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 1yi1_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 0.000 174.719 174.700 0.031 0.000 1.109 86 T CA 0.000 62.118 62.100 0.031 0.000 1.349 86 T CB 0.000 68.895 68.868 0.046 0.000 0.612 87 F N 3.483 123.387 119.950 -0.076 0.000 2.519 87 F HA 0.555 5.082 4.527 0.001 0.000 0.375 87 F C 0.662 176.406 175.800 -0.093 0.000 1.084 87 F CA -0.729 57.209 58.000 -0.104 0.000 1.147 87 F CB -0.176 38.724 39.000 -0.166 0.000 1.088 87 F HN 0.586 nan 8.300 nan 0.000 0.555 88 I N 5.491 125.664 120.570 -0.662 0.000 2.379 88 I HA 0.349 4.519 4.170 0.001 0.000 0.290 88 I C 0.619 176.246 176.117 -0.818 0.000 1.063 88 I CA 0.090 61.085 61.300 -0.509 0.000 1.351 88 I CB 0.247 38.040 38.000 -0.345 0.000 1.410 88 I HN 0.828 nan 8.210 nan 0.000 0.505 89 S N 3.377 118.850 115.700 -0.378 0.000 2.562 89 S HA 0.409 4.880 4.470 0.001 0.000 0.256 89 S C 1.295 175.827 174.600 -0.113 0.000 1.248 89 S CA 0.854 58.990 58.200 -0.107 0.000 0.988 89 S CB 0.514 63.846 63.200 0.220 0.000 1.035 89 S HN 0.882 nan 8.310 nan 0.000 0.548 90 R N -1.587 118.934 120.500 0.034 0.000 2.555 90 R HA 0.323 4.663 4.340 0.001 0.000 0.312 90 R C -1.244 174.756 176.300 -0.500 0.000 0.938 90 R CA -0.070 55.883 56.100 -0.245 0.000 1.112 90 R CB 0.304 30.417 30.300 -0.312 0.000 1.535 90 R HN 0.492 nan 8.270 nan 0.000 0.525 91 F N 0.441 120.426 119.950 0.059 0.000 2.563 91 F HA 0.591 5.119 4.527 0.001 0.000 0.316 91 F C 0.266 176.108 175.800 0.070 0.000 1.076 91 F CA -1.331 56.709 58.000 0.068 0.000 0.921 91 F CB 1.459 40.518 39.000 0.098 0.000 1.209 91 F HN -0.127 nan 8.300 nan 0.000 0.462 92 A N 2.862 125.809 122.820 0.212 0.000 2.531 92 A HA 0.271 4.591 4.320 0.001 0.000 0.236 92 A C -1.781 175.901 177.584 0.164 0.000 1.062 92 A CA -0.844 51.278 52.037 0.141 0.000 0.760 92 A CB -0.272 18.787 19.000 0.099 0.000 0.995 92 A HN 0.657 nan 8.150 nan 0.000 0.501 93 P HA -0.117 nan 4.420 nan 0.000 0.226 93 P C 0.275 177.635 177.300 0.100 0.000 1.146 93 P CA 1.706 64.886 63.100 0.134 0.000 0.773 93 P CB 0.163 31.927 31.700 0.107 0.000 0.772 94 D N -2.689 117.761 120.400 0.084 0.000 2.535 94 D HA 0.019 4.660 4.640 0.001 0.000 0.229 94 D C 0.186 176.521 176.300 0.060 0.000 1.238 94 D CA -0.100 53.935 54.000 0.057 0.000 0.824 94 D CB -0.294 40.533 40.800 0.044 0.000 1.045 94 D HN 0.162 nan 8.370 nan 0.000 0.500 95 Q N 1.482 121.336 119.800 0.091 0.000 2.314 95 Q HA 0.378 4.718 4.340 0.001 0.000 0.259 95 Q C -2.722 173.325 176.000 0.078 0.000 0.951 95 Q CA -1.918 53.946 55.803 0.101 0.000 0.909 95 Q CB 1.902 30.734 28.738 0.158 0.000 1.236 95 Q HN -0.157 nan 8.270 nan 0.000 0.444 96 P HA 0.141 nan 4.420 nan 0.000 0.271 96 P C -1.463 175.828 177.300 -0.015 0.000 1.216 96 P CA -0.119 62.978 63.100 -0.005 0.000 0.776 96 P CB 0.779 32.477 31.700 -0.004 0.000 0.881 97 R N 0.812 121.252 120.500 -0.101 0.000 2.817 97 R HA 0.511 4.851 4.340 0.001 0.000 0.268 97 R C -0.539 175.677 176.300 -0.140 0.000 1.027 97 R CA -1.081 54.922 56.100 -0.161 0.000 0.928 97 R CB 0.560 30.544 30.300 -0.526 0.000 1.228 97 R HN 0.184 nan 8.270 nan 0.000 0.469 98 K N 0.027 120.363 120.400 -0.106 0.000 2.276 98 K HA 0.157 4.477 4.320 0.001 0.000 0.259 98 K C 1.292 177.833 176.600 -0.098 0.000 1.001 98 K CA 0.485 56.729 56.287 -0.072 0.000 0.927 98 K CB 0.502 32.985 32.500 -0.028 0.000 0.969 98 K HN 0.807 nan 8.250 nan 0.000 0.490 99 G N 1.203 109.959 108.800 -0.073 0.000 2.422 99 G HA2 -0.299 3.662 3.960 0.001 0.000 0.218 99 G HA3 -0.299 3.662 3.960 0.001 0.000 0.218 99 G C 1.477 176.343 174.900 -0.057 0.000 1.146 99 G CA 1.062 46.117 45.100 -0.076 0.000 0.769 99 G HN 0.674 nan 8.290 nan 0.000 0.547 100 A N 1.097 123.895 122.820 -0.036 0.000 1.883 100 A HA -0.127 4.193 4.320 0.001 0.000 0.217 100 A C 2.105 179.681 177.584 -0.012 0.000 1.186 100 A CA 2.083 54.111 52.037 -0.016 0.000 0.624 100 A CB -0.487 18.514 19.000 0.002 0.000 0.822 100 A HN 0.315 nan 8.150 nan 0.000 0.444 101 D N -0.309 120.066 120.400 -0.041 0.000 2.144 101 D HA -0.083 4.557 4.640 0.001 0.000 0.200 101 D C 1.926 178.180 176.300 -0.076 0.000 0.978 101 D CA 1.146 55.108 54.000 -0.063 0.000 0.833 101 D CB -0.181 40.488 40.800 -0.219 0.000 0.961 101 D HN 0.539 nan 8.370 nan 0.000 0.470 102 I N 0.874 121.390 120.570 -0.090 0.000 2.252 102 I HA -0.214 3.956 4.170 0.001 0.000 0.245 102 I C 2.614 178.809 176.117 0.130 0.000 1.102 102 I CA 0.482 61.790 61.300 0.013 0.000 1.385 102 I CB -0.144 37.786 38.000 -0.117 0.000 1.064 102 I HN -0.014 nan 8.210 nan 0.000 0.414 103 L N 0.414 121.664 121.223 0.045 0.000 2.046 103 L HA -0.201 4.139 4.340 0.001 0.000 0.208 103 L C 2.523 179.434 176.870 0.068 0.000 1.077 103 L CA 1.384 56.257 54.840 0.055 0.000 0.747 103 L CB -0.088 41.979 42.059 0.014 0.000 0.896 103 L HN -0.024 nan 8.230 nan 0.000 0.432 104 V N 0.019 119.968 119.914 0.057 0.000 2.295 104 V HA -0.313 3.808 4.120 0.001 0.000 0.246 104 V C 2.458 178.586 176.094 0.057 0.000 1.049 104 V CA 2.169 64.501 62.300 0.053 0.000 1.024 104 V CB -0.636 31.225 31.823 0.064 0.000 0.648 104 V HN 0.575 nan 8.190 nan 0.000 0.447 105 E N 0.242 120.504 120.200 0.104 0.000 2.160 105 E HA -0.231 4.119 4.350 0.001 0.000 0.195 105 E C 2.162 178.627 176.600 -0.224 0.000 0.991 105 E CA 1.271 57.687 56.400 0.027 0.000 0.810 105 E CB -0.204 29.568 29.700 0.119 0.000 0.742 105 E HN 0.589 nan 8.360 nan 0.000 0.466 106 A N 0.692 123.518 122.820 0.011 0.000 1.969 106 A HA -0.114 4.206 4.320 0.001 0.000 0.218 106 A C 2.120 179.587 177.584 -0.195 0.000 1.169 106 A CA 0.885 52.914 52.037 -0.014 0.000 0.635 106 A CB -0.430 18.706 19.000 0.227 0.000 0.810 106 A HN 0.300 nan 8.150 nan 0.000 0.445 107 L N -0.777 120.375 121.223 -0.117 0.000 2.072 107 L HA -0.163 4.177 4.340 0.001 0.000 0.205 107 L C 2.567 179.326 176.870 -0.185 0.000 1.079 107 L CA 1.435 56.188 54.840 -0.145 0.000 0.752 107 L CB -0.614 41.442 42.059 -0.004 0.000 0.906 107 L HN 0.477 nan 8.230 nan 0.000 0.436 108 E N 0.214 120.336 120.200 -0.129 0.000 2.077 108 E HA -0.223 4.127 4.350 0.001 0.000 0.193 108 E C 2.236 178.718 176.600 -0.197 0.000 0.989 108 E CA 1.000 57.368 56.400 -0.053 0.000 0.800 108 E CB -0.116 29.663 29.700 0.132 0.000 0.746 108 E HN 0.378 nan 8.360 nan 0.000 0.452 109 R N 0.453 120.623 120.500 -0.550 0.000 2.241 109 R HA -0.069 4.272 4.340 0.001 0.000 0.224 109 R C 1.965 177.993 176.300 -0.454 0.000 1.101 109 R CA 0.719 56.354 56.100 -0.775 0.000 0.995 109 R CB 0.117 29.762 30.300 -1.092 0.000 0.870 109 R HN 0.106 nan 8.270 nan 0.000 0.463 110 Q N -1.085 118.456 119.800 -0.433 0.000 2.392 110 Q HA 0.109 4.449 4.340 0.001 0.000 0.203 110 Q C 1.074 176.905 176.000 -0.282 0.000 0.917 110 Q CA 0.880 56.390 55.803 -0.490 0.000 0.939 110 Q CB 1.384 29.474 28.738 -1.080 0.000 1.063 110 Q HN 0.537 nan 8.270 nan 0.000 0.516 111 G N 0.126 108.825 108.800 -0.169 0.000 2.176 111 G HA2 -0.245 3.716 3.960 0.001 0.000 0.232 111 G HA3 -0.245 3.716 3.960 0.001 0.000 0.232 111 G C 0.261 175.168 174.900 0.011 0.000 0.986 111 G CA 0.183 45.257 45.100 -0.042 0.000 0.643 111 G HN 0.203 nan 8.290 nan 0.000 0.522 112 V N 1.679 121.583 119.914 -0.016 0.000 2.599 112 V HA 0.338 4.458 4.120 0.001 0.000 0.300 112 V C 1.294 177.411 176.094 0.038 0.000 1.034 112 V CA 1.591 63.923 62.300 0.054 0.000 1.115 112 V CB 1.094 32.958 31.823 0.067 0.000 0.934 112 V HN 0.685 nan 8.190 nan 0.000 0.485 113 E N 1.871 122.105 120.200 0.056 0.000 2.676 113 E HA 0.224 4.575 4.350 0.001 0.000 0.225 113 E C -0.127 176.470 176.600 -0.004 0.000 0.944 113 E CA -0.240 56.183 56.400 0.039 0.000 1.156 113 E CB 0.974 30.719 29.700 0.074 0.000 1.117 113 E HN 0.610 nan 8.360 nan 0.000 0.523 114 T N 1.359 115.868 114.554 -0.076 0.000 3.032 114 T HA 0.473 4.823 4.350 0.001 0.000 0.312 114 T C -0.938 173.511 174.700 -0.419 0.000 1.078 114 T CA -0.667 61.278 62.100 -0.259 0.000 1.028 114 T CB 2.171 70.899 68.868 -0.234 0.000 1.091 114 T HN 0.204 nan 8.240 nan 0.000 0.457 115 V N -0.249 119.381 119.914 -0.472 0.000 3.007 115 V HA 0.895 5.015 4.120 0.001 0.000 0.311 115 V C -1.852 173.913 176.094 -0.548 0.000 1.120 115 V CA -1.296 60.787 62.300 -0.362 0.000 0.980 115 V CB 1.971 33.703 31.823 -0.151 0.000 1.033 115 V HN 0.736 nan 8.190 nan 0.000 0.429 116 F N 2.459 122.371 119.950 -0.063 0.000 2.366 116 F HA 0.901 5.428 4.527 0.001 0.000 0.366 116 F C 0.515 176.333 175.800 0.030 0.000 1.096 116 F CA -0.155 57.842 58.000 -0.006 0.000 1.060 116 F CB 1.604 40.599 39.000 -0.009 0.000 1.282 116 F HN 0.953 nan 8.300 nan 0.000 0.450 117 A N 2.990 125.918 122.820 0.180 0.000 2.386 117 A HA 0.705 5.025 4.320 0.001 0.000 0.311 117 A C -2.200 175.589 177.584 0.342 0.000 1.068 117 A CA -0.703 51.466 52.037 0.221 0.000 0.743 117 A CB 1.072 20.111 19.000 0.066 0.000 1.258 117 A HN 0.644 nan 8.150 nan 0.000 0.429 118 Y N 4.170 124.588 120.300 0.196 0.000 2.345 118 Y HA 0.481 5.031 4.550 0.001 0.000 0.331 118 Y C -2.232 173.699 175.900 0.052 0.000 0.959 118 Y CA -2.208 55.940 58.100 0.080 0.000 1.204 118 Y CB 1.835 40.305 38.460 0.016 0.000 1.135 118 Y HN 0.539 nan 8.280 nan 0.000 0.477 119 P HA 0.215 nan 4.420 nan 0.000 0.265 119 P C -0.344 176.863 177.300 -0.153 0.000 1.193 119 P CA 0.409 63.165 63.100 -0.573 0.000 0.765 119 P CB 1.271 32.433 31.700 -0.897 0.000 0.823 120 G N 0.825 109.609 108.800 -0.027 0.000 2.704 120 G HA2 0.459 4.419 3.960 0.001 0.000 0.293 120 G HA3 0.459 4.419 3.960 0.001 0.000 0.293 120 G C 0.870 175.791 174.900 0.035 0.000 1.421 120 G CA -0.187 44.930 45.100 0.027 0.000 0.870 120 G HN 0.442 nan 8.290 nan 0.000 0.492 121 G N 0.438 109.266 108.800 0.047 0.000 2.513 121 G HA2 -0.008 3.952 3.960 0.001 0.000 0.219 121 G HA3 -0.008 3.952 3.960 0.001 0.000 0.219 121 G C 1.940 176.879 174.900 0.065 0.000 1.160 121 G CA 2.011 47.152 45.100 0.069 0.000 0.767 121 G HN 1.425 nan 8.290 nan 0.000 0.571 122 A N 0.387 123.236 122.820 0.049 0.000 2.121 122 A HA 0.192 4.513 4.320 0.001 0.000 0.218 122 A C 2.353 179.967 177.584 0.050 0.000 1.154 122 A CA 2.090 54.151 52.037 0.040 0.000 0.679 122 A CB -0.226 18.780 19.000 0.010 0.000 0.795 122 A HN 0.868 nan 8.150 nan 0.000 0.458 123 S N -1.993 113.753 115.700 0.077 0.000 2.650 123 S HA 0.259 4.729 4.470 0.001 0.000 0.240 123 S C 1.457 176.157 174.600 0.167 0.000 1.007 123 S CA 0.174 58.441 58.200 0.110 0.000 0.984 123 S CB -0.420 62.866 63.200 0.143 0.000 0.910 123 S HN 0.399 nan 8.310 nan 0.000 0.509 124 M N 1.725 121.396 119.600 0.119 0.000 2.088 124 M HA -0.149 4.332 4.480 0.001 0.000 0.256 124 M C 2.242 178.609 176.300 0.112 0.000 1.071 124 M CA 1.858 57.224 55.300 0.109 0.000 1.097 124 M CB -0.537 32.096 32.600 0.054 0.000 1.315 124 M HN 0.327 nan 8.290 nan 0.000 0.406 125 E N 0.569 120.812 120.200 0.071 0.000 2.086 125 E HA -0.227 4.123 4.350 0.001 0.000 0.200 125 E C 1.907 178.536 176.600 0.048 0.000 1.012 125 E CA 1.629 58.060 56.400 0.052 0.000 0.812 125 E CB -0.600 29.120 29.700 0.033 0.000 0.743 125 E HN 0.609 nan 8.360 nan 0.000 0.453 126 I N 0.677 121.265 120.570 0.030 0.000 2.208 126 I HA -0.282 3.888 4.170 0.001 0.000 0.245 126 I C 2.545 178.630 176.117 -0.054 0.000 1.097 126 I CA 1.188 62.472 61.300 -0.026 0.000 1.363 126 I CB -0.478 37.478 38.000 -0.074 0.000 1.051 126 I HN 0.170 nan 8.210 nan 0.000 0.413 127 H N 0.591 119.665 119.070 0.007 0.000 2.387 127 H HA -0.130 4.426 4.556 0.001 0.000 0.299 127 H C 2.326 177.655 175.328 0.003 0.000 1.090 127 H CA 1.201 57.247 56.048 -0.003 0.000 1.332 127 H CB 0.038 29.789 29.762 -0.018 0.000 1.386 127 H HN 0.416 nan 8.280 nan 0.000 0.516 128 Q N 0.278 120.151 119.800 0.122 0.000 2.046 128 Q HA -0.044 4.297 4.340 0.001 0.000 0.200 128 Q C 2.563 178.604 176.000 0.068 0.000 0.975 128 Q CA 1.088 56.938 55.803 0.079 0.000 0.836 128 Q CB -0.432 28.345 28.738 0.065 0.000 0.896 128 Q HN 0.406 nan 8.270 nan 0.000 0.428 129 A N 0.722 123.580 122.820 0.063 0.000 1.978 129 A HA -0.163 4.157 4.320 0.001 0.000 0.220 129 A C 2.090 179.712 177.584 0.063 0.000 1.170 129 A CA 1.049 53.131 52.037 0.076 0.000 0.636 129 A CB -0.494 18.541 19.000 0.059 0.000 0.810 129 A HN 0.267 nan 8.150 nan 0.000 0.448 130 L N 0.409 121.649 121.223 0.029 0.000 2.093 130 L HA -0.119 4.221 4.340 0.001 0.000 0.208 130 L C 2.923 179.809 176.870 0.026 0.000 1.085 130 L CA 2.599 57.444 54.840 0.008 0.000 0.755 130 L CB -1.054 40.979 42.059 -0.044 0.000 0.904 130 L HN 0.649 nan 8.230 nan 0.000 0.435 131 T N -3.713 110.865 114.554 0.039 0.000 2.915 131 T HA -0.190 4.161 4.350 0.001 0.000 0.269 131 T C 1.959 176.675 174.700 0.025 0.000 1.071 131 T CA 0.884 63.002 62.100 0.030 0.000 1.132 131 T CB -0.374 68.513 68.868 0.031 0.000 0.878 131 T HN 0.290 nan 8.240 nan 0.000 0.479 132 R N 1.219 121.743 120.500 0.041 0.000 2.307 132 R HA 0.238 4.578 4.340 0.001 0.000 0.199 132 R C 1.160 177.477 176.300 0.028 0.000 1.000 132 R CA 0.195 56.317 56.100 0.036 0.000 1.023 132 R CB -0.039 30.307 30.300 0.076 0.000 0.908 132 R HN 0.322 nan 8.270 nan 0.000 0.473 133 S N 0.039 115.760 115.700 0.036 0.000 2.537 133 S HA 0.112 4.582 4.470 0.001 0.000 0.275 133 S C 1.037 175.639 174.600 0.004 0.000 1.272 133 S CA -0.687 57.531 58.200 0.030 0.000 1.050 133 S CB 1.234 64.457 63.200 0.039 0.000 0.961 133 S HN 0.286 nan 8.310 nan 0.000 0.496 134 S N 2.476 118.171 115.700 -0.008 0.000 2.524 134 S HA 0.065 4.536 4.470 0.001 0.000 0.215 134 S C 1.355 175.947 174.600 -0.014 0.000 0.986 134 S CA 0.371 58.560 58.200 -0.018 0.000 0.911 134 S CB -0.047 63.132 63.200 -0.034 0.000 0.805 134 S HN 0.739 nan 8.310 nan 0.000 0.501 135 S N 1.007 116.704 115.700 -0.005 0.000 2.497 135 S HA 0.414 4.884 4.470 0.001 0.000 0.221 135 S C 0.420 175.022 174.600 0.004 0.000 1.037 135 S CA -0.448 57.754 58.200 0.002 0.000 0.920 135 S CB -0.511 62.697 63.200 0.014 0.000 0.800 135 S HN 0.470 nan 8.310 nan 0.000 0.505 136 I N 3.306 123.875 120.570 -0.001 0.000 2.331 136 I HA 0.442 4.612 4.170 0.001 0.000 0.292 136 I C 0.020 176.114 176.117 -0.038 0.000 0.998 136 I CA -0.766 60.522 61.300 -0.020 0.000 1.267 136 I CB 1.310 39.297 38.000 -0.021 0.000 1.386 136 I HN 0.248 nan 8.210 nan 0.000 0.476 137 R N 6.089 126.551 120.500 -0.062 0.000 2.604 137 R HA 0.423 4.763 4.340 0.001 0.000 0.287 137 R C -0.974 175.240 176.300 -0.142 0.000 0.970 137 R CA -0.638 55.417 56.100 -0.076 0.000 0.946 137 R CB 1.220 31.485 30.300 -0.058 0.000 1.127 137 R HN 0.682 nan 8.270 nan 0.000 0.473 138 N N 2.458 121.087 118.700 -0.118 0.000 2.372 138 N HA 0.279 5.019 4.740 0.001 0.000 0.291 138 N C -1.357 174.070 175.510 -0.137 0.000 1.024 138 N CA -0.716 52.244 53.050 -0.150 0.000 0.873 138 N CB 1.738 40.193 38.487 -0.054 0.000 1.206 138 N HN 0.365 nan 8.380 nan 0.000 0.486 139 V N 4.687 124.462 119.914 -0.231 0.000 2.304 139 V HA 0.185 4.305 4.120 0.001 0.000 0.269 139 V C 0.124 176.269 176.094 0.084 0.000 1.036 139 V CA -0.731 61.524 62.300 -0.075 0.000 0.840 139 V CB 0.661 32.424 31.823 -0.099 0.000 1.036 139 V HN 0.546 nan 8.190 nan 0.000 0.466 140 L N 10.114 131.386 121.223 0.083 0.000 2.385 140 L HA 0.494 4.834 4.340 0.001 0.000 0.281 140 L C -1.834 175.145 176.870 0.181 0.000 1.106 140 L CA -0.669 54.241 54.840 0.117 0.000 0.856 140 L CB 0.486 42.558 42.059 0.021 0.000 1.186 140 L HN 0.376 nan 8.230 nan 0.000 0.453 141 P HA 0.284 nan 4.420 nan 0.000 0.282 141 P C -0.434 177.041 177.300 0.291 0.000 1.287 141 P CA -0.447 62.793 63.100 0.234 0.000 0.792 141 P CB 1.038 32.857 31.700 0.198 0.000 1.163 142 R N -1.989 118.614 120.500 0.173 0.000 2.334 142 R HA 0.242 4.582 4.340 0.001 0.000 0.216 142 R C 0.198 176.490 176.300 -0.013 0.000 0.905 142 R CA 0.265 56.462 56.100 0.161 0.000 1.064 142 R CB -0.876 29.478 30.300 0.090 0.000 1.046 142 R HN 0.637 nan 8.270 nan 0.000 0.508 143 H N -0.981 117.969 119.070 -0.201 0.000 3.085 143 H HA 0.131 4.687 4.556 0.001 0.000 0.356 143 H C 0.259 175.402 175.328 -0.308 0.000 1.178 143 H CA -0.463 55.375 56.048 -0.350 0.000 1.214 143 H CB 1.443 31.065 29.762 -0.234 0.000 1.881 143 H HN -0.047 nan 8.280 nan 0.000 0.538 144 E N 2.793 122.832 120.200 -0.268 0.000 2.209 144 E HA -0.276 4.074 4.350 0.001 0.000 0.196 144 E C 1.498 178.070 176.600 -0.046 0.000 0.993 144 E CA 1.193 57.521 56.400 -0.121 0.000 0.819 144 E CB 0.081 29.673 29.700 -0.180 0.000 0.745 144 E HN 0.723 nan 8.360 nan 0.000 0.477 145 Q N 1.118 120.965 119.800 0.077 0.000 2.224 145 Q HA -0.069 4.271 4.340 0.001 0.000 0.203 145 Q C 2.126 177.889 176.000 -0.395 0.000 0.970 145 Q CA 1.488 57.092 55.803 -0.332 0.000 0.865 145 Q CB -0.226 28.218 28.738 -0.489 0.000 0.922 145 Q HN 0.294 nan 8.270 nan 0.000 0.445 146 G N -0.372 108.332 108.800 -0.160 0.000 2.448 146 G HA2 -0.119 3.841 3.960 0.001 0.000 0.218 146 G HA3 -0.119 3.841 3.960 0.001 0.000 0.218 146 G C 1.213 176.061 174.900 -0.087 0.000 1.135 146 G CA 0.459 45.509 45.100 -0.085 0.000 0.784 146 G HN 0.494 nan 8.290 nan 0.000 0.543 147 G N 1.051 109.814 108.800 -0.062 0.000 2.433 147 G HA2 -0.165 3.795 3.960 0.001 0.000 0.216 147 G HA3 -0.165 3.795 3.960 0.001 0.000 0.216 147 G C 1.888 176.712 174.900 -0.126 0.000 1.186 147 G CA 1.960 47.047 45.100 -0.022 0.000 0.779 147 G HN 0.437 nan 8.290 nan 0.000 0.543 148 V N -0.663 119.164 119.914 -0.146 0.000 2.295 148 V HA -0.100 4.021 4.120 0.001 0.000 0.246 148 V C 2.531 178.603 176.094 -0.036 0.000 1.049 148 V CA 1.689 63.916 62.300 -0.123 0.000 1.024 148 V CB -1.245 30.472 31.823 -0.178 0.000 0.648 148 V HN 0.363 nan 8.190 nan 0.000 0.447 149 F N 1.152 121.014 119.950 -0.147 0.000 2.202 149 F HA -0.136 4.391 4.527 0.001 0.000 0.301 149 F C 2.721 178.293 175.800 -0.381 0.000 1.082 149 F CA 0.864 58.738 58.000 -0.209 0.000 1.313 149 F CB -0.334 38.529 39.000 -0.229 0.000 1.024 149 F HN 0.222 nan 8.300 nan 0.000 0.495 150 A N 0.202 122.855 122.820 -0.278 0.000 1.898 150 A HA -0.099 4.222 4.320 0.001 0.000 0.216 150 A C 2.330 179.459 177.584 -0.760 0.000 1.181 150 A CA 1.505 53.161 52.037 -0.635 0.000 0.620 150 A CB -1.008 17.391 19.000 -1.002 0.000 0.819 150 A HN 0.316 nan 8.150 nan 0.000 0.442 151 A N -0.316 122.144 122.820 -0.601 0.000 1.930 151 A HA -0.144 4.176 4.320 0.001 0.000 0.217 151 A C 1.941 179.514 177.584 -0.020 0.000 1.175 151 A CA 1.542 53.429 52.037 -0.250 0.000 0.627 151 A CB -0.434 18.516 19.000 -0.083 0.000 0.815 151 A HN 0.627 nan 8.150 nan 0.000 0.443 152 E N -0.680 119.521 120.200 0.002 0.000 2.047 152 E HA -0.116 4.235 4.350 0.001 0.000 0.191 152 E C 2.226 178.865 176.600 0.065 0.000 0.987 152 E CA 0.808 57.267 56.400 0.099 0.000 0.799 152 E CB -0.392 29.461 29.700 0.255 0.000 0.752 152 E HN 0.599 nan 8.360 nan 0.000 0.449 153 G N 0.609 109.370 108.800 -0.064 0.000 2.440 153 G HA2 -0.317 3.643 3.960 0.001 0.000 0.218 153 G HA3 -0.317 3.643 3.960 0.001 0.000 0.218 153 G C 1.400 176.318 174.900 0.029 0.000 1.154 153 G CA 0.993 46.039 45.100 -0.090 0.000 0.767 153 G HN 0.272 nan 8.290 nan 0.000 0.552 154 Y N 1.824 122.094 120.300 -0.051 0.000 2.070 154 Y HA -0.082 4.468 4.550 0.001 0.000 0.280 154 Y C 3.051 178.988 175.900 0.062 0.000 1.148 154 Y CA 2.052 60.188 58.100 0.061 0.000 1.125 154 Y CB -0.426 38.140 38.460 0.177 0.000 0.975 154 Y HN 0.264 nan 8.280 nan 0.000 0.492 155 A N 0.643 123.653 122.820 0.317 0.000 1.873 155 A HA -0.264 4.056 4.320 0.001 0.000 0.218 155 A C 2.244 179.882 177.584 0.090 0.000 1.193 155 A CA 2.269 54.427 52.037 0.202 0.000 0.629 155 A CB -0.811 18.285 19.000 0.161 0.000 0.826 155 A HN 0.578 nan 8.150 nan 0.000 0.447 156 R N 0.076 120.619 120.500 0.070 0.000 2.091 156 R HA -0.117 4.223 4.340 0.001 0.000 0.238 156 R C 2.444 178.754 176.300 0.016 0.000 1.136 156 R CA 1.735 57.858 56.100 0.038 0.000 0.959 156 R CB -0.442 29.879 30.300 0.035 0.000 0.856 156 R HN 0.711 nan 8.270 nan 0.000 0.437 157 S N -0.451 115.246 115.700 -0.005 0.000 2.562 157 S HA -0.014 4.456 4.470 0.001 0.000 0.221 157 S C 1.700 176.274 174.600 -0.044 0.000 0.975 157 S CA 0.835 59.022 58.200 -0.022 0.000 0.918 157 S CB 0.256 63.432 63.200 -0.040 0.000 0.772 157 S HN 0.338 nan 8.310 nan 0.000 0.531 158 S N -0.510 115.154 115.700 -0.059 0.000 2.931 158 S HA 0.604 5.074 4.470 0.001 0.000 0.251 158 S C 1.628 176.226 174.600 -0.003 0.000 1.078 158 S CA 0.586 58.745 58.200 -0.068 0.000 0.835 158 S CB -0.094 62.994 63.200 -0.185 0.000 0.798 158 S HN 1.368 nan 8.310 nan 0.000 0.495 159 G N 1.347 110.164 108.800 0.028 0.000 2.231 159 G HA2 -0.160 3.801 3.960 0.001 0.000 0.206 159 G HA3 -0.160 3.801 3.960 0.001 0.000 0.206 159 G C -0.083 174.866 174.900 0.081 0.000 0.996 159 G CA -0.088 45.043 45.100 0.051 0.000 0.645 159 G HN 0.622 nan 8.290 nan 0.000 0.498 160 K N 1.929 122.393 120.400 0.107 0.000 2.107 160 K HA 0.520 4.840 4.320 0.001 0.000 0.251 160 K C -2.146 174.584 176.600 0.216 0.000 1.012 160 K CA -1.358 55.037 56.287 0.180 0.000 0.920 160 K CB 0.986 33.636 32.500 0.248 0.000 1.033 160 K HN 0.150 nan 8.250 nan 0.000 0.478 161 P HA 0.084 nan 4.420 nan 0.000 0.276 161 P C -0.582 176.823 177.300 0.175 0.000 1.244 161 P CA -0.474 62.706 63.100 0.133 0.000 0.801 161 P CB 0.921 32.641 31.700 0.034 0.000 1.006 162 G N 1.105 109.964 108.800 0.098 0.000 2.371 162 G HA2 0.561 4.521 3.960 0.001 0.000 0.326 162 G HA3 0.561 4.521 3.960 0.001 0.000 0.326 162 G C -1.057 173.836 174.900 -0.012 0.000 1.127 162 G CA -0.421 44.724 45.100 0.077 0.000 0.885 162 G HN 0.296 nan 8.290 nan 0.000 0.477 163 I N 1.479 122.043 120.570 -0.010 0.000 2.410 163 I HA 0.348 4.518 4.170 0.001 0.000 0.286 163 I C 0.287 176.455 176.117 0.084 0.000 1.009 163 I CA -0.875 60.427 61.300 0.004 0.000 1.111 163 I CB 1.556 39.568 38.000 0.020 0.000 1.262 163 I HN 0.679 nan 8.210 nan 0.000 0.443 164 C N 5.760 125.093 119.300 0.056 0.000 2.561 164 C HA 0.892 5.353 4.460 0.001 0.000 0.319 164 C C -0.360 174.656 174.990 0.043 0.000 1.198 164 C CA -1.045 58.027 59.018 0.089 0.000 1.665 164 C CB 0.685 28.459 27.740 0.056 0.000 2.258 164 C HN 0.655 nan 8.230 nan 0.000 0.493 165 I N 2.289 122.893 120.570 0.056 0.000 2.533 165 I HA 0.734 4.904 4.170 0.001 0.000 0.290 165 I C 0.265 176.428 176.117 0.078 0.000 1.056 165 I CA -0.344 60.973 61.300 0.028 0.000 1.057 165 I CB 1.898 39.875 38.000 -0.039 0.000 1.240 165 I HN 1.075 nan 8.210 nan 0.000 0.423 166 A N 3.564 126.421 122.820 0.060 0.000 2.532 166 A HA 0.813 5.133 4.320 0.001 0.000 0.290 166 A C -0.462 177.164 177.584 0.069 0.000 1.143 166 A CA -0.533 51.554 52.037 0.083 0.000 0.728 166 A CB 2.008 21.024 19.000 0.028 0.000 1.317 166 A HN 0.582 nan 8.150 nan 0.000 0.414 167 T N -0.299 114.298 114.554 0.072 0.000 2.814 167 T HA 0.536 4.886 4.350 0.001 0.000 0.284 167 T C 1.063 175.758 174.700 -0.008 0.000 0.998 167 T CA 0.378 62.504 62.100 0.043 0.000 0.935 167 T CB 0.198 69.096 68.868 0.049 0.000 1.167 167 T HN 1.556 nan 8.240 nan 0.000 0.545 168 S N -0.049 115.632 115.700 -0.031 0.000 2.633 168 S HA 0.513 4.983 4.470 0.001 0.000 0.257 168 S C 1.468 176.009 174.600 -0.099 0.000 1.265 168 S CA -0.054 58.108 58.200 -0.063 0.000 0.980 168 S CB -0.574 62.582 63.200 -0.073 0.000 1.017 168 S HN 1.610 nan 8.310 nan 0.000 0.577 169 G N 1.708 110.440 108.800 -0.113 0.000 2.699 169 G HA2 -0.319 3.641 3.960 0.001 0.000 0.347 169 G HA3 -0.319 3.641 3.960 0.001 0.000 0.347 169 G C -0.855 173.978 174.900 -0.112 0.000 1.225 169 G CA 0.676 45.698 45.100 -0.131 0.000 0.973 169 G HN 0.744 nan 8.290 nan 0.000 0.551 170 P HA -0.064 nan 4.420 nan 0.000 0.218 170 P C 1.980 179.209 177.300 -0.119 0.000 1.148 170 P CA 2.649 65.679 63.100 -0.116 0.000 0.822 170 P CB -0.728 30.897 31.700 -0.125 0.000 0.784 171 G N 0.818 109.555 108.800 -0.104 0.000 2.459 171 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 171 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 171 G C 1.871 176.724 174.900 -0.077 0.000 1.183 171 G CA 1.376 46.423 45.100 -0.088 0.000 0.776 171 G HN 0.361 nan 8.290 nan 0.000 0.552 172 A N 0.895 123.677 122.820 -0.063 0.000 1.851 172 A HA -0.110 4.210 4.320 0.001 0.000 0.216 172 A C 2.694 180.239 177.584 -0.064 0.000 1.195 172 A CA 3.335 55.339 52.037 -0.056 0.000 0.622 172 A CB -1.467 17.502 19.000 -0.051 0.000 0.831 172 A HN 0.638 nan 8.150 nan 0.000 0.444 173 T N -1.360 113.153 114.554 -0.069 0.000 2.778 173 T HA -0.224 4.126 4.350 0.001 0.000 0.269 173 T C 1.313 175.973 174.700 -0.067 0.000 1.050 173 T CA 1.769 63.831 62.100 -0.064 0.000 1.137 173 T CB -0.989 67.841 68.868 -0.062 0.000 0.860 173 T HN 0.623 nan 8.240 nan 0.000 0.468 174 N N 0.591 119.246 118.700 -0.074 0.000 2.575 174 N HA 0.190 4.930 4.740 0.001 0.000 0.192 174 N C 1.166 176.620 175.510 -0.094 0.000 1.200 174 N CA 0.081 53.096 53.050 -0.059 0.000 0.897 174 N CB -0.195 38.252 38.487 -0.067 0.000 0.990 174 N HN 0.439 nan 8.380 nan 0.000 0.449 175 L N -0.916 120.248 121.223 -0.099 0.000 2.575 175 L HA 0.081 4.421 4.340 0.001 0.000 0.228 175 L C 1.915 178.716 176.870 -0.115 0.000 1.075 175 L CA 0.028 54.797 54.840 -0.119 0.000 0.867 175 L CB 0.052 42.062 42.059 -0.083 0.000 1.097 175 L HN -0.027 nan 8.230 nan 0.000 0.485 176 V N 0.103 119.966 119.914 -0.086 0.000 2.252 176 V HA -0.424 3.696 4.120 0.001 0.000 0.255 176 V C 2.593 178.650 176.094 -0.061 0.000 1.071 176 V CA 2.500 64.761 62.300 -0.065 0.000 1.050 176 V CB -0.786 31.004 31.823 -0.055 0.000 0.654 176 V HN 0.426 nan 8.190 nan 0.000 0.448 177 S N -0.003 115.648 115.700 -0.081 0.000 2.383 177 S HA -0.143 4.327 4.470 0.001 0.000 0.229 177 S C 1.978 176.589 174.600 0.018 0.000 1.030 177 S CA 1.370 59.548 58.200 -0.035 0.000 1.002 177 S CB -0.652 62.521 63.200 -0.044 0.000 0.829 177 S HN 0.760 nan 8.310 nan 0.000 0.467 178 G N 1.582 110.323 108.800 -0.097 0.000 2.394 178 G HA2 -0.073 3.887 3.960 0.001 0.000 0.214 178 G HA3 -0.073 3.887 3.960 0.001 0.000 0.214 178 G C 1.325 176.257 174.900 0.054 0.000 1.176 178 G CA 0.486 45.595 45.100 0.016 0.000 0.786 178 G HN 0.422 nan 8.290 nan 0.000 0.533 179 L N 0.894 122.113 121.223 -0.007 0.000 1.970 179 L HA -0.118 4.222 4.340 0.001 0.000 0.212 179 L C 3.436 180.311 176.870 0.007 0.000 1.071 179 L CA 1.321 56.158 54.840 -0.004 0.000 0.751 179 L CB -0.740 41.304 42.059 -0.025 0.000 0.889 179 L HN 0.287 nan 8.230 nan 0.000 0.432 180 A N -0.033 122.789 122.820 0.002 0.000 1.948 180 A HA -0.328 3.993 4.320 0.001 0.000 0.220 180 A C 1.950 179.538 177.584 0.007 0.000 1.177 180 A CA 2.414 54.451 52.037 0.001 0.000 0.636 180 A CB -0.777 18.221 19.000 -0.004 0.000 0.815 180 A HN 0.518 nan 8.150 nan 0.000 0.449 181 D N -0.609 119.813 120.400 0.038 0.000 2.097 181 D HA 0.022 4.662 4.640 0.001 0.000 0.197 181 D C 2.056 178.356 176.300 -0.001 0.000 0.984 181 D CA 1.561 55.574 54.000 0.021 0.000 0.826 181 D CB -0.222 40.647 40.800 0.115 0.000 0.973 181 D HN 0.337 nan 8.370 nan 0.000 0.460 182 A N -0.088 122.754 122.820 0.036 0.000 1.930 182 A HA -0.063 4.258 4.320 0.001 0.000 0.217 182 A C 2.083 179.668 177.584 0.001 0.000 1.175 182 A CA 1.104 53.155 52.037 0.023 0.000 0.627 182 A CB -0.737 18.285 19.000 0.036 0.000 0.815 182 A HN 0.378 nan 8.150 nan 0.000 0.443 183 L N -0.425 120.797 121.223 -0.001 0.000 2.027 183 L HA -0.031 4.309 4.340 0.001 0.000 0.206 183 L C 2.254 179.117 176.870 -0.011 0.000 1.074 183 L CA 1.630 56.468 54.840 -0.005 0.000 0.745 183 L CB -0.635 41.422 42.059 -0.004 0.000 0.898 183 L HN 0.379 nan 8.230 nan 0.000 0.433 184 L N -0.606 120.606 121.223 -0.019 0.000 2.079 184 L HA -0.214 4.126 4.340 0.001 0.000 0.210 184 L C 1.451 178.300 176.870 -0.035 0.000 1.081 184 L CA 1.400 56.223 54.840 -0.028 0.000 0.752 184 L CB -0.389 41.645 42.059 -0.042 0.000 0.896 184 L HN 0.324 nan 8.230 nan 0.000 0.433 185 D N -1.063 119.310 120.400 -0.046 0.000 2.349 185 D HA 0.049 4.689 4.640 0.001 0.000 0.214 185 D C 0.493 176.778 176.300 -0.026 0.000 1.063 185 D CA 0.213 54.182 54.000 -0.052 0.000 0.847 185 D CB 0.421 41.163 40.800 -0.096 0.000 0.933 185 D HN 0.015 nan 8.370 nan 0.000 0.513 186 S N -0.403 115.289 115.700 -0.014 0.000 3.797 186 S HA -0.133 4.338 4.470 0.001 0.000 0.374 186 S C -0.009 174.591 174.600 -0.000 0.000 0.970 186 S CA -0.049 58.148 58.200 -0.004 0.000 1.177 186 S CB -1.382 61.818 63.200 -0.000 0.000 0.891 186 S HN 0.096 nan 8.310 nan 0.000 0.491 187 V N 2.992 122.907 119.914 0.002 0.000 2.394 187 V HA 0.417 4.537 4.120 0.001 0.000 0.282 187 V C -1.635 174.466 176.094 0.012 0.000 1.031 187 V CA -1.978 60.331 62.300 0.015 0.000 0.881 187 V CB 1.403 33.244 31.823 0.030 0.000 0.982 187 V HN 0.224 nan 8.190 nan 0.000 0.451 188 P HA 0.216 nan 4.420 nan 0.000 0.265 188 P C -0.966 176.325 177.300 -0.014 0.000 1.222 188 P CA 0.056 63.153 63.100 -0.005 0.000 0.767 188 P CB 1.302 33.012 31.700 0.016 0.000 0.801 189 L N 5.023 126.212 121.223 -0.058 0.000 2.466 189 L HA 0.518 4.858 4.340 0.001 0.000 0.258 189 L C -1.252 175.525 176.870 -0.155 0.000 0.973 189 L CA -0.861 53.934 54.840 -0.075 0.000 0.826 189 L CB 2.691 44.734 42.059 -0.026 0.000 1.372 189 L HN 0.082 nan 8.230 nan 0.000 0.409 190 V N 3.135 122.930 119.914 -0.198 0.000 2.524 190 V HA 0.863 4.983 4.120 0.001 0.000 0.297 190 V C -0.452 175.567 176.094 -0.126 0.000 1.035 190 V CA -0.397 61.755 62.300 -0.247 0.000 0.867 190 V CB 1.542 33.027 31.823 -0.563 0.000 1.004 190 V HN 0.905 nan 8.190 nan 0.000 0.426 191 A N 6.473 129.248 122.820 -0.075 0.000 2.318 191 A HA 0.928 5.249 4.320 0.001 0.000 0.324 191 A C -0.803 176.767 177.584 -0.024 0.000 1.170 191 A CA -0.496 51.519 52.037 -0.038 0.000 0.810 191 A CB 0.848 19.829 19.000 -0.032 0.000 1.198 191 A HN 0.766 nan 8.150 nan 0.000 0.484 192 I N 2.520 123.083 120.570 -0.013 0.000 2.389 192 I HA 0.428 4.598 4.170 0.001 0.000 0.288 192 I C -0.003 176.111 176.117 -0.004 0.000 0.999 192 I CA -0.335 60.961 61.300 -0.007 0.000 1.129 192 I CB 2.354 40.351 38.000 -0.004 0.000 1.288 192 I HN 0.739 nan 8.210 nan 0.000 0.444 193 T N 1.737 116.288 114.554 -0.005 0.000 2.841 193 T HA 0.648 4.999 4.350 0.001 0.000 0.283 193 T C 0.121 174.820 174.700 -0.001 0.000 1.000 193 T CA -0.809 61.290 62.100 -0.003 0.000 0.977 193 T CB 1.791 70.651 68.868 -0.013 0.000 0.979 193 T HN 0.650 nan 8.240 nan 0.000 0.446 194 G N 0.954 109.758 108.800 0.007 0.000 2.569 194 G HA2 0.506 4.467 3.960 0.001 0.000 0.249 194 G HA3 0.506 4.467 3.960 0.001 0.000 0.249 194 G C -0.656 174.242 174.900 -0.004 0.000 1.216 194 G CA -0.282 44.822 45.100 0.008 0.000 0.845 194 G HN 0.848 nan 8.290 nan 0.000 0.568 195 Q N -0.917 118.881 119.800 -0.004 0.000 2.501 195 Q HA 0.504 4.844 4.340 0.001 0.000 0.288 195 Q C -0.050 175.948 176.000 -0.004 0.000 1.051 195 Q CA -0.708 55.088 55.803 -0.011 0.000 0.788 195 Q CB 1.853 30.585 28.738 -0.011 0.000 1.469 195 Q HN 0.929 nan 8.270 nan 0.000 0.416 196 V N -0.295 119.616 119.914 -0.006 0.000 3.432 196 V HA 0.510 4.630 4.120 0.001 0.000 0.304 196 V C -2.174 173.927 176.094 0.012 0.000 1.107 196 V CA -1.346 60.960 62.300 0.010 0.000 1.153 196 V CB -0.440 31.391 31.823 0.013 0.000 1.072 196 V HN 0.786 nan 8.190 nan 0.000 0.485 197 P HA 0.151 nan 4.420 nan 0.000 0.266 197 P C 0.598 177.902 177.300 0.008 0.000 1.193 197 P CA 0.154 63.262 63.100 0.013 0.000 0.770 197 P CB 0.324 32.034 31.700 0.017 0.000 0.836 198 R N 2.378 122.880 120.500 0.003 0.000 2.096 198 R HA -0.244 4.096 4.340 0.001 0.000 0.240 198 R C 2.294 178.595 176.300 0.002 0.000 1.139 198 R CA 2.169 58.269 56.100 0.000 0.000 0.952 198 R CB -0.505 29.794 30.300 -0.002 0.000 0.854 198 R HN 0.567 nan 8.270 nan 0.000 0.436 199 R N 0.099 120.601 120.500 0.003 0.000 2.159 199 R HA -0.054 4.287 4.340 0.001 0.000 0.237 199 R C 1.787 178.091 176.300 0.006 0.000 1.131 199 R CA 1.393 57.495 56.100 0.004 0.000 0.982 199 R CB -0.247 30.055 30.300 0.004 0.000 0.868 199 R HN 0.143 nan 8.270 nan 0.000 0.453 200 M N 1.056 120.663 119.600 0.010 0.000 2.506 200 M HA 0.166 4.647 4.480 0.001 0.000 0.260 200 M C 0.695 177.001 176.300 0.011 0.000 1.104 200 M CA 0.258 55.567 55.300 0.015 0.000 1.112 200 M CB -0.200 32.416 32.600 0.026 0.000 1.401 200 M HN 0.095 nan 8.290 nan 0.000 0.473 201 I N 1.176 121.749 120.570 0.005 0.000 2.752 201 I HA -0.008 4.163 4.170 0.001 0.000 0.289 201 I C 1.296 177.412 176.117 -0.001 0.000 1.197 201 I CA 0.682 61.982 61.300 -0.000 0.000 1.432 201 I CB -0.135 37.863 38.000 -0.004 0.000 1.359 201 I HN 0.609 nan 8.210 nan 0.000 0.571 202 G N 4.023 112.821 108.800 -0.003 0.000 2.171 202 G HA2 -0.244 3.717 3.960 0.001 0.000 0.238 202 G HA3 -0.244 3.717 3.960 0.001 0.000 0.238 202 G C 0.432 175.332 174.900 0.001 0.000 1.039 202 G CA 0.339 45.437 45.100 -0.003 0.000 0.759 202 G HN 0.869 nan 8.290 nan 0.000 0.501 203 T N -2.942 111.615 114.554 0.005 0.000 3.144 203 T HA 0.394 4.745 4.350 0.001 0.000 0.290 203 T C 0.500 175.209 174.700 0.014 0.000 0.966 203 T CA 0.865 62.971 62.100 0.009 0.000 0.907 203 T CB 0.334 69.210 68.868 0.013 0.000 1.152 203 T HN 0.631 nan 8.240 nan 0.000 0.532 204 D N 1.165 121.571 120.400 0.011 0.000 2.835 204 D HA -0.124 4.516 4.640 0.001 0.000 0.230 204 D C 0.572 176.892 176.300 0.033 0.000 1.130 204 D CA 0.836 54.844 54.000 0.014 0.000 0.738 204 D CB -1.718 39.090 40.800 0.014 0.000 1.090 204 D HN 0.855 nan 8.370 nan 0.000 0.433 205 A N -0.098 122.744 122.820 0.036 0.000 2.409 205 A HA 0.359 4.680 4.320 0.001 0.000 0.246 205 A C 0.382 178.027 177.584 0.103 0.000 1.099 205 A CA -0.289 51.791 52.037 0.072 0.000 0.789 205 A CB 0.197 19.232 19.000 0.060 0.000 1.053 205 A HN 0.216 nan 8.150 nan 0.000 0.503 206 F N 0.726 120.673 119.950 -0.006 0.000 2.608 206 F HA 0.165 4.692 4.527 0.001 0.000 0.380 206 F C 1.208 177.005 175.800 -0.006 0.000 1.083 206 F CA 1.025 59.021 58.000 -0.006 0.000 1.266 206 F CB -0.252 38.745 39.000 -0.005 0.000 1.076 206 F HN 0.773 nan 8.300 nan 0.000 0.574 207 Q N 2.140 121.522 119.800 -0.697 0.000 2.457 207 Q HA -0.287 4.053 4.340 0.001 0.000 0.283 207 Q C -0.447 175.389 176.000 -0.274 0.000 1.234 207 Q CA 1.304 56.743 55.803 -0.606 0.000 0.877 207 Q CB -1.492 26.706 28.738 -0.900 0.000 1.250 207 Q HN 0.867 nan 8.270 nan 0.000 0.481 208 E N -0.296 119.809 120.200 -0.158 0.000 2.244 208 E HA 0.739 5.089 4.350 0.001 0.000 0.266 208 E C -0.406 176.150 176.600 -0.073 0.000 0.914 208 E CA -0.342 56.003 56.400 -0.090 0.000 0.794 208 E CB 1.991 31.663 29.700 -0.047 0.000 1.210 208 E HN 0.142 nan 8.360 nan 0.000 0.414 209 T N -0.460 114.058 114.554 -0.060 0.000 3.097 209 T HA 0.332 4.682 4.350 0.001 0.000 0.332 209 T C -2.691 171.984 174.700 -0.042 0.000 1.269 209 T CA -1.679 60.390 62.100 -0.050 0.000 1.076 209 T CB 1.394 70.228 68.868 -0.057 0.000 1.209 209 T HN 0.432 nan 8.240 nan 0.000 0.474 210 P HA 0.157 nan 4.420 nan 0.000 0.238 210 P C 0.833 178.111 177.300 -0.036 0.000 1.679 210 P CA -0.361 62.720 63.100 -0.032 0.000 1.080 210 P CB -0.231 31.452 31.700 -0.029 0.000 1.961 211 I N 2.419 122.967 120.570 -0.038 0.000 2.335 211 I HA -0.233 3.938 4.170 0.001 0.000 0.251 211 I C 2.000 178.092 176.117 -0.043 0.000 1.129 211 I CA 1.397 62.672 61.300 -0.041 0.000 1.402 211 I CB -0.224 37.752 38.000 -0.040 0.000 1.069 211 I HN -0.048 nan 8.210 nan 0.000 0.424 212 V N 0.166 120.054 119.914 -0.044 0.000 2.453 212 V HA -0.177 3.943 4.120 0.001 0.000 0.247 212 V C 2.548 178.608 176.094 -0.056 0.000 1.048 212 V CA 1.601 63.867 62.300 -0.057 0.000 1.049 212 V CB -0.727 31.060 31.823 -0.060 0.000 0.672 212 V HN 0.385 nan 8.190 nan 0.000 0.457 213 E N 0.324 120.498 120.200 -0.045 0.000 2.031 213 E HA -0.161 4.189 4.350 0.001 0.000 0.193 213 E C 2.332 178.909 176.600 -0.037 0.000 0.994 213 E CA 1.375 57.751 56.400 -0.039 0.000 0.800 213 E CB -0.335 29.346 29.700 -0.032 0.000 0.752 213 E HN 0.420 nan 8.360 nan 0.000 0.447 214 V N 1.181 121.073 119.914 -0.037 0.000 2.255 214 V HA -0.282 3.838 4.120 0.001 0.000 0.247 214 V C 2.603 178.675 176.094 -0.036 0.000 1.051 214 V CA 2.489 64.768 62.300 -0.035 0.000 1.018 214 V CB -1.056 30.744 31.823 -0.037 0.000 0.641 214 V HN 0.465 nan 8.190 nan 0.000 0.445 215 T N -1.967 112.562 114.554 -0.041 0.000 3.113 215 T HA -0.094 4.256 4.350 0.001 0.000 0.256 215 T C 1.755 176.429 174.700 -0.043 0.000 1.131 215 T CA 0.800 62.875 62.100 -0.041 0.000 1.074 215 T CB -0.297 68.545 68.868 -0.044 0.000 0.944 215 T HN 0.365 nan 8.240 nan 0.000 0.516 216 R N 2.244 122.716 120.500 -0.047 0.000 2.103 216 R HA -0.139 4.201 4.340 0.001 0.000 0.242 216 R C 2.454 178.737 176.300 -0.028 0.000 1.142 216 R CA 2.173 58.245 56.100 -0.046 0.000 0.960 216 R CB -0.531 29.743 30.300 -0.045 0.000 0.858 216 R HN 0.595 nan 8.270 nan 0.000 0.439 217 S N -0.198 115.487 115.700 -0.024 0.000 2.562 217 S HA 0.003 4.474 4.470 0.001 0.000 0.221 217 S C 1.519 176.110 174.600 -0.015 0.000 0.975 217 S CA 0.489 58.679 58.200 -0.016 0.000 0.918 217 S CB -0.195 62.996 63.200 -0.016 0.000 0.772 217 S HN 0.584 nan 8.310 nan 0.000 0.531 218 I N 0.284 120.842 120.570 -0.019 0.000 3.936 218 I HA 0.381 4.551 4.170 0.001 0.000 0.330 218 I C -0.085 176.023 176.117 -0.015 0.000 1.509 218 I CA -0.546 60.744 61.300 -0.016 0.000 1.126 218 I CB 0.128 38.117 38.000 -0.019 0.000 1.115 218 I HN 0.187 nan 8.210 nan 0.000 0.424 219 T N -3.039 111.507 114.554 -0.014 0.000 2.896 219 T HA 0.335 4.686 4.350 0.001 0.000 0.297 219 T C 0.441 175.145 174.700 0.007 0.000 1.108 219 T CA -0.750 61.344 62.100 -0.010 0.000 1.004 219 T CB 2.852 71.706 68.868 -0.023 0.000 1.159 219 T HN 0.168 nan 8.240 nan 0.000 0.499 220 K N 0.031 120.442 120.400 0.017 0.000 2.148 220 K HA -0.054 4.266 4.320 0.001 0.000 0.204 220 K C 0.274 176.930 176.600 0.093 0.000 1.050 220 K CA 1.304 57.613 56.287 0.036 0.000 0.942 220 K CB -0.030 32.482 32.500 0.019 0.000 0.724 220 K HN 0.787 nan 8.250 nan 0.000 0.446 221 H N -1.407 117.624 119.070 -0.065 0.000 2.984 221 H HA 0.240 4.796 4.556 0.001 0.000 0.298 221 H C -2.005 173.263 175.328 -0.101 0.000 1.378 221 H CA -0.982 54.998 56.048 -0.114 0.000 1.241 221 H CB 0.786 30.462 29.762 -0.144 0.000 1.894 221 H HN 0.275 nan 8.280 nan 0.000 0.511 222 N N 0.775 119.020 118.700 -0.758 0.000 2.610 222 N HA 0.453 5.193 4.740 0.001 0.000 0.264 222 N C -1.997 173.094 175.510 -0.699 0.000 1.348 222 N CA -0.689 52.088 53.050 -0.456 0.000 0.819 222 N CB 1.488 39.851 38.487 -0.206 0.000 1.521 222 N HN 0.386 nan 8.380 nan 0.000 0.497 223 Y N -0.980 119.174 120.300 -0.244 0.000 2.609 223 Y HA 0.681 5.231 4.550 0.001 0.000 0.342 223 Y C -1.078 174.763 175.900 -0.098 0.000 1.058 223 Y CA -1.131 56.871 58.100 -0.163 0.000 1.055 223 Y CB 1.936 40.336 38.460 -0.100 0.000 1.292 223 Y HN 0.604 nan 8.280 nan 0.000 0.476 224 L N 2.046 123.329 121.223 0.100 0.000 2.442 224 L HA 0.588 4.928 4.340 0.001 0.000 0.261 224 L C -1.442 175.459 176.870 0.051 0.000 1.000 224 L CA -0.634 54.233 54.840 0.045 0.000 0.882 224 L CB 0.812 42.875 42.059 0.007 0.000 1.207 224 L HN 0.417 nan 8.230 nan 0.000 0.443 225 V N 6.333 126.270 119.914 0.039 0.000 2.509 225 V HA 0.018 4.139 4.120 0.001 0.000 0.297 225 V C 1.256 177.353 176.094 0.005 0.000 1.014 225 V CA 0.486 62.795 62.300 0.015 0.000 1.127 225 V CB 0.614 32.429 31.823 -0.012 0.000 0.925 225 V HN 0.793 nan 8.190 nan 0.000 0.480 226 M N 2.832 122.434 119.600 0.003 0.000 2.313 226 M HA 0.359 4.839 4.480 0.001 0.000 0.273 226 M C 0.215 176.507 176.300 -0.014 0.000 1.049 226 M CA 0.424 55.722 55.300 -0.003 0.000 1.004 226 M CB -0.054 32.547 32.600 0.002 0.000 1.461 226 M HN 0.759 nan 8.290 nan 0.000 0.514 227 D N -0.377 120.009 120.400 -0.023 0.000 2.878 227 D HA 0.058 4.699 4.640 0.001 0.000 0.211 227 D C 0.228 176.496 176.300 -0.054 0.000 1.271 227 D CA -0.081 53.898 54.000 -0.035 0.000 0.845 227 D CB 2.998 43.777 40.800 -0.035 0.000 1.679 227 D HN -0.196 nan 8.370 nan 0.000 0.536 228 V N 3.821 123.698 119.914 -0.061 0.000 2.546 228 V HA -0.188 3.932 4.120 0.001 0.000 0.254 228 V C 1.836 177.860 176.094 -0.117 0.000 1.076 228 V CA 1.879 64.129 62.300 -0.084 0.000 1.087 228 V CB -0.210 31.564 31.823 -0.082 0.000 0.674 228 V HN 0.505 nan 8.190 nan 0.000 0.470 229 E N -0.321 119.815 120.200 -0.107 0.000 2.204 229 E HA -0.175 4.175 4.350 0.001 0.000 0.194 229 E C 1.706 178.222 176.600 -0.140 0.000 0.989 229 E CA 1.370 57.691 56.400 -0.131 0.000 0.824 229 E CB -0.274 29.367 29.700 -0.099 0.000 0.756 229 E HN 0.713 nan 8.360 nan 0.000 0.477 230 D N 0.421 120.757 120.400 -0.106 0.000 2.355 230 D HA 0.035 4.675 4.640 0.001 0.000 0.218 230 D C 1.981 178.207 176.300 -0.122 0.000 1.004 230 D CA 0.030 53.971 54.000 -0.098 0.000 0.880 230 D CB 0.080 40.846 40.800 -0.055 0.000 0.911 230 D HN 0.212 nan 8.370 nan 0.000 0.528 231 I N 1.694 122.183 120.570 -0.135 0.000 2.091 231 I HA -0.256 3.915 4.170 0.001 0.000 0.239 231 I C -0.550 175.487 176.117 -0.132 0.000 1.061 231 I CA 1.501 62.725 61.300 -0.127 0.000 1.317 231 I CB -1.570 36.357 38.000 -0.121 0.000 1.031 231 I HN -0.000 nan 8.210 nan 0.000 0.401 232 P HA -0.208 nan 4.420 nan 0.000 0.215 232 P C 1.634 178.890 177.300 -0.072 0.000 1.157 232 P CA 1.597 64.596 63.100 -0.170 0.000 0.874 232 P CB -0.158 31.258 31.700 -0.473 0.000 0.790 233 R N -0.281 120.154 120.500 -0.108 0.000 2.073 233 R HA -0.093 4.247 4.340 0.001 0.000 0.234 233 R C 2.268 178.505 176.300 -0.104 0.000 1.134 233 R CA 1.452 57.505 56.100 -0.077 0.000 0.952 233 R CB -0.808 29.450 30.300 -0.071 0.000 0.850 233 R HN 0.156 nan 8.270 nan 0.000 0.433 234 I N 0.768 121.232 120.570 -0.177 0.000 2.226 234 I HA -0.287 3.883 4.170 0.001 0.000 0.245 234 I C 2.125 178.057 176.117 -0.307 0.000 1.100 234 I CA 0.803 61.866 61.300 -0.396 0.000 1.374 234 I CB -0.199 37.540 38.000 -0.435 0.000 1.057 234 I HN 0.205 nan 8.210 nan 0.000 0.413 235 I N 0.791 121.294 120.570 -0.111 0.000 2.286 235 I HA -0.271 3.899 4.170 0.001 0.000 0.248 235 I C 2.556 178.762 176.117 0.148 0.000 1.115 235 I CA 1.601 62.929 61.300 0.048 0.000 1.392 235 I CB -1.122 36.925 38.000 0.078 0.000 1.065 235 I HN 0.400 nan 8.210 nan 0.000 0.418 236 E N 1.126 121.365 120.200 0.064 0.000 2.106 236 E HA -0.214 4.137 4.350 0.001 0.000 0.192 236 E C 1.985 178.683 176.600 0.164 0.000 0.984 236 E CA 1.129 57.585 56.400 0.093 0.000 0.806 236 E CB 0.061 29.782 29.700 0.035 0.000 0.750 236 E HN 0.472 nan 8.360 nan 0.000 0.458 237 E N 0.085 120.338 120.200 0.088 0.000 2.106 237 E HA -0.165 4.185 4.350 0.001 0.000 0.192 237 E C 2.025 178.758 176.600 0.222 0.000 0.984 237 E CA 0.765 57.261 56.400 0.161 0.000 0.806 237 E CB -0.083 29.689 29.700 0.119 0.000 0.750 237 E HN 0.382 nan 8.360 nan 0.000 0.458 238 A N 0.783 123.672 122.820 0.115 0.000 1.877 238 A HA -0.175 4.145 4.320 0.001 0.000 0.216 238 A C 1.875 179.522 177.584 0.105 0.000 1.186 238 A CA 1.205 53.315 52.037 0.122 0.000 0.620 238 A CB -0.758 18.251 19.000 0.015 0.000 0.822 238 A HN 0.175 nan 8.150 nan 0.000 0.443 239 F N -1.528 118.461 119.950 0.066 0.000 2.186 239 F HA -0.056 4.472 4.527 0.001 0.000 0.299 239 F C 1.980 177.836 175.800 0.093 0.000 1.090 239 F CA 1.327 59.369 58.000 0.070 0.000 1.307 239 F CB -0.579 38.461 39.000 0.067 0.000 1.019 239 F HN 0.356 nan 8.300 nan 0.000 0.489 240 F N 0.550 120.614 119.950 0.189 0.000 2.075 240 F HA -0.197 4.330 4.527 0.001 0.000 0.297 240 F C 2.039 177.868 175.800 0.048 0.000 1.113 240 F CA 1.650 59.717 58.000 0.111 0.000 1.218 240 F CB -0.764 38.283 39.000 0.079 0.000 0.984 240 F HN -0.143 nan 8.300 nan 0.000 0.472 241 L N -0.134 121.017 121.223 -0.121 0.000 2.083 241 L HA -0.180 4.160 4.340 0.001 0.000 0.209 241 L C 2.739 179.485 176.870 -0.208 0.000 1.083 241 L CA 1.142 55.784 54.840 -0.330 0.000 0.752 241 L CB -1.048 40.892 42.059 -0.199 0.000 0.899 241 L HN 0.282 nan 8.230 nan 0.000 0.433 242 A N -0.305 122.449 122.820 -0.109 0.000 1.969 242 A HA -0.186 4.134 4.320 0.001 0.000 0.218 242 A C 2.301 179.836 177.584 -0.081 0.000 1.169 242 A CA 2.163 54.142 52.037 -0.096 0.000 0.635 242 A CB -0.667 18.244 19.000 -0.148 0.000 0.810 242 A HN 0.517 nan 8.150 nan 0.000 0.445 243 T N -2.728 111.776 114.554 -0.083 0.000 3.014 243 T HA 0.207 4.557 4.350 0.001 0.000 0.250 243 T C 0.983 175.630 174.700 -0.088 0.000 1.060 243 T CA 0.584 62.656 62.100 -0.047 0.000 1.040 243 T CB -0.464 68.420 68.868 0.027 0.000 0.971 243 T HN 0.519 nan 8.240 nan 0.000 0.497 244 S N 0.261 115.835 115.700 -0.209 0.000 2.669 244 S HA 0.665 5.136 4.470 0.001 0.000 0.270 244 S C 1.386 175.948 174.600 -0.062 0.000 1.225 244 S CA -0.137 57.937 58.200 -0.210 0.000 0.991 244 S CB 0.587 63.454 63.200 -0.556 0.000 0.987 244 S HN 1.030 nan 8.310 nan 0.000 0.552 245 G N 1.606 110.383 108.800 -0.039 0.000 2.660 245 G HA2 -0.361 3.600 3.960 0.001 0.000 0.321 245 G HA3 -0.361 3.600 3.960 0.001 0.000 0.321 245 G C 0.011 174.903 174.900 -0.014 0.000 1.246 245 G CA 0.679 45.764 45.100 -0.025 0.000 1.000 245 G HN 1.074 nan 8.290 nan 0.000 0.550 246 R N 2.065 122.569 120.500 0.007 0.000 2.204 246 R HA 0.495 4.835 4.340 0.001 0.000 0.341 246 R C -2.362 173.941 176.300 0.006 0.000 1.035 246 R CA -1.628 54.475 56.100 0.004 0.000 0.887 246 R CB 0.868 31.173 30.300 0.008 0.000 1.114 246 R HN 0.268 nan 8.270 nan 0.000 0.473 247 P HA 0.062 nan 4.420 nan 0.000 0.266 247 P C -0.541 176.755 177.300 -0.008 0.000 1.186 247 P CA 0.228 63.322 63.100 -0.011 0.000 0.767 247 P CB 0.866 32.565 31.700 -0.002 0.000 0.820 248 G N 1.524 110.313 108.800 -0.017 0.000 2.506 248 G HA2 0.471 4.431 3.960 0.001 0.000 0.292 248 G HA3 0.471 4.431 3.960 0.001 0.000 0.292 248 G C -3.357 171.529 174.900 -0.023 0.000 1.425 248 G CA -0.947 44.145 45.100 -0.012 0.000 0.788 248 G HN 0.264 nan 8.290 nan 0.000 0.490 249 P HA 0.504 nan 4.420 nan 0.000 0.279 249 P C -0.761 176.528 177.300 -0.018 0.000 1.239 249 P CA -0.325 62.760 63.100 -0.025 0.000 0.789 249 P CB 2.020 33.712 31.700 -0.015 0.000 0.933 250 V N 4.679 124.576 119.914 -0.030 0.000 2.577 250 V HA 0.347 4.467 4.120 0.001 0.000 0.303 250 V C 0.093 176.186 176.094 -0.002 0.000 1.042 250 V CA -0.751 61.556 62.300 0.011 0.000 0.872 250 V CB 1.980 33.833 31.823 0.051 0.000 0.998 250 V HN 0.496 nan 8.190 nan 0.000 0.423 251 L N 5.595 126.825 121.223 0.011 0.000 2.317 251 L HA 0.817 5.157 4.340 0.001 0.000 0.281 251 L C -1.101 175.801 176.870 0.054 0.000 1.024 251 L CA -0.448 54.395 54.840 0.005 0.000 0.810 251 L CB 1.831 43.877 42.059 -0.021 0.000 1.240 251 L HN 0.472 nan 8.230 nan 0.000 0.427 252 V N 3.618 123.554 119.914 0.036 0.000 2.407 252 V HA 0.299 4.420 4.120 0.001 0.000 0.291 252 V C -0.869 175.238 176.094 0.021 0.000 1.018 252 V CA -0.571 61.758 62.300 0.049 0.000 0.842 252 V CB 1.554 33.376 31.823 -0.001 0.000 0.996 252 V HN 0.661 nan 8.190 nan 0.000 0.426 253 D N 3.824 124.240 120.400 0.027 0.000 2.317 253 D HA 0.440 5.080 4.640 0.001 0.000 0.234 253 D C -0.581 175.722 176.300 0.005 0.000 1.112 253 D CA 0.052 54.056 54.000 0.007 0.000 0.840 253 D CB 1.632 42.432 40.800 -0.000 0.000 1.078 253 D HN 0.285 nan 8.370 nan 0.000 0.486 254 V N 6.233 126.146 119.914 -0.002 0.000 2.313 254 V HA 0.352 4.473 4.120 0.001 0.000 0.278 254 V C -2.097 173.995 176.094 -0.004 0.000 1.017 254 V CA -1.854 60.443 62.300 -0.005 0.000 0.823 254 V CB 1.329 33.147 31.823 -0.009 0.000 1.010 254 V HN 0.486 nan 8.190 nan 0.000 0.443 255 P HA 0.079 nan 4.420 nan 0.000 0.266 255 P C 0.844 178.145 177.300 0.001 0.000 1.195 255 P CA -0.047 63.052 63.100 -0.001 0.000 0.768 255 P CB 0.873 32.572 31.700 -0.003 0.000 0.838 256 K N 3.620 124.025 120.400 0.008 0.000 2.074 256 K HA -0.238 4.082 4.320 0.001 0.000 0.209 256 K C 1.374 177.979 176.600 0.008 0.000 1.048 256 K CA 2.155 58.450 56.287 0.013 0.000 0.926 256 K CB -0.378 32.137 32.500 0.024 0.000 0.713 256 K HN 0.517 nan 8.250 nan 0.000 0.444 257 D N 0.688 121.091 120.400 0.005 0.000 2.178 257 D HA -0.194 4.446 4.640 0.001 0.000 0.201 257 D C 1.874 178.170 176.300 -0.008 0.000 0.980 257 D CA 0.871 54.871 54.000 0.000 0.000 0.842 257 D CB -0.231 40.569 40.800 0.000 0.000 0.948 257 D HN 0.232 nan 8.370 nan 0.000 0.472 258 I N 1.075 121.638 120.570 -0.011 0.000 2.394 258 I HA -0.177 3.994 4.170 0.001 0.000 0.251 258 I C 2.466 178.569 176.117 -0.025 0.000 1.136 258 I CA 0.853 62.140 61.300 -0.021 0.000 1.425 258 I CB -0.906 37.080 38.000 -0.023 0.000 1.079 258 I HN 0.105 nan 8.210 nan 0.000 0.425 259 Q N 0.149 119.940 119.800 -0.015 0.000 2.119 259 Q HA -0.184 4.156 4.340 0.001 0.000 0.201 259 Q C 1.921 177.913 176.000 -0.014 0.000 0.972 259 Q CA 1.188 56.983 55.803 -0.013 0.000 0.847 259 Q CB -0.038 28.700 28.738 -0.000 0.000 0.903 259 Q HN 0.615 nan 8.270 nan 0.000 0.433 260 Q N 0.153 119.948 119.800 -0.008 0.000 2.425 260 Q HA 0.014 4.355 4.340 0.001 0.000 0.204 260 Q C 0.261 176.253 176.000 -0.014 0.000 0.933 260 Q CA -0.089 55.710 55.803 -0.006 0.000 0.939 260 Q CB 0.292 29.031 28.738 0.002 0.000 1.044 260 Q HN 0.281 nan 8.270 nan 0.000 0.513 261 Q N 1.319 121.106 119.800 -0.023 0.000 2.332 261 Q HA 0.185 4.525 4.340 0.001 0.000 0.263 261 Q C -0.963 175.012 176.000 -0.042 0.000 0.979 261 Q CA -0.058 55.727 55.803 -0.030 0.000 0.885 261 Q CB 0.596 29.314 28.738 -0.033 0.000 1.218 261 Q HN 0.208 nan 8.270 nan 0.000 0.405 262 L N 3.228 124.428 121.223 -0.038 0.000 2.350 262 L HA 0.740 5.080 4.340 0.001 0.000 0.275 262 L C -0.221 176.614 176.870 -0.060 0.000 1.099 262 L CA -0.381 54.431 54.840 -0.046 0.000 0.808 262 L CB 1.278 43.321 42.059 -0.027 0.000 1.149 262 L HN 0.838 nan 8.230 nan 0.000 0.442 263 A N 3.522 126.293 122.820 -0.081 0.000 2.586 263 A HA 0.687 5.007 4.320 0.001 0.000 0.290 263 A C -1.471 176.048 177.584 -0.108 0.000 1.086 263 A CA -0.560 51.421 52.037 -0.093 0.000 0.665 263 A CB 1.396 20.328 19.000 -0.113 0.000 1.279 263 A HN 0.408 nan 8.150 nan 0.000 0.423 264 I N 2.759 123.264 120.570 -0.108 0.000 2.337 264 I HA 0.316 4.487 4.170 0.001 0.000 0.285 264 I C -2.077 173.926 176.117 -0.190 0.000 1.041 264 I CA -1.861 59.376 61.300 -0.105 0.000 1.199 264 I CB 0.556 38.520 38.000 -0.060 0.000 1.370 264 I HN 0.444 nan 8.210 nan 0.000 0.470 265 P HA 0.065 nan 4.420 nan 0.000 0.268 265 P C -0.460 176.449 177.300 -0.652 0.000 1.204 265 P CA -0.123 62.615 63.100 -0.602 0.000 0.768 265 P CB 1.069 32.233 31.700 -0.893 0.000 0.842 266 N N 2.435 120.758 118.700 -0.627 0.000 2.501 266 N HA 0.141 4.882 4.740 0.001 0.000 0.245 266 N C -0.429 174.826 175.510 -0.425 0.000 0.974 266 N CA -0.724 52.093 53.050 -0.389 0.000 0.941 266 N CB 0.406 38.763 38.487 -0.217 0.000 1.122 266 N HN 0.394 nan 8.380 nan 0.000 0.507 267 W N 2.483 123.752 121.300 -0.051 0.000 3.433 267 W HA 0.229 4.889 4.660 0.001 0.000 0.376 267 W C 0.859 177.340 176.519 -0.062 0.000 1.160 267 W CA -0.534 56.769 57.345 -0.071 0.000 1.832 267 W CB 0.469 29.877 29.460 -0.086 0.000 1.011 267 W HN 0.505 nan 8.180 nan 0.000 0.766 268 E N -0.413 119.829 120.200 0.071 0.000 2.453 268 E HA 0.031 4.382 4.350 0.001 0.000 0.211 268 E C 0.484 177.084 176.600 -0.000 0.000 0.897 268 E CA 0.165 56.590 56.400 0.041 0.000 1.063 268 E CB -0.221 29.497 29.700 0.030 0.000 1.080 268 E HN 0.362 nan 8.360 nan 0.000 0.512 269 Q N 1.221 121.002 119.800 -0.031 0.000 2.431 269 Q HA 0.079 4.420 4.340 0.001 0.000 0.349 269 Q C -0.052 175.929 176.000 -0.032 0.000 1.119 269 Q CA 0.314 56.092 55.803 -0.042 0.000 1.065 269 Q CB 0.296 28.992 28.738 -0.069 0.000 1.149 269 Q HN 0.098 nan 8.270 nan 0.000 0.403 270 A N 3.820 126.621 122.820 -0.032 0.000 2.327 270 A HA 0.419 4.740 4.320 0.001 0.000 0.283 270 A C -0.031 177.530 177.584 -0.039 0.000 1.127 270 A CA -0.611 51.403 52.037 -0.037 0.000 0.810 270 A CB 0.464 19.444 19.000 -0.033 0.000 1.066 270 A HN 0.753 nan 8.150 nan 0.000 0.492 271 M N 1.534 121.099 119.600 -0.059 0.000 2.248 271 M HA 0.137 4.618 4.480 0.001 0.000 0.337 271 M C 0.407 176.695 176.300 -0.020 0.000 1.121 271 M CA 0.798 56.069 55.300 -0.048 0.000 1.155 271 M CB 0.343 32.878 32.600 -0.108 0.000 1.514 271 M HN 0.604 nan 8.290 nan 0.000 0.452 272 R N 3.547 124.060 120.500 0.022 0.000 3.436 272 R HA 0.360 4.700 4.340 0.001 0.000 0.247 272 R C -0.711 175.623 176.300 0.056 0.000 1.434 272 R CA -0.062 56.060 56.100 0.037 0.000 1.543 272 R CB -0.148 30.184 30.300 0.053 0.000 1.289 272 R HN 0.641 nan 8.270 nan 0.000 0.664 273 L N 2.057 123.309 121.223 0.049 0.000 3.059 273 L HA 0.249 4.590 4.340 0.001 0.000 0.298 273 L C -1.459 175.477 176.870 0.110 0.000 1.304 273 L CA -1.213 53.684 54.840 0.095 0.000 0.855 273 L CB 1.033 43.178 42.059 0.142 0.000 1.266 273 L HN 0.180 nan 8.230 nan 0.000 0.572 274 P HA -0.185 nan 4.420 nan 0.000 0.215 274 P C 1.543 178.881 177.300 0.063 0.000 1.157 274 P CA 1.809 64.941 63.100 0.052 0.000 0.874 274 P CB 0.361 32.079 31.700 0.031 0.000 0.790 275 G N -1.045 107.797 108.800 0.069 0.000 2.414 275 G HA2 -0.290 3.670 3.960 0.001 0.000 0.215 275 G HA3 -0.290 3.670 3.960 0.001 0.000 0.215 275 G C 1.682 176.631 174.900 0.082 0.000 1.188 275 G CA 0.670 45.805 45.100 0.059 0.000 0.783 275 G HN 0.200 nan 8.290 nan 0.000 0.537 276 Y N 1.122 121.429 120.300 0.012 0.000 2.081 276 Y HA -0.186 4.364 4.550 0.001 0.000 0.280 276 Y C 2.954 178.897 175.900 0.071 0.000 1.163 276 Y CA 2.249 60.368 58.100 0.032 0.000 1.135 276 Y CB -0.167 38.325 38.460 0.054 0.000 0.970 276 Y HN 0.151 nan 8.280 nan 0.000 0.498 277 M N -0.565 119.171 119.600 0.226 0.000 2.175 277 M HA -0.174 4.306 4.480 0.001 0.000 0.264 277 M C 2.235 178.546 176.300 0.018 0.000 1.063 277 M CA 1.865 57.253 55.300 0.147 0.000 1.119 277 M CB -0.483 32.220 32.600 0.171 0.000 1.377 277 M HN 0.443 nan 8.290 nan 0.000 0.415 278 S N 0.172 115.878 115.700 0.010 0.000 2.555 278 S HA -0.015 4.456 4.470 0.001 0.000 0.230 278 S C 1.825 176.395 174.600 -0.050 0.000 0.978 278 S CA 0.981 59.173 58.200 -0.014 0.000 0.934 278 S CB -0.597 62.601 63.200 -0.003 0.000 0.766 278 S HN 0.561 nan 8.310 nan 0.000 0.533 279 R N 0.415 120.854 120.500 -0.100 0.000 2.437 279 R HA 0.566 4.907 4.340 0.001 0.000 0.257 279 R C 0.628 176.808 176.300 -0.199 0.000 0.927 279 R CA 0.051 56.068 56.100 -0.138 0.000 1.078 279 R CB -0.727 29.486 30.300 -0.145 0.000 1.161 279 R HN 0.611 nan 8.270 nan 0.000 0.529 280 M N 2.574 122.052 119.600 -0.204 0.000 2.227 280 M HA 0.206 4.687 4.480 0.001 0.000 0.349 280 M C -2.050 174.180 176.300 -0.117 0.000 1.443 280 M CA -1.451 53.731 55.300 -0.197 0.000 1.110 280 M CB 0.782 33.313 32.600 -0.116 0.000 1.773 280 M HN -0.000 nan 8.290 nan 0.000 0.463 281 P HA 0.013 nan 4.420 nan 0.000 0.264 281 P C -0.263 176.995 177.300 -0.070 0.000 1.173 281 P CA 0.501 63.543 63.100 -0.096 0.000 0.761 281 P CB 0.321 31.958 31.700 -0.105 0.000 0.794 282 K N 3.612 123.973 120.400 -0.065 0.000 2.095 282 K HA 0.489 4.810 4.320 0.001 0.000 0.252 282 K C -2.263 174.306 176.600 -0.051 0.000 0.977 282 K CA -1.737 54.522 56.287 -0.046 0.000 0.900 282 K CB -0.987 31.491 32.500 -0.036 0.000 1.060 282 K HN 0.494 nan 8.250 nan 0.000 0.449 283 P HA 0.113 nan 4.420 nan 0.000 0.267 283 P C -2.372 174.901 177.300 -0.045 0.000 1.200 283 P CA -0.688 62.389 63.100 -0.038 0.000 0.772 283 P CB -0.347 31.341 31.700 -0.020 0.000 0.855 284 P HA 0.070 nan 4.420 nan 0.000 0.266 284 P C -0.245 177.050 177.300 -0.009 0.000 1.195 284 P CA 0.343 63.407 63.100 -0.060 0.000 0.768 284 P CB 0.814 32.468 31.700 -0.078 0.000 0.838 285 E N 1.507 121.727 120.200 0.033 0.000 2.301 285 E HA 0.046 4.396 4.350 0.001 0.000 0.275 285 E C 0.726 177.378 176.600 0.087 0.000 1.030 285 E CA -0.584 55.863 56.400 0.079 0.000 0.852 285 E CB 0.634 30.422 29.700 0.147 0.000 1.060 285 E HN 0.421 nan 8.360 nan 0.000 0.401 286 D N 1.394 121.828 120.400 0.057 0.000 2.265 286 D HA -0.164 4.477 4.640 0.001 0.000 0.208 286 D C 1.738 178.069 176.300 0.053 0.000 0.977 286 D CA 0.926 54.956 54.000 0.050 0.000 0.871 286 D CB 0.016 40.837 40.800 0.035 0.000 0.925 286 D HN 0.284 nan 8.370 nan 0.000 0.485 287 S N 0.184 115.913 115.700 0.048 0.000 2.363 287 S HA -0.220 4.250 4.470 0.001 0.000 0.218 287 S C 1.899 176.493 174.600 -0.010 0.000 1.035 287 S CA 1.115 59.311 58.200 -0.007 0.000 1.043 287 S CB -0.325 62.840 63.200 -0.058 0.000 0.986 287 S HN 0.327 nan 8.310 nan 0.000 0.423 288 H N 1.178 120.254 119.070 0.010 0.000 2.289 288 H HA -0.056 4.500 4.556 0.001 0.000 0.296 288 H C 2.307 177.650 175.328 0.024 0.000 1.091 288 H CA 1.852 57.908 56.048 0.014 0.000 1.274 288 H CB -0.657 29.106 29.762 0.001 0.000 1.364 288 H HN 0.366 nan 8.280 nan 0.000 0.490 289 L N 0.504 121.819 121.223 0.154 0.000 2.129 289 L HA -0.204 4.136 4.340 0.001 0.000 0.212 289 L C 2.578 179.507 176.870 0.097 0.000 1.087 289 L CA 1.224 56.124 54.840 0.099 0.000 0.757 289 L CB -0.359 41.739 42.059 0.065 0.000 0.896 289 L HN 0.238 nan 8.230 nan 0.000 0.434 290 E N 0.113 120.359 120.200 0.076 0.000 2.072 290 E HA -0.256 4.094 4.350 0.001 0.000 0.191 290 E C 2.211 178.848 176.600 0.063 0.000 0.985 290 E CA 1.106 57.543 56.400 0.060 0.000 0.801 290 E CB -0.009 29.712 29.700 0.035 0.000 0.750 290 E HN 0.351 nan 8.360 nan 0.000 0.452 291 Q N -0.180 119.654 119.800 0.056 0.000 2.124 291 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 291 Q C 2.074 178.127 176.000 0.088 0.000 0.977 291 Q CA 1.409 57.245 55.803 0.055 0.000 0.850 291 Q CB -0.049 28.711 28.738 0.036 0.000 0.901 291 Q HN 0.376 nan 8.270 nan 0.000 0.429 292 I N -0.295 120.346 120.570 0.120 0.000 2.163 292 I HA -0.258 3.912 4.170 0.001 0.000 0.240 292 I C 2.177 178.393 176.117 0.164 0.000 1.081 292 I CA 0.845 62.239 61.300 0.157 0.000 1.353 292 I CB -0.332 37.782 38.000 0.190 0.000 1.054 292 I HN 0.054 nan 8.210 nan 0.000 0.407 293 V N 1.028 121.039 119.914 0.163 0.000 2.546 293 V HA -0.294 3.826 4.120 0.001 0.000 0.254 293 V C 2.577 178.738 176.094 0.112 0.000 1.076 293 V CA 1.986 64.379 62.300 0.154 0.000 1.087 293 V CB -0.978 30.923 31.823 0.130 0.000 0.674 293 V HN 0.434 nan 8.190 nan 0.000 0.470 294 R N -0.225 120.329 120.500 0.090 0.000 2.075 294 R HA -0.016 4.325 4.340 0.001 0.000 0.226 294 R C 2.258 178.598 176.300 0.066 0.000 1.114 294 R CA 1.102 57.241 56.100 0.065 0.000 0.972 294 R CB -0.199 30.131 30.300 0.048 0.000 0.869 294 R HN 0.432 nan 8.270 nan 0.000 0.437 295 L N 0.636 121.903 121.223 0.073 0.000 2.131 295 L HA -0.169 4.171 4.340 0.001 0.000 0.210 295 L C 2.296 179.204 176.870 0.063 0.000 1.092 295 L CA 1.143 56.017 54.840 0.056 0.000 0.759 295 L CB -0.259 41.836 42.059 0.059 0.000 0.903 295 L HN 0.266 nan 8.230 nan 0.000 0.435 296 I N -0.553 120.079 120.570 0.104 0.000 2.113 296 I HA -0.303 3.867 4.170 0.001 0.000 0.238 296 I C 2.766 179.011 176.117 0.214 0.000 1.070 296 I CA 1.671 63.056 61.300 0.141 0.000 1.332 296 I CB -0.517 37.590 38.000 0.179 0.000 1.044 296 I HN 0.349 nan 8.210 nan 0.000 0.402 297 S N 0.312 116.105 115.700 0.155 0.000 2.419 297 S HA -0.213 4.258 4.470 0.001 0.000 0.235 297 S C 1.602 176.252 174.600 0.083 0.000 1.019 297 S CA 1.268 59.533 58.200 0.107 0.000 0.982 297 S CB -0.542 62.688 63.200 0.050 0.000 0.789 297 S HN 0.512 nan 8.310 nan 0.000 0.490 298 E N 1.529 121.771 120.200 0.071 0.000 2.489 298 E HA 0.117 4.468 4.350 0.001 0.000 0.193 298 E C 0.482 177.101 176.600 0.032 0.000 1.057 298 E CA 0.165 56.588 56.400 0.038 0.000 0.866 298 E CB 0.345 30.056 29.700 0.018 0.000 0.916 298 E HN 0.720 nan 8.360 nan 0.000 0.500 299 S N -0.948 114.797 115.700 0.074 0.000 2.690 299 S HA 0.600 5.070 4.470 0.001 0.000 0.291 299 S C 0.634 175.300 174.600 0.110 0.000 1.138 299 S CA -0.246 57.965 58.200 0.017 0.000 1.013 299 S CB 1.970 65.123 63.200 -0.078 0.000 1.053 299 S HN 0.044 nan 8.310 nan 0.000 0.539 300 K N 0.537 120.908 120.400 -0.048 0.000 2.424 300 K HA 0.401 4.721 4.320 0.001 0.000 0.198 300 K C 0.684 177.119 176.600 -0.274 0.000 1.190 300 K CA 0.241 56.521 56.287 -0.012 0.000 0.935 300 K CB -0.234 32.230 32.500 -0.061 0.000 1.087 300 K HN 0.719 nan 8.250 nan 0.000 0.524 301 K N 2.346 122.335 120.400 -0.685 0.000 2.800 301 K HA 0.237 4.557 4.320 0.001 0.000 0.185 301 K C -2.943 172.964 176.600 -1.154 0.000 1.082 301 K CA -1.805 53.483 56.287 -1.665 0.000 0.978 301 K CB 1.800 33.145 32.500 -1.925 0.000 1.364 301 K HN 0.249 nan 8.250 nan 0.000 0.592 302 P HA 0.175 nan 4.420 nan 0.000 0.278 302 P C -0.448 176.762 177.300 -0.149 0.000 1.238 302 P CA -0.363 62.453 63.100 -0.475 0.000 0.794 302 P CB 1.691 32.970 31.700 -0.701 0.000 0.955 303 V N 3.774 123.624 119.914 -0.107 0.000 2.668 303 V HA 0.260 4.380 4.120 0.001 0.000 0.304 303 V C 0.218 176.256 176.094 -0.093 0.000 1.071 303 V CA -0.687 61.606 62.300 -0.012 0.000 0.894 303 V CB 2.005 33.854 31.823 0.043 0.000 1.008 303 V HN 0.421 nan 8.190 nan 0.000 0.425 304 L N 4.629 125.794 121.223 -0.097 0.000 2.290 304 L HA 0.403 4.743 4.340 0.001 0.000 0.284 304 L C -0.813 176.019 176.870 -0.065 0.000 1.078 304 L CA -0.453 54.286 54.840 -0.169 0.000 0.815 304 L CB 0.695 42.660 42.059 -0.157 0.000 1.162 304 L HN 0.759 nan 8.230 nan 0.000 0.435 305 Y N 5.140 125.284 120.300 -0.259 0.000 2.919 305 Y HA 0.421 4.971 4.550 0.001 0.000 0.341 305 Y C -0.704 175.099 175.900 -0.163 0.000 1.045 305 Y CA -1.281 56.708 58.100 -0.185 0.000 1.218 305 Y CB 0.365 38.710 38.460 -0.193 0.000 1.137 305 Y HN 0.185 nan 8.280 nan 0.000 0.577 306 V N 4.981 124.876 119.914 -0.032 0.000 2.583 306 V HA 0.679 4.800 4.120 0.001 0.000 0.287 306 V C 0.756 176.814 176.094 -0.060 0.000 1.051 306 V CA 0.512 62.778 62.300 -0.057 0.000 1.010 306 V CB 0.823 32.661 31.823 0.025 0.000 0.988 306 V HN 0.869 nan 8.190 nan 0.000 0.478 307 G N 2.436 111.180 108.800 -0.092 0.000 3.211 307 G HA2 0.526 4.487 3.960 0.001 0.000 0.262 307 G HA3 0.526 4.487 3.960 0.001 0.000 0.262 307 G C 0.965 175.864 174.900 -0.001 0.000 1.352 307 G CA -0.019 45.042 45.100 -0.065 0.000 1.004 307 G HN 0.859 nan 8.290 nan 0.000 0.559 308 G N -0.414 108.391 108.800 0.008 0.000 2.485 308 G HA2 0.052 4.012 3.960 0.001 0.000 0.221 308 G HA3 0.052 4.012 3.960 0.001 0.000 0.221 308 G C 1.588 176.502 174.900 0.024 0.000 1.115 308 G CA 1.548 46.664 45.100 0.027 0.000 0.751 308 G HN 1.105 nan 8.290 nan 0.000 0.567 309 G N -0.626 108.182 108.800 0.012 0.000 2.708 309 G HA2 -0.033 3.927 3.960 0.001 0.000 0.210 309 G HA3 -0.033 3.927 3.960 0.001 0.000 0.210 309 G C 1.125 176.036 174.900 0.018 0.000 1.141 309 G CA 1.001 46.109 45.100 0.013 0.000 0.788 309 G HN 0.464 nan 8.290 nan 0.000 0.531 310 C N 0.165 119.485 119.300 0.034 0.000 3.038 310 C HA 0.348 4.808 4.460 0.001 0.000 0.279 310 C C 2.340 177.365 174.990 0.058 0.000 1.276 310 C CA -0.603 58.443 59.018 0.046 0.000 1.697 310 C CB -0.845 26.939 27.740 0.072 0.000 2.032 310 C HN 0.422 nan 8.230 nan 0.000 0.636 311 L N 1.359 122.615 121.223 0.054 0.000 2.450 311 L HA -0.162 4.178 4.340 0.001 0.000 0.225 311 L C 1.520 178.425 176.870 0.058 0.000 1.145 311 L CA 1.508 56.386 54.840 0.062 0.000 0.801 311 L CB -0.562 41.531 42.059 0.056 0.000 0.924 311 L HN 0.595 nan 8.230 nan 0.000 0.447 312 N N -1.881 116.847 118.700 0.046 0.000 2.177 312 N HA 0.071 4.811 4.740 0.001 0.000 0.218 312 N C 0.272 175.807 175.510 0.041 0.000 1.182 312 N CA -0.163 52.912 53.050 0.042 0.000 0.882 312 N CB 0.771 39.277 38.487 0.031 0.000 1.052 312 N HN 0.023 nan 8.380 nan 0.000 0.519 313 S N -0.536 115.192 115.700 0.047 0.000 2.661 313 S HA 0.122 4.592 4.470 0.001 0.000 0.245 313 S C 1.115 175.764 174.600 0.080 0.000 1.117 313 S CA -0.410 57.818 58.200 0.046 0.000 1.091 313 S CB 0.777 63.986 63.200 0.016 0.000 0.887 313 S HN 0.122 nan 8.310 nan 0.000 0.491 314 S N 2.692 118.447 115.700 0.091 0.000 2.353 314 S HA -0.184 4.286 4.470 0.001 0.000 0.222 314 S C 1.544 176.225 174.600 0.135 0.000 1.035 314 S CA 1.768 60.040 58.200 0.121 0.000 1.025 314 S CB -0.201 63.062 63.200 0.106 0.000 0.902 314 S HN 0.543 nan 8.310 nan 0.000 0.440 315 D N 0.703 121.167 120.400 0.107 0.000 2.084 315 D HA -0.074 4.566 4.640 0.001 0.000 0.196 315 D C 2.046 178.421 176.300 0.125 0.000 0.985 315 D CA 1.265 55.331 54.000 0.109 0.000 0.826 315 D CB -0.727 40.123 40.800 0.083 0.000 0.978 315 D HN 0.415 nan 8.370 nan 0.000 0.456 316 E N 0.733 120.994 120.200 0.103 0.000 2.086 316 E HA -0.183 4.167 4.350 0.001 0.000 0.200 316 E C 1.998 178.693 176.600 0.157 0.000 1.012 316 E CA 0.452 56.915 56.400 0.105 0.000 0.812 316 E CB -0.461 29.271 29.700 0.053 0.000 0.743 316 E HN 0.147 nan 8.360 nan 0.000 0.453 317 L N 0.344 121.659 121.223 0.153 0.000 2.017 317 L HA -0.050 4.290 4.340 0.001 0.000 0.208 317 L C 2.116 179.146 176.870 0.267 0.000 1.073 317 L CA 2.457 57.417 54.840 0.200 0.000 0.745 317 L CB -1.142 41.024 42.059 0.179 0.000 0.894 317 L HN 0.188 nan 8.230 nan 0.000 0.432 318 G N -0.762 108.203 108.800 0.275 0.000 2.514 318 G HA2 -0.407 3.553 3.960 0.001 0.000 0.217 318 G HA3 -0.407 3.553 3.960 0.001 0.000 0.217 318 G C 1.725 176.774 174.900 0.247 0.000 1.198 318 G CA 1.058 46.350 45.100 0.320 0.000 0.780 318 G HN 0.412 nan 8.290 nan 0.000 0.565 319 R N 0.205 120.827 120.500 0.203 0.000 2.096 319 R HA -0.124 4.216 4.340 0.001 0.000 0.240 319 R C 2.211 178.618 176.300 0.179 0.000 1.139 319 R CA 1.790 57.990 56.100 0.166 0.000 0.952 319 R CB -1.226 29.163 30.300 0.148 0.000 0.854 319 R HN 0.344 nan 8.270 nan 0.000 0.436 320 F N 0.003 120.006 119.950 0.088 0.000 2.161 320 F HA -0.171 4.356 4.527 0.001 0.000 0.300 320 F C 1.795 177.640 175.800 0.076 0.000 1.089 320 F CA 1.651 59.704 58.000 0.088 0.000 1.282 320 F CB -0.164 38.902 39.000 0.109 0.000 1.010 320 F HN -0.077 nan 8.300 nan 0.000 0.485 321 V N 1.151 121.135 119.914 0.118 0.000 2.379 321 V HA -0.263 3.857 4.120 0.001 0.000 0.245 321 V C 2.221 178.313 176.094 -0.003 0.000 1.044 321 V CA 2.035 64.335 62.300 0.001 0.000 1.036 321 V CB -0.996 30.804 31.823 -0.037 0.000 0.664 321 V HN 0.524 nan 8.190 nan 0.000 0.453 322 E N 0.363 120.593 120.200 0.050 0.000 2.427 322 E HA -0.074 4.276 4.350 0.001 0.000 0.196 322 E C 1.861 178.461 176.600 0.001 0.000 1.028 322 E CA 0.797 57.224 56.400 0.046 0.000 0.864 322 E CB -0.187 29.556 29.700 0.073 0.000 0.813 322 E HN 0.551 nan 8.360 nan 0.000 0.514 323 L N 0.986 122.177 121.223 -0.053 0.000 2.529 323 L HA 0.111 4.451 4.340 0.001 0.000 0.223 323 L C 1.826 178.625 176.870 -0.119 0.000 1.113 323 L CA 1.152 55.945 54.840 -0.079 0.000 0.861 323 L CB 0.283 42.289 42.059 -0.088 0.000 1.012 323 L HN 0.338 nan 8.230 nan 0.000 0.461 324 T N -6.173 108.291 114.554 -0.150 0.000 2.993 324 T HA 0.184 4.534 4.350 0.001 0.000 0.260 324 T C 1.337 176.129 174.700 0.154 0.000 0.939 324 T CA 0.456 62.528 62.100 -0.046 0.000 0.886 324 T CB 0.670 69.375 68.868 -0.272 0.000 1.209 324 T HN 0.169 nan 8.240 nan 0.000 0.518 325 G N 2.283 111.125 108.800 0.070 0.000 2.323 325 G HA2 -0.207 3.753 3.960 0.001 0.000 0.292 325 G HA3 -0.207 3.753 3.960 0.001 0.000 0.292 325 G C -0.099 174.904 174.900 0.173 0.000 1.040 325 G CA 0.370 45.551 45.100 0.135 0.000 0.942 325 G HN 0.751 nan 8.290 nan 0.000 0.506 326 I N 1.623 122.213 120.570 0.034 0.000 2.336 326 I HA 0.295 4.465 4.170 0.001 0.000 0.292 326 I C -1.445 174.645 176.117 -0.045 0.000 0.991 326 I CA -2.595 58.672 61.300 -0.054 0.000 1.227 326 I CB 1.651 39.565 38.000 -0.144 0.000 1.366 326 I HN -0.031 nan 8.210 nan 0.000 0.466 327 P HA -0.023 nan 4.420 nan 0.000 0.264 327 P C -0.624 176.635 177.300 -0.068 0.000 1.183 327 P CA 0.069 63.145 63.100 -0.040 0.000 0.763 327 P CB 0.888 32.556 31.700 -0.054 0.000 0.807 328 V N 3.172 123.032 119.914 -0.091 0.000 2.294 328 V HA 0.451 4.571 4.120 0.001 0.000 0.272 328 V C 0.717 176.811 176.094 0.001 0.000 1.027 328 V CA -0.693 61.546 62.300 -0.103 0.000 0.823 328 V CB 0.622 32.263 31.823 -0.303 0.000 1.030 328 V HN 0.718 nan 8.190 nan 0.000 0.457 329 A N 3.859 126.686 122.820 0.011 0.000 2.301 329 A HA 0.826 5.146 4.320 0.001 0.000 0.312 329 A C 0.157 177.794 177.584 0.089 0.000 1.182 329 A CA -0.272 51.789 52.037 0.039 0.000 0.826 329 A CB 1.367 20.369 19.000 0.003 0.000 1.134 329 A HN 0.778 nan 8.150 nan 0.000 0.501 330 S N 0.747 116.506 115.700 0.099 0.000 2.600 330 S HA 0.765 5.236 4.470 0.001 0.000 0.300 330 S C 0.305 174.967 174.600 0.103 0.000 1.087 330 S CA 0.136 58.402 58.200 0.111 0.000 0.965 330 S CB 1.276 64.537 63.200 0.103 0.000 1.089 330 S HN 1.361 nan 8.310 nan 0.000 0.496 331 T N 1.117 115.735 114.554 0.108 0.000 2.824 331 T HA 0.364 4.714 4.350 0.001 0.000 0.277 331 T C 1.427 176.164 174.700 0.062 0.000 0.975 331 T CA -0.595 61.563 62.100 0.097 0.000 0.966 331 T CB 0.418 69.346 68.868 0.101 0.000 1.054 331 T HN 0.636 nan 8.240 nan 0.000 0.533 332 L N -0.077 121.192 121.223 0.077 0.000 2.131 332 L HA -0.040 4.300 4.340 0.001 0.000 0.210 332 L C 2.190 179.209 176.870 0.248 0.000 1.092 332 L CA 1.239 56.154 54.840 0.124 0.000 0.759 332 L CB -0.315 41.843 42.059 0.166 0.000 0.903 332 L HN 0.591 nan 8.230 nan 0.000 0.435 333 M N -1.310 118.386 119.600 0.160 0.000 2.506 333 M HA 0.092 4.573 4.480 0.001 0.000 0.260 333 M C 1.965 178.343 176.300 0.130 0.000 1.104 333 M CA 1.009 56.400 55.300 0.151 0.000 1.112 333 M CB -1.223 31.415 32.600 0.063 0.000 1.401 333 M HN 0.304 nan 8.290 nan 0.000 0.473 334 G N -0.049 108.804 108.800 0.089 0.000 3.042 334 G HA2 0.231 4.191 3.960 0.001 0.000 0.212 334 G HA3 0.231 4.191 3.960 0.001 0.000 0.212 334 G C 0.687 175.624 174.900 0.062 0.000 1.166 334 G CA -0.360 44.785 45.100 0.074 0.000 0.767 334 G HN 0.273 nan 8.290 nan 0.000 0.546 335 L N 0.583 121.801 121.223 -0.008 0.000 2.615 335 L HA 0.228 4.568 4.340 0.001 0.000 0.284 335 L C 1.709 178.557 176.870 -0.035 0.000 1.237 335 L CA 1.311 56.072 54.840 -0.131 0.000 0.905 335 L CB 0.364 42.050 42.059 -0.622 0.000 1.149 335 L HN 0.376 nan 8.230 nan 0.000 0.499 336 G N 1.511 110.357 108.800 0.077 0.000 2.317 336 G HA2 -0.334 3.626 3.960 0.001 0.000 0.227 336 G HA3 -0.334 3.626 3.960 0.001 0.000 0.227 336 G C 1.091 176.079 174.900 0.146 0.000 1.042 336 G CA 0.380 45.570 45.100 0.150 0.000 0.623 336 G HN 0.584 nan 8.290 nan 0.000 0.509 337 S N -0.753 115.033 115.700 0.144 0.000 2.374 337 S HA -0.014 4.457 4.470 0.001 0.000 0.227 337 S C 0.717 175.459 174.600 0.236 0.000 1.037 337 S CA 1.716 60.015 58.200 0.164 0.000 1.024 337 S CB -0.076 63.213 63.200 0.149 0.000 0.861 337 S HN 0.843 nan 8.310 nan 0.000 0.456 338 Y N 2.816 123.172 120.300 0.093 0.000 2.361 338 Y HA 0.409 4.959 4.550 0.001 0.000 0.337 338 Y C -2.410 173.552 175.900 0.103 0.000 0.965 338 Y CA -3.157 55.000 58.100 0.094 0.000 1.091 338 Y CB 1.019 39.531 38.460 0.088 0.000 1.182 338 Y HN -0.022 nan 8.280 nan 0.000 0.450 342 D N 1.411 121.796 120.400 -0.024 0.000 2.481 342 D HA 0.094 4.735 4.640 0.001 0.000 0.244 342 D C 1.226 177.534 176.300 0.013 0.000 1.057 342 D CA -0.283 53.697 54.000 -0.034 0.000 0.848 342 D CB 2.373 43.092 40.800 -0.136 0.000 1.388 342 D HN 0.160 nan 8.370 nan 0.000 0.475 343 E N 2.451 122.663 120.200 0.020 0.000 2.265 343 E HA -0.129 4.221 4.350 0.001 0.000 0.196 343 E C 1.408 178.015 176.600 0.011 0.000 0.996 343 E CA 0.729 57.131 56.400 0.003 0.000 0.832 343 E CB 0.035 29.736 29.700 0.001 0.000 0.756 343 E HN 0.432 nan 8.360 nan 0.000 0.491 344 L N 1.005 122.281 121.223 0.088 0.000 2.558 344 L HA 0.096 4.436 4.340 0.001 0.000 0.225 344 L C 1.076 178.007 176.870 0.101 0.000 1.128 344 L CA -0.191 54.708 54.840 0.098 0.000 0.868 344 L CB 0.425 42.578 42.059 0.156 0.000 1.006 344 L HN 0.015 nan 8.230 nan 0.000 0.454 345 S N 0.292 116.064 115.700 0.120 0.000 2.430 345 S HA 0.182 4.652 4.470 0.001 0.000 0.282 345 S C 1.015 175.472 174.600 -0.238 0.000 1.186 345 S CA -0.437 57.784 58.200 0.035 0.000 1.060 345 S CB 0.402 63.615 63.200 0.022 0.000 0.966 345 S HN 0.231 nan 8.310 nan 0.000 0.501 346 L N 4.763 125.935 121.223 -0.086 0.000 2.599 346 L HA 0.222 4.562 4.340 0.001 0.000 0.230 346 L C 0.780 177.670 176.870 0.033 0.000 1.141 346 L CA 0.053 54.919 54.840 0.043 0.000 0.877 346 L CB -0.922 41.177 42.059 0.066 0.000 1.009 346 L HN 0.884 nan 8.230 nan 0.000 0.447 347 H N -2.478 116.682 119.070 0.149 0.000 1.452 347 H HA -0.268 4.289 4.556 0.001 0.000 0.090 347 H C 0.210 175.539 175.328 0.002 0.000 1.290 347 H CA 0.554 56.643 56.048 0.069 0.000 1.901 347 H CB -0.702 29.089 29.762 0.048 0.000 2.257 347 H HN 0.132 nan 8.280 nan 0.000 0.961 348 M N 1.764 121.438 119.600 0.123 0.000 2.233 348 M HA 0.375 4.855 4.480 0.001 0.000 0.350 348 M C -0.735 175.558 176.300 -0.011 0.000 1.176 348 M CA -0.784 54.536 55.300 0.034 0.000 1.150 348 M CB 0.398 32.998 32.600 0.000 0.000 1.530 348 M HN 0.388 nan 8.290 nan 0.000 0.459 349 L N 3.149 124.366 121.223 -0.011 0.000 2.299 349 L HA 1.137 5.477 4.340 0.001 0.000 0.268 349 L C 0.064 176.920 176.870 -0.023 0.000 1.012 349 L CA -0.296 54.518 54.840 -0.043 0.000 0.816 349 L CB 0.306 42.315 42.059 -0.084 0.000 1.355 349 L HN 0.881 nan 8.230 nan 0.000 0.457 350 G N -1.064 107.718 108.800 -0.030 0.000 2.373 350 G HA2 -0.110 3.850 3.960 0.001 0.000 0.634 350 G HA3 -0.110 3.850 3.960 0.001 0.000 0.634 350 G C 0.233 175.124 174.900 -0.016 0.000 1.267 350 G CA -0.038 45.046 45.100 -0.027 0.000 1.008 350 G HN 1.145 nan 8.290 nan 0.000 0.497 351 M N -0.700 118.871 119.600 -0.047 0.000 2.143 351 M HA -0.116 4.364 4.480 0.001 0.000 0.258 351 M C 1.323 177.460 176.300 -0.271 0.000 1.071 351 M CA 2.355 57.566 55.300 -0.149 0.000 1.088 351 M CB -0.209 32.286 32.600 -0.176 0.000 1.360 351 M HN 0.566 nan 8.290 nan 0.000 0.404 352 H N -0.427 118.679 119.070 0.059 0.000 2.475 352 H HA 0.363 4.919 4.556 0.001 0.000 0.276 352 H C 0.425 175.773 175.328 0.034 0.000 1.126 352 H CA 0.257 56.341 56.048 0.060 0.000 1.023 352 H CB -0.351 29.442 29.762 0.052 0.000 1.669 352 H HN 0.414 nan 8.280 nan 0.000 0.573 353 G N 0.991 109.842 108.800 0.085 0.000 2.599 353 G HA2 0.194 4.155 3.960 0.001 0.000 0.264 353 G HA3 0.194 4.155 3.960 0.001 0.000 0.264 353 G C 0.459 175.348 174.900 -0.019 0.000 1.200 353 G CA -0.267 44.844 45.100 0.019 0.000 0.896 353 G HN 0.243 nan 8.290 nan 0.000 0.536 354 T N -1.966 112.496 114.554 -0.153 0.000 2.855 354 T HA 0.066 4.417 4.350 0.001 0.000 0.314 354 T C 1.531 176.101 174.700 -0.215 0.000 1.077 354 T CA -0.140 61.771 62.100 -0.315 0.000 1.095 354 T CB 1.191 69.456 68.868 -1.005 0.000 0.987 354 T HN 0.224 nan 8.240 nan 0.000 0.546 355 V N 2.685 122.568 119.914 -0.052 0.000 2.427 355 V HA -0.128 3.992 4.120 0.001 0.000 0.248 355 V C 2.175 178.372 176.094 0.172 0.000 1.051 355 V CA 2.000 64.393 62.300 0.154 0.000 1.048 355 V CB -1.400 30.504 31.823 0.135 0.000 0.666 355 V HN 1.041 nan 8.190 nan 0.000 0.456 356 Y N 0.483 120.865 120.300 0.137 0.000 2.314 356 Y HA 0.222 4.772 4.550 0.001 0.000 0.293 356 Y C 2.395 178.323 175.900 0.047 0.000 1.129 356 Y CA 0.857 59.004 58.100 0.078 0.000 1.201 356 Y CB -1.130 37.352 38.460 0.038 0.000 0.999 356 Y HN 0.058 nan 8.280 nan 0.000 0.541 357 A N 1.605 124.306 122.820 -0.199 0.000 1.873 357 A HA -0.186 4.134 4.320 0.001 0.000 0.215 357 A C 1.999 179.502 177.584 -0.136 0.000 1.186 357 A CA 1.803 53.770 52.037 -0.116 0.000 0.616 357 A CB -0.776 18.126 19.000 -0.164 0.000 0.823 357 A HN 0.521 nan 8.150 nan 0.000 0.442 358 N N -1.363 117.234 118.700 -0.172 0.000 2.188 358 N HA -0.161 4.579 4.740 0.001 0.000 0.184 358 N C 1.573 176.658 175.510 -0.709 0.000 1.018 358 N CA 1.617 54.471 53.050 -0.327 0.000 0.858 358 N CB -0.646 37.747 38.487 -0.156 0.000 0.989 358 N HN 0.668 nan 8.380 nan 0.000 0.426 359 Y N 1.866 121.678 120.300 -0.812 0.000 2.097 359 Y HA -0.203 4.348 4.550 0.001 0.000 0.282 359 Y C 2.366 178.109 175.900 -0.261 0.000 1.152 359 Y CA 2.013 59.680 58.100 -0.723 0.000 1.136 359 Y CB -0.640 37.735 38.460 -0.142 0.000 0.975 359 Y HN 0.079 nan 8.280 nan 0.000 0.498 360 A N -0.503 122.294 122.820 -0.039 0.000 1.927 360 A HA -0.236 4.084 4.320 0.001 0.000 0.220 360 A C 2.286 179.875 177.584 0.009 0.000 1.185 360 A CA 2.514 54.569 52.037 0.030 0.000 0.639 360 A CB -1.406 17.594 19.000 0.000 0.000 0.820 360 A HN 0.393 nan 8.150 nan 0.000 0.451 361 V N -0.466 119.320 119.914 -0.213 0.000 2.488 361 V HA -0.149 3.971 4.120 0.001 0.000 0.246 361 V C 2.466 178.279 176.094 -0.467 0.000 1.046 361 V CA 2.061 64.160 62.300 -0.334 0.000 1.053 361 V CB -0.596 30.978 31.823 -0.415 0.000 0.679 361 V HN 0.697 nan 8.190 nan 0.000 0.458 362 E N 0.133 119.985 120.200 -0.580 0.000 2.153 362 E HA -0.202 4.148 4.350 0.001 0.000 0.194 362 E C 1.824 177.967 176.600 -0.761 0.000 0.988 362 E CA 1.387 57.368 56.400 -0.699 0.000 0.811 362 E CB -0.115 29.042 29.700 -0.905 0.000 0.746 362 E HN 0.705 nan 8.360 nan 0.000 0.466 363 H N -0.583 118.271 119.070 -0.360 0.000 2.592 363 H HA 0.261 4.817 4.556 0.001 0.000 0.279 363 H C 0.189 175.350 175.328 -0.277 0.000 1.089 363 H CA 0.513 56.398 56.048 -0.270 0.000 1.150 363 H CB 0.070 29.652 29.762 -0.301 0.000 1.575 363 H HN 0.102 nan 8.280 nan 0.000 0.547 364 S N 1.079 116.649 115.700 -0.217 0.000 2.614 364 S HA 0.074 4.545 4.470 0.001 0.000 0.265 364 S C 0.864 175.252 174.600 -0.354 0.000 1.303 364 S CA -0.219 57.774 58.200 -0.344 0.000 1.000 364 S CB 1.449 64.514 63.200 -0.225 0.000 0.935 364 S HN 0.351 nan 8.310 nan 0.000 0.551 365 D N -1.254 118.910 120.400 -0.394 0.000 2.500 365 D HA 0.264 4.904 4.640 0.001 0.000 0.217 365 D C -0.275 175.868 176.300 -0.263 0.000 1.159 365 D CA -0.257 53.562 54.000 -0.301 0.000 0.828 365 D CB -0.055 40.571 40.800 -0.291 0.000 1.039 365 D HN 0.349 nan 8.370 nan 0.000 0.512 366 L N 0.898 121.961 121.223 -0.266 0.000 2.568 366 L HA 0.424 4.765 4.340 0.001 0.000 0.262 366 L C -2.024 174.743 176.870 -0.171 0.000 0.980 366 L CA -0.924 53.796 54.840 -0.200 0.000 0.882 366 L CB 1.751 43.700 42.059 -0.182 0.000 1.198 366 L HN 0.016 nan 8.230 nan 0.000 0.425 367 L N 5.637 126.785 121.223 -0.125 0.000 2.255 367 L HA 0.490 4.830 4.340 0.001 0.000 0.289 367 L C -0.877 175.965 176.870 -0.045 0.000 1.046 367 L CA 0.060 54.850 54.840 -0.083 0.000 0.816 367 L CB 0.810 42.841 42.059 -0.047 0.000 1.197 367 L HN 0.557 nan 8.230 nan 0.000 0.427 368 L N 6.455 127.577 121.223 -0.169 0.000 2.358 368 L HA 0.421 4.762 4.340 0.001 0.000 0.274 368 L C 0.537 177.066 176.870 -0.568 0.000 1.136 368 L CA -0.428 54.161 54.840 -0.420 0.000 0.970 368 L CB 0.482 42.125 42.059 -0.693 0.000 1.314 368 L HN 0.769 nan 8.230 nan 0.000 0.427 369 A N 4.019 126.751 122.820 -0.148 0.000 2.671 369 A HA 0.496 4.816 4.320 0.001 0.000 0.306 369 A C -0.563 177.090 177.584 0.116 0.000 1.473 369 A CA -0.180 51.765 52.037 -0.154 0.000 1.155 369 A CB -0.492 18.489 19.000 -0.033 0.000 1.123 369 A HN 0.398 nan 8.150 nan 0.000 0.545 370 F N 1.290 121.146 119.950 -0.156 0.000 2.388 370 F HA 0.537 5.065 4.527 0.001 0.000 0.358 370 F C 1.244 176.962 175.800 -0.137 0.000 1.122 370 F CA -0.720 57.217 58.000 -0.105 0.000 1.056 370 F CB 0.947 39.870 39.000 -0.128 0.000 1.155 370 F HN 0.814 nan 8.300 nan 0.000 0.461 371 G N 2.112 110.984 108.800 0.119 0.000 2.256 371 G HA2 -0.021 3.940 3.960 0.001 0.000 0.272 371 G HA3 -0.021 3.940 3.960 0.001 0.000 0.272 371 G C -0.486 174.383 174.900 -0.051 0.000 1.076 371 G CA 0.151 45.271 45.100 0.033 0.000 0.882 371 G HN 0.974 nan 8.290 nan 0.000 0.497 372 V N -3.655 116.196 119.914 -0.104 0.000 3.126 372 V HA 0.971 5.092 4.120 0.001 0.000 0.314 372 V C 0.518 176.609 176.094 -0.006 0.000 1.138 372 V CA -0.725 61.417 62.300 -0.264 0.000 1.034 372 V CB 1.921 33.151 31.823 -0.989 0.000 1.075 372 V HN 0.750 nan 8.190 nan 0.000 0.442 373 R N 0.089 120.602 120.500 0.023 0.000 2.690 373 R HA 0.456 4.796 4.340 0.001 0.000 0.419 373 R C -0.859 175.603 176.300 0.270 0.000 1.090 373 R CA -0.488 55.730 56.100 0.197 0.000 1.064 373 R CB -0.396 29.975 30.300 0.119 0.000 1.391 373 R HN 0.554 nan 8.270 nan 0.000 0.586 374 F N 1.643 121.589 119.950 -0.006 0.000 2.642 374 F HA -0.282 4.246 4.527 0.001 0.000 0.200 374 F C 0.452 176.201 175.800 -0.086 0.000 1.041 374 F CA 1.100 59.081 58.000 -0.032 0.000 0.851 374 F CB -1.544 37.415 39.000 -0.067 0.000 0.727 374 F HN 0.440 nan 8.300 nan 0.000 0.848 375 D N 1.368 121.786 120.400 0.029 0.000 2.357 375 D HA 0.035 4.676 4.640 0.001 0.000 0.242 375 D C 1.436 177.696 176.300 -0.065 0.000 1.153 375 D CA 0.333 54.330 54.000 -0.006 0.000 0.918 375 D CB 0.656 41.451 40.800 -0.007 0.000 1.181 375 D HN 0.422 nan 8.370 nan 0.000 0.435 376 D N 1.675 122.047 120.400 -0.046 0.000 2.224 376 D HA -0.161 4.480 4.640 0.001 0.000 0.205 376 D C 0.903 177.164 176.300 -0.064 0.000 0.965 376 D CA 0.338 54.302 54.000 -0.059 0.000 0.852 376 D CB 0.040 40.823 40.800 -0.029 0.000 0.947 376 D HN 0.222 nan 8.370 nan 0.000 0.494 377 R N 0.629 121.101 120.500 -0.046 0.000 2.339 377 R HA 0.104 4.444 4.340 0.001 0.000 0.199 377 R C 1.624 177.886 176.300 -0.063 0.000 1.018 377 R CA 0.032 56.113 56.100 -0.031 0.000 1.036 377 R CB -0.510 29.788 30.300 -0.003 0.000 0.899 377 R HN 0.294 nan 8.270 nan 0.000 0.473 378 V N -0.798 119.039 119.914 -0.129 0.000 3.250 378 V HA -0.037 4.083 4.120 0.001 0.000 0.240 378 V C 2.004 177.867 176.094 -0.385 0.000 1.275 378 V CA 1.438 63.609 62.300 -0.216 0.000 1.206 378 V CB 0.598 32.278 31.823 -0.238 0.000 0.976 378 V HN 0.340 nan 8.190 nan 0.000 0.467 379 T N -2.499 111.773 114.554 -0.469 0.000 3.010 379 T HA 0.358 4.709 4.350 0.001 0.000 0.252 379 T C 1.617 176.228 174.700 -0.148 0.000 1.047 379 T CA 1.417 63.157 62.100 -0.601 0.000 1.140 379 T CB 0.491 69.016 68.868 -0.571 0.000 0.885 379 T HN 0.945 nan 8.240 nan 0.000 0.464 380 G N 2.358 111.101 108.800 -0.094 0.000 2.574 380 G HA2 -0.365 3.596 3.960 0.001 0.000 0.301 380 G HA3 -0.365 3.596 3.960 0.001 0.000 0.301 380 G C -0.037 174.862 174.900 -0.001 0.000 1.166 380 G CA 0.337 45.425 45.100 -0.020 0.000 0.971 380 G HN 0.867 nan 8.290 nan 0.000 0.542 381 K N 1.481 121.901 120.400 0.033 0.000 2.273 381 K HA 0.567 4.887 4.320 0.001 0.000 0.287 381 K C 1.826 178.470 176.600 0.074 0.000 1.089 381 K CA -0.265 56.047 56.287 0.041 0.000 0.909 381 K CB 0.260 32.785 32.500 0.041 0.000 1.123 381 K HN 0.414 nan 8.250 nan 0.000 0.473 382 L N 3.176 124.434 121.223 0.058 0.000 2.021 382 L HA -0.285 4.055 4.340 0.001 0.000 0.215 382 L C 1.523 178.470 176.870 0.129 0.000 1.074 382 L CA 1.519 56.417 54.840 0.096 0.000 0.760 382 L CB -0.248 41.843 42.059 0.053 0.000 0.889 382 L HN 0.698 nan 8.230 nan 0.000 0.433 383 E N -0.084 120.162 120.200 0.078 0.000 2.209 383 E HA -0.181 4.170 4.350 0.001 0.000 0.196 383 E C 1.947 178.585 176.600 0.064 0.000 0.993 383 E CA 1.222 57.659 56.400 0.062 0.000 0.819 383 E CB -0.282 29.440 29.700 0.036 0.000 0.745 383 E HN 0.511 nan 8.360 nan 0.000 0.477 384 A N -0.050 122.818 122.820 0.080 0.000 2.195 384 A HA 0.131 4.451 4.320 0.001 0.000 0.210 384 A C 0.426 178.050 177.584 0.067 0.000 1.165 384 A CA -0.441 51.630 52.037 0.057 0.000 0.806 384 A CB -0.186 18.847 19.000 0.055 0.000 0.847 384 A HN 0.239 nan 8.150 nan 0.000 0.482 385 F N 1.196 121.130 119.950 -0.026 0.000 2.472 385 F HA 0.414 4.942 4.527 0.001 0.000 0.364 385 F C 1.130 176.903 175.800 -0.045 0.000 1.090 385 F CA -0.284 57.688 58.000 -0.047 0.000 1.188 385 F CB 0.441 39.433 39.000 -0.013 0.000 1.105 385 F HN 0.437 nan 8.300 nan 0.000 0.536 386 A N 3.481 125.796 122.820 -0.841 0.000 2.771 386 A HA -0.309 4.011 4.320 0.001 0.000 0.294 386 A C 1.668 179.076 177.584 -0.294 0.000 1.500 386 A CA 1.157 52.793 52.037 -0.668 0.000 0.829 386 A CB -2.476 16.021 19.000 -0.840 0.000 0.998 386 A HN 1.407 nan 8.150 nan 0.000 0.526 387 S N -2.139 113.441 115.700 -0.200 0.000 2.595 387 S HA 0.192 4.662 4.470 0.001 0.000 0.235 387 S C 1.394 175.932 174.600 -0.104 0.000 0.974 387 S CA 1.350 59.493 58.200 -0.095 0.000 0.942 387 S CB -0.402 62.763 63.200 -0.058 0.000 0.766 387 S HN 1.869 nan 8.310 nan 0.000 0.536 388 R N -0.008 120.394 120.500 -0.163 0.000 2.509 388 R HA 0.821 5.161 4.340 0.001 0.000 0.300 388 R C 0.416 176.611 176.300 -0.174 0.000 0.985 388 R CA 0.339 56.351 56.100 -0.147 0.000 1.092 388 R CB -0.524 29.683 30.300 -0.155 0.000 1.237 388 R HN 0.756 nan 8.270 nan 0.000 0.546 389 A N 0.049 122.752 122.820 -0.195 0.000 2.594 389 A HA 0.673 4.994 4.320 0.001 0.000 0.291 389 A C -1.227 176.161 177.584 -0.328 0.000 1.105 389 A CA -0.882 51.012 52.037 -0.240 0.000 0.694 389 A CB 1.035 nan 19.000 nan 0.000 1.291 389 A HN 0.302 nan 8.150 nan 0.000 0.410 390 K N 0.778 120.934 120.400 -0.407 0.000 2.379 390 K HA 0.401 4.721 4.320 0.001 0.000 0.284 390 K C -0.984 175.454 176.600 -0.271 0.000 1.044 390 K CA 0.630 56.540 56.287 -0.629 0.000 0.974 390 K CB 0.441 32.728 32.500 -0.355 0.000 0.962 390 K HN 0.478 nan 8.250 nan 0.000 0.474 391 I N 3.509 124.036 120.570 -0.072 0.000 2.339 391 I HA 0.153 4.323 4.170 0.001 0.000 0.290 391 I C -0.511 175.748 176.117 0.238 0.000 0.994 391 I CA -1.038 60.366 61.300 0.174 0.000 1.191 391 I CB 1.515 39.694 38.000 0.298 0.000 1.343 391 I HN 0.213 nan 8.210 nan 0.000 0.458 392 V N 6.268 126.312 119.914 0.217 0.000 2.370 392 V HA 0.271 4.392 4.120 0.001 0.000 0.283 392 V C -0.270 176.056 176.094 0.386 0.000 1.023 392 V CA -0.497 61.966 62.300 0.271 0.000 0.857 392 V CB 1.175 33.156 31.823 0.263 0.000 0.985 392 V HN 0.668 nan 8.190 nan 0.000 0.443 393 H N 5.609 124.824 119.070 0.241 0.000 2.708 393 H HA 0.571 5.128 4.556 0.001 0.000 0.320 393 H C -1.092 174.334 175.328 0.163 0.000 0.991 393 H CA -0.896 55.307 56.048 0.258 0.000 1.243 393 H CB 1.242 31.138 29.762 0.223 0.000 1.446 393 H HN 0.571 nan 8.280 nan 0.000 0.502 394 I N 5.571 126.324 120.570 0.306 0.000 2.328 394 I HA 0.174 4.344 4.170 0.001 0.000 0.287 394 I C -0.476 175.614 176.117 -0.044 0.000 1.012 394 I CA -0.156 61.140 61.300 -0.007 0.000 1.195 394 I CB 1.179 39.062 38.000 -0.196 0.000 1.350 394 I HN 0.584 nan 8.210 nan 0.000 0.464 395 D N 4.885 125.169 120.400 -0.192 0.000 2.732 395 D HA 0.228 4.868 4.640 0.001 0.000 0.229 395 D C 0.227 176.446 176.300 -0.136 0.000 1.152 395 D CA -0.522 53.389 54.000 -0.147 0.000 0.854 395 D CB 2.964 43.629 40.800 -0.224 0.000 1.590 395 D HN 0.349 nan 8.370 nan 0.000 0.468 396 I N 1.454 121.970 120.570 -0.089 0.000 3.111 396 I HA 0.003 4.174 4.170 0.001 0.000 0.272 396 I C 0.178 176.243 176.117 -0.087 0.000 1.268 396 I CA 0.732 61.980 61.300 -0.087 0.000 1.467 396 I CB 0.025 37.988 38.000 -0.063 0.000 1.087 396 I HN 0.221 nan 8.210 nan 0.000 0.467 397 D N -0.872 119.482 120.400 -0.077 0.000 2.414 397 D HA 0.134 4.774 4.640 0.001 0.000 0.232 397 D C 1.287 177.536 176.300 -0.084 0.000 1.070 397 D CA 0.325 54.286 54.000 -0.065 0.000 0.839 397 D CB 1.441 42.224 40.800 -0.029 0.000 1.079 397 D HN 0.226 nan 8.370 nan 0.000 0.521 398 S N 2.847 118.494 115.700 -0.089 0.000 2.400 398 S HA -0.197 4.274 4.470 0.001 0.000 0.232 398 S C 1.927 176.485 174.600 -0.069 0.000 1.025 398 S CA 0.919 59.064 58.200 -0.092 0.000 0.993 398 S CB -0.209 62.941 63.200 -0.083 0.000 0.808 398 S HN 0.452 nan 8.310 nan 0.000 0.478 399 A N 1.072 123.864 122.820 -0.047 0.000 2.216 399 A HA 0.025 4.345 4.320 0.001 0.000 0.214 399 A C 2.102 179.677 177.584 -0.014 0.000 1.160 399 A CA 0.996 53.017 52.037 -0.027 0.000 0.725 399 A CB -0.291 18.700 19.000 -0.016 0.000 0.784 399 A HN 0.461 nan 8.150 nan 0.000 0.472 400 E N -0.431 119.760 120.200 -0.015 0.000 2.307 400 E HA 0.136 4.486 4.350 0.001 0.000 0.195 400 E C 0.198 176.827 176.600 0.049 0.000 0.975 400 E CA 0.110 56.534 56.400 0.039 0.000 0.878 400 E CB 0.003 29.747 29.700 0.075 0.000 0.845 400 E HN 0.658 nan 8.360 nan 0.000 0.488 401 I N 1.299 121.822 120.570 -0.079 0.000 2.406 401 I HA 0.109 4.280 4.170 0.001 0.000 0.293 401 I C 1.124 177.219 176.117 -0.036 0.000 1.101 401 I CA 0.497 61.730 61.300 -0.111 0.000 1.334 401 I CB 0.150 38.023 38.000 -0.211 0.000 1.421 401 I HN 0.157 nan 8.210 nan 0.000 0.513 402 G N 4.871 113.662 108.800 -0.015 0.000 2.159 402 G HA2 -0.287 3.673 3.960 0.001 0.000 0.227 402 G HA3 -0.287 3.673 3.960 0.001 0.000 0.227 402 G C 1.025 175.889 174.900 -0.061 0.000 0.986 402 G CA 0.265 45.329 45.100 -0.060 0.000 0.651 402 G HN 0.670 nan 8.290 nan 0.000 0.523 403 K N -0.160 120.216 120.400 -0.041 0.000 2.097 403 K HA -0.033 4.287 4.320 0.001 0.000 0.205 403 K C 2.003 178.579 176.600 -0.041 0.000 1.050 403 K CA 1.719 57.991 56.287 -0.025 0.000 0.938 403 K CB -0.115 32.390 32.500 0.009 0.000 0.718 403 K HN 0.426 nan 8.250 nan 0.000 0.442 404 N N -0.954 117.696 118.700 -0.084 0.000 2.486 404 N HA 0.031 4.771 4.740 0.001 0.000 0.242 404 N C -0.409 175.029 175.510 -0.121 0.000 1.083 404 N CA 0.104 53.109 53.050 -0.074 0.000 0.844 404 N CB 0.675 39.149 38.487 -0.021 0.000 1.527 404 N HN -0.117 nan 8.380 nan 0.000 0.462 405 K N 1.585 121.808 120.400 -0.294 0.000 2.292 405 K HA 0.400 4.721 4.320 0.001 0.000 0.257 405 K C -0.850 175.603 176.600 -0.245 0.000 0.940 405 K CA -0.195 55.929 56.287 -0.272 0.000 0.811 405 K CB 1.860 34.097 32.500 -0.438 0.000 1.120 405 K HN -0.121 nan 8.250 nan 0.000 0.428 406 T N 5.515 119.992 114.554 -0.127 0.000 2.729 406 T HA 0.283 4.634 4.350 0.001 0.000 0.296 406 T C -2.189 172.454 174.700 -0.096 0.000 0.928 406 T CA -1.151 60.879 62.100 -0.116 0.000 1.045 406 T CB 0.825 69.618 68.868 -0.124 0.000 0.902 406 T HN 0.228 nan 8.240 nan 0.000 0.500 407 P HA 0.288 nan 4.420 nan 0.000 0.274 407 P C 0.134 177.446 177.300 0.020 0.000 1.256 407 P CA -0.416 62.739 63.100 0.091 0.000 0.795 407 P CB 0.627 32.411 31.700 0.141 0.000 1.038 408 H N -1.823 117.280 119.070 0.055 0.000 2.740 408 H HA 0.390 4.946 4.556 0.001 0.000 0.265 408 H C -0.323 175.041 175.328 0.059 0.000 0.978 408 H CA 0.245 56.319 56.048 0.042 0.000 1.198 408 H CB 0.495 30.277 29.762 0.033 0.000 1.467 408 H HN -0.055 nan 8.280 nan 0.000 0.511 409 V N 1.150 121.187 119.914 0.204 0.000 2.737 409 V HA 0.329 4.449 4.120 0.001 0.000 0.298 409 V C -0.853 175.340 176.094 0.166 0.000 1.163 409 V CA -0.784 61.619 62.300 0.173 0.000 0.925 409 V CB 1.889 33.817 31.823 0.175 0.000 1.037 409 V HN 0.360 nan 8.190 nan 0.000 0.433 410 S N 3.948 119.722 115.700 0.124 0.000 2.638 410 S HA 0.949 5.419 4.470 0.001 0.000 0.302 410 S C -1.132 173.455 174.600 -0.021 0.000 1.096 410 S CA -0.843 57.391 58.200 0.057 0.000 0.953 410 S CB 2.444 65.643 63.200 -0.001 0.000 1.107 410 S HN 0.657 nan 8.310 nan 0.000 0.503 411 V N 0.939 120.790 119.914 -0.106 0.000 2.610 411 V HA 0.332 4.453 4.120 0.001 0.000 0.288 411 V C -0.659 175.309 176.094 -0.209 0.000 1.055 411 V CA -0.879 61.292 62.300 -0.215 0.000 0.902 411 V CB 1.074 32.792 31.823 -0.175 0.000 1.030 411 V HN 1.191 nan 8.190 nan 0.000 0.448 412 C N 5.254 124.422 119.300 -0.219 0.000 2.349 412 C HA 0.886 5.347 4.460 0.001 0.000 0.348 412 C C 0.858 175.747 174.990 -0.167 0.000 1.223 412 C CA 0.991 59.899 59.018 -0.183 0.000 1.746 412 C CB -1.261 26.384 27.740 -0.159 0.000 2.360 412 C HN 1.297 nan 8.230 nan 0.000 0.533 413 G N 4.584 113.293 108.800 -0.152 0.000 2.315 413 G HA2 0.236 4.197 3.960 0.001 0.000 0.294 413 G HA3 0.236 4.197 3.960 0.001 0.000 0.294 413 G C -1.665 173.161 174.900 -0.123 0.000 1.300 413 G CA -0.530 44.491 45.100 -0.131 0.000 0.843 413 G HN 0.569 nan 8.290 nan 0.000 0.527 414 D N 0.243 120.581 120.400 -0.104 0.000 2.382 414 D HA 0.160 4.800 4.640 0.001 0.000 0.259 414 D C 1.596 177.818 176.300 -0.130 0.000 1.224 414 D CA 0.250 54.193 54.000 -0.094 0.000 0.894 414 D CB 1.569 42.330 40.800 -0.066 0.000 1.127 414 D HN 0.342 nan 8.370 nan 0.000 0.487 415 V N 5.030 124.857 119.914 -0.146 0.000 2.568 415 V HA -0.217 3.903 4.120 0.001 0.000 0.253 415 V C 2.270 178.244 176.094 -0.201 0.000 1.072 415 V CA 2.151 64.314 62.300 -0.228 0.000 1.084 415 V CB -0.281 31.425 31.823 -0.195 0.000 0.676 415 V HN 0.601 nan 8.190 nan 0.000 0.469 416 K N -0.538 119.794 120.400 -0.114 0.000 2.057 416 K HA -0.112 4.208 4.320 0.001 0.000 0.206 416 K C 1.998 178.552 176.600 -0.077 0.000 1.050 416 K CA 1.792 58.035 56.287 -0.074 0.000 0.935 416 K CB -0.182 32.299 32.500 -0.033 0.000 0.715 416 K HN 0.541 nan 8.250 nan 0.000 0.439 417 L N 0.138 121.312 121.223 -0.082 0.000 2.109 417 L HA -0.041 4.300 4.340 0.001 0.000 0.207 417 L C 2.612 179.425 176.870 -0.095 0.000 1.086 417 L CA 0.888 55.688 54.840 -0.067 0.000 0.760 417 L CB -0.555 41.469 42.059 -0.058 0.000 0.910 417 L HN 0.247 nan 8.230 nan 0.000 0.437 418 A N 0.585 123.309 122.820 -0.161 0.000 1.908 418 A HA -0.174 4.146 4.320 0.001 0.000 0.218 418 A C 2.276 179.729 177.584 -0.217 0.000 1.181 418 A CA 1.492 53.401 52.037 -0.214 0.000 0.627 418 A CB -0.692 18.098 19.000 -0.351 0.000 0.818 418 A HN 0.333 nan 8.150 nan 0.000 0.445 419 L N -1.187 119.885 121.223 -0.253 0.000 2.017 419 L HA -0.255 4.085 4.340 0.001 0.000 0.208 419 L C 2.922 179.783 176.870 -0.015 0.000 1.073 419 L CA 1.718 56.444 54.840 -0.190 0.000 0.745 419 L CB -0.636 41.326 42.059 -0.162 0.000 0.894 419 L HN 0.468 nan 8.230 nan 0.000 0.432 420 Q N -0.331 119.460 119.800 -0.016 0.000 2.077 420 Q HA -0.209 4.131 4.340 0.001 0.000 0.206 420 Q C 2.231 178.253 176.000 0.037 0.000 0.989 420 Q CA 1.789 57.606 55.803 0.024 0.000 0.853 420 Q CB -0.429 28.315 28.738 0.009 0.000 0.907 420 Q HN 0.625 nan 8.270 nan 0.000 0.418 421 G N 0.203 109.012 108.800 0.014 0.000 2.404 421 G HA2 -0.232 3.729 3.960 0.001 0.000 0.215 421 G HA3 -0.232 3.729 3.960 0.001 0.000 0.215 421 G C 1.335 176.274 174.900 0.065 0.000 1.174 421 G CA 0.730 45.848 45.100 0.030 0.000 0.780 421 G HN 0.206 nan 8.290 nan 0.000 0.537 422 M N 0.827 120.476 119.600 0.083 0.000 2.213 422 M HA -0.044 4.436 4.480 0.001 0.000 0.263 422 M C 2.225 178.661 176.300 0.226 0.000 1.062 422 M CA 0.834 56.240 55.300 0.177 0.000 1.105 422 M CB -0.366 32.385 32.600 0.251 0.000 1.385 422 M HN 0.137 nan 8.290 nan 0.000 0.417 423 N N 0.805 119.634 118.700 0.216 0.000 2.188 423 N HA -0.097 4.644 4.740 0.001 0.000 0.184 423 N C 1.528 177.103 175.510 0.110 0.000 1.018 423 N CA 1.134 54.296 53.050 0.186 0.000 0.858 423 N CB -0.210 38.381 38.487 0.173 0.000 0.989 423 N HN 0.417 nan 8.380 nan 0.000 0.426 424 K N 0.684 121.137 120.400 0.089 0.000 1.991 424 K HA -0.063 4.258 4.320 0.001 0.000 0.212 424 K C 2.058 178.694 176.600 0.060 0.000 1.049 424 K CA 1.129 57.453 56.287 0.063 0.000 0.932 424 K CB -0.356 32.175 32.500 0.052 0.000 0.717 424 K HN -0.075 nan 8.250 nan 0.000 0.441 425 V N 2.120 122.075 119.914 0.069 0.000 2.324 425 V HA -0.276 3.845 4.120 0.001 0.000 0.250 425 V C 2.276 178.405 176.094 0.058 0.000 1.060 425 V CA 1.743 64.080 62.300 0.063 0.000 1.042 425 V CB -0.546 31.322 31.823 0.076 0.000 0.650 425 V HN 0.298 nan 8.190 nan 0.000 0.450 426 L N -0.509 120.756 121.223 0.069 0.000 2.093 426 L HA -0.156 4.184 4.340 0.001 0.000 0.208 426 L C 2.601 179.487 176.870 0.026 0.000 1.085 426 L CA 1.519 56.384 54.840 0.042 0.000 0.755 426 L CB -0.546 41.529 42.059 0.026 0.000 0.904 426 L HN 0.407 nan 8.230 nan 0.000 0.435 427 E N -0.179 120.042 120.200 0.035 0.000 2.107 427 E HA -0.148 4.203 4.350 0.001 0.000 0.191 427 E C 1.787 178.399 176.600 0.022 0.000 0.982 427 E CA 0.864 57.280 56.400 0.027 0.000 0.809 427 E CB -0.003 29.717 29.700 0.034 0.000 0.756 427 E HN 0.530 nan 8.360 nan 0.000 0.459 428 N N 1.209 119.924 118.700 0.025 0.000 2.124 428 N HA -0.067 4.674 4.740 0.001 0.000 0.188 428 N C 1.196 176.716 175.510 0.015 0.000 1.045 428 N CA 0.854 53.916 53.050 0.020 0.000 0.846 428 N CB -0.267 38.234 38.487 0.023 0.000 1.020 428 N HN 0.037 nan 8.380 nan 0.000 0.432 429 R N 1.554 122.065 120.500 0.018 0.000 2.526 429 R HA 0.238 4.578 4.340 0.001 0.000 0.223 429 R C 1.476 177.779 176.300 0.005 0.000 1.250 429 R CA -0.076 56.032 56.100 0.013 0.000 1.227 429 R CB -0.289 30.022 30.300 0.018 0.000 1.109 429 R HN 0.210 nan 8.270 nan 0.000 0.499 430 A N 1.914 124.736 122.820 0.003 0.000 1.849 430 A HA -0.320 4.000 4.320 0.001 0.000 0.216 430 A C 2.473 180.049 177.584 -0.013 0.000 1.225 430 A CA 2.286 54.319 52.037 -0.005 0.000 0.653 430 A CB -1.090 17.909 19.000 -0.003 0.000 0.844 430 A HN 0.492 nan 8.150 nan 0.000 0.453 431 E N 0.427 120.621 120.200 -0.011 0.000 2.086 431 E HA -0.300 4.050 4.350 0.001 0.000 0.200 431 E C 1.725 178.315 176.600 -0.018 0.000 1.012 431 E CA 2.132 58.523 56.400 -0.015 0.000 0.812 431 E CB -1.305 28.389 29.700 -0.010 0.000 0.743 431 E HN 0.949 nan 8.360 nan 0.000 0.453 432 E N -0.144 120.049 120.200 -0.011 0.000 2.401 432 E HA -0.001 4.349 4.350 0.001 0.000 0.199 432 E C 2.102 178.693 176.600 -0.016 0.000 1.023 432 E CA 1.055 57.449 56.400 -0.011 0.000 0.859 432 E CB -0.175 29.522 29.700 -0.004 0.000 0.780 432 E HN 0.547 nan 8.360 nan 0.000 0.523 433 L N 0.348 121.559 121.223 -0.021 0.000 2.269 433 L HA 0.093 4.434 4.340 0.001 0.000 0.200 433 L C 1.336 178.171 176.870 -0.058 0.000 1.069 433 L CA 0.591 55.414 54.840 -0.029 0.000 0.804 433 L CB -0.244 41.803 42.059 -0.020 0.000 0.987 433 L HN 0.207 nan 8.230 nan 0.000 0.468 434 K N 1.454 121.816 120.400 -0.064 0.000 3.689 434 K HA -0.198 4.122 4.320 0.001 0.000 0.276 434 K C -0.296 176.211 176.600 -0.154 0.000 0.932 434 K CA 0.860 57.094 56.287 -0.089 0.000 0.758 434 K CB -3.039 29.416 32.500 -0.074 0.000 1.500 434 K HN 0.308 nan 8.250 nan 0.000 0.448 435 L N 1.227 122.342 121.223 -0.179 0.000 2.369 435 L HA 0.452 4.792 4.340 0.001 0.000 0.279 435 L C 0.355 176.963 176.870 -0.437 0.000 1.108 435 L CA -0.461 54.171 54.840 -0.346 0.000 0.852 435 L CB 1.111 43.045 42.059 -0.209 0.000 1.169 435 L HN 0.646 nan 8.230 nan 0.000 0.452 436 D N 3.262 123.253 120.400 -0.681 0.000 2.602 436 D HA 0.269 4.910 4.640 0.001 0.000 0.245 436 D C -0.557 175.399 176.300 -0.573 0.000 1.325 436 D CA -0.341 53.382 54.000 -0.462 0.000 0.952 436 D CB 0.943 41.608 40.800 -0.225 0.000 1.317 436 D HN 0.224 nan 8.370 nan 0.000 0.577 437 F N 1.603 121.585 119.950 0.053 0.000 2.791 437 F HA 0.319 4.846 4.527 0.001 0.000 0.308 437 F C 2.036 177.917 175.800 0.135 0.000 1.138 437 F CA -0.656 57.411 58.000 0.112 0.000 1.294 437 F CB 1.161 40.254 39.000 0.154 0.000 0.975 437 F HN 0.508 nan 8.300 nan 0.000 0.512 438 G N 0.612 109.513 108.800 0.169 0.000 2.469 438 G HA2 -0.242 3.718 3.960 0.001 0.000 0.219 438 G HA3 -0.242 3.718 3.960 0.001 0.000 0.219 438 G C 1.705 176.688 174.900 0.138 0.000 1.150 438 G CA 1.442 46.615 45.100 0.122 0.000 0.763 438 G HN 0.242 nan 8.290 nan 0.000 0.561 439 V N -0.080 119.929 119.914 0.159 0.000 2.407 439 V HA -0.171 3.949 4.120 0.001 0.000 0.248 439 V C 2.245 178.495 176.094 0.259 0.000 1.055 439 V CA 1.842 64.242 62.300 0.166 0.000 1.049 439 V CB -0.641 31.273 31.823 0.151 0.000 0.662 439 V HN 0.682 nan 8.190 nan 0.000 0.455 440 W N 1.178 122.537 121.300 0.099 0.000 2.379 440 W HA -0.178 4.483 4.660 0.001 0.000 0.307 440 W C 2.689 179.255 176.519 0.079 0.000 1.200 440 W CA 1.282 58.681 57.345 0.090 0.000 1.297 440 W CB -0.109 29.412 29.460 0.101 0.000 1.140 440 W HN 0.137 nan 8.180 nan 0.000 0.507 441 R N 0.246 120.766 120.500 0.033 0.000 2.127 441 R HA -0.198 4.142 4.340 0.001 0.000 0.238 441 R C 1.709 177.926 176.300 -0.138 0.000 1.134 441 R CA 1.900 57.915 56.100 -0.141 0.000 0.975 441 R CB -0.598 29.695 30.300 -0.010 0.000 0.865 441 R HN 0.254 nan 8.270 nan 0.000 0.447 442 N N 0.547 119.219 118.700 -0.046 0.000 2.173 442 N HA -0.142 4.598 4.740 0.001 0.000 0.184 442 N C 1.557 177.026 175.510 -0.069 0.000 1.025 442 N CA 0.852 53.874 53.050 -0.046 0.000 0.852 442 N CB -0.106 38.381 38.487 0.001 0.000 0.998 442 N HN 0.248 nan 8.380 nan 0.000 0.427 443 E N 0.329 120.510 120.200 -0.032 0.000 2.219 443 E HA -0.182 4.168 4.350 0.001 0.000 0.198 443 E C 1.416 177.940 176.600 -0.126 0.000 0.998 443 E CA 0.829 57.224 56.400 -0.008 0.000 0.818 443 E CB 0.019 29.808 29.700 0.149 0.000 0.741 443 E HN 0.352 nan 8.360 nan 0.000 0.477 444 L N -0.047 121.009 121.223 -0.277 0.000 2.130 444 L HA -0.036 4.304 4.340 0.001 0.000 0.200 444 L C 2.090 178.831 176.870 -0.216 0.000 1.075 444 L CA 0.601 55.258 54.840 -0.306 0.000 0.768 444 L CB -0.365 41.395 42.059 -0.499 0.000 0.933 444 L HN 0.055 nan 8.230 nan 0.000 0.451 445 N N 0.015 118.598 118.700 -0.195 0.000 2.430 445 N HA -0.156 4.584 4.740 0.001 0.000 0.186 445 N C 1.688 177.108 175.510 -0.150 0.000 1.032 445 N CA 1.298 54.243 53.050 -0.175 0.000 0.893 445 N CB -0.177 38.233 38.487 -0.128 0.000 0.957 445 N HN 0.349 nan 8.380 nan 0.000 0.442 446 V N -2.196 117.642 119.914 -0.126 0.000 2.346 446 V HA -0.079 4.041 4.120 0.001 0.000 0.244 446 V C 1.974 178.026 176.094 -0.069 0.000 1.037 446 V CA 1.047 63.293 62.300 -0.090 0.000 1.029 446 V CB -0.601 31.180 31.823 -0.069 0.000 0.663 446 V HN 0.085 nan 8.190 nan 0.000 0.454 447 Q N 1.146 120.882 119.800 -0.107 0.000 2.096 447 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 447 Q C 2.283 178.338 176.000 0.091 0.000 0.982 447 Q CA 2.269 58.073 55.803 0.001 0.000 0.850 447 Q CB -0.532 28.055 28.738 -0.252 0.000 0.901 447 Q HN 0.769 nan 8.270 nan 0.000 0.422 448 K N 0.427 120.720 120.400 -0.180 0.000 2.280 448 K HA -0.160 4.160 4.320 0.001 0.000 0.202 448 K C 1.993 178.426 176.600 -0.279 0.000 1.047 448 K CA 0.961 56.885 56.287 -0.606 0.000 0.942 448 K CB 0.186 32.206 32.500 -0.800 0.000 0.739 448 K HN 0.157 nan 8.250 nan 0.000 0.457 449 Q N -0.187 119.532 119.800 -0.136 0.000 2.200 449 Q HA -0.066 4.274 4.340 0.001 0.000 0.197 449 Q C 2.109 178.054 176.000 -0.091 0.000 0.953 449 Q CA 1.285 57.028 55.803 -0.100 0.000 0.851 449 Q CB 0.200 28.880 28.738 -0.096 0.000 0.938 449 Q HN 0.245 nan 8.270 nan 0.000 0.488 450 K N -0.066 120.286 120.400 -0.080 0.000 2.365 450 K HA -0.034 4.286 4.320 0.001 0.000 0.199 450 K C 0.410 176.611 176.600 -0.665 0.000 1.045 450 K CA 0.992 57.084 56.287 -0.325 0.000 0.962 450 K CB -0.049 32.294 32.500 -0.262 0.000 0.759 450 K HN 0.225 nan 8.250 nan 0.000 0.469 451 F N 0.658 120.633 119.950 0.041 0.000 2.566 451 F HA 0.254 4.781 4.527 0.001 0.000 0.352 451 F C -2.590 173.345 175.800 0.224 0.000 1.534 451 F CA -2.872 55.201 58.000 0.122 0.000 1.097 451 F CB 1.504 40.595 39.000 0.152 0.000 1.488 451 F HN -0.075 nan 8.300 nan 0.000 0.562 452 P HA 0.178 nan 4.420 nan 0.000 0.276 452 P C 0.054 177.523 177.300 0.283 0.000 1.252 452 P CA -0.342 62.930 63.100 0.287 0.000 0.802 452 P CB 1.782 33.551 31.700 0.116 0.000 1.035 453 L N 1.330 122.717 121.223 0.274 0.000 2.540 453 L HA 0.085 4.425 4.340 0.001 0.000 0.276 453 L C 0.903 177.948 176.870 0.292 0.000 1.212 453 L CA 0.899 55.869 54.840 0.217 0.000 0.893 453 L CB 0.039 42.091 42.059 -0.012 0.000 1.138 453 L HN 0.587 nan 8.230 nan 0.000 0.491 454 S N 3.219 119.131 115.700 0.353 0.000 2.540 454 S HA 0.754 5.224 4.470 0.001 0.000 0.275 454 S C -0.822 173.986 174.600 0.347 0.000 1.123 454 S CA -0.904 57.465 58.200 0.282 0.000 0.907 454 S CB 1.893 65.156 63.200 0.105 0.000 1.081 454 S HN 0.429 nan 8.310 nan 0.000 0.476 455 F N -0.182 119.848 119.950 0.134 0.000 2.611 455 F HA 0.858 5.385 4.527 0.001 0.000 0.324 455 F C -0.632 175.153 175.800 -0.026 0.000 1.061 455 F CA -1.113 56.898 58.000 0.018 0.000 0.954 455 F CB 1.520 40.418 39.000 -0.170 0.000 1.301 455 F HN 0.763 nan 8.300 nan 0.000 0.482 456 K N 0.798 121.266 120.400 0.114 0.000 2.259 456 K HA 0.597 4.917 4.320 0.001 0.000 0.252 456 K C -1.309 175.292 176.600 0.002 0.000 0.936 456 K CA -0.581 55.653 56.287 -0.088 0.000 0.810 456 K CB 1.964 34.414 32.500 -0.083 0.000 1.143 456 K HN 0.897 nan 8.250 nan 0.000 0.427 457 T N 3.575 117.984 114.554 -0.241 0.000 2.794 457 T HA 0.459 4.809 4.350 0.001 0.000 0.280 457 T C -1.056 173.425 174.700 -0.365 0.000 0.987 457 T CA -0.348 61.675 62.100 -0.127 0.000 0.993 457 T CB 0.249 69.034 68.868 -0.138 0.000 0.939 457 T HN 0.278 nan 8.240 nan 0.000 0.449 458 F N 2.239 122.156 119.950 -0.056 0.000 2.445 458 F HA 0.564 5.091 4.527 0.001 0.000 0.348 458 F C 1.253 177.023 175.800 -0.050 0.000 1.125 458 F CA -0.415 57.553 58.000 -0.053 0.000 0.983 458 F CB 0.956 39.926 39.000 -0.049 0.000 1.198 458 F HN 0.909 nan 8.300 nan 0.000 0.436 459 G N 2.809 111.642 108.800 0.055 0.000 2.634 459 G HA2 -0.308 3.652 3.960 0.001 0.000 0.309 459 G HA3 -0.308 3.652 3.960 0.001 0.000 0.309 459 G C 0.856 175.762 174.900 0.010 0.000 1.265 459 G CA 0.424 45.542 45.100 0.030 0.000 0.998 459 G HN 0.517 nan 8.290 nan 0.000 0.551 460 E N 1.645 121.857 120.200 0.020 0.000 2.476 460 E HA 0.487 4.837 4.350 0.001 0.000 0.196 460 E C 1.414 178.026 176.600 0.020 0.000 1.029 460 E CA 0.608 57.012 56.400 0.007 0.000 0.896 460 E CB 0.200 29.905 29.700 0.008 0.000 1.012 460 E HN 0.857 nan 8.360 nan 0.000 0.475 461 A N 1.041 123.886 122.820 0.042 0.000 2.425 461 A HA 0.234 4.554 4.320 0.001 0.000 0.242 461 A C 0.408 178.010 177.584 0.030 0.000 1.077 461 A CA -0.104 51.959 52.037 0.043 0.000 0.781 461 A CB 0.137 19.172 19.000 0.058 0.000 1.020 461 A HN 0.171 nan 8.150 nan 0.000 0.494 462 I N 2.779 123.362 120.570 0.022 0.000 2.352 462 I HA 0.220 4.391 4.170 0.001 0.000 0.290 462 I C -2.191 173.911 176.117 -0.025 0.000 1.036 462 I CA -1.708 59.600 61.300 0.014 0.000 1.336 462 I CB 1.368 39.384 38.000 0.026 0.000 1.407 462 I HN 0.368 nan 8.210 nan 0.000 0.497 463 P HA 0.178 nan 4.420 nan 0.000 0.287 463 P C -1.931 175.182 177.300 -0.311 0.000 1.281 463 P CA -1.590 61.405 63.100 -0.175 0.000 0.781 463 P CB 0.572 32.182 31.700 -0.149 0.000 0.903 464 P HA -0.243 nan 4.420 nan 0.000 0.216 464 P C 1.060 178.047 177.300 -0.522 0.000 1.153 464 P CA 1.751 64.623 63.100 -0.379 0.000 0.858 464 P CB 0.205 31.660 31.700 -0.408 0.000 0.789 465 Q N -0.773 118.440 119.800 -0.977 0.000 2.030 465 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 465 Q C 2.366 177.764 176.000 -1.003 0.000 0.986 465 Q CA 1.657 56.641 55.803 -1.365 0.000 0.843 465 Q CB -1.610 25.738 28.738 -2.316 0.000 0.904 465 Q HN 0.281 nan 8.270 nan 0.000 0.420 466 Y N 0.773 120.369 120.300 -1.174 0.000 2.165 466 Y HA -0.281 4.269 4.550 0.001 0.000 0.286 466 Y C 2.179 177.888 175.900 -0.318 0.000 1.155 466 Y CA 1.430 59.124 58.100 -0.676 0.000 1.164 466 Y CB -0.697 37.489 38.460 -0.457 0.000 0.978 466 Y HN 0.120 nan 8.280 nan 0.000 0.513 467 A N 0.560 123.241 122.820 -0.231 0.000 1.859 467 A HA -0.244 4.076 4.320 0.001 0.000 0.217 467 A C 2.339 179.829 177.584 -0.157 0.000 1.198 467 A CA 2.348 54.288 52.037 -0.163 0.000 0.629 467 A CB -1.294 17.663 19.000 -0.071 0.000 0.830 467 A HN 0.562 nan 8.150 nan 0.000 0.446 468 I N -0.785 119.723 120.570 -0.104 0.000 2.208 468 I HA -0.300 3.870 4.170 0.001 0.000 0.245 468 I C 2.568 178.685 176.117 0.000 0.000 1.097 468 I CA 1.804 63.126 61.300 0.036 0.000 1.363 468 I CB -0.335 37.755 38.000 0.149 0.000 1.051 468 I HN 0.337 nan 8.210 nan 0.000 0.413 469 K N 0.373 120.696 120.400 -0.128 0.000 2.097 469 K HA -0.143 4.177 4.320 0.001 0.000 0.206 469 K C 2.045 178.503 176.600 -0.238 0.000 1.049 469 K CA 1.264 57.459 56.287 -0.153 0.000 0.933 469 K CB -0.025 32.377 32.500 -0.162 0.000 0.717 469 K HN 0.171 nan 8.250 nan 0.000 0.442 470 V N 1.344 121.051 119.914 -0.345 0.000 2.427 470 V HA -0.218 3.903 4.120 0.001 0.000 0.248 470 V C 2.112 178.117 176.094 -0.149 0.000 1.051 470 V CA 1.220 63.339 62.300 -0.301 0.000 1.048 470 V CB -0.344 31.262 31.823 -0.361 0.000 0.666 470 V HN 0.286 nan 8.190 nan 0.000 0.456 471 L N 0.619 121.794 121.223 -0.079 0.000 2.046 471 L HA -0.168 4.172 4.340 0.001 0.000 0.208 471 L C 2.183 179.081 176.870 0.047 0.000 1.077 471 L CA 2.270 57.126 54.840 0.028 0.000 0.747 471 L CB -0.840 41.289 42.059 0.118 0.000 0.896 471 L HN 0.358 nan 8.230 nan 0.000 0.432 472 D N -0.355 120.001 120.400 -0.073 0.000 2.092 472 D HA -0.295 4.345 4.640 0.001 0.000 0.193 472 D C 2.043 178.176 176.300 -0.278 0.000 0.994 472 D CA 1.719 55.444 54.000 -0.458 0.000 0.828 472 D CB -0.040 40.363 40.800 -0.661 0.000 0.963 472 D HN 0.646 nan 8.370 nan 0.000 0.450 473 E N 0.027 120.108 120.200 -0.198 0.000 2.023 473 E HA -0.181 4.170 4.350 0.001 0.000 0.196 473 E C 2.541 179.085 176.600 -0.093 0.000 1.003 473 E CA 1.129 57.445 56.400 -0.140 0.000 0.809 473 E CB -0.341 29.285 29.700 -0.124 0.000 0.755 473 E HN 0.315 nan 8.360 nan 0.000 0.449 474 L N 0.571 121.750 121.223 -0.074 0.000 2.265 474 L HA -0.106 4.235 4.340 0.001 0.000 0.215 474 L C 2.404 179.261 176.870 -0.022 0.000 1.117 474 L CA 1.562 56.375 54.840 -0.045 0.000 0.782 474 L CB -0.500 41.533 42.059 -0.043 0.000 0.914 474 L HN 0.406 nan 8.230 nan 0.000 0.441 475 T N -6.006 108.545 114.554 -0.006 0.000 3.069 475 T HA 0.054 4.405 4.350 0.001 0.000 0.252 475 T C 0.734 175.442 174.700 0.014 0.000 1.053 475 T CA 0.187 62.307 62.100 0.033 0.000 0.964 475 T CB 0.174 69.111 68.868 0.115 0.000 1.005 475 T HN 0.191 nan 8.240 nan 0.000 0.532 476 D N 1.411 121.786 120.400 -0.042 0.000 2.945 476 D HA -0.140 4.500 4.640 0.001 0.000 0.225 476 D C 1.127 177.383 176.300 -0.073 0.000 1.158 476 D CA 1.357 55.320 54.000 -0.061 0.000 0.805 476 D CB -1.703 39.081 40.800 -0.026 0.000 1.098 476 D HN 0.937 nan 8.370 nan 0.000 0.426 477 G N 0.140 108.864 108.800 -0.127 0.000 2.283 477 G HA2 -0.384 3.576 3.960 0.001 0.000 0.280 477 G HA3 -0.384 3.576 3.960 0.001 0.000 0.280 477 G C 0.830 175.802 174.900 0.119 0.000 1.029 477 G CA 0.852 45.874 45.100 -0.131 0.000 0.840 477 G HN 0.561 nan 8.290 nan 0.000 0.505 478 K N -0.517 119.967 120.400 0.140 0.000 2.414 478 K HA 0.517 4.838 4.320 0.001 0.000 0.204 478 K C 1.198 177.887 176.600 0.148 0.000 1.026 478 K CA 0.353 56.716 56.287 0.128 0.000 1.108 478 K CB 0.967 33.511 32.500 0.074 0.000 0.855 478 K HN 0.506 nan 8.250 nan 0.000 0.517 479 A N 1.343 124.284 122.820 0.203 0.000 2.302 479 A HA 0.449 4.770 4.320 0.001 0.000 0.285 479 A C -0.075 177.571 177.584 0.103 0.000 1.105 479 A CA -0.510 51.607 52.037 0.133 0.000 0.816 479 A CB 0.284 19.360 19.000 0.126 0.000 1.067 479 A HN 0.199 nan 8.150 nan 0.000 0.489 480 I N 2.608 123.224 120.570 0.077 0.000 2.325 480 I HA 0.174 4.345 4.170 0.001 0.000 0.291 480 I C -0.598 175.549 176.117 0.050 0.000 1.019 480 I CA -0.221 61.128 61.300 0.082 0.000 1.302 480 I CB 0.775 38.809 38.000 0.055 0.000 1.401 480 I HN 0.359 nan 8.210 nan 0.000 0.485 481 I N 5.578 126.201 120.570 0.090 0.000 2.339 481 I HA 0.242 4.412 4.170 0.001 0.000 0.290 481 I C 0.332 176.466 176.117 0.030 0.000 0.994 481 I CA -0.096 61.249 61.300 0.074 0.000 1.191 481 I CB 1.309 39.403 38.000 0.156 0.000 1.343 481 I HN 0.464 nan 8.210 nan 0.000 0.458 482 S N 4.762 120.454 115.700 -0.013 0.000 2.608 482 S HA 0.777 5.247 4.470 0.001 0.000 0.291 482 S C -0.210 174.365 174.600 -0.041 0.000 1.146 482 S CA -0.028 58.124 58.200 -0.080 0.000 1.043 482 S CB 1.207 64.351 63.200 -0.093 0.000 1.037 482 S HN 0.705 nan 8.310 nan 0.000 0.520 483 T N 1.988 116.505 114.554 -0.061 0.000 2.868 483 T HA 0.638 4.988 4.350 0.001 0.000 0.306 483 T C 0.338 175.081 174.700 0.073 0.000 1.224 483 T CA -0.306 61.788 62.100 -0.009 0.000 1.012 483 T CB 1.440 70.191 68.868 -0.194 0.000 1.221 483 T HN 0.821 nan 8.240 nan 0.000 0.499 484 G N 0.293 109.213 108.800 0.200 0.000 2.630 484 G HA2 0.629 4.589 3.960 0.001 0.000 0.223 484 G HA3 0.629 4.589 3.960 0.001 0.000 0.223 484 G C -0.974 173.897 174.900 -0.049 0.000 1.434 484 G CA -0.408 44.838 45.100 0.243 0.000 1.057 484 G HN 0.663 nan 8.290 nan 0.000 0.570 485 V N -0.183 119.770 119.914 0.064 0.000 2.588 485 V HA 0.817 4.937 4.120 0.001 0.000 0.304 485 V C 0.691 176.779 176.094 -0.010 0.000 1.042 485 V CA 0.716 62.965 62.300 -0.084 0.000 0.877 485 V CB 0.736 32.507 31.823 -0.086 0.000 0.996 485 V HN 1.736 nan 8.190 nan 0.000 0.425 486 G N 3.569 112.298 108.800 -0.118 0.000 2.260 486 G HA2 -0.037 3.923 3.960 0.001 0.000 0.250 486 G HA3 -0.037 3.923 3.960 0.001 0.000 0.250 486 G C 0.109 174.898 174.900 -0.185 0.000 1.340 486 G CA 0.074 45.141 45.100 -0.056 0.000 1.056 486 G HN 0.443 nan 8.290 nan 0.000 0.471 487 Q N -0.682 119.000 119.800 -0.196 0.000 2.061 487 Q HA -0.157 4.183 4.340 0.001 0.000 0.204 487 Q C 2.258 177.893 176.000 -0.607 0.000 0.984 487 Q CA 2.481 57.905 55.803 -0.632 0.000 0.846 487 Q CB -0.349 27.949 28.738 -0.733 0.000 0.902 487 Q HN 0.870 nan 8.270 nan 0.000 0.421 488 H N -0.245 118.726 119.070 -0.164 0.000 2.387 488 H HA -0.171 4.385 4.556 0.001 0.000 0.299 488 H C 2.076 177.484 175.328 0.133 0.000 1.099 488 H CA 1.487 57.626 56.048 0.151 0.000 1.315 488 H CB -0.262 29.614 29.762 0.191 0.000 1.380 488 H HN 0.258 nan 8.280 nan 0.000 0.513 489 Q N 0.203 119.668 119.800 -0.558 0.000 2.084 489 Q HA -0.152 4.189 4.340 0.001 0.000 0.202 489 Q C 1.828 177.827 176.000 -0.001 0.000 0.978 489 Q CA 1.774 57.398 55.803 -0.298 0.000 0.844 489 Q CB 0.077 28.596 28.738 -0.365 0.000 0.898 489 Q HN 0.487 nan 8.270 nan 0.000 0.426 490 M N -0.855 118.642 119.600 -0.171 0.000 2.175 490 M HA -0.143 4.337 4.480 0.001 0.000 0.264 490 M C 1.758 178.071 176.300 0.022 0.000 1.063 490 M CA 1.034 56.240 55.300 -0.157 0.000 1.119 490 M CB -1.171 31.163 32.600 -0.443 0.000 1.377 490 M HN 0.391 nan 8.290 nan 0.000 0.415 491 W N 0.547 121.948 121.300 0.167 0.000 2.436 491 W HA 0.100 4.760 4.660 0.001 0.000 0.284 491 W C 2.562 179.271 176.519 0.318 0.000 1.225 491 W CA 1.184 58.711 57.345 0.304 0.000 1.271 491 W CB -1.303 28.277 29.460 0.200 0.000 1.114 491 W HN 0.279 nan 8.180 nan 0.000 0.559 492 A N 0.263 123.348 122.820 0.442 0.000 2.067 492 A HA 0.093 4.414 4.320 0.001 0.000 0.219 492 A C 2.195 179.962 177.584 0.305 0.000 1.158 492 A CA 2.066 54.351 52.037 0.414 0.000 0.661 492 A CB -0.626 18.641 19.000 0.446 0.000 0.801 492 A HN 0.109 nan 8.150 nan 0.000 0.452 493 A N -1.041 121.849 122.820 0.116 0.000 1.956 493 A HA 0.018 4.338 4.320 0.001 0.000 0.212 493 A C 2.070 179.609 177.584 -0.074 0.000 1.188 493 A CA 1.041 52.922 52.037 -0.259 0.000 0.675 493 A CB -0.265 18.529 19.000 -0.343 0.000 0.845 493 A HN 0.561 nan 8.150 nan 0.000 0.455 494 Q N -1.263 118.549 119.800 0.020 0.000 2.062 494 Q HA -0.006 4.335 4.340 0.001 0.000 0.196 494 Q C 0.445 176.189 176.000 -0.427 0.000 0.967 494 Q CA 1.157 56.833 55.803 -0.213 0.000 0.832 494 Q CB -0.114 28.492 28.738 -0.220 0.000 0.899 494 Q HN 0.699 nan 8.270 nan 0.000 0.442 495 F N -0.792 119.219 119.950 0.101 0.000 2.660 495 F HA 0.225 4.752 4.527 0.001 0.000 0.297 495 F C -0.222 175.587 175.800 0.016 0.000 1.132 495 F CA -0.330 57.695 58.000 0.041 0.000 1.372 495 F CB 0.129 39.139 39.000 0.018 0.000 1.003 495 F HN -0.034 nan 8.300 nan 0.000 0.524 496 Y N 0.476 120.742 120.300 -0.056 0.000 2.462 496 Y HA 0.452 5.003 4.550 0.001 0.000 0.346 496 Y C -0.568 175.069 175.900 -0.439 0.000 0.976 496 Y CA -1.264 56.681 58.100 -0.258 0.000 1.044 496 Y CB 1.184 39.432 38.460 -0.354 0.000 1.230 496 Y HN -0.148 nan 8.280 nan 0.000 0.455 497 N N 5.225 123.566 118.700 -0.599 0.000 2.558 497 N HA 0.150 4.890 4.740 0.001 0.000 0.242 497 N C -1.753 173.589 175.510 -0.279 0.000 0.979 497 N CA -0.333 52.520 53.050 -0.328 0.000 0.931 497 N CB 0.617 38.961 38.487 -0.239 0.000 1.122 497 N HN 0.521 nan 8.380 nan 0.000 0.508 498 Y N 1.367 121.764 120.300 0.161 0.000 2.402 498 Y HA 0.127 4.677 4.550 0.001 0.000 0.333 498 Y C 1.825 177.775 175.900 0.084 0.000 1.076 498 Y CA -0.262 57.944 58.100 0.176 0.000 1.299 498 Y CB 1.109 39.648 38.460 0.131 0.000 1.197 498 Y HN 0.169 nan 8.280 nan 0.000 0.517 499 K N 1.969 122.476 120.400 0.179 0.000 2.211 499 K HA 0.116 4.436 4.320 0.001 0.000 0.201 499 K C 0.160 176.823 176.600 0.104 0.000 1.052 499 K CA 0.788 57.130 56.287 0.091 0.000 0.973 499 K CB 0.264 32.800 32.500 0.060 0.000 0.766 499 K HN 0.509 nan 8.250 nan 0.000 0.466 500 K N 0.356 120.850 120.400 0.156 0.000 2.466 500 K HA 0.456 4.777 4.320 0.001 0.000 0.260 500 K C -2.783 173.913 176.600 0.160 0.000 1.011 500 K CA -2.305 54.063 56.287 0.135 0.000 0.871 500 K CB 1.292 33.857 32.500 0.110 0.000 1.404 500 K HN -0.248 nan 8.250 nan 0.000 0.450 501 P HA 0.305 nan 4.420 nan 0.000 0.276 501 P C -0.766 176.601 177.300 0.112 0.000 1.252 501 P CA -0.254 62.919 63.100 0.120 0.000 0.802 501 P CB 0.419 32.179 31.700 0.100 0.000 1.035 502 R N -0.601 119.961 120.500 0.103 0.000 3.656 502 R HA -0.223 4.117 4.340 0.001 0.000 0.297 502 R C 0.632 176.991 176.300 0.098 0.000 1.166 502 R CA 0.500 56.648 56.100 0.080 0.000 0.799 502 R CB -2.200 28.134 30.300 0.057 0.000 1.285 502 R HN 0.616 nan 8.270 nan 0.000 0.477 503 Q N -0.793 119.100 119.800 0.154 0.000 2.245 503 Q HA 0.084 4.425 4.340 0.001 0.000 0.250 503 Q C -0.293 175.861 176.000 0.257 0.000 0.830 503 Q CA -0.108 55.826 55.803 0.219 0.000 0.950 503 Q CB 0.802 29.742 28.738 0.337 0.000 1.124 503 Q HN 0.453 nan 8.270 nan 0.000 0.502 504 W N 2.508 123.740 121.300 -0.113 0.000 2.336 504 W HA 0.447 5.107 4.660 0.001 0.000 0.315 504 W C -1.956 174.490 176.519 -0.122 0.000 1.016 504 W CA -0.505 56.679 57.345 -0.268 0.000 1.318 504 W CB 0.374 29.421 29.460 -0.688 0.000 1.247 504 W HN -0.083 nan 8.180 nan 0.000 0.414 505 L N 6.316 127.289 121.223 -0.417 0.000 2.295 505 L HA 0.440 4.780 4.340 0.001 0.000 0.281 505 L C 0.033 176.566 176.870 -0.561 0.000 1.018 505 L CA -0.389 54.234 54.840 -0.361 0.000 0.841 505 L CB 1.234 43.223 42.059 -0.117 0.000 1.218 505 L HN 0.254 nan 8.230 nan 0.000 0.424 506 S N 1.251 116.484 115.700 -0.779 0.000 2.543 506 S HA 0.277 4.747 4.470 0.001 0.000 0.271 506 S C -0.571 173.562 174.600 -0.778 0.000 1.148 506 S CA -0.469 57.237 58.200 -0.822 0.000 0.914 506 S CB 2.093 64.485 63.200 -1.347 0.000 1.096 506 S HN 0.552 nan 8.310 nan 0.000 0.471 507 S N 3.488 118.554 115.700 -1.057 0.000 2.429 507 S HA 0.381 4.851 4.470 0.001 0.000 0.292 507 S C 1.172 175.490 174.600 -0.470 0.000 1.183 507 S CA 0.232 57.872 58.200 -0.933 0.000 1.088 507 S CB -0.236 62.289 63.200 -1.126 0.000 1.018 507 S HN 0.870 nan 8.310 nan 0.000 0.511 508 G N 4.138 112.746 108.800 -0.319 0.000 2.570 508 G HA2 0.179 4.140 3.960 0.001 0.000 0.209 508 G HA3 0.179 4.140 3.960 0.001 0.000 0.209 508 G C 1.269 176.095 174.900 -0.124 0.000 1.168 508 G CA 0.391 45.392 45.100 -0.166 0.000 0.831 508 G HN 0.789 nan 8.290 nan 0.000 0.564 509 G N 0.868 109.597 108.800 -0.119 0.000 2.414 509 G HA2 -0.091 3.870 3.960 0.001 0.000 0.215 509 G HA3 -0.091 3.870 3.960 0.001 0.000 0.215 509 G C 1.702 176.549 174.900 -0.089 0.000 1.188 509 G CA 1.108 46.158 45.100 -0.083 0.000 0.783 509 G HN 0.352 nan 8.290 nan 0.000 0.537 510 L N 0.594 121.751 121.223 -0.111 0.000 2.307 510 L HA 0.374 4.714 4.340 0.001 0.000 0.211 510 L C 1.760 178.560 176.870 -0.117 0.000 1.099 510 L CA 1.456 56.239 54.840 -0.095 0.000 0.816 510 L CB -0.280 41.733 42.059 -0.076 0.000 0.952 510 L HN 0.455 nan 8.230 nan 0.000 0.455 511 G N 0.450 109.145 108.800 -0.174 0.000 2.351 511 G HA2 -0.165 3.796 3.960 0.001 0.000 0.297 511 G HA3 -0.165 3.796 3.960 0.001 0.000 0.297 511 G C 0.309 175.112 174.900 -0.162 0.000 1.054 511 G CA 0.228 45.216 45.100 -0.186 0.000 1.123 511 G HN 0.806 nan 8.290 nan 0.000 0.512 512 A N 1.708 124.406 122.820 -0.203 0.000 2.366 512 A HA 0.750 5.070 4.320 0.001 0.000 0.272 512 A C 0.897 178.419 177.584 -0.103 0.000 1.135 512 A CA -0.111 51.864 52.037 -0.103 0.000 0.804 512 A CB 0.405 19.404 19.000 -0.001 0.000 1.064 512 A HN 0.622 nan 8.150 nan 0.000 0.499 513 M N 1.547 121.138 119.600 -0.015 0.000 2.228 513 M HA 0.387 4.868 4.480 0.001 0.000 0.326 513 M C 1.352 177.682 176.300 0.050 0.000 1.122 513 M CA 1.272 56.580 55.300 0.014 0.000 1.161 513 M CB 0.683 33.296 32.600 0.022 0.000 1.437 513 M HN 1.340 nan 8.290 nan 0.000 0.465 514 G N 1.355 110.181 108.800 0.044 0.000 2.160 514 G HA2 -0.294 3.666 3.960 0.001 0.000 0.251 514 G HA3 -0.294 3.666 3.960 0.001 0.000 0.251 514 G C 0.149 175.058 174.900 0.015 0.000 1.008 514 G CA 0.490 45.615 45.100 0.043 0.000 0.724 514 G HN 0.792 nan 8.290 nan 0.000 0.514 515 F N 1.095 120.834 119.950 -0.351 0.000 2.317 515 F HA 0.325 4.853 4.527 0.001 0.000 0.293 515 F C 2.242 177.829 175.800 -0.356 0.000 1.085 515 F CA 1.829 59.396 58.000 -0.722 0.000 1.390 515 F CB -0.304 38.197 39.000 -0.832 0.000 1.077 515 F HN 0.112 nan 8.300 nan 0.000 0.517 516 G N 1.263 109.988 108.800 -0.125 0.000 2.480 516 G HA2 -0.310 3.650 3.960 0.001 0.000 0.216 516 G HA3 -0.310 3.650 3.960 0.001 0.000 0.216 516 G C 1.583 176.398 174.900 -0.143 0.000 1.200 516 G CA 1.180 46.209 45.100 -0.119 0.000 0.782 516 G HN 0.375 nan 8.290 nan 0.000 0.554 517 L N 1.832 123.025 121.223 -0.049 0.000 1.989 517 L HA 0.039 4.379 4.340 0.001 0.000 0.211 517 L C 0.131 176.941 176.870 -0.101 0.000 1.071 517 L CA 2.045 56.872 54.840 -0.022 0.000 0.749 517 L CB -1.000 41.045 42.059 -0.022 0.000 0.890 517 L HN 0.139 nan 8.230 nan 0.000 0.431 518 P HA -0.094 nan 4.420 nan 0.000 0.217 518 P C 1.515 178.650 177.300 -0.276 0.000 1.150 518 P CA 1.815 64.822 63.100 -0.156 0.000 0.832 518 P CB -0.155 31.511 31.700 -0.057 0.000 0.787 519 A N 0.183 122.700 122.820 -0.504 0.000 1.933 519 A HA -0.127 4.193 4.320 0.001 0.000 0.218 519 A C 2.317 179.718 177.584 -0.305 0.000 1.175 519 A CA 2.075 53.745 52.037 -0.611 0.000 0.628 519 A CB -1.638 16.638 19.000 -1.206 0.000 0.814 519 A HN 0.184 nan 8.150 nan 0.000 0.444 520 A N 0.150 122.840 122.820 -0.218 0.000 1.908 520 A HA -0.125 4.195 4.320 0.001 0.000 0.218 520 A C 2.110 179.670 177.584 -0.039 0.000 1.181 520 A CA 1.554 53.536 52.037 -0.092 0.000 0.627 520 A CB -0.652 18.324 19.000 -0.040 0.000 0.818 520 A HN 0.517 nan 8.150 nan 0.000 0.445 521 I N -0.376 120.170 120.570 -0.039 0.000 2.151 521 I HA -0.266 3.904 4.170 0.001 0.000 0.243 521 I C 2.718 178.890 176.117 0.093 0.000 1.080 521 I CA 1.367 62.688 61.300 0.036 0.000 1.339 521 I CB -0.801 37.219 38.000 0.034 0.000 1.039 521 I HN 0.420 nan 8.210 nan 0.000 0.409 522 G N 0.352 109.148 108.800 -0.006 0.000 2.421 522 G HA2 -0.209 3.751 3.960 0.001 0.000 0.216 522 G HA3 -0.209 3.751 3.960 0.001 0.000 0.216 522 G C 1.874 176.863 174.900 0.149 0.000 1.171 522 G CA 0.803 45.972 45.100 0.116 0.000 0.775 522 G HN 0.499 nan 8.290 nan 0.000 0.543 523 A N 0.481 123.314 122.820 0.023 0.000 1.940 523 A HA -0.033 4.288 4.320 0.001 0.000 0.219 523 A C 2.630 180.224 177.584 0.018 0.000 1.176 523 A CA 2.361 54.394 52.037 -0.006 0.000 0.631 523 A CB -0.776 18.208 19.000 -0.026 0.000 0.814 523 A HN 0.408 nan 8.150 nan 0.000 0.446 524 S N -0.723 115.007 115.700 0.050 0.000 2.355 524 S HA -0.113 4.358 4.470 0.001 0.000 0.222 524 S C 1.864 176.514 174.600 0.083 0.000 1.031 524 S CA 1.535 59.772 58.200 0.062 0.000 0.993 524 S CB -0.422 62.821 63.200 0.071 0.000 0.859 524 S HN 0.304 nan 8.310 nan 0.000 0.453 525 V N 1.794 121.798 119.914 0.150 0.000 2.594 525 V HA -0.051 4.069 4.120 0.001 0.000 0.253 525 V C 2.524 178.695 176.094 0.127 0.000 1.069 525 V CA 1.598 64.010 62.300 0.186 0.000 1.082 525 V CB -0.992 31.029 31.823 0.328 0.000 0.680 525 V HN 0.584 nan 8.190 nan 0.000 0.469 526 A N -0.475 122.352 122.820 0.013 0.000 2.178 526 A HA 0.087 4.408 4.320 0.001 0.000 0.211 526 A C 0.971 178.486 177.584 -0.114 0.000 1.157 526 A CA 0.489 52.387 52.037 -0.232 0.000 0.780 526 A CB -0.044 18.605 19.000 -0.584 0.000 0.828 526 A HN 0.579 nan 8.150 nan 0.000 0.476 527 N N -0.409 118.269 118.700 -0.036 0.000 2.726 527 N HA 0.173 4.913 4.740 0.001 0.000 0.253 527 N C -2.624 172.896 175.510 0.017 0.000 1.530 527 N CA -0.835 52.208 53.050 -0.010 0.000 0.772 527 N CB 1.260 39.742 38.487 -0.008 0.000 1.220 527 N HN -0.016 nan 8.380 nan 0.000 0.508 528 P HA -0.116 nan 4.420 nan 0.000 0.216 528 P C 0.330 177.650 177.300 0.032 0.000 1.153 528 P CA 1.389 64.510 63.100 0.035 0.000 0.858 528 P CB 0.305 32.026 31.700 0.034 0.000 0.789 529 D N -1.272 119.145 120.400 0.027 0.000 2.395 529 D HA 0.261 4.902 4.640 0.001 0.000 0.226 529 D C 0.545 176.862 176.300 0.030 0.000 1.146 529 D CA 0.141 54.158 54.000 0.027 0.000 0.830 529 D CB 0.086 40.900 40.800 0.024 0.000 0.958 529 D HN 0.129 nan 8.370 nan 0.000 0.501 530 A N 0.357 123.196 122.820 0.032 0.000 2.330 530 A HA 0.636 4.956 4.320 0.001 0.000 0.329 530 A C -0.028 177.580 177.584 0.040 0.000 1.135 530 A CA -0.639 51.420 52.037 0.037 0.000 0.817 530 A CB 1.217 20.238 19.000 0.036 0.000 1.269 530 A HN 0.088 nan 8.150 nan 0.000 0.469 531 I N 1.139 121.736 120.570 0.046 0.000 2.371 531 I HA 0.316 4.486 4.170 0.001 0.000 0.290 531 I C -0.824 175.322 176.117 0.048 0.000 1.028 531 I CA -0.253 61.075 61.300 0.047 0.000 1.345 531 I CB 1.324 39.355 38.000 0.052 0.000 1.407 531 I HN 0.208 nan 8.210 nan 0.000 0.501 532 V N 7.650 127.591 119.914 0.044 0.000 2.357 532 V HA 0.292 4.413 4.120 0.001 0.000 0.281 532 V C -0.146 175.973 176.094 0.040 0.000 1.015 532 V CA -0.588 61.735 62.300 0.039 0.000 0.827 532 V CB 1.628 33.472 31.823 0.035 0.000 1.018 532 V HN 0.395 nan 8.190 nan 0.000 0.432 533 V N 3.447 123.382 119.914 0.035 0.000 2.398 533 V HA 0.446 4.566 4.120 0.001 0.000 0.286 533 V C -0.391 175.726 176.094 0.039 0.000 1.026 533 V CA -0.484 61.840 62.300 0.040 0.000 0.868 533 V CB 2.099 33.946 31.823 0.039 0.000 0.982 533 V HN 0.922 nan 8.190 nan 0.000 0.443 534 D N 4.833 125.264 120.400 0.050 0.000 2.373 534 D HA 0.338 4.979 4.640 0.001 0.000 0.227 534 D C -0.283 176.066 176.300 0.082 0.000 1.091 534 D CA -0.264 53.771 54.000 0.058 0.000 0.840 534 D CB 0.831 41.669 40.800 0.064 0.000 1.060 534 D HN 0.445 nan 8.370 nan 0.000 0.502 535 I N 4.026 124.670 120.570 0.124 0.000 2.281 535 I HA 0.198 4.368 4.170 0.001 0.000 0.293 535 I C 0.376 176.665 176.117 0.287 0.000 1.085 535 I CA -0.327 61.082 61.300 0.182 0.000 1.257 535 I CB 0.488 38.628 38.000 0.233 0.000 1.430 535 I HN 0.306 nan 8.210 nan 0.000 0.489 536 D N 4.144 124.626 120.400 0.136 0.000 2.449 536 D HA 0.593 5.233 4.640 0.001 0.000 0.250 536 D C -0.099 175.940 176.300 -0.435 0.000 1.050 536 D CA -0.195 53.810 54.000 0.008 0.000 1.024 536 D CB 2.585 43.424 40.800 0.065 0.000 1.218 536 D HN 0.520 nan 8.370 nan 0.000 0.566 537 G N -0.406 107.944 108.800 -0.750 0.000 2.453 537 G HA2 0.251 4.211 3.960 0.001 0.000 0.323 537 G HA3 0.251 4.211 3.960 0.001 0.000 0.323 537 G C 0.696 175.497 174.900 -0.165 0.000 1.198 537 G CA -0.517 44.229 45.100 -0.589 0.000 0.959 537 G HN 0.462 nan 8.290 nan 0.000 0.482 538 D N 0.592 120.949 120.400 -0.070 0.000 2.218 538 D HA -0.099 4.541 4.640 0.001 0.000 0.204 538 D C 1.960 178.279 176.300 0.031 0.000 0.976 538 D CA 1.240 55.249 54.000 0.015 0.000 0.853 538 D CB -0.415 40.388 40.800 0.004 0.000 0.939 538 D HN 0.473 nan 8.370 nan 0.000 0.481 539 G N 0.605 109.408 108.800 0.005 0.000 2.404 539 G HA2 -0.200 3.760 3.960 0.001 0.000 0.214 539 G HA3 -0.200 3.760 3.960 0.001 0.000 0.214 539 G C 1.870 176.775 174.900 0.009 0.000 1.189 539 G CA 0.952 46.055 45.100 0.005 0.000 0.789 539 G HN 0.334 nan 8.290 nan 0.000 0.533 540 S N 0.523 116.242 115.700 0.031 0.000 2.345 540 S HA -0.086 4.384 4.470 0.001 0.000 0.220 540 S C 1.923 176.545 174.600 0.037 0.000 1.031 540 S CA 1.073 59.303 58.200 0.049 0.000 0.996 540 S CB -0.469 62.802 63.200 0.118 0.000 0.882 540 S HN 0.335 nan 8.310 nan 0.000 0.445 541 F N 2.064 121.962 119.950 -0.087 0.000 2.115 541 F HA -0.167 4.361 4.527 0.001 0.000 0.300 541 F C 1.949 177.660 175.800 -0.149 0.000 1.092 541 F CA 1.229 59.167 58.000 -0.103 0.000 1.245 541 F CB -0.386 38.553 39.000 -0.101 0.000 0.995 541 F HN 0.158 nan 8.300 nan 0.000 0.481 542 I N -0.391 120.057 120.570 -0.204 0.000 2.546 542 I HA -0.311 3.860 4.170 0.001 0.000 0.255 542 I C 2.149 178.053 176.117 -0.355 0.000 1.163 542 I CA 0.921 61.994 61.300 -0.379 0.000 1.457 542 I CB -0.125 37.746 38.000 -0.216 0.000 1.092 542 I HN 0.208 nan 8.210 nan 0.000 0.434 543 M N 0.072 119.534 119.600 -0.229 0.000 2.106 543 M HA -0.218 4.262 4.480 0.001 0.000 0.259 543 M C 0.513 176.668 176.300 -0.241 0.000 1.068 543 M CA 1.571 56.757 55.300 -0.190 0.000 1.100 543 M CB -0.444 32.091 32.600 -0.108 0.000 1.351 543 M HN 0.212 nan 8.290 nan 0.000 0.404 544 N N 0.118 118.655 118.700 -0.273 0.000 2.541 544 N HA 0.135 4.875 4.740 0.001 0.000 0.297 544 N C 0.643 175.925 175.510 -0.379 0.000 1.503 544 N CA 0.054 52.942 53.050 -0.270 0.000 0.919 544 N CB 1.149 39.542 38.487 -0.157 0.000 1.305 544 N HN 0.054 nan 8.380 nan 0.000 0.501 545 V N 1.356 120.951 119.914 -0.532 0.000 2.759 545 V HA -0.182 3.939 4.120 0.001 0.000 0.256 545 V C 2.431 178.268 176.094 -0.430 0.000 1.080 545 V CA 1.649 63.514 62.300 -0.726 0.000 1.101 545 V CB -0.077 31.157 31.823 -0.981 0.000 0.698 545 V HN 0.412 nan 8.190 nan 0.000 0.477 546 Q N -0.349 119.278 119.800 -0.288 0.000 2.364 546 Q HA -0.212 4.128 4.340 0.001 0.000 0.209 546 Q C 1.425 177.369 176.000 -0.094 0.000 0.977 546 Q CA 1.638 57.352 55.803 -0.149 0.000 0.885 546 Q CB -0.645 28.044 28.738 -0.082 0.000 0.941 546 Q HN 0.615 nan 8.270 nan 0.000 0.464 547 E N 0.891 121.019 120.200 -0.119 0.000 2.516 547 E HA 0.055 4.405 4.350 0.001 0.000 0.199 547 E C 1.943 178.524 176.600 -0.031 0.000 1.069 547 E CA 0.126 56.493 56.400 -0.055 0.000 0.876 547 E CB -0.176 29.486 29.700 -0.062 0.000 0.843 547 E HN 0.454 nan 8.360 nan 0.000 0.530 548 L N -0.005 121.186 121.223 -0.055 0.000 2.156 548 L HA -0.089 4.251 4.340 0.001 0.000 0.208 548 L C 2.357 179.244 176.870 0.028 0.000 1.095 548 L CA 0.888 55.730 54.840 0.004 0.000 0.770 548 L CB -0.416 41.652 42.059 0.015 0.000 0.914 548 L HN 0.070 nan 8.230 nan 0.000 0.439 549 A N -0.212 122.620 122.820 0.020 0.000 1.902 549 A HA -0.189 4.131 4.320 0.001 0.000 0.217 549 A C 2.365 179.976 177.584 0.045 0.000 1.181 549 A CA 2.280 54.338 52.037 0.035 0.000 0.623 549 A CB -0.820 18.201 19.000 0.035 0.000 0.818 549 A HN 0.350 nan 8.150 nan 0.000 0.443 550 T N 0.498 115.082 114.554 0.050 0.000 2.674 550 T HA -0.124 4.227 4.350 0.001 0.000 0.265 550 T C 1.811 176.554 174.700 0.070 0.000 1.039 550 T CA 1.571 63.713 62.100 0.070 0.000 1.150 550 T CB -0.462 68.457 68.868 0.084 0.000 0.864 550 T HN 0.419 nan 8.240 nan 0.000 0.427 551 I N 0.948 121.556 120.570 0.064 0.000 2.194 551 I HA -0.248 3.922 4.170 0.001 0.000 0.246 551 I C 2.786 178.941 176.117 0.064 0.000 1.093 551 I CA 1.326 62.668 61.300 0.069 0.000 1.355 551 I CB -0.319 37.722 38.000 0.069 0.000 1.046 551 I HN 0.111 nan 8.210 nan 0.000 0.413 552 R N 1.305 121.838 120.500 0.056 0.000 2.055 552 R HA -0.082 4.258 4.340 0.001 0.000 0.228 552 R C 2.070 178.398 176.300 0.046 0.000 1.143 552 R CA 1.841 57.971 56.100 0.050 0.000 0.945 552 R CB -1.184 29.143 30.300 0.044 0.000 0.841 552 R HN 0.129 nan 8.270 nan 0.000 0.429 553 V N 1.751 121.691 119.914 0.044 0.000 2.469 553 V HA -0.169 3.951 4.120 0.001 0.000 0.251 553 V C 1.667 177.786 176.094 0.041 0.000 1.064 553 V CA 2.131 64.454 62.300 0.038 0.000 1.066 553 V CB -0.509 31.336 31.823 0.036 0.000 0.667 553 V HN 0.374 nan 8.190 nan 0.000 0.461 554 E N -0.672 119.560 120.200 0.052 0.000 2.489 554 E HA 0.043 4.393 4.350 0.001 0.000 0.193 554 E C 0.384 177.017 176.600 0.054 0.000 1.057 554 E CA -0.204 56.229 56.400 0.055 0.000 0.866 554 E CB -0.347 29.399 29.700 0.076 0.000 0.916 554 E HN 0.582 nan 8.360 nan 0.000 0.500 555 N N 1.079 119.810 118.700 0.052 0.000 2.686 555 N HA -0.207 4.534 4.740 0.001 0.000 0.261 555 N C -0.776 174.768 175.510 0.057 0.000 1.001 555 N CA 0.657 53.737 53.050 0.051 0.000 0.764 555 N CB -1.188 37.324 38.487 0.042 0.000 0.898 555 N HN 0.233 nan 8.380 nan 0.000 0.544 556 L N 1.240 122.502 121.223 0.066 0.000 2.295 556 L HA 0.350 4.691 4.340 0.001 0.000 0.285 556 L C -1.381 175.531 176.870 0.071 0.000 1.035 556 L CA -1.669 53.214 54.840 0.071 0.000 0.806 556 L CB 1.372 43.481 42.059 0.083 0.000 1.214 556 L HN -0.089 nan 8.230 nan 0.000 0.426 557 P HA 0.035 nan 4.420 nan 0.000 0.232 557 P C -0.273 177.071 177.300 0.073 0.000 1.738 557 P CA 0.034 63.176 63.100 0.069 0.000 0.948 557 P CB -0.083 31.651 31.700 0.058 0.000 1.943 558 V N 2.828 122.790 119.914 0.080 0.000 2.498 558 V HA 0.183 4.303 4.120 0.001 0.000 0.279 558 V C 0.778 176.933 176.094 0.100 0.000 1.048 558 V CA -0.140 62.208 62.300 0.079 0.000 0.967 558 V CB 1.163 33.032 31.823 0.076 0.000 0.988 558 V HN 0.164 nan 8.190 nan 0.000 0.473 559 K N 4.059 124.515 120.400 0.092 0.000 2.206 559 K HA 0.575 4.896 4.320 0.001 0.000 0.264 559 K C -0.996 175.660 176.600 0.093 0.000 0.967 559 K CA -0.603 55.752 56.287 0.114 0.000 0.844 559 K CB 2.127 34.676 32.500 0.083 0.000 1.099 559 K HN 0.386 nan 8.250 nan 0.000 0.441 560 V N 3.913 123.884 119.914 0.095 0.000 2.313 560 V HA 0.181 4.302 4.120 0.001 0.000 0.278 560 V C -0.268 175.820 176.094 -0.009 0.000 1.017 560 V CA -0.936 61.380 62.300 0.027 0.000 0.823 560 V CB 1.090 32.896 31.823 -0.029 0.000 1.010 560 V HN 0.525 nan 8.190 nan 0.000 0.443 561 L N 6.844 128.071 121.223 0.007 0.000 2.358 561 L HA 0.464 4.804 4.340 0.001 0.000 0.274 561 L C -0.371 176.478 176.870 -0.036 0.000 1.136 561 L CA -0.108 54.737 54.840 0.009 0.000 0.970 561 L CB 0.596 42.684 42.059 0.047 0.000 1.314 561 L HN 0.608 nan 8.230 nan 0.000 0.427 562 L N 5.421 126.570 121.223 -0.124 0.000 2.315 562 L HA 0.299 4.639 4.340 0.001 0.000 0.283 562 L C -0.508 176.309 176.870 -0.089 0.000 1.089 562 L CA 0.276 55.000 54.840 -0.193 0.000 0.833 562 L CB 0.491 42.321 42.059 -0.382 0.000 1.170 562 L HN 0.465 nan 8.230 nan 0.000 0.442 563 L N 5.789 126.982 121.223 -0.051 0.000 2.397 563 L HA 0.290 4.631 4.340 0.001 0.000 0.263 563 L C 0.274 177.151 176.870 0.013 0.000 1.136 563 L CA -0.313 54.539 54.840 0.020 0.000 1.019 563 L CB -0.296 41.833 42.059 0.117 0.000 1.352 563 L HN 0.629 nan 8.230 nan 0.000 0.420 564 N N 3.434 122.137 118.700 0.006 0.000 2.442 564 N HA 0.010 4.750 4.740 0.001 0.000 0.265 564 N C 0.266 175.831 175.510 0.092 0.000 1.138 564 N CA 0.112 53.178 53.050 0.027 0.000 0.956 564 N CB 0.738 39.231 38.487 0.010 0.000 1.067 564 N HN 0.530 nan 8.380 nan 0.000 0.474 565 N N 2.875 121.658 118.700 0.138 0.000 2.305 565 N HA 0.004 4.745 4.740 0.001 0.000 0.248 565 N C -0.421 175.281 175.510 0.320 0.000 1.290 565 N CA -0.111 53.077 53.050 0.229 0.000 0.873 565 N CB 0.270 38.919 38.487 0.270 0.000 1.261 565 N HN 0.328 nan 8.380 nan 0.000 0.504 566 Q N -0.708 119.207 119.800 0.192 0.000 2.315 566 Q HA -0.244 4.097 4.340 0.001 0.000 0.221 566 Q C -0.759 175.214 176.000 -0.044 0.000 0.780 566 Q CA 1.722 57.578 55.803 0.088 0.000 1.357 566 Q CB -1.975 26.881 28.738 0.198 0.000 1.766 566 Q HN 0.764 nan 8.270 nan 0.000 0.613 567 H N -1.827 117.291 119.070 0.081 0.000 2.906 567 H HA 0.602 5.159 4.556 0.001 0.000 0.337 567 H C 0.085 175.467 175.328 0.091 0.000 1.257 567 H CA -0.858 55.256 56.048 0.110 0.000 1.192 567 H CB 0.758 30.625 29.762 0.175 0.000 1.912 567 H HN -0.036 nan 8.280 nan 0.000 0.573 568 L N 2.159 123.526 121.223 0.240 0.000 2.512 568 L HA 0.221 4.561 4.340 0.001 0.000 0.247 568 L C 1.487 178.467 176.870 0.184 0.000 1.204 568 L CA -0.254 54.679 54.840 0.156 0.000 1.153 568 L CB -0.089 42.036 42.059 0.110 0.000 1.415 568 L HN 0.966 nan 8.230 nan 0.000 0.406 569 G N 1.694 110.615 108.800 0.202 0.000 2.808 569 G HA2 -0.439 3.521 3.960 0.001 0.000 0.225 569 G HA3 -0.439 3.521 3.960 0.001 0.000 0.225 569 G C 1.332 176.312 174.900 0.133 0.000 1.210 569 G CA 1.379 46.591 45.100 0.187 0.000 0.777 569 G HN 0.506 nan 8.290 nan 0.000 0.640 570 M N 0.342 119.986 119.600 0.074 0.000 2.108 570 M HA -0.044 4.436 4.480 0.001 0.000 0.261 570 M C 2.587 178.955 176.300 0.114 0.000 1.066 570 M CA 1.351 56.688 55.300 0.061 0.000 1.107 570 M CB -0.525 32.066 32.600 -0.014 0.000 1.356 570 M HN 0.089 nan 8.290 nan 0.000 0.406 571 V N -0.180 119.780 119.914 0.077 0.000 2.427 571 V HA -0.275 3.845 4.120 0.001 0.000 0.248 571 V C 2.537 178.749 176.094 0.197 0.000 1.051 571 V CA 1.917 64.270 62.300 0.089 0.000 1.048 571 V CB -0.875 30.979 31.823 0.052 0.000 0.666 571 V HN 0.616 nan 8.190 nan 0.000 0.456 572 M N 0.001 119.717 119.600 0.195 0.000 2.117 572 M HA -0.272 4.209 4.480 0.001 0.000 0.262 572 M C 2.341 178.768 176.300 0.212 0.000 1.065 572 M CA 2.172 57.601 55.300 0.216 0.000 1.114 572 M CB -0.382 32.358 32.600 0.234 0.000 1.361 572 M HN 0.452 nan 8.290 nan 0.000 0.408 573 Q N -0.769 119.129 119.800 0.164 0.000 2.135 573 Q HA -0.233 4.107 4.340 0.001 0.000 0.204 573 Q C 1.638 177.648 176.000 0.015 0.000 0.981 573 Q CA 2.138 57.896 55.803 -0.075 0.000 0.856 573 Q CB -0.224 28.381 28.738 -0.222 0.000 0.902 573 Q HN 0.658 nan 8.270 nan 0.000 0.425 574 W N 1.069 122.385 121.300 0.027 0.000 2.436 574 W HA -0.030 4.631 4.660 0.001 0.000 0.284 574 W C 1.894 178.572 176.519 0.265 0.000 1.225 574 W CA 1.002 58.463 57.345 0.193 0.000 1.271 574 W CB -0.031 29.622 29.460 0.323 0.000 1.114 574 W HN 0.284 nan 8.180 nan 0.000 0.559 575 E N -0.098 120.338 120.200 0.392 0.000 2.072 575 E HA -0.197 4.153 4.350 0.001 0.000 0.191 575 E C 1.641 178.392 176.600 0.251 0.000 0.985 575 E CA 1.476 58.086 56.400 0.351 0.000 0.801 575 E CB -0.314 29.508 29.700 0.203 0.000 0.750 575 E HN 0.154 nan 8.360 nan 0.000 0.452 576 D N 0.582 121.075 120.400 0.155 0.000 2.104 576 D HA -0.141 4.499 4.640 0.001 0.000 0.194 576 D C 1.928 178.198 176.300 -0.051 0.000 0.994 576 D CA 1.155 55.215 54.000 0.099 0.000 0.830 576 D CB -0.169 40.769 40.800 0.230 0.000 0.959 576 D HN 0.095 nan 8.370 nan 0.000 0.452 577 R N -0.931 119.390 120.500 -0.297 0.000 2.200 577 R HA 0.043 4.384 4.340 0.001 0.000 0.208 577 R C 1.041 176.795 176.300 -0.910 0.000 1.033 577 R CA 0.536 56.201 56.100 -0.726 0.000 1.000 577 R CB 0.146 29.711 30.300 -1.226 0.000 0.906 577 R HN 0.214 nan 8.270 nan 0.000 0.462 578 F N -2.848 117.089 119.950 -0.022 0.000 2.817 578 F HA 0.234 4.761 4.527 0.001 0.000 0.333 578 F C 0.083 175.612 175.800 -0.450 0.000 1.085 578 F CA -0.527 57.347 58.000 -0.210 0.000 1.170 578 F CB 0.566 39.427 39.000 -0.231 0.000 1.066 578 F HN -0.141 nan 8.300 nan 0.000 0.564 579 Y N 0.134 120.520 120.300 0.144 0.000 2.696 579 Y HA 0.303 4.853 4.550 0.001 0.000 0.255 579 Y C 0.296 176.239 175.900 0.070 0.000 1.103 579 Y CA -1.502 56.670 58.100 0.121 0.000 1.126 579 Y CB -0.090 38.455 38.460 0.142 0.000 1.197 579 Y HN -0.107 nan 8.280 nan 0.000 0.574 580 K N 0.637 121.105 120.400 0.113 0.000 3.071 580 K HA -0.250 4.070 4.320 0.001 0.000 0.262 580 K C 0.800 177.454 176.600 0.091 0.000 0.977 580 K CA 0.575 56.906 56.287 0.074 0.000 0.721 580 K CB -1.505 31.032 32.500 0.061 0.000 1.293 580 K HN 0.638 nan 8.250 nan 0.000 0.475 581 A N -0.323 122.566 122.820 0.115 0.000 2.799 581 A HA -0.279 4.041 4.320 0.001 0.000 0.287 581 A C 0.152 177.800 177.584 0.107 0.000 1.484 581 A CA 1.301 53.405 52.037 0.111 0.000 0.813 581 A CB -1.584 17.459 19.000 0.072 0.000 1.009 581 A HN 0.689 nan 8.150 nan 0.000 0.545 582 N N 0.839 119.617 118.700 0.129 0.000 2.448 582 N HA 0.240 4.980 4.740 0.001 0.000 0.250 582 N C 0.278 175.823 175.510 0.057 0.000 1.136 582 N CA -0.330 52.773 53.050 0.089 0.000 0.953 582 N CB 0.260 38.811 38.487 0.106 0.000 1.251 582 N HN 0.331 nan 8.380 nan 0.000 0.502 583 R N 2.286 122.814 120.500 0.046 0.000 2.502 583 R HA 0.146 4.487 4.340 0.001 0.000 0.292 583 R C -0.493 175.763 176.300 -0.073 0.000 0.998 583 R CA 0.003 56.123 56.100 0.033 0.000 1.056 583 R CB 0.111 30.452 30.300 0.068 0.000 0.939 583 R HN 0.567 nan 8.270 nan 0.000 0.411 584 A N 4.513 127.262 122.820 -0.119 0.000 2.709 584 A HA 0.312 4.633 4.320 0.001 0.000 0.332 584 A C -0.276 177.107 177.584 -0.335 0.000 1.241 584 A CA -0.665 51.151 52.037 -0.369 0.000 0.782 584 A CB -0.026 18.837 19.000 -0.228 0.000 1.109 584 A HN 0.899 nan 8.150 nan 0.000 0.472 585 H N 0.995 120.104 119.070 0.066 0.000 2.899 585 H HA -0.173 4.383 4.556 0.001 0.000 0.282 585 H C 0.985 176.357 175.328 0.074 0.000 1.198 585 H CA 1.512 57.598 56.048 0.064 0.000 1.140 585 H CB -2.354 27.428 29.762 0.034 0.000 1.317 585 H HN 0.841 nan 8.280 nan 0.000 0.375 586 T N -3.416 111.232 114.554 0.156 0.000 3.069 586 T HA 0.194 4.544 4.350 0.001 0.000 0.252 586 T C 0.328 175.133 174.700 0.174 0.000 1.053 586 T CA -0.304 61.902 62.100 0.176 0.000 0.964 586 T CB 0.095 69.087 68.868 0.207 0.000 1.005 586 T HN 0.200 nan 8.240 nan 0.000 0.532 587 F N 2.356 122.266 119.950 -0.066 0.000 2.405 587 F HA 0.541 5.068 4.527 0.001 0.000 0.355 587 F C 0.515 176.214 175.800 -0.169 0.000 1.121 587 F CA -2.238 55.568 58.000 -0.323 0.000 1.112 587 F CB 0.796 39.627 39.000 -0.280 0.000 1.126 587 F HN -0.087 nan 8.300 nan 0.000 0.481 588 L N 5.574 126.326 121.223 -0.785 0.000 2.592 588 L HA 0.269 4.610 4.340 0.001 0.000 0.227 588 L C 1.466 177.932 176.870 -0.673 0.000 1.127 588 L CA 0.121 54.634 54.840 -0.545 0.000 0.884 588 L CB -0.717 41.182 42.059 -0.267 0.000 1.065 588 L HN 0.758 nan 8.230 nan 0.000 0.457 589 G N -0.865 106.984 108.800 -1.584 0.000 2.535 589 G HA2 0.071 4.031 3.960 0.001 0.000 0.282 589 G HA3 0.071 4.031 3.960 0.001 0.000 0.282 589 G C -1.043 173.642 174.900 -0.357 0.000 1.350 589 G CA -0.288 44.351 45.100 -0.767 0.000 1.039 589 G HN -0.017 nan 8.290 nan 0.000 0.509 590 D N -0.654 119.721 120.400 -0.043 0.000 2.359 590 D HA 0.344 4.984 4.640 0.001 0.000 0.230 590 D C -1.508 174.869 176.300 0.129 0.000 1.118 590 D CA -2.174 51.729 54.000 -0.161 0.000 0.844 590 D CB 1.699 42.164 40.800 -0.559 0.000 1.059 590 D HN -0.122 nan 8.370 nan 0.000 0.493 591 P HA -0.089 nan 4.420 nan 0.000 0.221 591 P C 0.854 178.178 177.300 0.041 0.000 1.145 591 P CA 0.926 64.121 63.100 0.159 0.000 0.795 591 P CB 0.285 32.058 31.700 0.122 0.000 0.775 592 A N -0.162 122.655 122.820 -0.006 0.000 2.015 592 A HA -0.151 4.170 4.320 0.001 0.000 0.219 592 A C 1.215 178.788 177.584 -0.018 0.000 1.163 592 A CA 1.091 53.111 52.037 -0.027 0.000 0.646 592 A CB -0.655 18.308 19.000 -0.062 0.000 0.806 592 A HN 0.373 nan 8.150 nan 0.000 0.448 593 Q N -2.041 117.755 119.800 -0.005 0.000 3.048 593 Q HA 0.480 4.820 4.340 0.001 0.000 0.337 593 Q C 0.310 176.348 176.000 0.063 0.000 0.845 593 Q CA 0.357 56.169 55.803 0.015 0.000 0.942 593 Q CB -0.290 28.448 28.738 -0.000 0.000 1.454 593 Q HN 0.383 nan 8.270 nan 0.000 0.392 594 E N 1.439 121.675 120.200 0.059 0.000 2.352 594 E HA -0.245 4.106 4.350 0.001 0.000 0.203 594 E C 0.950 177.609 176.600 0.099 0.000 1.024 594 E CA 2.039 58.481 56.400 0.070 0.000 0.842 594 E CB -0.482 29.187 29.700 -0.052 0.000 0.753 594 E HN 0.550 nan 8.360 nan 0.000 0.508 595 D N -0.428 120.020 120.400 0.079 0.000 2.379 595 D HA 0.046 4.686 4.640 0.001 0.000 0.208 595 D C 0.021 176.380 176.300 0.098 0.000 1.065 595 D CA -0.012 54.038 54.000 0.083 0.000 0.848 595 D CB 0.344 41.176 40.800 0.054 0.000 0.949 595 D HN 0.380 nan 8.370 nan 0.000 0.509 596 E N 0.880 121.144 120.200 0.107 0.000 2.283 596 E HA 0.247 4.597 4.350 0.001 0.000 0.278 596 E C 0.470 177.162 176.600 0.153 0.000 1.027 596 E CA -0.408 56.059 56.400 0.110 0.000 0.843 596 E CB 1.942 31.698 29.700 0.094 0.000 1.062 596 E HN 0.139 nan 8.360 nan 0.000 0.401 597 I N 3.613 124.261 120.570 0.130 0.000 2.505 597 I HA 0.031 4.202 4.170 0.001 0.000 0.287 597 I C -0.116 176.098 176.117 0.163 0.000 1.104 597 I CA 0.141 61.517 61.300 0.127 0.000 1.387 597 I CB -0.048 37.998 38.000 0.078 0.000 1.404 597 I HN 0.275 nan 8.210 nan 0.000 0.528 598 F N 9.581 129.526 119.950 -0.009 0.000 2.547 598 F HA 0.599 5.127 4.527 0.001 0.000 0.316 598 F C -2.608 173.165 175.800 -0.045 0.000 1.121 598 F CA -2.356 55.625 58.000 -0.032 0.000 0.911 598 F CB 1.775 40.748 39.000 -0.046 0.000 1.179 598 F HN 0.212 nan 8.300 nan 0.000 0.443 599 P HA 0.155 nan 4.420 nan 0.000 0.293 599 P C -1.171 175.928 177.300 -0.334 0.000 1.304 599 P CA -0.491 61.976 63.100 -1.055 0.000 0.767 599 P CB 0.541 31.726 31.700 -0.859 0.000 1.247 600 N N 1.327 119.856 118.700 -0.285 0.000 2.719 600 N HA 0.062 4.802 4.740 0.001 0.000 0.243 600 N C 0.831 176.243 175.510 -0.163 0.000 1.104 600 N CA 0.033 52.989 53.050 -0.157 0.000 0.981 600 N CB -0.210 38.198 38.487 -0.133 0.000 1.290 600 N HN 0.196 nan 8.380 nan 0.000 0.513 601 M N 2.096 121.695 119.600 -0.001 0.000 2.260 601 M HA -0.173 4.307 4.480 0.001 0.000 0.261 601 M C 1.577 177.950 176.300 0.122 0.000 1.066 601 M CA 1.049 56.472 55.300 0.205 0.000 1.082 601 M CB -0.730 31.962 32.600 0.155 0.000 1.388 601 M HN 0.482 nan 8.290 nan 0.000 0.419 602 L N -0.733 120.489 121.223 -0.001 0.000 2.083 602 L HA -0.204 4.136 4.340 0.001 0.000 0.209 602 L C 2.342 179.192 176.870 -0.034 0.000 1.083 602 L CA 0.926 55.752 54.840 -0.023 0.000 0.752 602 L CB -0.692 41.341 42.059 -0.044 0.000 0.899 602 L HN 0.259 nan 8.230 nan 0.000 0.433 603 L N -1.653 119.505 121.223 -0.108 0.000 2.291 603 L HA -0.157 4.183 4.340 0.001 0.000 0.214 603 L C 2.393 179.194 176.870 -0.116 0.000 1.120 603 L CA 1.036 55.788 54.840 -0.146 0.000 0.799 603 L CB -0.374 41.545 42.059 -0.234 0.000 0.925 603 L HN 0.159 nan 8.230 nan 0.000 0.446 604 F N -0.079 119.874 119.950 0.005 0.000 2.113 604 F HA -0.220 4.307 4.527 0.001 0.000 0.297 604 F C 2.659 178.474 175.800 0.024 0.000 1.103 604 F CA 0.875 58.884 58.000 0.016 0.000 1.248 604 F CB -0.293 38.737 39.000 0.050 0.000 0.999 604 F HN 0.040 nan 8.300 nan 0.000 0.475 605 A N 0.203 123.160 122.820 0.229 0.000 1.908 605 A HA -0.179 4.141 4.320 0.001 0.000 0.218 605 A C 2.342 179.960 177.584 0.057 0.000 1.181 605 A CA 1.812 53.921 52.037 0.120 0.000 0.627 605 A CB -1.308 17.721 19.000 0.048 0.000 0.818 605 A HN 0.344 nan 8.150 nan 0.000 0.445 606 A N -0.089 122.747 122.820 0.027 0.000 1.908 606 A HA 0.098 4.419 4.320 0.001 0.000 0.218 606 A C 2.516 180.113 177.584 0.021 0.000 1.181 606 A CA 2.285 54.325 52.037 0.004 0.000 0.627 606 A CB -1.109 17.881 19.000 -0.018 0.000 0.818 606 A HN 1.182 nan 8.150 nan 0.000 0.445 607 A N -1.416 121.428 122.820 0.040 0.000 1.978 607 A HA -0.177 4.144 4.320 0.001 0.000 0.220 607 A C 1.865 179.480 177.584 0.052 0.000 1.170 607 A CA 1.706 53.772 52.037 0.049 0.000 0.636 607 A CB -0.980 18.069 19.000 0.082 0.000 0.810 607 A HN 0.648 nan 8.150 nan 0.000 0.448 608 C N -0.761 118.576 119.300 0.061 0.000 2.688 608 C HA 0.506 4.967 4.460 0.001 0.000 0.297 608 C C 1.687 176.700 174.990 0.038 0.000 1.308 608 C CA -0.350 58.699 59.018 0.051 0.000 1.726 608 C CB -1.292 26.483 27.740 0.059 0.000 1.982 608 C HN 1.044 nan 8.230 nan 0.000 0.604 609 G N 1.906 110.723 108.800 0.029 0.000 2.305 609 G HA2 -0.271 3.689 3.960 0.001 0.000 0.287 609 G HA3 -0.271 3.689 3.960 0.001 0.000 0.287 609 G C -0.201 174.707 174.900 0.014 0.000 1.036 609 G CA 0.085 45.196 45.100 0.018 0.000 0.887 609 G HN 0.658 nan 8.290 nan 0.000 0.505 610 I N 1.922 122.496 120.570 0.006 0.000 2.354 610 I HA 0.266 4.436 4.170 0.001 0.000 0.286 610 I C -1.664 174.402 176.117 -0.085 0.000 1.007 610 I CA -2.495 58.797 61.300 -0.013 0.000 1.167 610 I CB 1.808 39.816 38.000 0.015 0.000 1.320 610 I HN -0.064 nan 8.210 nan 0.000 0.458 611 P HA 0.073 nan 4.420 nan 0.000 0.263 611 P C -0.777 176.190 177.300 -0.556 0.000 1.175 611 P CA 0.157 63.119 63.100 -0.231 0.000 0.761 611 P CB 1.029 32.656 31.700 -0.122 0.000 0.794 612 A N 1.977 124.509 122.820 -0.480 0.000 2.594 612 A HA 0.854 5.174 4.320 0.001 0.000 0.291 612 A C -1.326 176.089 177.584 -0.280 0.000 1.105 612 A CA -0.258 51.468 52.037 -0.519 0.000 0.694 612 A CB 1.905 20.759 19.000 -0.242 0.000 1.291 612 A HN 0.668 nan 8.150 nan 0.000 0.410 613 A N 0.176 122.914 122.820 -0.137 0.000 2.609 613 A HA 0.892 5.212 4.320 0.001 0.000 0.291 613 A C -0.703 176.906 177.584 0.041 0.000 1.096 613 A CA -0.528 51.524 52.037 0.024 0.000 0.684 613 A CB 1.389 20.489 19.000 0.167 0.000 1.282 613 A HN 1.276 nan 8.150 nan 0.000 0.412 614 R N -0.322 120.202 120.500 0.040 0.000 2.740 614 R HA 0.773 5.113 4.340 0.001 0.000 0.282 614 R C -1.527 174.799 176.300 0.042 0.000 0.969 614 R CA -0.368 55.751 56.100 0.033 0.000 0.918 614 R CB 2.080 32.391 30.300 0.019 0.000 1.175 614 R HN 1.270 nan 8.270 nan 0.000 0.464 615 V N 0.417 120.354 119.914 0.039 0.000 2.686 615 V HA 0.547 4.667 4.120 0.001 0.000 0.306 615 V C -0.431 175.685 176.094 0.037 0.000 1.065 615 V CA -0.548 61.776 62.300 0.040 0.000 0.894 615 V CB 1.844 33.693 31.823 0.043 0.000 1.004 615 V HN 0.917 nan 8.190 nan 0.000 0.424 616 T N 1.659 116.235 114.554 0.036 0.000 2.964 616 T HA 0.256 4.606 4.350 0.001 0.000 0.250 616 T C 0.537 175.258 174.700 0.034 0.000 0.982 616 T CA 0.186 62.308 62.100 0.036 0.000 0.959 616 T CB 0.190 69.080 68.868 0.036 0.000 1.141 616 T HN 0.664 nan 8.240 nan 0.000 0.494 617 K N 2.226 122.646 120.400 0.033 0.000 2.211 617 K HA 0.347 4.668 4.320 0.001 0.000 0.275 617 K C 0.989 177.610 176.600 0.035 0.000 1.024 617 K CA -0.335 55.969 56.287 0.029 0.000 0.887 617 K CB 1.747 34.262 32.500 0.025 0.000 1.084 617 K HN 0.004 nan 8.250 nan 0.000 0.463 618 K N 2.865 123.282 120.400 0.028 0.000 2.113 618 K HA -0.263 4.057 4.320 0.001 0.000 0.208 618 K C 1.761 178.395 176.600 0.056 0.000 1.047 618 K CA 1.787 58.097 56.287 0.038 0.000 0.928 618 K CB -0.080 32.406 32.500 -0.024 0.000 0.716 618 K HN 0.742 nan 8.250 nan 0.000 0.446 619 A N 2.089 124.927 122.820 0.030 0.000 1.869 619 A HA -0.218 4.102 4.320 0.001 0.000 0.218 619 A C 1.140 178.752 177.584 0.048 0.000 1.203 619 A CA 2.279 54.336 52.037 0.033 0.000 0.638 619 A CB -0.785 18.226 19.000 0.018 0.000 0.831 619 A HN 0.704 nan 8.150 nan 0.000 0.450 620 D N -0.916 119.510 120.400 0.042 0.000 2.690 620 D HA 0.272 4.912 4.640 0.001 0.000 0.236 620 D C 0.721 177.048 176.300 0.044 0.000 1.218 620 D CA -0.261 53.763 54.000 0.039 0.000 0.829 620 D CB 0.087 40.906 40.800 0.032 0.000 1.009 620 D HN 0.304 nan 8.370 nan 0.000 0.482 621 L N 0.134 121.395 121.223 0.062 0.000 2.145 621 L HA 0.185 4.525 4.340 0.001 0.000 0.201 621 L C 2.236 179.125 176.870 0.032 0.000 1.075 621 L CA 1.043 55.918 54.840 0.059 0.000 0.773 621 L CB -0.239 41.881 42.059 0.103 0.000 0.936 621 L HN 0.017 nan 8.230 nan 0.000 0.451 622 R N -0.267 120.256 120.500 0.037 0.000 2.103 622 R HA -0.244 4.096 4.340 0.001 0.000 0.242 622 R C 2.234 178.528 176.300 -0.010 0.000 1.142 622 R CA 2.117 58.217 56.100 0.000 0.000 0.960 622 R CB -0.379 29.929 30.300 0.013 0.000 0.858 622 R HN 0.579 nan 8.270 nan 0.000 0.439 623 E N -0.400 119.802 120.200 0.002 0.000 2.106 623 E HA -0.158 4.192 4.350 0.001 0.000 0.192 623 E C 1.827 178.415 176.600 -0.019 0.000 0.984 623 E CA 0.943 57.338 56.400 -0.007 0.000 0.806 623 E CB -0.062 29.641 29.700 0.005 0.000 0.750 623 E HN 0.512 nan 8.360 nan 0.000 0.458 624 A N 1.292 124.109 122.820 -0.004 0.000 1.865 624 A HA -0.196 4.124 4.320 0.001 0.000 0.217 624 A C 2.144 179.699 177.584 -0.049 0.000 1.191 624 A CA 1.425 53.461 52.037 -0.001 0.000 0.623 624 A CB -0.708 18.310 19.000 0.030 0.000 0.826 624 A HN 0.293 nan 8.150 nan 0.000 0.444 625 I N -0.819 119.726 120.570 -0.042 0.000 2.226 625 I HA -0.283 3.887 4.170 0.001 0.000 0.245 625 I C 2.772 178.828 176.117 -0.101 0.000 1.100 625 I CA 1.817 63.079 61.300 -0.063 0.000 1.374 625 I CB -0.342 37.631 38.000 -0.045 0.000 1.057 625 I HN 0.421 nan 8.210 nan 0.000 0.413 626 Q N 0.909 120.660 119.800 -0.082 0.000 2.124 626 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 626 Q C 2.058 177.982 176.000 -0.127 0.000 0.977 626 Q CA 2.368 58.121 55.803 -0.083 0.000 0.850 626 Q CB -0.426 28.280 28.738 -0.054 0.000 0.901 626 Q HN 0.408 nan 8.270 nan 0.000 0.429 627 T N 0.654 115.115 114.554 -0.155 0.000 2.674 627 T HA -0.185 4.166 4.350 0.001 0.000 0.265 627 T C 1.672 176.097 174.700 -0.459 0.000 1.039 627 T CA 1.521 63.491 62.100 -0.217 0.000 1.150 627 T CB -0.394 68.380 68.868 -0.157 0.000 0.864 627 T HN 0.466 nan 8.240 nan 0.000 0.427 628 M N 0.779 119.959 119.600 -0.700 0.000 2.089 628 M HA -0.152 4.328 4.480 0.001 0.000 0.257 628 M C 2.003 178.013 176.300 -0.484 0.000 1.071 628 M CA 1.843 56.484 55.300 -1.098 0.000 1.096 628 M CB -0.424 31.844 32.600 -0.554 0.000 1.330 628 M HN 0.223 nan 8.290 nan 0.000 0.403 629 L N -0.173 120.898 121.223 -0.253 0.000 2.017 629 L HA -0.242 4.098 4.340 0.001 0.000 0.208 629 L C 2.160 178.972 176.870 -0.098 0.000 1.073 629 L CA 1.384 56.150 54.840 -0.122 0.000 0.745 629 L CB -1.099 40.916 42.059 -0.073 0.000 0.894 629 L HN 0.352 nan 8.230 nan 0.000 0.432 630 D N -0.652 119.681 120.400 -0.111 0.000 2.178 630 D HA -0.074 4.566 4.640 0.001 0.000 0.202 630 D C 0.811 177.084 176.300 -0.046 0.000 0.974 630 D CA 0.813 54.774 54.000 -0.065 0.000 0.841 630 D CB -0.238 40.528 40.800 -0.057 0.000 0.953 630 D HN 0.252 nan 8.370 nan 0.000 0.478 631 T N 3.794 118.303 114.554 -0.076 0.000 2.793 631 T HA 0.154 4.505 4.350 0.001 0.000 0.289 631 T C -2.319 172.410 174.700 0.049 0.000 0.956 631 T CA -1.043 61.063 62.100 0.010 0.000 1.177 631 T CB 0.964 69.879 68.868 0.079 0.000 0.897 631 T HN -0.054 nan 8.240 nan 0.000 0.533 632 P HA 0.289 nan 4.420 nan 0.000 0.265 632 P C 0.930 178.278 177.300 0.080 0.000 1.187 632 P CA 0.909 64.042 63.100 0.055 0.000 0.766 632 P CB 0.251 31.979 31.700 0.046 0.000 0.820 633 G N 3.292 112.136 108.800 0.074 0.000 2.593 633 G HA2 -0.147 3.814 3.960 0.001 0.000 0.237 633 G HA3 -0.147 3.814 3.960 0.001 0.000 0.237 633 G C -2.788 172.180 174.900 0.113 0.000 1.312 633 G CA -0.927 44.224 45.100 0.084 0.000 0.896 633 G HN 0.419 nan 8.290 nan 0.000 0.574 634 P HA 0.482 nan 4.420 nan 0.000 0.269 634 P C -0.825 176.585 177.300 0.185 0.000 1.209 634 P CA 0.490 63.663 63.100 0.122 0.000 0.776 634 P CB 0.416 32.167 31.700 0.084 0.000 0.876 635 Y N 1.970 122.294 120.300 0.040 0.000 2.424 635 Y HA 0.451 5.001 4.550 0.001 0.000 0.323 635 Y C -1.877 174.035 175.900 0.020 0.000 1.174 635 Y CA -1.131 56.987 58.100 0.030 0.000 1.060 635 Y CB 1.264 39.737 38.460 0.022 0.000 1.314 635 Y HN 0.194 nan 8.280 nan 0.000 0.439 636 L N 7.111 128.228 121.223 -0.176 0.000 2.319 636 L HA 0.654 4.994 4.340 0.001 0.000 0.281 636 L C -2.133 174.728 176.870 -0.014 0.000 1.005 636 L CA -0.735 54.069 54.840 -0.060 0.000 0.828 636 L CB 1.321 43.317 42.059 -0.105 0.000 1.227 636 L HN 0.604 nan 8.230 nan 0.000 0.415 637 L N 4.821 126.111 121.223 0.112 0.000 2.295 637 L HA 0.482 4.822 4.340 0.001 0.000 0.281 637 L C -0.809 176.064 176.870 0.005 0.000 1.018 637 L CA -0.126 54.793 54.840 0.132 0.000 0.841 637 L CB 0.983 43.149 42.059 0.178 0.000 1.218 637 L HN 0.658 nan 8.230 nan 0.000 0.424 638 D N 3.814 124.204 120.400 -0.016 0.000 2.374 638 D HA 0.213 4.853 4.640 0.001 0.000 0.240 638 D C -0.747 175.549 176.300 -0.006 0.000 1.229 638 D CA 0.077 54.051 54.000 -0.044 0.000 0.895 638 D CB 0.692 41.468 40.800 -0.041 0.000 1.046 638 D HN 0.270 nan 8.370 nan 0.000 0.498 639 V N 5.638 125.547 119.914 -0.008 0.000 2.383 639 V HA 0.243 4.363 4.120 0.001 0.000 0.275 639 V C 0.309 176.415 176.094 0.021 0.000 1.036 639 V CA -0.829 61.480 62.300 0.013 0.000 0.889 639 V CB 1.117 32.949 31.823 0.014 0.000 0.985 639 V HN 0.424 nan 8.190 nan 0.000 0.459 640 I N 4.439 125.028 120.570 0.032 0.000 2.365 640 I HA 0.460 4.631 4.170 0.001 0.000 0.291 640 I C 0.125 176.271 176.117 0.048 0.000 1.004 640 I CA -0.041 61.288 61.300 0.047 0.000 1.311 640 I CB 0.963 38.994 38.000 0.053 0.000 1.401 640 I HN 0.582 nan 8.210 nan 0.000 0.491 641 C N 6.558 125.897 119.300 0.065 0.000 2.889 641 C HA 0.569 5.029 4.460 0.001 0.000 0.307 641 C C -2.282 172.754 174.990 0.076 0.000 1.251 641 C CA -1.233 57.813 59.018 0.047 0.000 1.593 641 C CB 2.170 29.929 27.740 0.032 0.000 2.104 641 C HN 0.592 nan 8.230 nan 0.000 0.476 642 P HA 0.146 nan 4.420 nan 0.000 0.276 642 P C 0.317 177.636 177.300 0.032 0.000 1.230 642 P CA 0.383 63.485 63.100 0.004 0.000 0.776 642 P CB 0.431 32.050 31.700 -0.134 0.000 0.888 643 H N 3.488 122.554 119.070 -0.008 0.000 2.502 643 H HA -0.055 4.501 4.556 0.001 0.000 0.283 643 H C 0.971 176.283 175.328 -0.027 0.000 1.015 643 H CA 0.672 56.713 56.048 -0.011 0.000 1.298 643 H CB -0.293 29.380 29.762 -0.148 0.000 1.411 643 H HN 0.366 nan 8.280 nan 0.000 0.556 644 Q N 1.421 120.891 119.800 -0.549 0.000 2.557 644 Q HA 0.007 4.348 4.340 0.001 0.000 0.217 644 Q C -0.111 175.781 176.000 -0.180 0.000 0.978 644 Q CA 0.305 55.865 55.803 -0.404 0.000 0.950 644 Q CB -0.093 28.341 28.738 -0.508 0.000 0.991 644 Q HN 0.468 nan 8.270 nan 0.000 0.533 645 E N 1.509 121.708 120.200 -0.003 0.000 2.404 645 E HA 0.163 4.514 4.350 0.001 0.000 0.261 645 E C -0.531 176.373 176.600 0.507 0.000 1.074 645 E CA 0.170 56.667 56.400 0.163 0.000 0.917 645 E CB 0.614 30.393 29.700 0.131 0.000 0.965 645 E HN 0.318 nan 8.360 nan 0.000 0.433 646 H N -0.512 118.767 119.070 0.348 0.000 2.717 646 H HA 0.318 4.874 4.556 0.001 0.000 0.366 646 H C -0.655 174.972 175.328 0.500 0.000 1.132 646 H CA -1.016 55.240 56.048 0.346 0.000 1.180 646 H CB 1.832 31.708 29.762 0.190 0.000 1.678 646 H HN 0.135 nan 8.280 nan 0.000 0.537 647 V N 4.951 125.099 119.914 0.389 0.000 2.555 647 V HA 0.193 4.314 4.120 0.001 0.000 0.286 647 V C 0.080 176.381 176.094 0.345 0.000 1.044 647 V CA 0.105 62.571 62.300 0.276 0.000 1.026 647 V CB 0.604 32.188 31.823 -0.400 0.000 0.981 647 V HN 0.426 nan 8.190 nan 0.000 0.480 648 L N 6.215 127.690 121.223 0.420 0.000 2.465 648 L HA 0.561 4.901 4.340 0.001 0.000 0.257 648 L C -2.333 174.738 176.870 0.335 0.000 0.988 648 L CA -1.682 53.376 54.840 0.363 0.000 0.827 648 L CB 3.030 45.281 42.059 0.321 0.000 1.397 648 L HN 0.426 nan 8.230 nan 0.000 0.410 649 P HA 0.218 nan 4.420 nan 0.000 0.293 649 P C -1.263 176.178 177.300 0.234 0.000 1.298 649 P CA -0.438 62.794 63.100 0.221 0.000 0.757 649 P CB 1.204 33.002 31.700 0.163 0.000 1.262 650 M N 0.158 119.832 119.600 0.123 0.000 2.265 650 M HA 0.351 4.832 4.480 0.001 0.000 0.262 650 M C -1.814 174.469 176.300 -0.028 0.000 1.026 650 M CA -0.465 54.844 55.300 0.015 0.000 0.987 650 M CB 1.040 33.684 32.600 0.074 0.000 1.937 650 M HN 0.111 nan 8.290 nan 0.000 0.481 651 I N 7.794 128.322 120.570 -0.070 0.000 2.306 651 I HA 0.378 4.548 4.170 0.001 0.000 0.288 651 I C -1.849 174.244 176.117 -0.041 0.000 1.036 651 I CA -1.775 59.508 61.300 -0.028 0.000 1.221 651 I CB 1.044 39.051 38.000 0.011 0.000 1.385 651 I HN 0.444 nan 8.210 nan 0.000 0.472 652 P HA -0.096 nan 4.420 nan 0.000 0.267 652 P C 0.091 177.375 177.300 -0.027 0.000 1.195 652 P CA 0.005 63.067 63.100 -0.064 0.000 0.773 652 P CB 0.620 32.265 31.700 -0.092 0.000 0.837 653 S N 1.362 117.079 115.700 0.029 0.000 2.737 653 S HA 0.226 4.696 4.470 0.001 0.000 0.315 653 S C 1.497 176.105 174.600 0.013 0.000 1.236 653 S CA 1.130 59.377 58.200 0.078 0.000 1.093 653 S CB -1.679 61.640 63.200 0.197 0.000 0.832 653 S HN 0.914 nan 8.310 nan 0.000 0.507 654 G N 3.321 112.128 108.800 0.011 0.000 2.136 654 G HA2 -0.170 3.790 3.960 0.001 0.000 0.242 654 G HA3 -0.170 3.790 3.960 0.001 0.000 0.242 654 G C 0.482 175.383 174.900 0.002 0.000 0.989 654 G CA 0.151 45.253 45.100 0.002 0.000 0.682 654 G HN 1.158 nan 8.290 nan 0.000 0.522 655 G N -1.443 107.359 108.800 0.004 0.000 2.543 655 G HA2 0.745 4.705 3.960 0.001 0.000 0.267 655 G HA3 0.745 4.705 3.960 0.001 0.000 0.267 655 G C -0.036 174.886 174.900 0.037 0.000 1.406 655 G CA 0.566 45.672 45.100 0.010 0.000 1.048 655 G HN 0.694 nan 8.290 nan 0.000 0.548 656 T N -1.209 113.372 114.554 0.046 0.000 2.887 656 T HA 0.281 4.632 4.350 0.001 0.000 0.292 656 T C 0.352 175.127 174.700 0.124 0.000 1.087 656 T CA -0.382 61.769 62.100 0.084 0.000 1.009 656 T CB 1.805 70.712 68.868 0.064 0.000 1.203 656 T HN 0.287 nan 8.240 nan 0.000 0.518 657 F N 1.873 121.814 119.950 -0.016 0.000 2.333 657 F HA -0.041 4.486 4.527 0.001 0.000 0.300 657 F C 1.485 177.283 175.800 -0.004 0.000 1.083 657 F CA 1.254 59.243 58.000 -0.017 0.000 1.395 657 F CB -0.573 38.402 39.000 -0.042 0.000 1.056 657 F HN 0.450 nan 8.300 nan 0.000 0.529 658 N N 0.007 118.681 118.700 -0.043 0.000 2.515 658 N HA -0.069 4.671 4.740 0.001 0.000 0.185 658 N C 0.670 176.115 175.510 -0.108 0.000 1.109 658 N CA 0.963 53.940 53.050 -0.121 0.000 0.903 658 N CB -0.205 38.268 38.487 -0.023 0.000 0.969 658 N HN 0.268 nan 8.380 nan 0.000 0.450 659 D N -0.501 119.853 120.400 -0.076 0.000 2.398 659 D HA 0.035 4.675 4.640 0.001 0.000 0.210 659 D C 0.086 176.351 176.300 -0.058 0.000 1.094 659 D CA -0.057 53.914 54.000 -0.049 0.000 0.839 659 D CB 0.199 40.988 40.800 -0.017 0.000 0.963 659 D HN -0.021 nan 8.370 nan 0.000 0.506 660 V N 2.073 121.923 119.914 -0.107 0.000 2.584 660 V HA -0.069 4.052 4.120 0.001 0.000 0.303 660 V C 0.169 176.231 176.094 -0.053 0.000 1.035 660 V CA 0.170 62.421 62.300 -0.082 0.000 1.172 660 V CB -0.071 31.663 31.823 -0.149 0.000 0.896 660 V HN -0.011 nan 8.190 nan 0.000 0.486 661 I N 6.696 127.266 120.570 -0.000 0.000 2.342 661 I HA 0.268 4.439 4.170 0.001 0.000 0.291 661 I C 1.278 177.437 176.117 0.070 0.000 1.010 661 I CA 0.205 61.522 61.300 0.028 0.000 1.308 661 I CB 1.592 39.611 38.000 0.033 0.000 1.400 661 I HN 0.836 nan 8.210 nan 0.000 0.488 662 T N 0.778 115.383 114.554 0.084 0.000 3.010 662 T HA 0.359 4.709 4.350 0.001 0.000 0.257 662 T C 0.416 175.201 174.700 0.141 0.000 1.020 662 T CA -0.096 62.084 62.100 0.134 0.000 0.938 662 T CB 0.281 69.249 68.868 0.168 0.000 1.049 662 T HN 0.600 nan 8.240 nan 0.000 0.522 663 E N -0.371 119.896 120.200 0.113 0.000 2.430 663 E HA 0.580 4.931 4.350 0.001 0.000 0.279 663 E C -0.808 175.847 176.600 0.091 0.000 1.003 663 E CA -0.967 55.497 56.400 0.107 0.000 0.801 663 E CB 2.057 31.804 29.700 0.078 0.000 1.313 663 E HN 0.469 nan 8.360 nan 0.000 0.459 664 G N 1.697 110.545 108.800 0.080 0.000 2.640 664 G HA2 0.239 4.199 3.960 0.001 0.000 0.686 664 G HA3 0.239 4.199 3.960 0.001 0.000 0.686 664 G C -1.692 173.202 174.900 -0.009 0.000 1.229 664 G CA -0.382 44.738 45.100 0.033 0.000 0.796 664 G HN 0.683 nan 8.290 nan 0.000 0.654 665 D N -1.134 119.142 120.400 -0.207 0.000 2.626 665 D HA 0.622 5.263 4.640 0.001 0.000 0.278 665 D C 1.174 177.043 176.300 -0.718 0.000 1.211 665 D CA 0.151 53.767 54.000 -0.639 0.000 0.903 665 D CB 0.785 41.400 40.800 -0.309 0.000 1.408 665 D HN 1.215 nan 8.370 nan 0.000 0.454 666 G N -0.720 107.536 108.800 -0.907 0.000 2.708 666 G HA2 -0.092 3.868 3.960 0.001 0.000 0.210 666 G HA3 -0.092 3.868 3.960 0.001 0.000 0.210 666 G C 0.890 175.628 174.900 -0.271 0.000 1.141 666 G CA 0.202 45.073 45.100 -0.382 0.000 0.788 666 G HN 0.396 nan 8.290 nan 0.000 0.531 667 R N 0.000 120.317 120.500 -0.305 0.000 2.786 667 R HA 0.000 4.340 4.340 0.001 0.000 0.208 667 R CA 0.000 55.948 56.100 -0.254 0.000 0.921 667 R CB 0.000 30.147 30.300 -0.255 0.000 0.687 667 R HN 0.000 nan 8.270 nan 0.000 0.535