.675 nan 8.290 nan 0.000 0.529 403 K N 0.371 120.756 120.400 -0.025 0.000 2.001 403 K HA -0.154 4.166 4.320 0.001 0.000 0.214 403 K C 2.103 178.671 176.600 -0.054 0.000 1.050 403 K CA 2.136 58.408 56.287 -0.024 0.000 0.934 403 K CB -0.208 32.300 32.500 0.012 0.000 0.718 403 K HN 0.443 nan 8.250 nan 0.000 0.443 404 N N -0.466 118.175 118.700 -0.099 0.000 2.499 404 N HA 0.010 4.751 4.740 0.001 0.000 0.182 404 N C -0.364 175.037 175.510 -0.181 0.000 1.034 404 N CA 0.530 53.514 53.050 -0.110 0.000 0.882 404 N CB 0.483 38.936 38.487 -0.057 0.000 1.125 404 N HN -0.073 nan 8.380 nan 0.000 0.436 405 K N 0.617 120.788 120.400 -0.381 0.000 2.502 405 K HA 0.267 4.587 4.320 0.001 0.000 0.254 405 K C -1.292 175.131 176.600 -0.295 0.000 0.947 405 K CA -0.497 55.575 56.287 -0.358 0.000 0.834 405 K CB 0.886 33.058 32.500 -0.547 0.000 1.112 405 K HN 0.062 nan 8.250 nan 0.000 0.427 406 T N 2.851 117.319 114.554 -0.143 0.000 2.784 406 T HA 0.319 4.670 4.350 0.001 0.000 0.291 406 T C -2.076 172.586 174.700 -0.063 0.000 0.942 406 T CA -1.200 60.842 62.100 -0.096 0.000 1.161 406 T CB 0.202 69.020 68.868 -0.083 0.000 0.885 406 T HN 0.270 nan 8.240 nan 0.000 0.534 407 P HA 0.339 nan 4.420 nan 0.000 0.276 407 P C 0.315 177.655 177.300 0.065 0.000 1.252 407 P CA -0.614 62.542 63.100 0.093 0.000 0.802 407 P CB 0.662 32.456 31.700 0.156 0.000 1.035 408 H N -1.112 117.991 119.070 0.056 0.000 2.399 408 H HA 0.184 4.741 4.556 0.001 0.000 0.300 408 H C 0.164 175.529 175.328 0.062 0.000 1.048 408 H CA 0.947 57.023 56.048 0.046 0.000 1.370 408 H CB 0.230 30.016 29.762 0.040 0.000 1.428 408 H HN 0.005 nan 8.280 nan 0.000 0.534 409 V N 0.772 120.819 119.914 0.222 0.000 2.709 409 V HA 0.449 4.569 4.120 0.001 0.000 0.308 409 V C -0.632 175.557 176.094 0.158 0.000 1.062 409 V CA -0.694 61.709 62.300 0.173 0.000 0.901 409 V CB 1.923 33.852 31.823 0.176 0.000 1.003 409 V HN 0.405 nan 8.190 nan 0.000 0.425 410 S N 3.173 118.933 115.700 0.101 0.000 2.599 410 S HA 0.912 5.383 4.470 0.001 0.000 0.287 410 S C -1.285 173.280 174.600 -0.059 0.000 1.105 410 S CA -0.779 57.447 58.200 0.042 0.000 0.899 410 S CB 2.265 65.468 63.200 0.003 0.000 1.100 410 S HN 0.526 nan 8.310 nan 0.000 0.482 411 V N 1.116 120.964 119.914 -0.111 0.000 2.532 411 V HA 0.382 4.502 4.120 0.001 0.000 0.294 411 V C -0.582 175.394 176.094 -0.197 0.000 1.036 411 V CA -0.849 61.335 62.300 -0.193 0.000 0.876 411 V CB 1.203 32.935 31.823 -0.152 0.000 1.012 411 V HN 1.188 nan 8.190 nan 0.000 0.432 412 C N 5.453 124.631 119.300 -0.205 0.000 2.227 412 C HA 0.870 5.330 4.460 0.001 0.000 0.333 412 C C 0.833 175.732 174.990 -0.153 0.000 1.145 412 C CA 0.824 59.739 59.018 -0.173 0.000 1.643 412 C CB -1.497 26.152 27.740 -0.151 0.000 2.185 412 C HN 1.223 nan 8.230 nan 0.000 0.497 413 G N 4.410 113.123 108.800 -0.144 0.000 2.342 413 G HA2 0.304 4.264 3.960 0.001 0.000 0.297 413 G HA3 0.304 4.264 3.960 0.001 0.000 0.297 413 G C -1.745 173.083 174.900 -0.119 0.000 1.313 413 G CA -0.483 44.544 45.100 -0.122 0.000 0.830 413 G HN 0.559 nan 8.290 nan 0.000 0.506 414 D N 0.047 120.387 120.400 -0.101 0.000 2.401 414 D HA 0.175 4.815 4.640 0.001 0.000 0.254 414 D C 1.516 177.738 176.300 -0.129 0.000 1.192 414 D CA 0.166 54.110 54.000 -0.094 0.000 0.885 414 D CB 1.651 42.411 40.800 -0.066 0.000 1.147 414 D HN 0.349 nan 8.370 nan 0.000 0.478 415 V N 5.274 125.101 119.914 -0.145 0.000 2.490 415 V HA -0.187 3.934 4.120 0.001 0.000 0.250 415 V C 2.249 178.221 176.094 -0.203 0.000 1.061 415 V CA 2.066 64.231 62.300 -0.225 0.000 1.064 415 V CB -0.359 31.350 31.823 -0.190 0.000 0.670 415 V HN 0.650 nan 8.190 nan 0.000 0.461 416 K N -0.446 119.885 120.400 -0.116 0.000 2.026 416 K HA -0.140 4.180 4.320 0.001 0.000 0.208 416 K C 2.099 178.651 176.600 -0.079 0.000 1.048 416 K CA 1.927 58.167 56.287 -0.078 0.000 0.929 416 K CB -0.242 32.236 32.500 -0.036 0.000 0.713 416 K HN 0.536 nan 8.250 nan 0.000 0.439 417 L N 0.605 121.781 121.223 -0.078 0.000 2.017 417 L HA -0.161 4.180 4.340 0.001 0.000 0.208 417 L C 2.739 179.558 176.870 -0.085 0.000 1.073 417 L CA 1.261 56.064 54.840 -0.062 0.000 0.745 417 L CB -0.695 41.332 42.059 -0.053 0.000 0.894 417 L HN 0.266 nan 8.230 nan 0.000 0.432 418 A N 0.409 123.143 122.820 -0.144 0.000 1.892 418 A HA -0.215 4.105 4.320 0.001 0.000 0.218 418 A C 2.288 179.758 177.584 -0.190 0.000 1.188 418 A CA 1.714 53.639 52.037 -0.187 0.000 0.631 418 A CB -0.850 17.960 19.000 -0.317 0.000 0.822 418 A HN 0.350 nan 8.150 nan 0.000 0.447 419 L N -0.853 120.227 121.223 -0.239 0.000 2.012 419 L HA -0.301 4.039 4.340 0.001 0.000 0.210 419 L C 3.001 179.866 176.870 -0.009 0.000 1.073 419 L CA 1.936 56.666 54.840 -0.184 0.000 0.748 419 L CB -0.695 41.263 42.059 -0.169 0.000 0.891 419 L HN 0.520 nan 8.230 nan 0.000 0.431 420 Q N -0.456 119.341 119.800 -0.005 0.000 2.096 420 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 420 Q C 2.249 178.277 176.000 0.047 0.000 0.982 420 Q CA 1.495 57.319 55.803 0.035 0.000 0.850 420 Q CB -0.519 28.231 28.738 0.020 0.000 0.901 420 Q HN 0.638 nan 8.270 nan 0.000 0.422 421 G N 1.263 110.077 108.800 0.023 0.000 2.511 421 G HA2 -0.263 3.697 3.960 0.001 0.000 0.216 421 G HA3 -0.263 3.697 3.960 0.001 0.000 0.216 421 G C 1.397 176.340 174.900 0.073 0.000 1.218 421 G CA 0.972 46.093 45.100 0.036 0.000 0.788 421 G HN 0.189 nan 8.290 nan 0.000 0.560 422 M N 0.815 120.471 119.600 0.093 0.000 2.260 422 M HA -0.097 4.383 4.480 0.001 0.000 0.261 422 M C 2.244 178.681 176.300 0.228 0.000 1.066 422 M CA 0.934 56.345 55.300 0.185 0.000 1.082 422 M CB -0.418 32.349 32.600 0.279 0.000 1.388 422 M HN 0.161 nan 8.290 nan 0.000 0.419 423 N N 0.750 119.579 118.700 0.214 0.000 2.142 423 N HA -0.091 4.649 4.740 0.001 0.000 0.186 423 N C 1.521 177.096 175.510 0.108 0.000 1.023 423 N CA 1.161 54.324 53.050 0.188 0.000 0.852 423 N CB -0.198 38.395 38.487 0.177 0.000 0.998 423 N HN 0.420 nan 8.380 nan 0.000 0.424 424 K N 0.537 120.989 120.400 0.087 0.000 2.026 424 K HA -0.048 4.272 4.320 0.001 0.000 0.208 424 K C 2.009 178.642 176.600 0.055 0.000 1.048 424 K CA 0.950 57.274 56.287 0.061 0.000 0.929 424 K CB -0.192 32.338 32.500 0.050 0.000 0.713 424 K HN -0.030 nan 8.250 nan 0.000 0.439 425 V N 1.990 121.943 119.914 0.064 0.000 2.343 425 V HA -0.234 3.886 4.120 0.001 0.000 0.247 425 V C 2.199 178.321 176.094 0.047 0.000 1.051 425 V CA 1.626 63.959 62.300 0.055 0.000 1.036 425 V CB -0.498 31.366 31.823 0.068 0.000 0.654 425 V HN 0.281 nan 8.190 nan 0.000 0.451 426 L N -0.330 120.926 121.223 0.055 0.000 2.362 426 L HA -0.134 4.206 4.340 0.001 0.000 0.219 426 L C 2.458 179.336 176.870 0.013 0.000 1.134 426 L CA 1.350 56.205 54.840 0.024 0.000 0.807 426 L CB -0.375 41.683 42.059 -0.001 0.000 0.927 426 L HN 0.432 nan 8.230 nan 0.000 0.447 427 E N -0.112 120.104 120.200 0.027 0.000 2.102 427 E HA -0.115 4.236 4.350 0.001 0.000 0.190 427 E C 1.830 178.440 176.600 0.017 0.000 0.971 427 E CA 0.540 56.953 56.400 0.022 0.000 0.821 427 E CB 0.334 30.054 29.700 0.033 0.000 0.777 427 E HN 0.451 nan 8.360 nan 0.000 0.460 428 N N 0.786 119.498 118.700 0.020 0.000 2.124 428 N HA -0.066 4.675 4.740 0.001 0.000 0.188 428 N C 1.118 176.634 175.510 0.010 0.000 1.045 428 N CA 0.878 53.937 53.050 0.015 0.000 0.846 428 N CB -0.331 38.167 38.487 0.018 0.000 1.020 428 N HN 0.040 nan 8.380 nan 0.000 0.432 429 R N 1.468 121.975 120.500 0.012 0.000 2.386 429 R HA 0.219 4.560 4.340 0.001 0.000 0.216 429 R C 1.550 177.849 176.300 -0.002 0.000 1.119 429 R CA -0.005 56.099 56.100 0.006 0.000 1.158 429 R CB -0.267 30.040 30.300 0.011 0.000 1.057 429 R HN 0.220 nan 8.270 nan 0.000 0.489 430 A N 1.830 124.648 122.820 -0.004 0.000 1.837 430 A HA -0.300 4.021 4.320 0.001 0.000 0.216 430 A C 2.472 180.043 177.584 -0.022 0.000 1.210 430 A CA 2.204 54.232 52.037 -0.014 0.000 0.632 430 A CB -1.043 17.951 19.000 -0.010 0.000 0.843 430 A HN 0.482 nan 8.150 nan 0.000 0.448 431 E N -0.371 119.818 120.200 -0.017 0.000 2.097 431 E HA -0.305 4.045 4.350 0.001 0.000 0.196 431 E C 1.956 178.543 176.600 -0.023 0.000 1.000 431 E CA 2.017 58.405 56.400 -0.020 0.000 0.804 431 E CB -0.900 28.792 29.700 -0.014 0.000 0.740 431 E HN 0.830 nan 8.360 nan 0.000 0.454 432 E N -0.313 119.877 120.200 -0.017 0.000 2.085 432 E HA -0.167 4.183 4.350 0.001 0.000 0.194 432 E C 2.303 178.890 176.600 -0.023 0.000 0.994 432 E CA 1.348 57.739 56.400 -0.016 0.000 0.801 432 E CB -0.179 29.516 29.700 -0.008 0.000 0.743 432 E HN 0.597 nan 8.360 nan 0.000 0.453 433 L N 0.300 121.507 121.223 -0.027 0.000 2.023 433 L HA -0.053 4.287 4.340 0.001 0.000 0.205 433 L C 1.557 178.388 176.870 -0.065 0.000 1.073 433 L CA 1.202 56.019 54.840 -0.039 0.000 0.745 433 L CB -0.711 41.328 42.059 -0.033 0.000 0.900 433 L HN 0.167 nan 8.230 nan 0.000 0.435 434 K N 1.106 121.464 120.400 -0.071 0.000 3.974 434 K HA -0.179 4.141 4.320 0.001 0.000 0.280 434 K C -0.321 176.187 176.600 -0.152 0.000 0.949 434 K CA 0.856 57.088 56.287 -0.091 0.000 0.817 434 K CB -3.013 29.444 32.500 -0.073 0.000 1.535 434 K HN 0.309 nan 8.250 nan 0.000 0.444 435 L N 0.877 121.984 121.223 -0.194 0.000 2.367 435 L HA 0.551 4.891 4.340 0.001 0.000 0.275 435 L C 0.491 177.093 176.870 -0.447 0.000 1.129 435 L CA -0.541 54.075 54.840 -0.374 0.000 0.839 435 L CB 1.268 43.127 42.059 -0.333 0.000 1.133 435 L HN 0.672 nan 8.230 nan 0.000 0.453 436 D N 2.522 122.524 120.400 -0.664 0.000 2.736 436 D HA 0.291 4.931 4.640 0.001 0.000 0.243 436 D C -0.645 175.333 176.300 -0.536 0.000 1.304 436 D CA -0.335 53.397 54.000 -0.446 0.000 0.934 436 D CB 0.979 41.648 40.800 -0.217 0.000 1.382 436 D HN 0.283 nan 8.370 nan 0.000 0.571 437 F N 1.587 121.567 119.950 0.048 0.000 2.764 437 F HA 0.306 4.833 4.527 0.001 0.000 0.310 437 F C 2.013 177.890 175.800 0.128 0.000 1.124 437 F CA -0.689 57.375 58.000 0.107 0.000 1.252 437 F CB 1.371 40.457 39.000 0.144 0.000 1.010 437 F HN 0.524 nan 8.300 nan 0.000 0.518 438 G N 0.565 109.475 108.800 0.182 0.000 2.442 438 G HA2 -0.212 3.748 3.960 0.001 0.000 0.219 438 G HA3 -0.212 3.748 3.960 0.001 0.000 0.219 438 G C 1.631 176.617 174.900 0.142 0.000 1.141 438 G CA 1.370 46.547 45.100 0.128 0.000 0.763 438 G HN 0.227 nan 8.290 nan 0.000 0.554 439 V N -0.131 119.885 119.914 0.170 0.000 2.343 439 V HA -0.168 3.953 4.120 0.001 0.000 0.247 439 V C 2.261 178.514 176.094 0.265 0.000 1.051 439 V CA 1.802 64.207 62.300 0.174 0.000 1.036 439 V CB -0.755 31.163 31.823 0.157 0.000 0.654 439 V HN 0.675 nan 8.190 nan 0.000 0.451 440 W N 1.197 122.552 121.300 0.093 0.000 2.354 440 W HA -0.187 4.473 4.660 0.001 0.000 0.315 440 W C 2.761 179.317 176.519 0.061 0.000 1.206 440 W CA 1.357 58.746 57.345 0.072 0.000 1.290 440 W CB -0.103 29.396 29.460 0.064 0.000 1.152 440 W HN 0.118 nan 8.180 nan 0.000 0.489 441 R N 0.183 120.720 120.500 0.063 0.000 2.139 441 R HA -0.204 4.137 4.340 0.001 0.000 0.243 441 R C 1.802 178.027 176.300 -0.126 0.000 1.145 441 R CA 1.868 57.898 56.100 -0.118 0.000 0.976 441 R CB -0.452 29.854 30.300 0.009 0.000 0.866 441 R HN 0.251 nan 8.270 nan 0.000 0.449 442 N N 0.403 119.081 118.700 -0.036 0.000 2.207 442 N HA -0.160 4.581 4.740 0.001 0.000 0.182 442 N C 1.577 177.046 175.510 -0.068 0.000 1.020 442 N CA 0.867 53.892 53.050 -0.041 0.000 0.858 442 N CB -0.196 38.294 38.487 0.005 0.000 0.991 442 N HN 0.354 nan 8.380 nan 0.000 0.427 443 E N 0.921 121.100 120.200 -0.035 0.000 2.118 443 E HA -0.131 4.219 4.350 0.001 0.000 0.195 443 E C 1.782 178.291 176.600 -0.152 0.000 0.992 443 E CA 0.777 57.165 56.400 -0.019 0.000 0.804 443 E CB 0.046 29.835 29.700 0.148 0.000 0.741 443 E HN 0.287 nan 8.360 nan 0.000 0.458 444 L N 0.121 121.154 121.223 -0.316 0.000 2.127 444 L HA -0.066 4.274 4.340 0.001 0.000 0.203 444 L C 2.322 179.041 176.870 -0.252 0.000 1.080 444 L CA 0.822 55.456 54.840 -0.343 0.000 0.768 444 L CB -0.355 41.393 42.059 -0.519 0.000 0.924 444 L HN 0.128 nan 8.230 nan 0.000 0.444 445 N N -0.428 118.142 118.700 -0.217 0.000 2.430 445 N HA -0.153 4.588 4.740 0.001 0.000 0.186 445 N C 1.574 176.980 175.510 -0.173 0.000 1.032 445 N CA 0.679 53.616 53.050 -0.189 0.000 0.893 445 N CB 0.095 38.502 38.487 -0.134 0.000 0.957 445 N HN 0.042 nan 8.380 nan 0.000 0.442 446 V N 0.086 119.907 119.914 -0.155 0.000 2.302 446 V HA -0.134 3.986 4.120 0.001 0.000 0.243 446 V C 2.200 178.220 176.094 -0.123 0.000 1.036 446 V CA 1.249 63.476 62.300 -0.121 0.000 1.020 446 V CB -0.427 31.339 31.823 -0.095 0.000 0.657 446 V HN 0.347 nan 8.190 nan 0.000 0.453 447 Q N 0.300 119.990 119.800 -0.183 0.000 2.124 447 Q HA -0.227 4.114 4.340 0.001 0.000 0.202 447 Q C 2.219 178.197 176.000 -0.037 0.000 0.977 447 Q CA 1.582 57.316 55.803 -0.115 0.000 0.850 447 Q CB -0.424 28.069 28.738 -0.408 0.000 0.901 447 Q HN 0.640 nan 8.270 nan 0.000 0.429 448 K N 0.710 120.946 120.400 -0.274 0.000 2.209 448 K HA -0.153 4.167 4.320 0.001 0.000 0.204 448 K C 1.749 178.102 176.600 -0.412 0.000 1.048 448 K CA 1.164 57.012 56.287 -0.731 0.000 0.940 448 K CB 0.200 32.213 32.500 -0.811 0.000 0.729 448 K HN 0.208 nan 8.250 nan 0.000 0.451 449 Q N -0.678 118.993 119.800 -0.215 0.000 2.391 449 Q HA 0.009 4.349 4.340 0.001 0.000 0.211 449 Q C 1.603 177.538 176.000 -0.109 0.000 0.908 449 Q CA 0.388 56.104 55.803 -0.144 0.000 0.920 449 Q CB 0.422 29.085 28.738 -0.125 0.000 1.056 449 Q HN 0.167 nan 8.270 nan 0.000 0.523 450 K N 0.004 120.364 120.400 -0.068 0.000 2.305 450 K HA 0.018 4.338 4.320 0.001 0.000 0.199 450 K C -0.389 175.983 176.600 -0.381 0.000 1.047 450 K CA 0.656 56.849 56.287 -0.156 0.000 0.976 450 K CB 0.502 33.002 32.500 0.000 0.000 0.765 450 K HN 0.005 nan 8.250 nan 0.000 0.474 451 F N 1.755 121.709 119.950 0.007 0.000 2.627 451 F HA 0.317 4.844 4.527 0.001 0.000 0.344 451 F C -2.411 173.499 175.800 0.183 0.000 1.505 451 F CA -2.216 55.842 58.000 0.095 0.000 1.111 451 F CB 1.223 40.307 39.000 0.141 0.000 1.585 451 F HN -0.074 nan 8.300 nan 0.000 0.582 452 P HA 0.201 nan 4.420 nan 0.000 0.276 452 P C -0.088 177.365 177.300 0.255 0.000 1.252 452 P CA -0.367 62.868 63.100 0.225 0.000 0.802 452 P CB 1.744 33.478 31.700 0.058 0.000 1.035 453 L N 1.170 122.540 121.223 0.246 0.000 2.499 453 L HA 0.125 4.466 4.340 0.001 0.000 0.273 453 L C 1.119 178.131 176.870 0.236 0.000 1.195 453 L CA 0.712 55.661 54.840 0.182 0.000 0.882 453 L CB 0.069 42.082 42.059 -0.077 0.000 1.133 453 L HN 0.579 nan 8.230 nan 0.000 0.483 454 S N 2.955 118.848 115.700 0.321 0.000 2.661 454 S HA 0.882 5.353 4.470 0.001 0.000 0.285 454 S C -0.851 173.978 174.600 0.383 0.000 1.138 454 S CA -0.801 57.547 58.200 0.247 0.000 0.855 454 S CB 2.389 65.636 63.200 0.078 0.000 1.136 454 S HN 0.448 nan 8.310 nan 0.000 0.484 455 F N -1.371 118.664 119.950 0.143 0.000 2.665 455 F HA 0.780 5.308 4.527 0.001 0.000 0.308 455 F C -1.076 174.714 175.800 -0.017 0.000 1.112 455 F CA -1.031 56.994 58.000 0.042 0.000 0.972 455 F CB 1.315 40.242 39.000 -0.122 0.000 1.295 455 F HN 0.803 nan 8.300 nan 0.000 0.440 456 K N 1.102 121.589 120.400 0.145 0.000 2.123 456 K HA 0.731 5.052 4.320 0.001 0.000 0.259 456 K C -1.116 175.487 176.600 0.005 0.000 0.960 456 K CA -0.560 55.680 56.287 -0.079 0.000 0.872 456 K CB 1.799 34.234 32.500 -0.109 0.000 1.079 456 K HN 0.874 nan 8.250 nan 0.000 0.440 457 T N 3.468 117.854 114.554 -0.280 0.000 2.779 457 T HA 0.455 4.805 4.350 0.001 0.000 0.280 457 T C -1.105 173.335 174.700 -0.433 0.000 0.987 457 T CA -0.441 61.568 62.100 -0.151 0.000 0.966 457 T CB 0.242 69.035 68.868 -0.125 0.000 0.933 457 T HN 0.264 nan 8.240 nan 0.000 0.442 458 F N 2.087 122.021 119.950 -0.027 0.000 2.449 458 F HA 0.581 5.108 4.527 0.001 0.000 0.342 458 F C 1.336 177.119 175.800 -0.028 0.000 1.127 458 F CA -0.399 57.583 58.000 -0.030 0.000 0.975 458 F CB 1.043 40.027 39.000 -0.026 0.000 1.146 458 F HN 0.892 nan 8.300 nan 0.000 0.444 459 G N 2.695 111.540 108.800 0.074 0.000 2.652 459 G HA2 -0.330 3.631 3.960 0.001 0.000 0.318 459 G HA3 -0.330 3.631 3.960 0.001 0.000 0.318 459 G C 0.946 175.862 174.900 0.026 0.000 1.295 459 G CA 0.598 45.725 45.100 0.045 0.000 0.999 459 G HN 0.548 nan 8.290 nan 0.000 0.548 460 E N 1.652 121.873 120.200 0.036 0.000 2.474 460 E HA 0.478 4.828 4.350 0.001 0.000 0.195 460 E C 1.565 178.189 176.600 0.039 0.000 1.039 460 E CA 0.658 57.073 56.400 0.024 0.000 0.881 460 E CB -0.027 29.686 29.700 0.022 0.000 0.970 460 E HN 0.861 nan 8.360 nan 0.000 0.486 461 A N 1.023 123.882 122.820 0.064 0.000 2.466 461 A HA 0.175 4.496 4.320 0.001 0.000 0.238 461 A C 0.419 178.039 177.584 0.060 0.000 1.074 461 A CA -0.016 52.063 52.037 0.070 0.000 0.774 461 A CB 0.053 19.110 19.000 0.094 0.000 1.015 461 A HN 0.174 nan 8.150 nan 0.000 0.498 462 I N 2.537 123.138 120.570 0.051 0.000 2.352 462 I HA 0.249 4.420 4.170 0.001 0.000 0.290 462 I C -2.259 173.858 176.117 0.001 0.000 1.036 462 I CA -1.778 59.547 61.300 0.043 0.000 1.336 462 I CB 1.385 39.412 38.000 0.046 0.000 1.407 462 I HN 0.349 nan 8.210 nan 0.000 0.497 463 P HA 0.188 nan 4.420 nan 0.000 0.292 463 P C -1.901 175.189 177.300 -0.350 0.000 1.326 463 P CA -1.647 61.346 63.100 -0.178 0.000 0.787 463 P CB 0.635 32.232 31.700 -0.171 0.000 0.903 464 P HA -0.277 nan 4.420 nan 0.000 0.216 464 P C 1.025 177.964 177.300 -0.603 0.000 1.154 464 P CA 1.828 64.678 63.100 -0.417 0.000 0.865 464 P CB 0.211 31.647 31.700 -0.440 0.000 0.789 465 Q N -0.937 118.209 119.800 -1.091 0.000 2.030 465 Q HA -0.201 4.139 4.340 0.001 0.000 0.204 465 Q C 2.384 177.753 176.000 -1.052 0.000 0.986 465 Q CA 1.561 56.498 55.803 -1.444 0.000 0.843 465 Q CB -1.573 25.795 28.738 -2.284 0.000 0.904 465 Q HN 0.274 nan 8.270 nan 0.000 0.420 466 Y N 0.975 120.524 120.300 -1.253 0.000 2.114 466 Y HA -0.300 4.251 4.550 0.001 0.000 0.282 466 Y C 2.211 177.904 175.900 -0.344 0.000 1.165 466 Y CA 1.475 59.139 58.100 -0.727 0.000 1.148 466 Y CB -0.803 37.352 38.460 -0.507 0.000 0.972 466 Y HN 0.112 nan 8.280 nan 0.000 0.504 467 A N 0.500 123.117 122.820 -0.338 0.000 1.873 467 A HA -0.244 4.076 4.320 0.001 0.000 0.218 467 A C 2.378 179.834 177.584 -0.214 0.000 1.193 467 A CA 2.352 54.235 52.037 -0.257 0.000 0.629 467 A CB -1.288 17.638 19.000 -0.123 0.000 0.826 467 A HN 0.582 nan 8.150 nan 0.000 0.447 468 I N -0.656 119.822 120.570 -0.153 0.000 2.163 468 I HA -0.311 3.859 4.170 0.001 0.000 0.243 468 I C 2.529 178.624 176.117 -0.038 0.000 1.085 468 I CA 1.894 63.196 61.300 0.004 0.000 1.347 468 I CB -0.364 37.705 38.000 0.114 0.000 1.044 468 I HN 0.319 nan 8.210 nan 0.000 0.408 469 K N 0.382 120.706 120.400 -0.128 0.000 2.063 469 K HA -0.160 4.160 4.320 0.001 0.000 0.208 469 K C 1.993 178.454 176.600 -0.231 0.000 1.048 469 K CA 1.455 57.663 56.287 -0.132 0.000 0.928 469 K CB -0.272 32.191 32.500 -0.061 0.000 0.713 469 K HN 0.178 nan 8.250 nan 0.000 0.442 470 V N 1.480 121.174 119.914 -0.367 0.000 2.490 470 V HA -0.213 3.907 4.120 0.001 0.000 0.250 470 V C 2.094 178.077 176.094 -0.185 0.000 1.061 470 V CA 1.275 63.372 62.300 -0.338 0.000 1.064 470 V CB -0.414 31.135 31.823 -0.457 0.000 0.670 470 V HN 0.260 nan 8.190 nan 0.000 0.461 471 L N 0.467 121.616 121.223 -0.123 0.000 2.072 471 L HA -0.090 4.250 4.340 0.001 0.000 0.205 471 L C 2.220 179.068 176.870 -0.037 0.000 1.079 471 L CA 2.117 56.947 54.840 -0.016 0.000 0.752 471 L CB -0.884 41.235 42.059 0.099 0.000 0.906 471 L HN 0.342 nan 8.230 nan 0.000 0.436 472 D N -0.371 119.898 120.400 -0.218 0.000 2.123 472 D HA -0.294 4.347 4.640 0.001 0.000 0.196 472 D C 1.914 178.006 176.300 -0.346 0.000 0.992 472 D CA 1.616 55.209 54.000 -0.678 0.000 0.833 472 D CB 0.060 40.321 40.800 -0.898 0.000 0.954 472 D HN 0.640 nan 8.370 nan 0.000 0.455 473 E N 0.099 120.162 120.200 -0.228 0.000 2.012 473 E HA -0.169 4.181 4.350 0.001 0.000 0.197 473 E C 2.608 179.148 176.600 -0.100 0.000 1.007 473 E CA 0.833 57.144 56.400 -0.148 0.000 0.816 473 E CB -0.210 29.415 29.700 -0.125 0.000 0.762 473 E HN 0.313 nan 8.360 nan 0.000 0.451 474 L N 0.559 121.733 121.223 -0.082 0.000 2.265 474 L HA -0.120 4.221 4.340 0.001 0.000 0.215 474 L C 2.475 179.330 176.870 -0.026 0.000 1.117 474 L CA 1.567 56.377 54.840 -0.050 0.000 0.782 474 L CB -0.512 41.517 42.059 -0.049 0.000 0.914 474 L HN 0.358 nan 8.230 nan 0.000 0.441 475 T N -5.660 108.887 114.554 -0.011 0.000 3.086 475 T HA 0.046 4.396 4.350 0.001 0.000 0.250 475 T C 0.708 175.420 174.700 0.019 0.000 1.074 475 T CA 0.204 62.324 62.100 0.034 0.000 0.988 475 T CB 0.053 68.992 68.868 0.118 0.000 0.988 475 T HN 0.220 nan 8.240 nan 0.000 0.530 476 D N 1.363 121.742 120.400 -0.036 0.000 2.837 476 D HA -0.138 4.502 4.640 0.001 0.000 0.230 476 D C 1.169 177.441 176.300 -0.047 0.000 1.152 476 D CA 1.310 55.281 54.000 -0.049 0.000 0.736 476 D CB -1.650 39.139 40.800 -0.018 0.000 1.084 476 D HN 0.883 nan 8.370 nan 0.000 0.429 477 G N -0.082 108.661 108.800 -0.095 0.000 2.233 477 G HA2 -0.403 3.557 3.960 0.001 0.000 0.270 477 G HA3 -0.403 3.557 3.960 0.001 0.000 0.270 477 G C 0.915 175.910 174.900 0.159 0.000 1.011 477 G CA 0.857 45.928 45.100 -0.049 0.000 0.762 477 G HN 0.566 nan 8.290 nan 0.000 0.511 478 K N -0.369 120.123 120.400 0.154 0.000 2.358 478 K HA 0.504 4.825 4.320 0.001 0.000 0.200 478 K C 1.254 177.947 176.600 0.154 0.000 1.030 478 K CA 0.424 56.794 56.287 0.138 0.000 1.097 478 K CB 0.857 33.407 32.500 0.083 0.000 0.862 478 K HN 0.507 nan 8.250 nan 0.000 0.534 479 A N 1.558 124.503 122.820 0.208 0.000 2.354 479 A HA 0.380 4.700 4.320 0.001 0.000 0.269 479 A C -0.028 177.613 177.584 0.096 0.000 1.109 479 A CA -0.490 51.630 52.037 0.139 0.000 0.800 479 A CB 0.108 19.196 19.000 0.146 0.000 1.045 479 A HN 0.197 nan 8.150 nan 0.000 0.489 480 I N 3.463 124.081 120.570 0.079 0.000 2.379 480 I HA 0.120 4.290 4.170 0.001 0.000 0.290 480 I C -0.414 175.733 176.117 0.051 0.000 1.063 480 I CA -0.117 61.230 61.300 0.078 0.000 1.351 480 I CB 0.465 38.497 38.000 0.053 0.000 1.410 480 I HN 0.379 nan 8.210 nan 0.000 0.505 481 I N 5.986 126.606 120.570 0.083 0.000 2.336 481 I HA 0.255 4.425 4.170 0.001 0.000 0.292 481 I C 0.458 176.575 176.117 0.000 0.000 0.991 481 I CA -0.110 61.236 61.300 0.077 0.000 1.227 481 I CB 1.420 39.544 38.000 0.208 0.000 1.366 481 I HN 0.553 nan 8.210 nan 0.000 0.466 482 S N 4.597 120.284 115.700 -0.022 0.000 2.568 482 S HA 0.850 5.320 4.470 0.001 0.000 0.302 482 S C -0.278 174.303 174.600 -0.031 0.000 1.082 482 S CA -0.448 57.702 58.200 -0.083 0.000 1.009 482 S CB 2.394 65.538 63.200 -0.093 0.000 1.069 482 S HN 0.598 nan 8.310 nan 0.000 0.500 483 T N 1.097 115.626 114.554 -0.041 0.000 2.864 483 T HA 0.739 5.089 4.350 0.001 0.000 0.299 483 T C 0.596 175.384 174.700 0.147 0.000 1.166 483 T CA -0.354 61.777 62.100 0.052 0.000 1.007 483 T CB 1.458 70.268 68.868 -0.096 0.000 1.219 483 T HN 0.951 nan 8.240 nan 0.000 0.506 484 G N 0.127 109.127 108.800 0.334 0.000 2.714 484 G HA2 0.621 4.582 3.960 0.001 0.000 0.197 484 G HA3 0.621 4.582 3.960 0.001 0.000 0.197 484 G C -1.014 173.927 174.900 0.067 0.000 1.449 484 G CA -0.409 44.867 45.100 0.293 0.000 1.065 484 G HN 0.659 nan 8.290 nan 0.000 0.575 485 V N -0.277 119.704 119.914 0.112 0.000 2.638 485 V HA 0.811 4.932 4.120 0.001 0.000 0.306 485 V C 0.602 176.663 176.094 -0.056 0.000 1.052 485 V CA 0.604 62.852 62.300 -0.085 0.000 0.885 485 V CB 0.861 32.627 31.823 -0.094 0.000 0.999 485 V HN 1.759 nan 8.190 nan 0.000 0.424 486 G N 3.413 112.082 108.800 -0.218 0.000 2.278 486 G HA2 0.000 3.961 3.960 0.001 0.000 0.265 486 G HA3 0.000 3.961 3.960 0.001 0.000 0.265 486 G C 0.041 174.738 174.900 -0.339 0.000 1.329 486 G CA 0.056 45.056 45.100 -0.168 0.000 1.017 486 G HN 0.463 nan 8.290 nan 0.000 0.472 487 Q N -0.796 118.811 119.800 -0.321 0.000 2.002 487 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 487 Q C 2.250 177.740 176.000 -0.849 0.000 0.988 487 Q CA 2.578 57.933 55.803 -0.747 0.000 0.843 487 Q CB -0.401 27.870 28.738 -0.777 0.000 0.908 487 Q HN 0.884 nan 8.270 nan 0.000 0.420 488 H N -0.012 118.880 119.070 -0.296 0.000 2.460 488 H HA -0.189 4.367 4.556 0.001 0.000 0.297 488 H C 1.996 177.379 175.328 0.091 0.000 1.103 488 H CA 1.709 57.817 56.048 0.099 0.000 1.292 488 H CB -0.248 29.614 29.762 0.167 0.000 1.376 488 H HN 0.344 nan 8.280 nan 0.000 0.531 489 Q N -0.069 119.243 119.800 -0.813 0.000 2.049 489 Q HA -0.114 4.226 4.340 0.001 0.000 0.198 489 Q C 1.698 177.645 176.000 -0.087 0.000 0.971 489 Q CA 1.422 56.962 55.803 -0.438 0.000 0.833 489 Q CB 0.079 28.544 28.738 -0.455 0.000 0.896 489 Q HN 0.432 nan 8.270 nan 0.000 0.434 490 M N -0.597 118.846 119.600 -0.261 0.000 2.175 490 M HA -0.137 4.343 4.480 0.001 0.000 0.264 490 M C 1.700 178.026 176.300 0.043 0.000 1.063 490 M CA 1.006 56.197 55.300 -0.182 0.000 1.119 490 M CB -1.195 31.153 32.600 -0.420 0.000 1.377 490 M HN 0.391 nan 8.290 nan 0.000 0.415 491 W N 0.527 121.916 121.300 0.149 0.000 2.381 491 W HA 0.044 4.705 4.660 0.001 0.000 0.301 491 W C 2.657 179.358 176.519 0.303 0.000 1.205 491 W CA 1.338 58.842 57.345 0.265 0.000 1.285 491 W CB -1.522 28.010 29.460 0.119 0.000 1.133 491 W HN 0.288 nan 8.180 nan 0.000 0.521 492 A N 0.543 123.637 122.820 0.457 0.000 1.978 492 A HA -0.036 4.284 4.320 0.001 0.000 0.220 492 A C 2.228 180.011 177.584 0.333 0.000 1.170 492 A CA 2.630 54.934 52.037 0.444 0.000 0.636 492 A CB -0.897 18.402 19.000 0.499 0.000 0.810 492 A HN 0.142 nan 8.150 nan 0.000 0.448 493 A N -0.956 121.935 122.820 0.118 0.000 1.930 493 A HA -0.093 4.228 4.320 0.001 0.000 0.215 493 A C 2.112 179.670 177.584 -0.044 0.000 1.176 493 A CA 1.387 53.252 52.037 -0.286 0.000 0.632 493 A CB -0.356 18.444 19.000 -0.333 0.000 0.819 493 A HN 0.637 nan 8.150 nan 0.000 0.445 494 Q N -1.630 118.238 119.800 0.113 0.000 2.123 494 Q HA 0.041 4.381 4.340 0.001 0.000 0.196 494 Q C 0.394 176.255 176.000 -0.231 0.000 0.958 494 Q CA 0.970 56.752 55.803 -0.036 0.000 0.841 494 Q CB -0.037 28.724 28.738 0.038 0.000 0.915 494 Q HN 0.687 nan 8.270 nan 0.000 0.455 495 F N -0.623 119.388 119.950 0.101 0.000 2.730 495 F HA 0.247 4.775 4.527 0.001 0.000 0.295 495 F C -0.353 175.450 175.800 0.005 0.000 1.143 495 F CA -0.388 57.637 58.000 0.041 0.000 1.367 495 F CB 0.141 39.161 39.000 0.033 0.000 0.970 495 F HN -0.045 nan 8.300 nan 0.000 0.514 496 Y N 0.380 120.651 120.300 -0.048 0.000 2.442 496 Y HA 0.444 4.994 4.550 0.001 0.000 0.344 496 Y C -0.656 174.973 175.900 -0.452 0.000 0.976 496 Y CA -1.192 56.747 58.100 -0.269 0.000 1.040 496 Y CB 1.166 39.399 38.460 -0.378 0.000 1.228 496 Y HN -0.153 nan 8.280 nan 0.000 0.451 497 N N 5.432 123.882 118.700 -0.417 0.000 2.546 497 N HA 0.157 4.898 4.740 0.001 0.000 0.238 497 N C -1.702 173.723 175.510 -0.142 0.000 0.984 497 N CA -0.310 52.613 53.050 -0.210 0.000 0.935 497 N CB 0.600 38.989 38.487 -0.163 0.000 1.122 497 N HN 0.516 nan 8.380 nan 0.000 0.510 498 Y N 1.385 121.818 120.300 0.221 0.000 2.377 498 Y HA 0.122 4.672 4.550 0.001 0.000 0.330 498 Y C 1.797 177.764 175.900 0.111 0.000 1.108 498 Y CA -0.372 57.853 58.100 0.208 0.000 1.308 498 Y CB 1.031 39.576 38.460 0.141 0.000 1.216 498 Y HN 0.164 nan 8.280 nan 0.000 0.518 499 K N 2.017 122.545 120.400 0.214 0.000 2.137 499 K HA 0.083 4.404 4.320 0.001 0.000 0.202 499 K C 0.124 176.796 176.600 0.121 0.000 1.052 499 K CA 0.985 57.343 56.287 0.119 0.000 0.961 499 K CB 0.131 32.686 32.500 0.091 0.000 0.741 499 K HN 0.541 nan 8.250 nan 0.000 0.452 500 K N -0.092 120.406 120.400 0.163 0.000 2.495 500 K HA 0.450 4.770 4.320 0.001 0.000 0.268 500 K C -2.740 173.951 176.600 0.151 0.000 1.008 500 K CA -2.173 54.195 56.287 0.135 0.000 0.882 500 K CB 1.019 33.583 32.500 0.107 0.000 1.443 500 K HN -0.262 nan 8.250 nan 0.000 0.447 501 P HA 0.286 nan 4.420 nan 0.000 0.286 501 P C -0.476 176.882 177.300 0.096 0.000 1.293 501 P CA -0.217 62.947 63.100 0.107 0.000 0.770 501 P CB 0.366 32.118 31.700 0.087 0.000 1.206 502 R N -2.020 118.526 120.500 0.075 0.000 4.016 502 R HA -0.234 4.107 4.340 0.001 0.000 0.385 502 R C 1.165 177.504 176.300 0.066 0.000 1.158 502 R CA 1.480 57.610 56.100 0.051 0.000 1.117 502 R CB -2.572 27.752 30.300 0.039 0.000 1.635 502 R HN 0.545 nan 8.270 nan 0.000 0.560 503 Q N -1.391 118.477 119.800 0.113 0.000 2.378 503 Q HA 0.056 4.396 4.340 0.001 0.000 0.229 503 Q C -0.411 175.691 176.000 0.170 0.000 0.882 503 Q CA 0.042 55.946 55.803 0.168 0.000 0.936 503 Q CB 0.548 29.453 28.738 0.278 0.000 1.092 503 Q HN 0.436 nan 8.270 nan 0.000 0.535 504 W N 2.039 123.222 121.300 -0.195 0.000 2.362 504 W HA 0.445 5.105 4.660 0.001 0.000 0.316 504 W C -2.060 174.351 176.519 -0.180 0.000 1.024 504 W CA -0.588 56.530 57.345 -0.378 0.000 1.270 504 W CB 0.522 29.488 29.460 -0.824 0.000 1.273 504 W HN -0.082 nan 8.180 nan 0.000 0.424 505 L N 6.475 127.360 121.223 -0.564 0.000 2.337 505 L HA 0.368 4.708 4.340 0.001 0.000 0.269 505 L C 0.044 176.518 176.870 -0.660 0.000 1.018 505 L CA -0.321 54.243 54.840 -0.460 0.000 0.876 505 L CB 1.120 43.098 42.059 -0.136 0.000 1.236 505 L HN 0.235 nan 8.230 nan 0.000 0.436 506 S N 0.797 115.901 115.700 -0.994 0.000 2.549 506 S HA 0.417 4.888 4.470 0.001 0.000 0.280 506 S C -0.493 173.571 174.600 -0.893 0.000 1.109 506 S CA -0.434 57.183 58.200 -0.972 0.000 0.905 506 S CB 2.219 64.656 63.200 -1.273 0.000 1.081 506 S HN 0.492 nan 8.310 nan 0.000 0.477 507 S N 2.617 117.653 115.700 -1.106 0.000 2.405 507 S HA 0.445 4.916 4.470 0.001 0.000 0.291 507 S C 0.987 175.307 174.600 -0.467 0.000 1.137 507 S CA 0.030 57.664 58.200 -0.944 0.000 1.061 507 S CB -0.131 62.420 63.200 -1.081 0.000 1.001 507 S HN 0.862 nan 8.310 nan 0.000 0.507 508 G N 3.645 112.255 108.800 -0.317 0.000 2.720 508 G HA2 0.209 4.170 3.960 0.001 0.000 0.204 508 G HA3 0.209 4.170 3.960 0.001 0.000 0.204 508 G C 1.169 176.000 174.900 -0.115 0.000 1.113 508 G CA 0.364 45.369 45.100 -0.158 0.000 0.805 508 G HN 0.768 nan 8.290 nan 0.000 0.536 509 G N 0.799 109.526 108.800 -0.121 0.000 2.396 509 G HA2 0.020 3.981 3.960 0.001 0.000 0.214 509 G HA3 0.020 3.981 3.960 0.001 0.000 0.214 509 G C 1.613 176.464 174.900 -0.082 0.000 1.166 509 G CA 1.046 46.098 45.100 -0.080 0.000 0.793 509 G HN 0.355 nan 8.290 nan 0.000 0.533 510 L N 0.173 121.330 121.223 -0.110 0.000 2.408 510 L HA 0.428 4.769 4.340 0.001 0.000 0.215 510 L C 1.665 178.466 176.870 -0.115 0.000 1.081 510 L CA 1.416 56.202 54.840 -0.092 0.000 0.840 510 L CB -0.022 41.993 42.059 -0.073 0.000 1.002 510 L HN 0.362 nan 8.230 nan 0.000 0.468 511 G N 0.839 109.536 108.800 -0.172 0.000 2.359 511 G HA2 -0.179 3.782 3.960 0.001 0.000 0.298 511 G HA3 -0.179 3.782 3.960 0.001 0.000 0.298 511 G C 0.306 175.111 174.900 -0.159 0.000 1.030 511 G CA 0.250 45.238 45.100 -0.186 0.000 1.149 511 G HN 0.818 nan 8.290 nan 0.000 0.512 512 A N 1.456 124.164 122.820 -0.187 0.000 2.354 512 A HA 0.734 5.054 4.320 0.001 0.000 0.281 512 A C 0.895 178.432 177.584 -0.078 0.000 1.174 512 A CA -0.100 51.885 52.037 -0.087 0.000 0.828 512 A CB 0.305 19.309 19.000 0.008 0.000 1.099 512 A HN 0.640 nan 8.150 nan 0.000 0.516 513 M N 1.803 121.397 119.600 -0.010 0.000 2.245 513 M HA 0.365 4.845 4.480 0.001 0.000 0.330 513 M C 1.438 177.784 176.300 0.075 0.000 1.098 513 M CA 1.611 56.925 55.300 0.022 0.000 1.172 513 M CB 0.469 33.080 32.600 0.018 0.000 1.467 513 M HN 1.282 nan 8.290 nan 0.000 0.454 514 G N 1.280 110.121 108.800 0.068 0.000 2.159 514 G HA2 -0.300 3.660 3.960 0.001 0.000 0.256 514 G HA3 -0.300 3.660 3.960 0.001 0.000 0.256 514 G C 0.343 175.302 174.900 0.097 0.000 0.977 514 G CA 0.494 45.639 45.100 0.074 0.000 0.652 514 G HN 0.786 nan 8.290 nan 0.000 0.531 515 F N 1.776 121.567 119.950 -0.265 0.000 2.128 515 F HA 0.221 4.749 4.527 0.001 0.000 0.295 515 F C 2.465 178.085 175.800 -0.300 0.000 1.100 515 F CA 2.468 60.077 58.000 -0.652 0.000 1.260 515 F CB -0.647 37.897 39.000 -0.760 0.000 1.009 515 F HN 0.188 nan 8.300 nan 0.000 0.476 516 G N 1.467 110.228 108.800 -0.065 0.000 2.764 516 G HA2 -0.399 3.561 3.960 0.001 0.000 0.219 516 G HA3 -0.399 3.561 3.960 0.001 0.000 0.219 516 G C 1.597 176.413 174.900 -0.139 0.000 1.259 516 G CA 1.484 46.540 45.100 -0.072 0.000 0.793 516 G HN 0.453 nan 8.290 nan 0.000 0.633 517 L N 2.303 123.498 121.223 -0.047 0.000 1.990 517 L HA -0.011 4.330 4.340 0.001 0.000 0.213 517 L C 0.330 177.134 176.870 -0.111 0.000 1.072 517 L CA 2.527 57.349 54.840 -0.030 0.000 0.755 517 L CB -1.184 40.858 42.059 -0.029 0.000 0.889 517 L HN 0.185 nan 8.230 nan 0.000 0.432 518 P HA -0.176 nan 4.420 nan 0.000 0.215 518 P C 1.572 178.706 177.300 -0.277 0.000 1.157 518 P CA 2.146 65.145 63.100 -0.169 0.000 0.868 518 P CB -0.249 31.400 31.700 -0.085 0.000 0.788 519 A N -0.025 122.495 122.820 -0.501 0.000 1.940 519 A HA -0.166 4.154 4.320 0.001 0.000 0.219 519 A C 2.331 179.742 177.584 -0.288 0.000 1.176 519 A CA 2.243 53.921 52.037 -0.598 0.000 0.631 519 A CB -1.654 16.660 19.000 -1.143 0.000 0.814 519 A HN 0.210 nan 8.150 nan 0.000 0.446 520 A N -0.192 122.510 122.820 -0.197 0.000 1.969 520 A HA -0.035 4.286 4.320 0.001 0.000 0.218 520 A C 2.087 179.652 177.584 -0.032 0.000 1.169 520 A CA 1.386 53.375 52.037 -0.080 0.000 0.635 520 A CB -0.550 18.430 19.000 -0.032 0.000 0.810 520 A HN 0.518 nan 8.150 nan 0.000 0.445 521 I N -0.396 120.150 120.570 -0.040 0.000 2.226 521 I HA -0.196 3.974 4.170 0.001 0.000 0.245 521 I C 2.710 178.877 176.117 0.083 0.000 1.100 521 I CA 1.179 62.498 61.300 0.032 0.000 1.374 521 I CB -0.712 37.306 38.000 0.030 0.000 1.057 521 I HN 0.397 nan 8.210 nan 0.000 0.413 522 G N 0.527 109.314 108.800 -0.021 0.000 2.422 522 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 522 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 522 G C 1.858 176.847 174.900 0.148 0.000 1.146 522 G CA 0.853 45.991 45.100 0.064 0.000 0.769 522 G HN 0.491 nan 8.290 nan 0.000 0.547 523 A N 0.536 123.373 122.820 0.028 0.000 1.873 523 A HA 0.017 4.337 4.320 0.001 0.000 0.215 523 A C 2.633 180.238 177.584 0.036 0.000 1.186 523 A CA 2.223 54.264 52.037 0.006 0.000 0.616 523 A CB -0.893 18.096 19.000 -0.019 0.000 0.823 523 A HN 0.402 nan 8.150 nan 0.000 0.442 524 S N -0.635 115.101 115.700 0.061 0.000 2.382 524 S HA -0.129 4.341 4.470 0.001 0.000 0.228 524 S C 1.887 176.547 174.600 0.100 0.000 1.027 524 S CA 1.675 59.918 58.200 0.072 0.000 0.991 524 S CB -0.445 62.800 63.200 0.075 0.000 0.823 524 S HN 0.287 nan 8.310 nan 0.000 0.469 525 V N 1.740 121.758 119.914 0.173 0.000 2.427 525 V HA -0.041 4.079 4.120 0.001 0.000 0.248 525 V C 2.752 178.949 176.094 0.172 0.000 1.051 525 V CA 1.625 64.057 62.300 0.220 0.000 1.048 525 V CB -1.151 30.894 31.823 0.370 0.000 0.666 525 V HN 0.591 nan 8.190 nan 0.000 0.456 526 A N 0.126 122.987 122.820 0.068 0.000 2.066 526 A HA -0.041 4.280 4.320 0.001 0.000 0.218 526 A C 0.890 178.413 177.584 -0.101 0.000 1.157 526 A CA 1.197 53.100 52.037 -0.224 0.000 0.670 526 A CB -0.355 18.299 19.000 -0.578 0.000 0.804 526 A HN 0.645 nan 8.150 nan 0.000 0.453 527 N N -1.079 117.607 118.700 -0.024 0.000 2.750 527 N HA 0.307 5.047 4.740 0.001 0.000 0.253 527 N C -2.613 172.912 175.510 0.025 0.000 1.408 527 N CA -1.067 51.981 53.050 -0.003 0.000 0.780 527 N CB 1.445 39.929 38.487 -0.004 0.000 1.191 527 N HN -0.041 nan 8.380 nan 0.000 0.511 528 P HA -0.159 nan 4.420 nan 0.000 0.215 528 P C -0.211 177.111 177.300 0.037 0.000 1.163 528 P CA 1.340 64.465 63.100 0.041 0.000 0.894 528 P CB 0.210 31.934 31.700 0.040 0.000 0.791 529 D N -0.660 119.758 120.400 0.031 0.000 2.881 529 D HA 0.348 4.988 4.640 0.001 0.000 0.240 529 D C 0.270 176.589 176.300 0.032 0.000 1.249 529 D CA 0.176 54.194 54.000 0.031 0.000 0.839 529 D CB -0.086 40.730 40.800 0.027 0.000 1.042 529 D HN 0.120 nan 8.370 nan 0.000 0.475 530 A N 0.320 123.161 122.820 0.035 0.000 2.454 530 A HA 0.601 4.921 4.320 0.001 0.000 0.302 530 A C -0.323 177.287 177.584 0.043 0.000 1.079 530 A CA -0.749 51.311 52.037 0.039 0.000 0.731 530 A CB 1.365 20.387 19.000 0.038 0.000 1.299 530 A HN 0.166 nan 8.150 nan 0.000 0.413 531 I N 1.758 122.357 120.570 0.049 0.000 2.421 531 I HA 0.246 4.417 4.170 0.001 0.000 0.291 531 I C -0.657 175.492 176.117 0.053 0.000 1.089 531 I CA -0.097 61.233 61.300 0.051 0.000 1.354 531 I CB 0.792 38.827 38.000 0.057 0.000 1.413 531 I HN 0.231 nan 8.210 nan 0.000 0.513 532 V N 7.846 127.790 119.914 0.050 0.000 2.384 532 V HA 0.402 4.523 4.120 0.001 0.000 0.287 532 V C -0.062 176.061 176.094 0.048 0.000 1.020 532 V CA -0.595 61.732 62.300 0.044 0.000 0.850 532 V CB 1.942 33.788 31.823 0.039 0.000 0.987 532 V HN 0.393 nan 8.190 nan 0.000 0.436 533 V N 3.776 123.717 119.914 0.045 0.000 2.525 533 V HA 0.367 4.488 4.120 0.001 0.000 0.299 533 V C -0.677 175.449 176.094 0.052 0.000 1.034 533 V CA -0.659 61.673 62.300 0.053 0.000 0.863 533 V CB 2.048 33.907 31.823 0.060 0.000 0.999 533 V HN 0.986 nan 8.190 nan 0.000 0.423 534 D N 5.017 125.451 120.400 0.057 0.000 2.313 534 D HA 0.372 5.013 4.640 0.001 0.000 0.239 534 D C -0.304 176.044 176.300 0.081 0.000 1.142 534 D CA -0.125 53.913 54.000 0.063 0.000 0.847 534 D CB 0.911 41.751 40.800 0.066 0.000 1.082 534 D HN 0.479 nan 8.370 nan 0.000 0.480 535 I N 4.022 124.667 120.570 0.124 0.000 2.282 535 I HA 0.223 4.394 4.170 0.001 0.000 0.290 535 I C 0.209 176.457 176.117 0.218 0.000 1.090 535 I CA -0.529 60.873 61.300 0.170 0.000 1.231 535 I CB 0.609 38.759 38.000 0.249 0.000 1.434 535 I HN 0.348 nan 8.210 nan 0.000 0.487 536 D N 4.022 124.435 120.400 0.021 0.000 2.384 536 D HA 0.556 5.197 4.640 0.001 0.000 0.250 536 D C 0.005 175.895 176.300 -0.683 0.000 1.029 536 D CA -0.144 53.737 54.000 -0.199 0.000 0.990 536 D CB 2.453 43.247 40.800 -0.010 0.000 1.175 536 D HN 0.508 nan 8.370 nan 0.000 0.532 537 G N -0.434 107.809 108.800 -0.929 0.000 2.441 537 G HA2 0.266 4.227 3.960 0.001 0.000 0.334 537 G HA3 0.266 4.227 3.960 0.001 0.000 0.334 537 G C 0.628 175.430 174.900 -0.163 0.000 1.161 537 G CA -0.516 44.224 45.100 -0.600 0.000 0.935 537 G HN 0.445 nan 8.290 nan 0.000 0.488 538 D N 0.402 120.767 120.400 -0.058 0.000 2.218 538 D HA -0.078 4.562 4.640 0.001 0.000 0.204 538 D C 1.964 178.287 176.300 0.039 0.000 0.976 538 D CA 1.358 55.366 54.000 0.014 0.000 0.853 538 D CB -0.524 40.286 40.800 0.017 0.000 0.939 538 D HN 0.459 nan 8.370 nan 0.000 0.481 539 G N 0.084 108.897 108.800 0.023 0.000 2.404 539 G HA2 -0.173 3.787 3.960 0.001 0.000 0.213 539 G HA3 -0.173 3.787 3.960 0.001 0.000 0.213 539 G C 1.823 176.734 174.900 0.019 0.000 1.189 539 G CA 0.716 45.827 45.100 0.020 0.000 0.796 539 G HN 0.338 nan 8.290 nan 0.000 0.532 540 S N 0.226 115.948 115.700 0.036 0.000 2.382 540 S HA -0.061 4.409 4.470 0.001 0.000 0.228 540 S C 1.868 176.495 174.600 0.044 0.000 1.027 540 S CA 0.946 59.176 58.200 0.050 0.000 0.991 540 S CB -0.312 62.954 63.200 0.110 0.000 0.823 540 S HN 0.372 nan 8.310 nan 0.000 0.469 541 F N 1.926 121.811 119.950 -0.107 0.000 2.084 541 F HA 0.062 4.589 4.527 0.001 0.000 0.296 541 F C 1.917 177.613 175.800 -0.174 0.000 1.111 541 F CA 1.000 58.922 58.000 -0.128 0.000 1.224 541 F CB -0.381 38.541 39.000 -0.130 0.000 0.991 541 F HN 0.102 nan 8.300 nan 0.000 0.471 542 I N -0.079 120.421 120.570 -0.117 0.000 2.657 542 I HA -0.317 3.853 4.170 0.001 0.000 0.261 542 I C 2.197 178.116 176.117 -0.331 0.000 1.212 542 I CA 1.009 62.117 61.300 -0.321 0.000 1.453 542 I CB -0.163 37.742 38.000 -0.158 0.000 1.092 542 I HN 0.320 nan 8.210 nan 0.000 0.452 543 M N -0.153 119.311 119.600 -0.227 0.000 2.296 543 M HA -0.167 4.314 4.480 0.001 0.000 0.265 543 M C 0.713 176.864 176.300 -0.250 0.000 1.064 543 M CA 1.454 56.640 55.300 -0.189 0.000 1.109 543 M CB 0.022 32.560 32.600 -0.103 0.000 1.396 543 M HN 0.216 nan 8.290 nan 0.000 0.430 544 N N -0.917 117.590 118.700 -0.320 0.000 2.305 544 N HA 0.060 4.801 4.740 0.001 0.000 0.248 544 N C 0.859 176.106 175.510 -0.438 0.000 1.290 544 N CA 0.088 52.945 53.050 -0.322 0.000 0.873 544 N CB 0.831 39.190 38.487 -0.214 0.000 1.261 544 N HN 0.077 nan 8.380 nan 0.000 0.504 545 V N 2.044 121.574 119.914 -0.640 0.000 2.428 545 V HA -0.290 3.831 4.120 0.001 0.000 0.255 545 V C 2.549 178.354 176.094 -0.483 0.000 1.080 545 V CA 2.263 64.057 62.300 -0.844 0.000 1.083 545 V CB -0.128 31.064 31.823 -1.052 0.000 0.665 545 V HN 0.457 nan 8.190 nan 0.000 0.461 546 Q N -0.547 119.059 119.800 -0.322 0.000 2.368 546 Q HA -0.231 4.109 4.340 0.001 0.000 0.210 546 Q C 1.544 177.477 176.000 -0.112 0.000 0.982 546 Q CA 1.869 57.572 55.803 -0.166 0.000 0.884 546 Q CB -0.682 27.999 28.738 -0.094 0.000 0.933 546 Q HN 0.674 nan 8.270 nan 0.000 0.460 547 E N 0.913 121.026 120.200 -0.146 0.000 2.478 547 E HA 0.047 4.397 4.350 0.001 0.000 0.198 547 E C 2.068 178.640 176.600 -0.047 0.000 1.046 547 E CA 0.148 56.502 56.400 -0.076 0.000 0.870 547 E CB -0.209 29.439 29.700 -0.086 0.000 0.818 547 E HN 0.449 nan 8.360 nan 0.000 0.527 548 L N 0.253 121.432 121.223 -0.073 0.000 2.083 548 L HA -0.164 4.176 4.340 0.001 0.000 0.209 548 L C 2.422 179.300 176.870 0.015 0.000 1.083 548 L CA 1.125 55.959 54.840 -0.010 0.000 0.752 548 L CB -0.530 41.530 42.059 0.001 0.000 0.899 548 L HN 0.079 nan 8.230 nan 0.000 0.433 549 A N -0.156 122.669 122.820 0.007 0.000 1.908 549 A HA -0.210 4.110 4.320 0.001 0.000 0.218 549 A C 2.366 179.970 177.584 0.033 0.000 1.181 549 A CA 2.398 54.450 52.037 0.024 0.000 0.627 549 A CB -0.901 18.115 19.000 0.025 0.000 0.818 549 A HN 0.413 nan 8.150 nan 0.000 0.445 550 T N 0.731 115.307 114.554 0.037 0.000 2.777 550 T HA -0.101 4.249 4.350 0.001 0.000 0.266 550 T C 1.807 176.540 174.700 0.054 0.000 1.040 550 T CA 1.372 63.505 62.100 0.053 0.000 1.141 550 T CB -0.338 68.570 68.868 0.068 0.000 0.868 550 T HN 0.344 nan 8.240 nan 0.000 0.444 551 I N 1.722 122.321 120.570 0.048 0.000 2.151 551 I HA -0.175 3.995 4.170 0.001 0.000 0.243 551 I C 2.654 178.803 176.117 0.052 0.000 1.080 551 I CA 1.523 62.856 61.300 0.055 0.000 1.339 551 I CB -1.130 36.904 38.000 0.057 0.000 1.039 551 I HN 0.168 nan 8.210 nan 0.000 0.409 552 R N 1.734 122.261 120.500 0.045 0.000 2.061 552 R HA -0.079 4.262 4.340 0.001 0.000 0.230 552 R C 2.219 178.541 176.300 0.036 0.000 1.140 552 R CA 1.775 57.899 56.100 0.040 0.000 0.940 552 R CB -1.172 29.149 30.300 0.034 0.000 0.839 552 R HN 0.176 nan 8.270 nan 0.000 0.429 553 V N 1.653 121.588 119.914 0.034 0.000 2.469 553 V HA -0.170 3.950 4.120 0.001 0.000 0.251 553 V C 1.701 177.814 176.094 0.031 0.000 1.064 553 V CA 2.096 64.413 62.300 0.029 0.000 1.066 553 V CB -0.522 31.317 31.823 0.026 0.000 0.667 553 V HN 0.355 nan 8.190 nan 0.000 0.461 554 E N -0.772 119.453 120.200 0.041 0.000 2.479 554 E HA 0.055 4.405 4.350 0.001 0.000 0.193 554 E C 0.265 176.893 176.600 0.046 0.000 1.049 554 E CA -0.194 56.233 56.400 0.045 0.000 0.870 554 E CB -0.262 29.476 29.700 0.063 0.000 0.944 554 E HN 0.582 nan 8.360 nan 0.000 0.492 555 N N 0.781 119.508 118.700 0.045 0.000 2.671 555 N HA -0.199 4.541 4.740 0.001 0.000 0.261 555 N C -1.002 174.540 175.510 0.053 0.000 1.053 555 N CA 0.632 53.709 53.050 0.045 0.000 0.732 555 N CB -1.344 37.166 38.487 0.038 0.000 0.887 555 N HN 0.185 nan 8.380 nan 0.000 0.546 556 L N 1.162 122.421 121.223 0.061 0.000 2.305 556 L HA 0.397 4.737 4.340 0.001 0.000 0.284 556 L C -1.448 175.463 176.870 0.069 0.000 1.013 556 L CA -1.694 53.186 54.840 0.067 0.000 0.819 556 L CB 1.800 43.905 42.059 0.077 0.000 1.227 556 L HN -0.085 nan 8.230 nan 0.000 0.417 557 P HA -0.012 nan 4.420 nan 0.000 0.262 557 P C -0.063 177.283 177.300 0.077 0.000 1.647 557 P CA 0.067 63.211 63.100 0.072 0.000 0.865 557 P CB -0.221 31.516 31.700 0.061 0.000 1.834 558 V N 2.292 122.254 119.914 0.081 0.000 2.508 558 V HA 0.089 4.209 4.120 0.001 0.000 0.281 558 V C 0.896 177.052 176.094 0.103 0.000 1.041 558 V CA 0.152 62.501 62.300 0.081 0.000 1.016 558 V CB 0.503 32.370 31.823 0.075 0.000 0.984 558 V HN 0.117 nan 8.190 nan 0.000 0.478 559 K N 4.490 124.948 120.400 0.096 0.000 2.265 559 K HA 0.486 4.806 4.320 0.001 0.000 0.267 559 K C -0.823 175.834 176.600 0.096 0.000 0.994 559 K CA -0.531 55.825 56.287 0.115 0.000 0.860 559 K CB 1.804 34.353 32.500 0.083 0.000 1.099 559 K HN 0.406 nan 8.250 nan 0.000 0.448 560 V N 4.444 124.418 119.914 0.101 0.000 2.311 560 V HA 0.190 4.311 4.120 0.001 0.000 0.275 560 V C -0.095 175.999 176.094 -0.001 0.000 1.022 560 V CA -0.903 61.418 62.300 0.035 0.000 0.830 560 V CB 0.966 32.778 31.823 -0.018 0.000 1.012 560 V HN 0.506 nan 8.190 nan 0.000 0.452 561 L N 6.876 128.104 121.223 0.008 0.000 2.352 561 L HA 0.461 4.802 4.340 0.001 0.000 0.272 561 L C -0.295 176.550 176.870 -0.042 0.000 1.109 561 L CA -0.201 54.643 54.840 0.007 0.000 0.952 561 L CB 0.692 42.779 42.059 0.046 0.000 1.314 561 L HN 0.613 nan 8.230 nan 0.000 0.427 562 L N 5.411 126.557 121.223 -0.128 0.000 2.407 562 L HA 0.274 4.615 4.340 0.001 0.000 0.282 562 L C -0.524 176.288 176.870 -0.096 0.000 1.110 562 L CA 0.270 54.989 54.840 -0.202 0.000 0.863 562 L CB 0.192 42.015 42.059 -0.394 0.000 1.207 562 L HN 0.440 nan 8.230 nan 0.000 0.454 563 L N 5.568 126.763 121.223 -0.047 0.000 2.385 563 L HA 0.227 4.567 4.340 0.001 0.000 0.285 563 L C 0.337 177.225 176.870 0.031 0.000 1.125 563 L CA -0.126 54.738 54.840 0.039 0.000 0.890 563 L CB -0.302 41.851 42.059 0.157 0.000 1.251 563 L HN 0.622 nan 8.230 nan 0.000 0.445 564 N N 3.939 122.658 118.700 0.030 0.000 2.420 564 N HA 0.059 4.799 4.740 0.001 0.000 0.249 564 N C 0.270 175.852 175.510 0.119 0.000 1.033 564 N CA -0.149 52.930 53.050 0.049 0.000 0.944 564 N CB 0.779 39.279 38.487 0.022 0.000 1.113 564 N HN 0.542 nan 8.380 nan 0.000 0.502 565 N N 2.916 121.718 118.700 0.170 0.000 2.197 565 N HA 0.002 4.742 4.740 0.001 0.000 0.228 565 N C -0.374 175.340 175.510 0.340 0.000 1.212 565 N CA -0.047 53.159 53.050 0.259 0.000 0.883 565 N CB 0.285 38.958 38.487 0.310 0.000 1.107 565 N HN 0.342 nan 8.380 nan 0.000 0.519 566 Q N -0.693 119.241 119.800 0.224 0.000 2.332 566 Q HA -0.233 4.107 4.340 0.001 0.000 0.222 566 Q C -0.777 175.261 176.000 0.063 0.000 0.758 566 Q CA 1.651 57.546 55.803 0.153 0.000 1.355 566 Q CB -1.952 26.923 28.738 0.228 0.000 1.705 566 Q HN 0.752 nan 8.270 nan 0.000 0.638 567 H N -1.859 117.289 119.070 0.130 0.000 2.960 567 H HA 0.589 5.145 4.556 0.001 0.000 0.303 567 H C 0.109 175.510 175.328 0.122 0.000 1.412 567 H CA -0.817 55.321 56.048 0.149 0.000 1.227 567 H CB 0.712 30.598 29.762 0.206 0.000 1.912 567 H HN -0.036 nan 8.280 nan 0.000 0.583 568 L N 2.128 123.515 121.223 0.274 0.000 2.657 568 L HA 0.225 4.565 4.340 0.001 0.000 0.239 568 L C 1.482 178.462 176.870 0.184 0.000 1.215 568 L CA -0.229 54.712 54.840 0.168 0.000 1.161 568 L CB -0.117 42.009 42.059 0.112 0.000 1.436 568 L HN 0.951 nan 8.230 nan 0.000 0.414 569 G N 1.574 110.499 108.800 0.208 0.000 2.732 569 G HA2 -0.432 3.528 3.960 0.001 0.000 0.222 569 G HA3 -0.432 3.528 3.960 0.001 0.000 0.222 569 G C 1.325 176.297 174.900 0.120 0.000 1.203 569 G CA 1.327 46.539 45.100 0.186 0.000 0.780 569 G HN 0.512 nan 8.290 nan 0.000 0.621 570 M N 0.203 119.824 119.600 0.035 0.000 2.267 570 M HA 0.020 4.500 4.480 0.001 0.000 0.263 570 M C 2.363 178.677 176.300 0.023 0.000 1.063 570 M CA 1.163 56.462 55.300 -0.000 0.000 1.090 570 M CB -0.175 32.360 32.600 -0.109 0.000 1.392 570 M HN 0.086 nan 8.290 nan 0.000 0.422 571 V N 0.251 120.172 119.914 0.011 0.000 2.379 571 V HA -0.207 3.914 4.120 0.001 0.000 0.243 571 V C 2.316 178.510 176.094 0.165 0.000 1.035 571 V CA 1.645 63.955 62.300 0.016 0.000 1.035 571 V CB -0.727 31.087 31.823 -0.014 0.000 0.673 571 V HN 0.700 nan 8.190 nan 0.000 0.457 572 M N -0.205 119.511 119.600 0.192 0.000 2.358 572 M HA -0.201 4.279 4.480 0.001 0.000 0.264 572 M C 2.017 178.482 176.300 0.276 0.000 1.064 572 M CA 1.930 57.373 55.300 0.237 0.000 1.093 572 M CB -0.613 32.145 32.600 0.264 0.000 1.401 572 M HN 0.312 nan 8.290 nan 0.000 0.440 573 Q N 0.091 120.046 119.800 0.259 0.000 2.049 573 Q HA -0.134 4.207 4.340 0.001 0.000 0.198 573 Q C 1.416 177.584 176.000 0.279 0.000 0.971 573 Q CA 1.605 57.495 55.803 0.145 0.000 0.833 573 Q CB -0.216 28.502 28.738 -0.034 0.000 0.896 573 Q HN 0.780 nan 8.270 nan 0.000 0.434 574 W N 1.626 123.022 121.300 0.160 0.000 2.632 574 W HA -0.069 4.591 4.660 0.001 0.000 0.248 574 W C 1.504 178.330 176.519 0.512 0.000 1.259 574 W CA 0.844 58.414 57.345 0.375 0.000 1.288 574 W CB 0.114 29.739 29.460 0.276 0.000 1.136 574 W HN 0.370 nan 8.180 nan 0.000 0.640 575 E N -0.774 119.742 120.200 0.528 0.000 2.127 575 E HA -0.107 4.244 4.350 0.001 0.000 0.191 575 E C 1.452 178.268 176.600 0.362 0.000 0.964 575 E CA 0.973 57.655 56.400 0.471 0.000 0.832 575 E CB -0.232 29.635 29.700 0.277 0.000 0.790 575 E HN 0.166 nan 8.360 nan 0.000 0.465 576 D N 0.706 121.276 120.400 0.283 0.000 2.312 576 D HA -0.070 4.570 4.640 0.001 0.000 0.211 576 D C 1.758 178.116 176.300 0.097 0.000 0.964 576 D CA 0.589 54.714 54.000 0.208 0.000 0.877 576 D CB 0.113 41.088 40.800 0.293 0.000 0.924 576 D HN 0.009 nan 8.370 nan 0.000 0.515 577 R N -0.498 120.011 120.500 0.015 0.000 2.146 577 R HA 0.125 4.465 4.340 0.001 0.000 0.206 577 R C 1.203 177.033 176.300 -0.784 0.000 1.049 577 R CA 0.433 56.265 56.100 -0.446 0.000 1.029 577 R CB -0.024 29.848 30.300 -0.714 0.000 0.949 577 R HN 0.254 nan 8.270 nan 0.000 0.471 578 F N -2.565 117.385 119.950 0.000 0.000 2.817 578 F HA 0.253 4.780 4.527 0.001 0.000 0.333 578 F C 0.253 175.783 175.800 -0.450 0.000 1.085 578 F CA -0.335 57.526 58.000 -0.231 0.000 1.170 578 F CB 0.454 39.249 39.000 -0.341 0.000 1.066 578 F HN -0.150 nan 8.300 nan 0.000 0.564 579 Y N 0.311 120.733 120.300 0.203 0.000 2.715 579 Y HA 0.328 4.878 4.550 0.001 0.000 0.255 579 Y C 0.305 176.264 175.900 0.097 0.000 1.139 579 Y CA -1.492 56.698 58.100 0.151 0.000 1.151 579 Y CB -0.146 38.415 38.460 0.169 0.000 1.201 579 Y HN -0.093 nan 8.280 nan 0.000 0.556 580 K N 0.484 120.970 120.400 0.144 0.000 3.035 580 K HA -0.226 4.094 4.320 0.001 0.000 0.262 580 K C 0.648 177.318 176.600 0.116 0.000 1.024 580 K CA 0.543 56.888 56.287 0.097 0.000 0.748 580 K CB -1.579 30.966 32.500 0.076 0.000 1.247 580 K HN 0.589 nan 8.250 nan 0.000 0.482 581 A N -0.240 122.673 122.820 0.154 0.000 2.687 581 A HA -0.268 4.052 4.320 0.001 0.000 0.299 581 A C -0.055 177.604 177.584 0.126 0.000 1.497 581 A CA 1.220 53.344 52.037 0.146 0.000 0.751 581 A CB -1.423 17.637 19.000 0.100 0.000 1.048 581 A HN 0.623 nan 8.150 nan 0.000 0.464 582 N N 0.551 119.337 118.700 0.145 0.000 2.420 582 N HA 0.341 5.081 4.740 0.001 0.000 0.249 582 N C 0.203 175.752 175.510 0.065 0.000 1.033 582 N CA -0.579 52.529 53.050 0.096 0.000 0.944 582 N CB 0.400 38.951 38.487 0.108 0.000 1.113 582 N HN 0.310 nan 8.380 nan 0.000 0.502 583 R N 2.586 123.113 120.500 0.045 0.000 2.483 583 R HA 0.057 4.397 4.340 0.001 0.000 0.329 583 R C -0.409 175.842 176.300 -0.082 0.000 0.961 583 R CA 0.020 56.137 56.100 0.028 0.000 1.041 583 R CB -0.292 30.032 30.300 0.041 0.000 0.930 583 R HN 0.570 nan 8.270 nan 0.000 0.413 584 A N 3.928 126.698 122.820 -0.082 0.000 3.079 584 A HA 0.274 4.595 4.320 0.001 0.000 0.315 584 A C -0.423 177.083 177.584 -0.130 0.000 1.334 584 A CA -0.699 51.208 52.037 -0.217 0.000 1.048 584 A CB -0.574 18.386 19.000 -0.068 0.000 1.156 584 A HN 0.928 nan 8.150 nan 0.000 0.523 585 H N -0.012 119.098 119.070 0.066 0.000 2.713 585 H HA -0.188 4.368 4.556 0.001 0.000 0.311 585 H C 1.188 176.564 175.328 0.080 0.000 1.175 585 H CA 1.181 57.270 56.048 0.069 0.000 1.143 585 H CB -2.245 27.539 29.762 0.036 0.000 1.434 585 H HN 0.683 nan 8.280 nan 0.000 0.418 586 T N -4.162 110.499 114.554 0.179 0.000 3.069 586 T HA 0.101 4.451 4.350 0.001 0.000 0.252 586 T C 0.342 175.156 174.700 0.189 0.000 1.053 586 T CA -0.349 61.869 62.100 0.196 0.000 0.964 586 T CB 0.284 69.295 68.868 0.239 0.000 1.005 586 T HN 0.268 nan 8.240 nan 0.000 0.532 587 F N 2.516 122.435 119.950 -0.051 0.000 2.445 587 F HA 0.515 5.042 4.527 0.001 0.000 0.359 587 F C 0.582 176.290 175.800 -0.154 0.000 1.101 587 F CA -2.234 55.589 58.000 -0.296 0.000 1.177 587 F CB 0.624 39.493 39.000 -0.218 0.000 1.110 587 F HN -0.044 nan 8.300 nan 0.000 0.522 588 L N 5.589 126.404 121.223 -0.680 0.000 2.607 588 L HA 0.280 4.621 4.340 0.001 0.000 0.228 588 L C 1.378 177.887 176.870 -0.602 0.000 1.123 588 L CA 0.049 54.606 54.840 -0.472 0.000 0.890 588 L CB -0.602 41.327 42.059 -0.217 0.000 1.103 588 L HN 0.741 nan 8.230 nan 0.000 0.468 589 G N -0.723 107.197 108.800 -1.467 0.000 2.525 589 G HA2 0.124 4.085 3.960 0.001 0.000 0.287 589 G HA3 0.124 4.085 3.960 0.001 0.000 0.287 589 G C -1.179 173.381 174.900 -0.568 0.000 1.350 589 G CA -0.268 44.331 45.100 -0.835 0.000 1.039 589 G HN 0.019 nan 8.290 nan 0.000 0.513 590 D N -0.831 119.426 120.400 -0.238 0.000 2.317 590 D HA 0.376 5.017 4.640 0.001 0.000 0.234 590 D C -1.501 174.822 176.300 0.038 0.000 1.112 590 D CA -2.119 51.694 54.000 -0.310 0.000 0.840 590 D CB 1.771 42.104 40.800 -0.778 0.000 1.078 590 D HN -0.101 nan 8.370 nan 0.000 0.486 591 P HA -0.105 nan 4.420 nan 0.000 0.219 591 P C 0.857 178.179 177.300 0.036 0.000 1.146 591 P CA 1.040 64.227 63.100 0.145 0.000 0.808 591 P CB 0.214 31.978 31.700 0.107 0.000 0.779 592 A N -0.353 122.452 122.820 -0.025 0.000 2.121 592 A HA -0.153 4.167 4.320 0.001 0.000 0.218 592 A C 1.040 178.608 177.584 -0.027 0.000 1.154 592 A CA 1.156 53.169 52.037 -0.040 0.000 0.679 592 A CB -0.740 18.213 19.000 -0.078 0.000 0.795 592 A HN 0.419 nan 8.150 nan 0.000 0.458 593 Q N -0.962 118.830 119.800 -0.013 0.000 3.576 593 Q HA 0.181 4.521 4.340 0.001 0.000 0.249 593 Q C -0.346 175.693 176.000 0.065 0.000 0.771 593 Q CA 0.199 56.008 55.803 0.011 0.000 0.897 593 Q CB -0.619 28.115 28.738 -0.006 0.000 1.551 593 Q HN 0.667 nan 8.270 nan 0.000 0.388 594 E N 0.575 120.830 120.200 0.091 0.000 2.501 594 E HA -0.212 4.139 4.350 0.001 0.000 0.203 594 E C 0.001 176.679 176.600 0.129 0.000 1.072 594 E CA 1.604 58.102 56.400 0.163 0.000 0.885 594 E CB -0.092 29.594 29.700 -0.024 0.000 0.813 594 E HN 0.702 nan 8.360 nan 0.000 0.556 595 D N -0.322 120.132 120.400 0.091 0.000 2.392 595 D HA 0.005 4.645 4.640 0.001 0.000 0.206 595 D C 0.351 176.708 176.300 0.095 0.000 1.046 595 D CA -0.147 53.901 54.000 0.080 0.000 0.865 595 D CB 0.180 41.010 40.800 0.050 0.000 0.969 595 D HN -0.063 nan 8.370 nan 0.000 0.509 596 E N 0.685 120.948 120.200 0.104 0.000 2.266 596 E HA 0.294 4.644 4.350 0.001 0.000 0.277 596 E C 0.078 176.767 176.600 0.148 0.000 1.018 596 E CA -0.606 55.858 56.400 0.107 0.000 0.840 596 E CB 1.903 31.657 29.700 0.091 0.000 1.082 596 E HN 0.285 nan 8.360 nan 0.000 0.395 597 I N 3.363 124.011 120.570 0.130 0.000 2.436 597 I HA 0.085 4.255 4.170 0.001 0.000 0.289 597 I C -0.039 176.180 176.117 0.170 0.000 1.083 597 I CA 0.070 61.448 61.300 0.131 0.000 1.372 597 I CB -0.042 38.009 38.000 0.084 0.000 1.408 597 I HN 0.239 nan 8.210 nan 0.000 0.516 598 F N 9.347 129.285 119.950 -0.019 0.000 2.547 598 F HA 0.606 5.133 4.527 0.001 0.000 0.316 598 F C -2.635 173.132 175.800 -0.055 0.000 1.121 598 F CA -2.427 55.546 58.000 -0.044 0.000 0.911 598 F CB 1.892 40.850 39.000 -0.069 0.000 1.179 598 F HN 0.214 nan 8.300 nan 0.000 0.443 599 P HA 0.137 nan 4.420 nan 0.000 0.276 599 P C -1.147 175.970 177.300 -0.305 0.000 1.261 599 P CA -0.489 62.054 63.100 -0.928 0.000 0.800 599 P CB 0.560 31.850 31.700 -0.683 0.000 1.066 600 N N 1.488 120.017 118.700 -0.285 0.000 2.605 600 N HA 0.045 4.785 4.740 0.001 0.000 0.258 600 N C 0.680 176.113 175.510 -0.128 0.000 1.156 600 N CA 0.078 53.041 53.050 -0.144 0.000 1.008 600 N CB -0.246 38.165 38.487 -0.127 0.000 1.354 600 N HN 0.222 nan 8.380 nan 0.000 0.509 601 M N 2.708 122.326 119.600 0.030 0.000 2.435 601 M HA -0.045 4.435 4.480 0.001 0.000 0.262 601 M C 1.518 177.900 176.300 0.136 0.000 1.065 601 M CA 1.001 56.432 55.300 0.219 0.000 1.076 601 M CB -0.158 32.515 32.600 0.122 0.000 1.403 601 M HN 0.528 nan 8.290 nan 0.000 0.454 602 L N -1.563 119.670 121.223 0.017 0.000 2.027 602 L HA -0.204 4.137 4.340 0.001 0.000 0.206 602 L C 2.069 178.933 176.870 -0.011 0.000 1.074 602 L CA 0.997 55.833 54.840 -0.007 0.000 0.745 602 L CB -0.644 41.398 42.059 -0.028 0.000 0.898 602 L HN 0.262 nan 8.230 nan 0.000 0.433 603 L N -1.402 119.776 121.223 -0.074 0.000 2.265 603 L HA -0.212 4.128 4.340 0.001 0.000 0.215 603 L C 2.464 179.286 176.870 -0.079 0.000 1.117 603 L CA 1.244 56.016 54.840 -0.114 0.000 0.782 603 L CB -0.475 41.461 42.059 -0.205 0.000 0.914 603 L HN 0.198 nan 8.230 nan 0.000 0.441 604 F N 0.057 120.007 119.950 0.000 0.000 2.113 604 F HA -0.229 4.298 4.527 0.001 0.000 0.297 604 F C 2.636 178.450 175.800 0.024 0.000 1.103 604 F CA 0.935 58.945 58.000 0.017 0.000 1.248 604 F CB -0.160 38.880 39.000 0.066 0.000 0.999 604 F HN 0.047 nan 8.300 nan 0.000 0.475 605 A N -0.143 122.816 122.820 0.232 0.000 1.930 605 A HA -0.052 4.268 4.320 0.001 0.000 0.217 605 A C 2.280 179.897 177.584 0.055 0.000 1.175 605 A CA 1.367 53.476 52.037 0.120 0.000 0.627 605 A CB -1.128 17.904 19.000 0.053 0.000 0.815 605 A HN 0.328 nan 8.150 nan 0.000 0.443 606 A N 0.137 122.976 122.820 0.033 0.000 1.908 606 A HA 0.109 4.429 4.320 0.001 0.000 0.218 606 A C 2.477 180.072 177.584 0.019 0.000 1.181 606 A CA 2.104 54.144 52.037 0.005 0.000 0.627 606 A CB -1.025 17.966 19.000 -0.015 0.000 0.818 606 A HN 1.097 nan 8.150 nan 0.000 0.445 607 A N -1.632 121.211 122.820 0.039 0.000 2.019 607 A HA -0.128 4.193 4.320 0.001 0.000 0.219 607 A C 1.765 179.378 177.584 0.048 0.000 1.164 607 A CA 1.592 53.656 52.037 0.045 0.000 0.644 607 A CB -0.861 18.183 19.000 0.074 0.000 0.805 607 A HN 0.611 nan 8.150 nan 0.000 0.449 608 C N -0.693 118.640 119.300 0.056 0.000 2.668 608 C HA 0.511 4.971 4.460 0.001 0.000 0.301 608 C C 1.698 176.707 174.990 0.032 0.000 1.351 608 C CA -0.303 58.742 59.018 0.045 0.000 1.757 608 C CB -1.267 26.504 27.740 0.052 0.000 2.179 608 C HN 1.012 nan 8.230 nan 0.000 0.586 609 G N 1.881 110.694 108.800 0.022 0.000 2.283 609 G HA2 -0.270 3.691 3.960 0.001 0.000 0.280 609 G HA3 -0.270 3.691 3.960 0.001 0.000 0.280 609 G C -0.138 174.766 174.900 0.006 0.000 1.029 609 G CA 0.096 45.204 45.100 0.012 0.000 0.840 609 G HN 0.655 nan 8.290 nan 0.000 0.505 610 I N 2.002 122.571 120.570 -0.002 0.000 2.354 610 I HA 0.258 4.428 4.170 0.001 0.000 0.286 610 I C -1.723 174.332 176.117 -0.103 0.000 1.007 610 I CA -2.446 58.838 61.300 -0.026 0.000 1.167 610 I CB 1.692 39.695 38.000 0.005 0.000 1.320 610 I HN -0.087 nan 8.210 nan 0.000 0.458 611 P HA 0.119 nan 4.420 nan 0.000 0.264 611 P C -0.680 176.246 177.300 -0.624 0.000 1.183 611 P CA 0.135 63.066 63.100 -0.281 0.000 0.763 611 P CB 1.235 32.825 31.700 -0.182 0.000 0.807 612 A N 1.978 124.506 122.820 -0.487 0.000 2.552 612 A HA 0.928 5.248 4.320 0.001 0.000 0.288 612 A C -1.224 176.224 177.584 -0.228 0.000 1.193 612 A CA -0.192 51.556 52.037 -0.480 0.000 0.713 612 A CB 1.740 20.611 19.000 -0.216 0.000 1.305 612 A HN 0.676 nan 8.150 nan 0.000 0.424 613 A N -0.481 122.301 122.820 -0.063 0.000 2.586 613 A HA 0.852 5.173 4.320 0.001 0.000 0.290 613 A C -0.846 176.769 177.584 0.052 0.000 1.086 613 A CA -0.376 51.694 52.037 0.055 0.000 0.665 613 A CB 1.127 20.239 19.000 0.186 0.000 1.279 613 A HN 1.346 nan 8.150 nan 0.000 0.423 614 R N -0.425 120.105 120.500 0.050 0.000 2.744 614 R HA 0.783 5.123 4.340 0.001 0.000 0.279 614 R C -1.997 174.330 176.300 0.046 0.000 0.977 614 R CA -0.367 55.757 56.100 0.039 0.000 0.906 614 R CB 2.219 32.535 30.300 0.027 0.000 1.197 614 R HN 0.802 nan 8.270 nan 0.000 0.463 615 V N 2.467 122.406 119.914 0.042 0.000 2.686 615 V HA 0.437 4.558 4.120 0.001 0.000 0.306 615 V C -0.236 175.883 176.094 0.042 0.000 1.065 615 V CA -0.570 61.755 62.300 0.042 0.000 0.894 615 V CB 1.947 33.794 31.823 0.041 0.000 1.004 615 V HN 1.069 nan 8.190 nan 0.000 0.424 616 T N 0.767 115.347 114.554 0.043 0.000 3.048 616 T HA 0.209 4.559 4.350 0.001 0.000 0.254 616 T C 0.465 175.193 174.700 0.046 0.000 0.942 616 T CA -0.163 61.965 62.100 0.046 0.000 0.931 616 T CB 0.330 69.225 68.868 0.045 0.000 1.220 616 T HN 0.491 nan 8.240 nan 0.000 0.503 617 K N 2.333 122.760 120.400 0.044 0.000 2.227 617 K HA 0.343 4.663 4.320 0.001 0.000 0.280 617 K C 0.928 177.559 176.600 0.051 0.000 1.041 617 K CA -0.328 55.984 56.287 0.042 0.000 0.905 617 K CB 1.721 34.242 32.500 0.036 0.000 1.068 617 K HN 0.059 nan 8.250 nan 0.000 0.470 618 K N 2.676 123.107 120.400 0.051 0.000 2.281 618 K HA -0.198 4.122 4.320 0.001 0.000 0.203 618 K C 1.597 178.248 176.600 0.086 0.000 1.046 618 K CA 1.409 57.741 56.287 0.075 0.000 0.938 618 K CB 0.028 32.542 32.500 0.022 0.000 0.737 618 K HN 0.716 nan 8.250 nan 0.000 0.458 619 A N 1.874 124.725 122.820 0.051 0.000 1.898 619 A HA -0.148 4.173 4.320 0.001 0.000 0.216 619 A C 1.134 178.750 177.584 0.054 0.000 1.181 619 A CA 1.814 53.879 52.037 0.047 0.000 0.620 619 A CB -0.333 18.684 19.000 0.028 0.000 0.819 619 A HN 0.627 nan 8.150 nan 0.000 0.442 620 D N -0.686 119.743 120.400 0.048 0.000 2.358 620 D HA 0.154 4.794 4.640 0.001 0.000 0.224 620 D C 1.067 177.392 176.300 0.041 0.000 1.123 620 D CA -0.251 53.774 54.000 0.040 0.000 0.833 620 D CB -0.160 40.660 40.800 0.034 0.000 0.946 620 D HN 0.277 nan 8.370 nan 0.000 0.505 621 L N 0.341 121.599 121.223 0.058 0.000 2.093 621 L HA 0.001 4.341 4.340 0.001 0.000 0.208 621 L C 2.092 178.969 176.870 0.011 0.000 1.085 621 L CA 1.567 56.434 54.840 0.046 0.000 0.755 621 L CB -0.082 42.029 42.059 0.087 0.000 0.904 621 L HN -0.130 nan 8.230 nan 0.000 0.435 622 R N -0.710 119.800 120.500 0.016 0.000 2.062 622 R HA -0.118 4.222 4.340 0.001 0.000 0.231 622 R C 2.246 178.534 176.300 -0.020 0.000 1.136 622 R CA 1.367 57.458 56.100 -0.015 0.000 0.948 622 R CB -0.513 29.786 30.300 -0.000 0.000 0.845 622 R HN 0.390 nan 8.270 nan 0.000 0.430 623 E N 0.713 120.910 120.200 -0.004 0.000 2.097 623 E HA -0.243 4.108 4.350 0.001 0.000 0.196 623 E C 1.966 178.552 176.600 -0.023 0.000 1.000 623 E CA 1.466 57.860 56.400 -0.010 0.000 0.804 623 E CB -0.068 29.635 29.700 0.005 0.000 0.740 623 E HN 0.342 nan 8.360 nan 0.000 0.454 624 A N 1.365 124.179 122.820 -0.011 0.000 1.841 624 A HA -0.210 4.110 4.320 0.001 0.000 0.216 624 A C 2.248 179.795 177.584 -0.062 0.000 1.199 624 A CA 1.646 53.676 52.037 -0.011 0.000 0.621 624 A CB -0.872 18.137 19.000 0.015 0.000 0.835 624 A HN 0.239 nan 8.150 nan 0.000 0.445 625 I N -0.741 119.794 120.570 -0.058 0.000 2.361 625 I HA -0.262 3.909 4.170 0.001 0.000 0.251 625 I C 2.768 178.818 176.117 -0.111 0.000 1.133 625 I CA 1.153 62.403 61.300 -0.082 0.000 1.413 625 I CB -0.350 37.612 38.000 -0.063 0.000 1.073 625 I HN 0.378 nan 8.210 nan 0.000 0.424 626 Q N 0.275 120.022 119.800 -0.090 0.000 2.124 626 Q HA -0.159 4.181 4.340 0.001 0.000 0.202 626 Q C 2.294 178.217 176.000 -0.129 0.000 0.977 626 Q CA 1.866 57.617 55.803 -0.087 0.000 0.850 626 Q CB -0.440 28.264 28.738 -0.056 0.000 0.901 626 Q HN 0.466 nan 8.270 nan 0.000 0.429 627 T N 1.392 115.852 114.554 -0.157 0.000 2.708 627 T HA -0.147 4.204 4.350 0.001 0.000 0.266 627 T C 1.780 176.193 174.700 -0.479 0.000 1.037 627 T CA 1.483 63.451 62.100 -0.220 0.000 1.146 627 T CB -0.251 68.528 68.868 -0.149 0.000 0.865 627 T HN 0.326 nan 8.240 nan 0.000 0.435 628 M N 0.555 119.737 119.600 -0.698 0.000 2.144 628 M HA -0.102 4.378 4.480 0.001 0.000 0.260 628 M C 1.863 177.885 176.300 -0.464 0.000 1.067 628 M CA 1.718 56.376 55.300 -1.070 0.000 1.095 628 M CB -0.308 31.959 32.600 -0.556 0.000 1.365 628 M HN 0.234 nan 8.290 nan 0.000 0.406 629 L N -0.387 120.686 121.223 -0.251 0.000 2.109 629 L HA -0.166 4.174 4.340 0.001 0.000 0.207 629 L C 1.833 178.649 176.870 -0.090 0.000 1.086 629 L CA 0.856 55.625 54.840 -0.119 0.000 0.760 629 L CB -0.691 41.325 42.059 -0.073 0.000 0.910 629 L HN 0.284 nan 8.230 nan 0.000 0.437 630 D N -1.089 119.246 120.400 -0.108 0.000 2.249 630 D HA -0.037 4.604 4.640 0.001 0.000 0.205 630 D C 0.739 177.016 176.300 -0.038 0.000 0.962 630 D CA 0.589 54.553 54.000 -0.059 0.000 0.860 630 D CB -0.013 40.757 40.800 -0.050 0.000 0.955 630 D HN 0.165 nan 8.370 nan 0.000 0.505 631 T N 4.860 119.375 114.554 -0.065 0.000 2.761 631 T HA 0.124 4.474 4.350 0.001 0.000 0.287 631 T C -2.218 172.519 174.700 0.062 0.000 0.931 631 T CA -1.020 61.096 62.100 0.028 0.000 1.164 631 T CB 1.058 69.998 68.868 0.119 0.000 0.876 631 T HN 0.078 nan 8.240 nan 0.000 0.534 632 P HA 0.300 nan 4.420 nan 0.000 0.266 632 P C 0.623 177.971 177.300 0.081 0.000 1.195 632 P CA 0.394 63.529 63.100 0.057 0.000 0.768 632 P CB 0.474 32.201 31.700 0.045 0.000 0.838 633 G N 3.100 111.946 108.800 0.077 0.000 2.610 633 G HA2 -0.097 3.863 3.960 0.001 0.000 0.304 633 G HA3 -0.097 3.863 3.960 0.001 0.000 0.304 633 G C -3.089 171.878 174.900 0.112 0.000 1.309 633 G CA -0.689 44.462 45.100 0.085 0.000 0.906 633 G HN 0.603 nan 8.290 nan 0.000 0.521 634 P HA 0.445 nan 4.420 nan 0.000 0.272 634 P C -1.174 176.232 177.300 0.176 0.000 1.223 634 P CA 0.351 63.523 63.100 0.121 0.000 0.784 634 P CB 1.014 32.765 31.700 0.084 0.000 0.923 635 Y N 1.862 122.185 120.300 0.038 0.000 2.552 635 Y HA 0.503 5.053 4.550 0.001 0.000 0.337 635 Y C -1.630 174.284 175.900 0.023 0.000 1.094 635 Y CA -1.207 56.911 58.100 0.030 0.000 1.028 635 Y CB 1.923 40.397 38.460 0.023 0.000 1.321 635 Y HN 0.272 nan 8.280 nan 0.000 0.456 636 L N 6.446 127.620 121.223 -0.082 0.000 2.404 636 L HA 0.630 4.970 4.340 0.001 0.000 0.272 636 L C -2.406 174.498 176.870 0.057 0.000 0.980 636 L CA -0.770 54.070 54.840 0.000 0.000 0.836 636 L CB 1.482 43.492 42.059 -0.081 0.000 1.238 636 L HN 0.566 nan 8.230 nan 0.000 0.408 637 L N 4.586 125.898 121.223 0.148 0.000 2.294 637 L HA 0.525 4.865 4.340 0.001 0.000 0.283 637 L C -0.910 175.966 176.870 0.009 0.000 1.015 637 L CA -0.077 54.851 54.840 0.145 0.000 0.831 637 L CB 1.158 43.318 42.059 0.168 0.000 1.217 637 L HN 0.725 nan 8.230 nan 0.000 0.420 638 D N 3.734 124.130 120.400 -0.008 0.000 2.441 638 D HA 0.160 4.801 4.640 0.001 0.000 0.221 638 D C -0.753 175.545 176.300 -0.003 0.000 1.156 638 D CA 0.067 54.042 54.000 -0.041 0.000 0.896 638 D CB 0.847 41.623 40.800 -0.040 0.000 1.028 638 D HN 0.299 nan 8.370 nan 0.000 0.509 639 V N 6.419 126.331 119.914 -0.003 0.000 2.304 639 V HA 0.292 4.412 4.120 0.001 0.000 0.269 639 V C -0.281 175.830 176.094 0.028 0.000 1.036 639 V CA -0.846 61.465 62.300 0.017 0.000 0.840 639 V CB 0.204 32.036 31.823 0.015 0.000 1.036 639 V HN 0.348 nan 8.190 nan 0.000 0.466 640 I N 6.481 127.075 120.570 0.039 0.000 2.683 640 I HA 0.166 4.337 4.170 0.001 0.000 0.286 640 I C 0.470 176.626 176.117 0.064 0.000 1.175 640 I CA 0.551 61.886 61.300 0.059 0.000 1.429 640 I CB -0.320 37.718 38.000 0.063 0.000 1.371 640 I HN 0.616 nan 8.210 nan 0.000 0.569 641 C N 7.220 126.573 119.300 0.088 0.000 2.898 641 C HA 0.490 4.950 4.460 0.001 0.000 0.304 641 C C -2.290 172.770 174.990 0.116 0.000 1.237 641 C CA -1.250 57.816 59.018 0.081 0.000 1.529 641 C CB 2.260 30.047 27.740 0.078 0.000 2.021 641 C HN 0.601 nan 8.230 nan 0.000 0.474 642 P HA 0.133 nan 4.420 nan 0.000 0.276 642 P C 0.600 177.941 177.300 0.067 0.000 1.253 642 P CA 0.482 63.616 63.100 0.056 0.000 0.766 642 P CB 0.369 32.025 31.700 -0.074 0.000 0.845 643 H N 5.283 124.373 119.070 0.032 0.000 2.422 643 H HA -0.168 4.388 4.556 0.001 0.000 0.298 643 H C 1.222 176.553 175.328 0.005 0.000 1.098 643 H CA 1.320 57.381 56.048 0.021 0.000 1.315 643 H CB -0.677 28.985 29.762 -0.166 0.000 1.382 643 H HN 0.401 nan 8.280 nan 0.000 0.523 644 Q N 1.236 120.639 119.800 -0.662 0.000 2.268 644 Q HA -0.119 4.221 4.340 0.001 0.000 0.210 644 Q C 0.345 176.231 176.000 -0.191 0.000 0.988 644 Q CA 0.703 56.211 55.803 -0.493 0.000 0.883 644 Q CB -0.476 27.928 28.738 -0.556 0.000 0.911 644 Q HN 0.519 nan 8.270 nan 0.000 0.430 645 E N 1.547 121.732 120.200 -0.025 0.000 2.508 645 E HA -0.023 4.327 4.350 0.001 0.000 0.266 645 E C -0.490 176.401 176.600 0.485 0.000 1.010 645 E CA 0.685 57.199 56.400 0.189 0.000 0.955 645 E CB 0.264 30.099 29.700 0.226 0.000 0.946 645 E HN 0.356 nan 8.360 nan 0.000 0.454 646 H N -0.360 118.922 119.070 0.353 0.000 2.717 646 H HA 0.296 4.852 4.556 0.001 0.000 0.366 646 H C -0.716 174.898 175.328 0.476 0.000 1.132 646 H CA -1.014 55.240 56.048 0.344 0.000 1.180 646 H CB 1.723 31.614 29.762 0.216 0.000 1.678 646 H HN 0.122 nan 8.280 nan 0.000 0.537 647 V N 5.882 126.036 119.914 0.400 0.000 2.387 647 V HA 0.125 4.245 4.120 0.001 0.000 0.260 647 V C 0.058 176.387 176.094 0.391 0.000 1.054 647 V CA 0.186 62.692 62.300 0.342 0.000 0.967 647 V CB -0.321 31.413 31.823 -0.149 0.000 1.036 647 V HN 0.401 nan 8.190 nan 0.000 0.481 648 L N 7.288 128.780 121.223 0.448 0.000 2.333 648 L HA 0.644 4.985 4.340 0.001 0.000 0.263 648 L C -2.145 174.927 176.870 0.337 0.000 1.014 648 L CA -1.930 53.120 54.840 0.350 0.000 0.820 648 L CB 2.862 45.103 42.059 0.305 0.000 1.352 648 L HN 0.379 nan 8.230 nan 0.000 0.421 649 P HA 0.168 nan 4.420 nan 0.000 0.275 649 P C -1.270 176.115 177.300 0.141 0.000 1.266 649 P CA -0.426 62.780 63.100 0.176 0.000 0.793 649 P CB 1.330 33.105 31.700 0.126 0.000 1.074 650 M N 1.379 121.007 119.600 0.047 0.000 2.206 650 M HA 0.359 4.840 4.480 0.001 0.000 0.272 650 M C -1.754 174.482 176.300 -0.107 0.000 1.012 650 M CA -0.607 54.645 55.300 -0.080 0.000 0.986 650 M CB 1.140 33.741 32.600 0.002 0.000 1.740 650 M HN 0.173 nan 8.290 nan 0.000 0.472 651 I N 8.255 128.733 120.570 -0.154 0.000 2.291 651 I HA 0.338 4.509 4.170 0.001 0.000 0.290 651 I C -1.744 174.309 176.117 -0.107 0.000 1.050 651 I CA -1.675 59.566 61.300 -0.097 0.000 1.245 651 I CB 1.167 39.134 38.000 -0.056 0.000 1.405 651 I HN 0.467 nan 8.210 nan 0.000 0.478 652 P HA -0.060 nan 4.420 nan 0.000 0.269 652 P C -0.317 176.916 177.300 -0.113 0.000 1.205 652 P CA -0.067 62.993 63.100 -0.067 0.000 0.780 652 P CB 0.388 32.131 31.700 0.071 0.000 0.858 653 S N 0.931 116.513 115.700 -0.196 0.000 2.555 653 S HA 0.295 4.765 4.470 0.001 0.000 0.293 653 S C 1.599 176.159 174.600 -0.066 0.000 1.248 653 S CA 0.915 59.054 58.200 -0.102 0.000 1.096 653 S CB -0.867 62.283 63.200 -0.083 0.000 0.881 653 S HN 0.939 nan 8.310 nan 0.000 0.498 654 G N 2.832 111.611 108.800 -0.034 0.000 2.199 654 G HA2 -0.208 3.752 3.960 0.001 0.000 0.254 654 G HA3 -0.208 3.752 3.960 0.001 0.000 0.254 654 G C 0.543 175.435 174.900 -0.012 0.000 0.982 654 G CA -0.036 45.051 45.100 -0.020 0.000 0.632 654 G HN 1.076 nan 8.290 nan 0.000 0.529 655 G N -0.997 107.792 108.800 -0.018 0.000 2.479 655 G HA2 0.548 4.508 3.960 0.001 0.000 0.275 655 G HA3 0.548 4.508 3.960 0.001 0.000 0.275 655 G C 0.287 175.196 174.900 0.014 0.000 1.421 655 G CA 1.267 46.363 45.100 -0.007 0.000 1.059 655 G HN 1.146 nan 8.290 nan 0.000 0.535 656 T N -2.790 111.777 114.554 0.021 0.000 2.804 656 T HA 0.361 4.711 4.350 0.001 0.000 0.290 656 T C 0.688 175.436 174.700 0.081 0.000 1.099 656 T CA -0.453 61.683 62.100 0.061 0.000 1.011 656 T CB 1.206 70.107 68.868 0.055 0.000 1.291 656 T HN 0.317 nan 8.240 nan 0.000 0.523 657 F N 1.957 121.882 119.950 -0.042 0.000 2.307 657 F HA 0.048 4.575 4.527 0.001 0.000 0.301 657 F C 1.439 177.212 175.800 -0.045 0.000 1.076 657 F CA 1.542 59.508 58.000 -0.056 0.000 1.383 657 F CB -0.416 38.524 39.000 -0.099 0.000 1.055 657 F HN 0.530 nan 8.300 nan 0.000 0.526 658 N N 0.052 118.684 118.700 -0.114 0.000 2.383 658 N HA -0.012 4.729 4.740 0.001 0.000 0.192 658 N C 0.236 175.656 175.510 -0.149 0.000 1.141 658 N CA 0.601 53.544 53.050 -0.179 0.000 0.851 658 N CB -0.113 38.343 38.487 -0.052 0.000 0.976 658 N HN 0.225 nan 8.380 nan 0.000 0.465 659 D N -0.907 119.413 120.400 -0.134 0.000 2.469 659 D HA 0.037 4.678 4.640 0.001 0.000 0.213 659 D C -0.144 176.089 176.300 -0.112 0.000 1.135 659 D CA -0.105 53.839 54.000 -0.094 0.000 0.834 659 D CB 0.376 41.147 40.800 -0.049 0.000 1.009 659 D HN -0.055 nan 8.370 nan 0.000 0.507 660 V N 2.172 121.979 119.914 -0.178 0.000 2.475 660 V HA -0.009 4.111 4.120 0.001 0.000 0.292 660 V C 0.099 176.132 176.094 -0.101 0.000 1.003 660 V CA 0.156 62.364 62.300 -0.154 0.000 1.120 660 V CB -0.329 31.340 31.823 -0.257 0.000 0.937 660 V HN 0.009 nan 8.190 nan 0.000 0.476 661 I N 6.511 127.052 120.570 -0.048 0.000 2.396 661 I HA 0.368 4.538 4.170 0.001 0.000 0.292 661 I C 1.059 177.207 176.117 0.051 0.000 0.999 661 I CA 0.140 61.435 61.300 -0.009 0.000 1.310 661 I CB 1.642 39.631 38.000 -0.018 0.000 1.404 661 I HN 0.793 nan 8.210 nan 0.000 0.496 662 T N -0.223 114.379 114.554 0.081 0.000 3.130 662 T HA 0.333 4.683 4.350 0.001 0.000 0.288 662 T C 0.052 174.833 174.700 0.135 0.000 0.936 662 T CA -0.329 61.854 62.100 0.139 0.000 0.897 662 T CB 0.194 69.177 68.868 0.192 0.000 1.178 662 T HN 0.437 nan 8.240 nan 0.000 0.543 663 E N 0.250 120.512 120.200 0.104 0.000 2.278 663 E HA 0.688 5.038 4.350 0.001 0.000 0.272 663 E C -0.329 176.320 176.600 0.082 0.000 0.890 663 E CA 0.120 56.575 56.400 0.092 0.000 0.770 663 E CB 1.772 31.509 29.700 0.062 0.000 1.212 663 E HN 0.653 nan 8.360 nan 0.000 0.415 664 G N 2.761 111.614 108.800 0.088 0.000 2.312 664 G HA2 0.420 4.380 3.960 0.001 0.000 0.347 664 G HA3 0.420 4.380 3.960 0.001 0.000 0.347 664 G C -1.337 173.551 174.900 -0.020 0.000 1.564 664 G CA -0.058 45.073 45.100 0.051 0.000 0.981 664 G HN 0.641 nan 8.290 nan 0.000 0.678 665 D N -1.340 118.913 120.400 -0.245 0.000 4.461 665 D HA 0.596 5.236 4.640 0.001 0.000 0.353 665 D C 0.533 176.519 176.300 -0.523 0.000 1.668 665 D CA 0.370 53.963 54.000 -0.678 0.000 0.985 665 D CB 0.211 40.805 40.800 -0.343 0.000 1.496 665 D HN 1.582 nan 8.370 nan 0.000 0.647 666 G N -0.471 108.076 108.800 -0.422 0.000 4.729 666 G HA2 0.386 4.346 3.960 0.001 0.000 0.258 666 G HA3 0.386 4.346 3.960 0.001 0.000 0.258 666 G C -0.338 174.398 174.900 -0.274 0.000 1.188 666 G CA -0.584 44.347 45.100 -0.282 0.000 0.866 666 G HN 0.209 nan 8.290 nan 0.000 0.562 667 R N 0.000 120.357 120.500 -0.238 0.000 2.786 667 R HA 0.000 4.340 4.340 0.001 0.000 0.208 667 R CA 0.000 55.963 56.100 -0.228 0.000 0.921 667 R CB 0.000 30.164 30.300 -0.227 0.000 0.687 667 R HN 0.000 nan 8.270 nan 0.000 0.535