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 1yhz_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 0.000 174.720 174.700 0.033 0.000 1.109 86 T CA 0.000 62.118 62.100 0.030 0.000 1.349 86 T CB 0.000 68.893 68.868 0.042 0.000 0.612 87 F N 3.012 122.917 119.950 -0.074 0.000 2.467 87 F HA 0.606 5.134 4.527 0.001 0.000 0.362 87 F C 0.401 176.146 175.800 -0.092 0.000 1.090 87 F CA -0.913 57.025 58.000 -0.103 0.000 1.202 87 F CB 0.394 39.294 39.000 -0.167 0.000 1.113 87 F HN 0.495 nan 8.300 nan 0.000 0.541 88 I N 5.356 125.407 120.570 -0.865 0.000 2.297 88 I HA 0.471 4.641 4.170 0.001 0.000 0.291 88 I C 0.300 175.886 176.117 -0.885 0.000 1.033 88 I CA -0.286 60.640 61.300 -0.624 0.000 1.253 88 I CB 0.431 38.197 38.000 -0.390 0.000 1.396 88 I HN 0.781 nan 8.210 nan 0.000 0.476 89 S N 3.587 119.038 115.700 -0.415 0.000 2.641 89 S HA 0.500 4.970 4.470 0.001 0.000 0.261 89 S C 1.167 175.702 174.600 -0.108 0.000 1.257 89 S CA 0.111 58.256 58.200 -0.091 0.000 0.983 89 S CB 0.586 63.927 63.200 0.234 0.000 0.990 89 S HN 0.768 nan 8.310 nan 0.000 0.572 90 R N -0.545 119.936 120.500 -0.031 0.000 2.472 90 R HA 0.351 4.691 4.340 0.001 0.000 0.279 90 R C -1.089 174.867 176.300 -0.575 0.000 0.953 90 R CA 0.025 55.936 56.100 -0.316 0.000 1.088 90 R CB 0.342 30.389 30.300 -0.421 0.000 1.197 90 R HN 0.431 nan 8.270 nan 0.000 0.536 91 F N -0.098 119.882 119.950 0.050 0.000 2.576 91 F HA 0.555 5.083 4.527 0.001 0.000 0.313 91 F C 0.284 176.123 175.800 0.065 0.000 1.078 91 F CA -1.700 56.337 58.000 0.062 0.000 0.921 91 F CB 1.181 40.235 39.000 0.091 0.000 1.232 91 F HN -0.159 nan 8.300 nan 0.000 0.459 92 A N 2.769 125.720 122.820 0.217 0.000 2.498 92 A HA 0.294 4.614 4.320 0.001 0.000 0.239 92 A C -1.802 175.882 177.584 0.166 0.000 1.068 92 A CA -0.913 51.209 52.037 0.142 0.000 0.766 92 A CB -0.227 18.833 19.000 0.101 0.000 1.003 92 A HN 0.654 nan 8.150 nan 0.000 0.497 93 P HA -0.131 nan 4.420 nan 0.000 0.224 93 P C 0.087 177.448 177.300 0.101 0.000 1.142 93 P CA 1.863 65.047 63.100 0.140 0.000 0.778 93 P CB 0.096 31.864 31.700 0.114 0.000 0.764 94 D N -3.417 117.034 120.400 0.084 0.000 2.503 94 D HA 0.010 4.651 4.640 0.001 0.000 0.218 94 D C 0.432 176.765 176.300 0.054 0.000 1.183 94 D CA -0.198 53.834 54.000 0.054 0.000 0.827 94 D CB -0.682 40.142 40.800 0.041 0.000 1.034 94 D HN 0.078 nan 8.370 nan 0.000 0.510 95 Q N 1.309 121.160 119.800 0.086 0.000 2.296 95 Q HA 0.339 4.679 4.340 0.001 0.000 0.257 95 Q C -2.526 173.506 176.000 0.054 0.000 0.942 95 Q CA -2.070 53.788 55.803 0.091 0.000 0.939 95 Q CB 1.274 30.107 28.738 0.159 0.000 1.198 95 Q HN -0.076 nan 8.270 nan 0.000 0.429 96 P HA 0.155 nan 4.420 nan 0.000 0.275 96 P C -1.531 175.727 177.300 -0.070 0.000 1.227 96 P CA -0.190 62.889 63.100 -0.036 0.000 0.781 96 P CB 0.797 32.481 31.700 -0.026 0.000 0.906 97 R N 0.745 121.145 120.500 -0.167 0.000 2.799 97 R HA 0.524 4.865 4.340 0.001 0.000 0.270 97 R C -0.675 175.506 176.300 -0.199 0.000 1.010 97 R CA -1.160 54.786 56.100 -0.256 0.000 0.916 97 R CB 0.349 30.213 30.300 -0.726 0.000 1.228 97 R HN 0.146 nan 8.270 nan 0.000 0.469 98 K N 0.154 120.460 120.400 -0.155 0.000 2.469 98 K HA 0.105 4.425 4.320 0.001 0.000 0.274 98 K C 1.303 177.837 176.600 -0.110 0.000 0.983 98 K CA 0.671 56.900 56.287 -0.097 0.000 0.974 98 K CB 0.415 32.886 32.500 -0.050 0.000 0.913 98 K HN 0.835 nan 8.250 nan 0.000 0.493 99 G N 1.522 110.276 108.800 -0.078 0.000 2.450 99 G HA2 -0.294 3.667 3.960 0.001 0.000 0.220 99 G HA3 -0.294 3.667 3.960 0.001 0.000 0.220 99 G C 1.448 176.319 174.900 -0.047 0.000 1.130 99 G CA 1.033 46.090 45.100 -0.072 0.000 0.760 99 G HN 0.679 nan 8.290 nan 0.000 0.557 100 A N 1.117 123.917 122.820 -0.032 0.000 1.877 100 A HA -0.080 4.241 4.320 0.001 0.000 0.216 100 A C 2.089 179.672 177.584 -0.002 0.000 1.186 100 A CA 1.938 53.969 52.037 -0.009 0.000 0.620 100 A CB -0.414 18.589 19.000 0.004 0.000 0.822 100 A HN 0.307 nan 8.150 nan 0.000 0.443 101 D N -0.201 120.182 120.400 -0.029 0.000 2.178 101 D HA -0.090 4.550 4.640 0.001 0.000 0.202 101 D C 1.905 178.203 176.300 -0.003 0.000 0.974 101 D CA 1.131 55.117 54.000 -0.024 0.000 0.841 101 D CB -0.171 40.517 40.800 -0.187 0.000 0.953 101 D HN 0.529 nan 8.370 nan 0.000 0.478 102 I N 0.859 121.410 120.570 -0.032 0.000 2.252 102 I HA -0.209 3.962 4.170 0.001 0.000 0.245 102 I C 2.617 178.831 176.117 0.161 0.000 1.102 102 I CA 0.451 61.795 61.300 0.073 0.000 1.385 102 I CB -0.137 37.822 38.000 -0.069 0.000 1.064 102 I HN -0.021 nan 8.210 nan 0.000 0.414 103 L N 0.435 121.698 121.223 0.067 0.000 2.042 103 L HA -0.221 4.119 4.340 0.001 0.000 0.210 103 L C 2.524 179.440 176.870 0.077 0.000 1.076 103 L CA 1.403 56.284 54.840 0.069 0.000 0.749 103 L CB -0.089 41.987 42.059 0.028 0.000 0.893 103 L HN -0.005 nan 8.230 nan 0.000 0.432 104 V N -0.129 119.825 119.914 0.067 0.000 2.358 104 V HA -0.305 3.815 4.120 0.001 0.000 0.246 104 V C 2.431 178.559 176.094 0.057 0.000 1.047 104 V CA 2.144 64.477 62.300 0.055 0.000 1.035 104 V CB -0.573 31.288 31.823 0.062 0.000 0.658 104 V HN 0.566 nan 8.190 nan 0.000 0.452 105 E N 0.291 120.556 120.200 0.109 0.000 2.153 105 E HA -0.206 4.144 4.350 0.001 0.000 0.194 105 E C 2.202 178.671 176.600 -0.218 0.000 0.988 105 E CA 1.186 57.603 56.400 0.028 0.000 0.811 105 E CB -0.219 29.566 29.700 0.141 0.000 0.746 105 E HN 0.570 nan 8.360 nan 0.000 0.466 106 A N 0.902 123.731 122.820 0.014 0.000 1.940 106 A HA -0.163 4.157 4.320 0.001 0.000 0.219 106 A C 2.135 179.594 177.584 -0.207 0.000 1.176 106 A CA 1.148 53.186 52.037 0.002 0.000 0.631 106 A CB -0.538 18.591 19.000 0.214 0.000 0.814 106 A HN 0.312 nan 8.150 nan 0.000 0.446 107 L N -0.902 120.239 121.223 -0.137 0.000 2.044 107 L HA -0.165 4.175 4.340 0.001 0.000 0.205 107 L C 2.573 179.305 176.870 -0.229 0.000 1.075 107 L CA 1.532 56.264 54.840 -0.181 0.000 0.747 107 L CB -0.699 41.347 42.059 -0.022 0.000 0.903 107 L HN 0.459 nan 8.230 nan 0.000 0.435 108 E N 0.243 120.346 120.200 -0.162 0.000 2.110 108 E HA -0.214 4.136 4.350 0.001 0.000 0.193 108 E C 2.222 178.659 176.600 -0.272 0.000 0.988 108 E CA 0.933 57.275 56.400 -0.096 0.000 0.804 108 E CB -0.120 29.641 29.700 0.102 0.000 0.745 108 E HN 0.407 nan 8.360 nan 0.000 0.458 109 R N 0.425 120.548 120.500 -0.629 0.000 2.237 109 R HA -0.044 4.297 4.340 0.001 0.000 0.219 109 R C 1.786 177.797 176.300 -0.482 0.000 1.080 109 R CA 0.611 56.207 56.100 -0.840 0.000 0.995 109 R CB 0.136 29.771 30.300 -1.107 0.000 0.875 109 R HN 0.112 nan 8.270 nan 0.000 0.462 110 Q N -0.849 118.681 119.800 -0.451 0.000 2.360 110 Q HA 0.111 4.452 4.340 0.001 0.000 0.202 110 Q C 0.971 176.812 176.000 -0.265 0.000 0.915 110 Q CA 0.709 56.232 55.803 -0.465 0.000 0.943 110 Q CB 1.429 29.557 28.738 -1.016 0.000 1.064 110 Q HN 0.529 nan 8.270 nan 0.000 0.511 111 G N 0.384 109.079 108.800 -0.175 0.000 2.157 111 G HA2 -0.250 3.710 3.960 0.001 0.000 0.248 111 G HA3 -0.250 3.710 3.960 0.001 0.000 0.248 111 G C 0.277 175.180 174.900 0.004 0.000 0.979 111 G CA 0.229 45.299 45.100 -0.050 0.000 0.650 111 G HN 0.214 nan 8.290 nan 0.000 0.529 112 V N 0.459 120.357 119.914 -0.026 0.000 2.673 112 V HA 0.295 4.415 4.120 0.001 0.000 0.303 112 V C 1.247 177.365 176.094 0.040 0.000 1.046 112 V CA 1.491 63.820 62.300 0.049 0.000 1.126 112 V CB 1.285 33.138 31.823 0.049 0.000 0.934 112 V HN 0.540 nan 8.190 nan 0.000 0.487 113 E N 1.259 121.497 120.200 0.063 0.000 2.500 113 E HA 0.153 4.503 4.350 0.001 0.000 0.217 113 E C -0.153 176.434 176.600 -0.022 0.000 0.848 113 E CA 0.160 56.584 56.400 0.041 0.000 1.217 113 E CB 1.120 30.873 29.700 0.088 0.000 1.217 113 E HN 0.774 nan 8.360 nan 0.000 0.573 114 T N 1.271 115.771 114.554 -0.091 0.000 2.916 114 T HA 0.522 4.873 4.350 0.001 0.000 0.298 114 T C -0.631 173.805 174.700 -0.440 0.000 1.031 114 T CA -0.836 61.079 62.100 -0.308 0.000 0.993 114 T CB 2.244 70.874 68.868 -0.396 0.000 1.045 114 T HN 0.017 nan 8.240 nan 0.000 0.454 115 V N -0.704 118.909 119.914 -0.501 0.000 3.007 115 V HA 0.857 4.978 4.120 0.001 0.000 0.311 115 V C -1.758 173.987 176.094 -0.582 0.000 1.120 115 V CA -1.368 60.708 62.300 -0.374 0.000 0.980 115 V CB 1.801 33.526 31.823 -0.165 0.000 1.033 115 V HN 0.759 nan 8.190 nan 0.000 0.429 116 F N 2.809 122.709 119.950 -0.083 0.000 2.325 116 F HA 0.880 5.408 4.527 0.001 0.000 0.369 116 F C 0.599 176.411 175.800 0.020 0.000 1.095 116 F CA -0.159 57.825 58.000 -0.026 0.000 1.082 116 F CB 1.474 40.456 39.000 -0.031 0.000 1.289 116 F HN 0.934 nan 8.300 nan 0.000 0.462 117 A N 3.214 126.121 122.820 0.144 0.000 2.371 117 A HA 0.662 4.982 4.320 0.001 0.000 0.311 117 A C -2.118 175.670 177.584 0.340 0.000 1.068 117 A CA -0.666 51.496 52.037 0.209 0.000 0.744 117 A CB 0.871 19.898 19.000 0.045 0.000 1.239 117 A HN 0.622 nan 8.150 nan 0.000 0.435 118 Y N 4.695 125.105 120.300 0.183 0.000 2.334 118 Y HA 0.491 5.041 4.550 0.001 0.000 0.336 118 Y C -2.217 173.651 175.900 -0.053 0.000 0.960 118 Y CA -2.154 55.975 58.100 0.049 0.000 1.164 118 Y CB 1.835 40.291 38.460 -0.006 0.000 1.155 118 Y HN 0.535 nan 8.280 nan 0.000 0.478 119 P HA 0.289 nan 4.420 nan 0.000 0.269 119 P C -0.403 176.745 177.300 -0.254 0.000 1.209 119 P CA 0.259 62.888 63.100 -0.785 0.000 0.776 119 P CB 1.488 32.605 31.700 -0.971 0.000 0.876 120 G N 0.298 109.018 108.800 -0.133 0.000 2.677 120 G HA2 0.456 4.417 3.960 0.001 0.000 0.291 120 G HA3 0.456 4.417 3.960 0.001 0.000 0.291 120 G C 0.794 175.689 174.900 -0.009 0.000 1.435 120 G CA -0.157 44.925 45.100 -0.030 0.000 0.826 120 G HN 0.451 nan 8.290 nan 0.000 0.491 121 G N 0.377 109.188 108.800 0.018 0.000 2.529 121 G HA2 0.025 3.985 3.960 0.001 0.000 0.219 121 G HA3 0.025 3.985 3.960 0.001 0.000 0.219 121 G C 1.997 176.926 174.900 0.048 0.000 1.177 121 G CA 2.054 47.185 45.100 0.051 0.000 0.773 121 G HN 1.502 nan 8.290 nan 0.000 0.573 122 A N 0.390 123.230 122.820 0.033 0.000 2.121 122 A HA 0.156 4.476 4.320 0.001 0.000 0.218 122 A C 2.367 179.979 177.584 0.047 0.000 1.154 122 A CA 2.208 54.265 52.037 0.032 0.000 0.679 122 A CB -0.274 18.730 19.000 0.006 0.000 0.795 122 A HN 0.891 nan 8.150 nan 0.000 0.458 123 S N -2.120 113.622 115.700 0.070 0.000 2.629 123 S HA 0.258 4.728 4.470 0.001 0.000 0.236 123 S C 1.482 176.193 174.600 0.186 0.000 1.010 123 S CA 0.179 58.454 58.200 0.125 0.000 0.981 123 S CB -0.380 62.927 63.200 0.178 0.000 0.919 123 S HN 0.402 nan 8.310 nan 0.000 0.514 124 M N 1.666 121.329 119.600 0.106 0.000 2.082 124 M HA -0.131 4.349 4.480 0.001 0.000 0.258 124 M C 2.173 178.539 176.300 0.110 0.000 1.069 124 M CA 1.737 57.092 55.300 0.091 0.000 1.102 124 M CB -0.479 32.145 32.600 0.039 0.000 1.336 124 M HN 0.332 nan 8.290 nan 0.000 0.404 125 E N 0.512 120.757 120.200 0.075 0.000 2.097 125 E HA -0.200 4.150 4.350 0.001 0.000 0.196 125 E C 1.898 178.532 176.600 0.056 0.000 1.000 125 E CA 1.460 57.894 56.400 0.056 0.000 0.804 125 E CB -0.507 29.214 29.700 0.036 0.000 0.740 125 E HN 0.606 nan 8.360 nan 0.000 0.454 126 I N 0.620 121.222 120.570 0.053 0.000 2.226 126 I HA -0.264 3.906 4.170 0.001 0.000 0.245 126 I C 2.496 178.583 176.117 -0.051 0.000 1.100 126 I CA 1.074 62.371 61.300 -0.004 0.000 1.374 126 I CB -0.419 37.562 38.000 -0.033 0.000 1.057 126 I HN 0.170 nan 8.210 nan 0.000 0.413 127 H N 0.547 119.619 119.070 0.003 0.000 2.389 127 H HA -0.126 4.430 4.556 0.001 0.000 0.299 127 H C 2.286 177.614 175.328 -0.001 0.000 1.081 127 H CA 1.149 57.193 56.048 -0.007 0.000 1.345 127 H CB 0.053 29.801 29.762 -0.023 0.000 1.393 127 H HN 0.398 nan 8.280 nan 0.000 0.520 128 Q N 0.398 120.266 119.800 0.113 0.000 2.084 128 Q HA -0.067 4.273 4.340 0.001 0.000 0.202 128 Q C 2.545 178.580 176.000 0.058 0.000 0.978 128 Q CA 1.108 56.954 55.803 0.072 0.000 0.844 128 Q CB -0.423 28.352 28.738 0.062 0.000 0.898 128 Q HN 0.417 nan 8.270 nan 0.000 0.426 129 A N 0.680 123.531 122.820 0.052 0.000 1.933 129 A HA -0.155 4.165 4.320 0.001 0.000 0.218 129 A C 2.097 179.708 177.584 0.046 0.000 1.175 129 A CA 1.019 53.093 52.037 0.063 0.000 0.628 129 A CB -0.484 18.547 19.000 0.051 0.000 0.814 129 A HN 0.257 nan 8.150 nan 0.000 0.444 130 L N 0.558 121.783 121.223 0.003 0.000 2.046 130 L HA -0.141 4.200 4.340 0.001 0.000 0.208 130 L C 2.921 179.791 176.870 -0.000 0.000 1.077 130 L CA 2.605 57.432 54.840 -0.023 0.000 0.747 130 L CB -1.255 40.747 42.059 -0.094 0.000 0.896 130 L HN 0.660 nan 8.230 nan 0.000 0.432 131 T N -3.888 110.676 114.554 0.016 0.000 2.962 131 T HA -0.171 4.180 4.350 0.001 0.000 0.270 131 T C 1.938 176.647 174.700 0.015 0.000 1.088 131 T CA 0.788 62.897 62.100 0.015 0.000 1.127 131 T CB -0.334 68.547 68.868 0.022 0.000 0.883 131 T HN 0.301 nan 8.240 nan 0.000 0.493 132 R N 1.084 121.602 120.500 0.031 0.000 2.275 132 R HA 0.247 4.587 4.340 0.001 0.000 0.199 132 R C 1.278 177.589 176.300 0.019 0.000 0.989 132 R CA 0.140 56.259 56.100 0.030 0.000 1.016 132 R CB 0.020 30.364 30.300 0.074 0.000 0.918 132 R HN 0.341 nan 8.270 nan 0.000 0.473 133 S N 0.009 115.723 115.700 0.024 0.000 2.584 133 S HA 0.102 4.572 4.470 0.001 0.000 0.273 133 S C 1.050 175.646 174.600 -0.005 0.000 1.311 133 S CA -0.547 57.664 58.200 0.017 0.000 1.034 133 S CB 1.278 64.492 63.200 0.023 0.000 0.939 133 S HN 0.276 nan 8.310 nan 0.000 0.513 134 S N 1.720 117.411 115.700 -0.014 0.000 2.578 134 S HA 0.081 4.552 4.470 0.001 0.000 0.228 134 S C 1.311 175.900 174.600 -0.017 0.000 1.022 134 S CA 0.353 58.540 58.200 -0.022 0.000 0.967 134 S CB -0.085 63.093 63.200 -0.036 0.000 0.914 134 S HN 0.766 nan 8.310 nan 0.000 0.515 135 S N 0.890 116.585 115.700 -0.009 0.000 2.511 135 S HA 0.440 4.910 4.470 0.001 0.000 0.214 135 S C 0.327 174.928 174.600 0.000 0.000 0.997 135 S CA -0.486 57.713 58.200 -0.000 0.000 0.908 135 S CB -0.450 62.758 63.200 0.013 0.000 0.803 135 S HN 0.485 nan 8.310 nan 0.000 0.504 136 I N 2.968 123.532 120.570 -0.010 0.000 2.378 136 I HA 0.470 4.640 4.170 0.001 0.000 0.291 136 I C -0.135 175.951 176.117 -0.052 0.000 0.992 136 I CA -0.954 60.328 61.300 -0.030 0.000 1.154 136 I CB 1.741 39.721 38.000 -0.034 0.000 1.315 136 I HN 0.214 nan 8.210 nan 0.000 0.448 137 R N 5.909 126.363 120.500 -0.077 0.000 2.604 137 R HA 0.442 4.782 4.340 0.001 0.000 0.287 137 R C -0.940 175.260 176.300 -0.167 0.000 0.970 137 R CA -0.655 55.389 56.100 -0.093 0.000 0.946 137 R CB 1.299 31.556 30.300 -0.072 0.000 1.127 137 R HN 0.679 nan 8.270 nan 0.000 0.473 138 N N 2.454 121.066 118.700 -0.147 0.000 2.372 138 N HA 0.261 5.002 4.740 0.001 0.000 0.291 138 N C -1.364 174.039 175.510 -0.177 0.000 1.024 138 N CA -0.673 52.263 53.050 -0.189 0.000 0.873 138 N CB 1.818 40.244 38.487 -0.101 0.000 1.206 138 N HN 0.376 nan 8.380 nan 0.000 0.486 139 V N 4.603 124.348 119.914 -0.282 0.000 2.294 139 V HA 0.186 4.306 4.120 0.001 0.000 0.272 139 V C 0.191 176.308 176.094 0.039 0.000 1.027 139 V CA -0.752 61.471 62.300 -0.128 0.000 0.823 139 V CB 0.671 32.387 31.823 -0.179 0.000 1.030 139 V HN 0.564 nan 8.190 nan 0.000 0.457 140 L N 10.204 131.461 121.223 0.056 0.000 2.456 140 L HA 0.414 4.754 4.340 0.001 0.000 0.277 140 L C -1.723 175.250 176.870 0.173 0.000 1.124 140 L CA -0.481 54.420 54.840 0.101 0.000 0.880 140 L CB 0.369 42.439 42.059 0.018 0.000 1.192 140 L HN 0.380 nan 8.230 nan 0.000 0.463 141 P HA 0.247 nan 4.420 nan 0.000 0.282 141 P C -0.414 177.060 177.300 0.289 0.000 1.287 141 P CA -0.400 62.840 63.100 0.234 0.000 0.792 141 P CB 0.967 32.789 31.700 0.203 0.000 1.163 142 R N -2.283 118.320 120.500 0.173 0.000 2.397 142 R HA 0.254 4.595 4.340 0.001 0.000 0.241 142 R C 0.037 176.328 176.300 -0.014 0.000 0.914 142 R CA 0.145 56.344 56.100 0.165 0.000 1.071 142 R CB -0.823 29.534 30.300 0.095 0.000 1.116 142 R HN 0.636 nan 8.270 nan 0.000 0.524 143 H N -0.754 118.191 119.070 -0.208 0.000 3.087 143 H HA 0.117 4.673 4.556 0.001 0.000 0.348 143 H C 0.313 175.457 175.328 -0.306 0.000 1.092 143 H CA -0.410 55.427 56.048 -0.351 0.000 1.285 143 H CB 1.368 30.986 29.762 -0.239 0.000 1.875 143 H HN -0.053 nan 8.280 nan 0.000 0.512 144 E N 3.099 123.107 120.200 -0.319 0.000 2.130 144 E HA -0.328 4.022 4.350 0.001 0.000 0.196 144 E C 1.539 178.109 176.600 -0.051 0.000 0.998 144 E CA 1.499 57.812 56.400 -0.144 0.000 0.806 144 E CB 0.000 29.576 29.700 -0.208 0.000 0.738 144 E HN 0.762 nan 8.360 nan 0.000 0.459 145 Q N 1.001 120.863 119.800 0.104 0.000 2.124 145 Q HA -0.100 4.240 4.340 0.001 0.000 0.202 145 Q C 2.247 178.012 176.000 -0.392 0.000 0.977 145 Q CA 1.626 57.241 55.803 -0.312 0.000 0.850 145 Q CB -0.325 28.128 28.738 -0.475 0.000 0.901 145 Q HN 0.318 nan 8.270 nan 0.000 0.429 146 G N -0.090 108.614 108.800 -0.161 0.000 2.418 146 G HA2 -0.231 3.730 3.960 0.001 0.000 0.217 146 G HA3 -0.231 3.730 3.960 0.001 0.000 0.217 146 G C 1.287 176.131 174.900 -0.093 0.000 1.158 146 G CA 0.647 45.690 45.100 -0.094 0.000 0.771 146 G HN 0.526 nan 8.290 nan 0.000 0.545 147 G N 0.767 109.536 108.800 -0.052 0.000 2.459 147 G HA2 -0.197 3.763 3.960 0.001 0.000 0.217 147 G HA3 -0.197 3.763 3.960 0.001 0.000 0.217 147 G C 1.862 176.689 174.900 -0.121 0.000 1.183 147 G CA 1.966 47.061 45.100 -0.009 0.000 0.776 147 G HN 0.417 nan 8.290 nan 0.000 0.552 148 V N 0.095 119.922 119.914 -0.146 0.000 2.261 148 V HA -0.143 3.978 4.120 0.001 0.000 0.246 148 V C 2.520 178.588 176.094 -0.044 0.000 1.047 148 V CA 1.814 64.037 62.300 -0.128 0.000 1.015 148 V CB -1.171 30.535 31.823 -0.194 0.000 0.642 148 V HN 0.390 nan 8.190 nan 0.000 0.446 149 F N 0.947 120.805 119.950 -0.153 0.000 2.161 149 F HA -0.172 4.355 4.527 0.001 0.000 0.300 149 F C 2.682 178.244 175.800 -0.396 0.000 1.089 149 F CA 0.844 58.709 58.000 -0.225 0.000 1.282 149 F CB -0.375 38.477 39.000 -0.246 0.000 1.010 149 F HN 0.190 nan 8.300 nan 0.000 0.485 150 A N 0.332 122.980 122.820 -0.287 0.000 1.877 150 A HA -0.134 4.187 4.320 0.001 0.000 0.216 150 A C 2.362 179.475 177.584 -0.785 0.000 1.186 150 A CA 1.606 53.266 52.037 -0.628 0.000 0.620 150 A CB -1.141 17.293 19.000 -0.944 0.000 0.822 150 A HN 0.322 nan 8.150 nan 0.000 0.443 151 A N -0.274 122.113 122.820 -0.722 0.000 1.908 151 A HA -0.208 4.113 4.320 0.001 0.000 0.218 151 A C 1.955 179.508 177.584 -0.050 0.000 1.181 151 A CA 1.730 53.569 52.037 -0.329 0.000 0.627 151 A CB -0.548 18.395 19.000 -0.095 0.000 0.818 151 A HN 0.642 nan 8.150 nan 0.000 0.445 152 E N -0.820 119.368 120.200 -0.019 0.000 2.051 152 E HA -0.132 4.218 4.350 0.001 0.000 0.192 152 E C 2.235 178.865 176.600 0.051 0.000 0.991 152 E CA 0.822 57.273 56.400 0.085 0.000 0.799 152 E CB -0.415 29.427 29.700 0.237 0.000 0.748 152 E HN 0.614 nan 8.360 nan 0.000 0.449 153 G N 0.723 109.473 108.800 -0.083 0.000 2.491 153 G HA2 -0.331 3.629 3.960 0.001 0.000 0.218 153 G HA3 -0.331 3.629 3.960 0.001 0.000 0.218 153 G C 1.415 176.330 174.900 0.026 0.000 1.180 153 G CA 1.113 46.151 45.100 -0.102 0.000 0.774 153 G HN 0.290 nan 8.290 nan 0.000 0.562 154 Y N 1.937 122.193 120.300 -0.072 0.000 2.081 154 Y HA -0.140 4.410 4.550 0.001 0.000 0.280 154 Y C 3.026 178.959 175.900 0.054 0.000 1.163 154 Y CA 2.121 60.248 58.100 0.044 0.000 1.135 154 Y CB -0.406 38.148 38.460 0.156 0.000 0.970 154 Y HN 0.269 nan 8.280 nan 0.000 0.498 155 A N 0.404 123.381 122.820 0.262 0.000 1.858 155 A HA -0.216 4.104 4.320 0.001 0.000 0.216 155 A C 2.230 179.850 177.584 0.061 0.000 1.190 155 A CA 1.983 54.115 52.037 0.159 0.000 0.617 155 A CB -0.730 18.361 19.000 0.151 0.000 0.827 155 A HN 0.548 nan 8.150 nan 0.000 0.443 156 R N 0.198 120.731 120.500 0.054 0.000 2.159 156 R HA -0.106 4.235 4.340 0.001 0.000 0.237 156 R C 2.255 178.560 176.300 0.009 0.000 1.131 156 R CA 1.605 57.722 56.100 0.029 0.000 0.982 156 R CB -0.281 30.038 30.300 0.033 0.000 0.868 156 R HN 0.702 nan 8.270 nan 0.000 0.453 157 S N -1.084 114.610 115.700 -0.010 0.000 2.535 157 S HA 0.038 4.508 4.470 0.001 0.000 0.214 157 S C 1.579 176.150 174.600 -0.049 0.000 0.980 157 S CA 0.430 58.617 58.200 -0.021 0.000 0.907 157 S CB 0.534 63.717 63.200 -0.028 0.000 0.790 157 S HN 0.272 nan 8.310 nan 0.000 0.510 158 S N -0.497 115.156 115.700 -0.079 0.000 2.670 158 S HA 0.571 5.042 4.470 0.001 0.000 0.241 158 S C 1.630 176.209 174.600 -0.035 0.000 1.077 158 S CA 0.565 58.705 58.200 -0.100 0.000 0.899 158 S CB -0.070 62.980 63.200 -0.249 0.000 0.835 158 S HN 1.402 nan 8.310 nan 0.000 0.481 159 G N 1.984 110.780 108.800 -0.006 0.000 2.195 159 G HA2 -0.208 3.752 3.960 0.001 0.000 0.224 159 G HA3 -0.208 3.752 3.960 0.001 0.000 0.224 159 G C -0.082 174.846 174.900 0.046 0.000 0.990 159 G CA 0.124 45.238 45.100 0.023 0.000 0.639 159 G HN 0.797 nan 8.290 nan 0.000 0.514 160 K N 1.167 121.602 120.400 0.058 0.000 2.132 160 K HA 0.674 4.994 4.320 0.001 0.000 0.241 160 K C -2.701 174.007 176.600 0.179 0.000 1.000 160 K CA -2.054 54.309 56.287 0.127 0.000 0.911 160 K CB 1.851 34.448 32.500 0.162 0.000 1.093 160 K HN 0.113 nan 8.250 nan 0.000 0.460 161 P HA 0.043 nan 4.420 nan 0.000 0.275 161 P C -0.414 177.024 177.300 0.230 0.000 1.228 161 P CA -0.176 63.017 63.100 0.154 0.000 0.786 161 P CB 0.872 32.616 31.700 0.073 0.000 0.927 162 G N 2.036 110.933 108.800 0.162 0.000 2.348 162 G HA2 0.546 4.506 3.960 0.001 0.000 0.312 162 G HA3 0.546 4.506 3.960 0.001 0.000 0.312 162 G C -0.913 174.022 174.900 0.059 0.000 1.126 162 G CA -0.433 44.767 45.100 0.167 0.000 0.865 162 G HN 0.321 nan 8.290 nan 0.000 0.474 163 I N 1.404 122.012 120.570 0.065 0.000 2.436 163 I HA 0.388 4.558 4.170 0.001 0.000 0.289 163 I C 0.277 176.465 176.117 0.118 0.000 1.010 163 I CA -0.773 60.558 61.300 0.051 0.000 1.098 163 I CB 1.693 39.730 38.000 0.062 0.000 1.266 163 I HN 0.683 nan 8.210 nan 0.000 0.434 164 C N 5.548 124.894 119.300 0.078 0.000 2.634 164 C HA 0.889 5.350 4.460 0.001 0.000 0.313 164 C C -0.433 174.591 174.990 0.057 0.000 1.198 164 C CA -1.044 58.037 59.018 0.106 0.000 1.605 164 C CB 0.653 28.439 27.740 0.077 0.000 2.196 164 C HN 0.669 nan 8.230 nan 0.000 0.486 165 I N 2.075 122.687 120.570 0.070 0.000 2.608 165 I HA 0.775 4.945 4.170 0.001 0.000 0.295 165 I C 0.223 176.404 176.117 0.106 0.000 1.049 165 I CA -0.420 60.912 61.300 0.053 0.000 1.063 165 I CB 2.000 39.995 38.000 -0.007 0.000 1.248 165 I HN 1.094 nan 8.210 nan 0.000 0.424 166 A N 3.218 126.091 122.820 0.088 0.000 2.556 166 A HA 0.747 5.067 4.320 0.001 0.000 0.294 166 A C -0.480 177.151 177.584 0.079 0.000 1.091 166 A CA -0.510 51.585 52.037 0.096 0.000 0.704 166 A CB 1.952 20.969 19.000 0.030 0.000 1.300 166 A HN 0.596 nan 8.150 nan 0.000 0.406 167 T N 0.025 114.621 114.554 0.071 0.000 2.753 167 T HA 0.510 4.860 4.350 0.001 0.000 0.309 167 T C 1.066 175.758 174.700 -0.013 0.000 1.043 167 T CA 0.461 62.583 62.100 0.036 0.000 0.964 167 T CB 0.078 68.959 68.868 0.022 0.000 1.206 167 T HN 1.624 nan 8.240 nan 0.000 0.528 168 S N -0.289 115.388 115.700 -0.038 0.000 2.617 168 S HA 0.548 5.018 4.470 0.001 0.000 0.259 168 S C 1.378 175.916 174.600 -0.102 0.000 1.301 168 S CA -0.132 58.030 58.200 -0.064 0.000 0.984 168 S CB -0.104 63.054 63.200 -0.070 0.000 0.954 168 S HN 1.583 nan 8.310 nan 0.000 0.572 169 G N 1.723 110.461 108.800 -0.104 0.000 2.672 169 G HA2 -0.313 3.648 3.960 0.001 0.000 0.332 169 G HA3 -0.313 3.648 3.960 0.001 0.000 0.332 169 G C -0.884 173.950 174.900 -0.111 0.000 1.213 169 G CA 0.504 45.533 45.100 -0.119 0.000 0.980 169 G HN 0.749 nan 8.290 nan 0.000 0.548 170 P HA -0.078 nan 4.420 nan 0.000 0.218 170 P C 1.939 179.157 177.300 -0.136 0.000 1.148 170 P CA 2.785 65.809 63.100 -0.127 0.000 0.822 170 P CB -0.729 30.888 31.700 -0.138 0.000 0.784 171 G N 0.783 109.511 108.800 -0.121 0.000 2.453 171 G HA2 -0.211 3.750 3.960 0.001 0.000 0.215 171 G HA3 -0.211 3.750 3.960 0.001 0.000 0.215 171 G C 1.895 176.742 174.900 -0.090 0.000 1.201 171 G CA 1.320 46.356 45.100 -0.107 0.000 0.784 171 G HN 0.354 nan 8.290 nan 0.000 0.545 172 A N 0.831 123.610 122.820 -0.069 0.000 1.883 172 A HA -0.109 4.211 4.320 0.001 0.000 0.217 172 A C 2.664 180.209 177.584 -0.066 0.000 1.186 172 A CA 3.204 55.207 52.037 -0.058 0.000 0.624 172 A CB -1.391 17.579 19.000 -0.050 0.000 0.822 172 A HN 0.635 nan 8.150 nan 0.000 0.444 173 T N -1.994 112.517 114.554 -0.071 0.000 2.881 173 T HA -0.159 4.192 4.350 0.001 0.000 0.270 173 T C 1.364 176.023 174.700 -0.068 0.000 1.068 173 T CA 1.639 63.700 62.100 -0.065 0.000 1.131 173 T CB -0.871 67.960 68.868 -0.063 0.000 0.871 173 T HN 0.625 nan 8.240 nan 0.000 0.479 174 N N 0.570 119.221 118.700 -0.081 0.000 2.550 174 N HA 0.162 4.903 4.740 0.001 0.000 0.186 174 N C 1.275 176.729 175.510 -0.095 0.000 1.110 174 N CA 0.276 53.287 53.050 -0.066 0.000 0.912 174 N CB -0.204 38.219 38.487 -0.108 0.000 0.968 174 N HN 0.437 nan 8.380 nan 0.000 0.448 175 L N -0.637 120.526 121.223 -0.100 0.000 2.513 175 L HA 0.074 4.414 4.340 0.001 0.000 0.222 175 L C 1.954 178.757 176.870 -0.111 0.000 1.096 175 L CA -0.003 54.764 54.840 -0.121 0.000 0.857 175 L CB -0.070 41.940 42.059 -0.082 0.000 1.026 175 L HN -0.042 nan 8.230 nan 0.000 0.469 176 V N 0.177 120.041 119.914 -0.083 0.000 2.252 176 V HA -0.410 3.710 4.120 0.001 0.000 0.255 176 V C 2.620 178.684 176.094 -0.050 0.000 1.071 176 V CA 2.500 64.765 62.300 -0.059 0.000 1.050 176 V CB -0.686 31.107 31.823 -0.049 0.000 0.654 176 V HN 0.455 nan 8.190 nan 0.000 0.448 177 S N 0.051 115.710 115.700 -0.068 0.000 2.383 177 S HA -0.139 4.331 4.470 0.001 0.000 0.229 177 S C 2.011 176.643 174.600 0.054 0.000 1.030 177 S CA 1.324 59.518 58.200 -0.009 0.000 1.002 177 S CB -0.705 62.492 63.200 -0.006 0.000 0.829 177 S HN 0.748 nan 8.310 nan 0.000 0.467 178 G N 1.738 110.495 108.800 -0.072 0.000 2.418 178 G HA2 -0.110 3.850 3.960 0.001 0.000 0.217 178 G HA3 -0.110 3.850 3.960 0.001 0.000 0.217 178 G C 1.331 176.278 174.900 0.079 0.000 1.158 178 G CA 0.573 45.705 45.100 0.052 0.000 0.771 178 G HN 0.427 nan 8.290 nan 0.000 0.545 179 L N 0.727 121.956 121.223 0.009 0.000 1.994 179 L HA -0.073 4.267 4.340 0.001 0.000 0.208 179 L C 3.441 180.321 176.870 0.017 0.000 1.071 179 L CA 1.159 56.004 54.840 0.007 0.000 0.745 179 L CB -0.627 41.423 42.059 -0.016 0.000 0.892 179 L HN 0.294 nan 8.230 nan 0.000 0.431 180 A N 0.018 122.846 122.820 0.014 0.000 1.940 180 A HA -0.313 4.007 4.320 0.001 0.000 0.219 180 A C 1.957 179.549 177.584 0.014 0.000 1.176 180 A CA 2.321 54.363 52.037 0.009 0.000 0.631 180 A CB -0.723 18.280 19.000 0.005 0.000 0.814 180 A HN 0.475 nan 8.150 nan 0.000 0.446 181 D N -0.435 119.993 120.400 0.048 0.000 2.097 181 D HA -0.018 4.622 4.640 0.001 0.000 0.195 181 D C 2.056 178.357 176.300 0.002 0.000 0.989 181 D CA 1.645 55.660 54.000 0.026 0.000 0.827 181 D CB -0.225 40.650 40.800 0.125 0.000 0.966 181 D HN 0.339 nan 8.370 nan 0.000 0.456 182 A N -0.134 122.711 122.820 0.040 0.000 1.930 182 A HA -0.073 4.247 4.320 0.001 0.000 0.217 182 A C 2.104 179.690 177.584 0.003 0.000 1.175 182 A CA 1.173 53.226 52.037 0.026 0.000 0.627 182 A CB -0.740 18.283 19.000 0.039 0.000 0.815 182 A HN 0.379 nan 8.150 nan 0.000 0.443 183 L N -0.334 120.890 121.223 0.001 0.000 2.027 183 L HA -0.016 4.324 4.340 0.001 0.000 0.206 183 L C 2.213 179.078 176.870 -0.009 0.000 1.074 183 L CA 1.606 56.444 54.840 -0.003 0.000 0.745 183 L CB -0.534 41.524 42.059 -0.002 0.000 0.898 183 L HN 0.376 nan 8.230 nan 0.000 0.433 184 L N -0.696 120.516 121.223 -0.019 0.000 2.141 184 L HA -0.150 4.190 4.340 0.001 0.000 0.209 184 L C 1.322 178.170 176.870 -0.037 0.000 1.094 184 L CA 0.990 55.813 54.840 -0.028 0.000 0.763 184 L CB -0.457 41.578 42.059 -0.040 0.000 0.908 184 L HN 0.283 nan 8.230 nan 0.000 0.437 185 D N -0.994 119.377 120.400 -0.048 0.000 2.349 185 D HA 0.052 4.692 4.640 0.001 0.000 0.214 185 D C 0.533 176.815 176.300 -0.030 0.000 1.063 185 D CA 0.170 54.137 54.000 -0.056 0.000 0.847 185 D CB 0.446 41.184 40.800 -0.104 0.000 0.933 185 D HN -0.022 nan 8.370 nan 0.000 0.513 186 S N -0.375 115.315 115.700 -0.016 0.000 3.711 186 S HA -0.141 4.329 4.470 0.001 0.000 0.374 186 S C 0.082 174.680 174.600 -0.003 0.000 0.969 186 S CA -0.038 58.158 58.200 -0.006 0.000 1.198 186 S CB -1.426 61.773 63.200 -0.002 0.000 0.903 186 S HN 0.104 nan 8.310 nan 0.000 0.493 187 V N 3.394 123.309 119.914 0.000 0.000 2.383 187 V HA 0.353 4.473 4.120 0.001 0.000 0.275 187 V C -1.525 174.576 176.094 0.013 0.000 1.036 187 V CA -1.870 60.438 62.300 0.013 0.000 0.889 187 V CB 1.224 33.063 31.823 0.027 0.000 0.985 187 V HN 0.224 nan 8.190 nan 0.000 0.459 188 P HA 0.191 nan 4.420 nan 0.000 0.266 188 P C -0.871 176.426 177.300 -0.004 0.000 1.215 188 P CA 0.142 63.241 63.100 -0.001 0.000 0.763 188 P CB 1.179 32.888 31.700 0.014 0.000 0.806 189 L N 4.475 125.671 121.223 -0.045 0.000 2.513 189 L HA 0.445 4.785 4.340 0.001 0.000 0.261 189 L C -1.360 175.427 176.870 -0.137 0.000 0.945 189 L CA -0.787 54.017 54.840 -0.060 0.000 0.848 189 L CB 2.502 44.554 42.059 -0.013 0.000 1.334 189 L HN 0.029 nan 8.230 nan 0.000 0.407 190 V N 4.017 123.811 119.914 -0.201 0.000 2.376 190 V HA 0.787 4.907 4.120 0.001 0.000 0.287 190 V C -0.001 176.015 176.094 -0.130 0.000 1.015 190 V CA -0.302 61.839 62.300 -0.265 0.000 0.834 190 V CB 1.385 32.825 31.823 -0.637 0.000 1.001 190 V HN 0.829 nan 8.190 nan 0.000 0.428 191 A N 6.658 129.434 122.820 -0.074 0.000 2.292 191 A HA 0.897 5.218 4.320 0.001 0.000 0.319 191 A C -0.641 176.932 177.584 -0.019 0.000 1.206 191 A CA -0.451 51.566 52.037 -0.033 0.000 0.835 191 A CB 0.608 19.593 19.000 -0.026 0.000 1.164 191 A HN 0.772 nan 8.150 nan 0.000 0.505 192 I N 2.455 123.024 120.570 -0.003 0.000 2.406 192 I HA 0.440 4.611 4.170 0.001 0.000 0.290 192 I C 0.099 176.222 176.117 0.010 0.000 0.999 192 I CA -0.302 61.002 61.300 0.006 0.000 1.124 192 I CB 2.407 40.415 38.000 0.013 0.000 1.289 192 I HN 0.757 nan 8.210 nan 0.000 0.441 193 T N 1.663 116.222 114.554 0.008 0.000 2.876 193 T HA 0.676 5.026 4.350 0.001 0.000 0.289 193 T C 0.036 174.742 174.700 0.010 0.000 1.014 193 T CA -0.822 61.284 62.100 0.009 0.000 0.986 193 T CB 1.832 70.697 68.868 -0.005 0.000 1.021 193 T HN 0.647 nan 8.240 nan 0.000 0.458 194 G N 1.295 110.105 108.800 0.018 0.000 2.539 194 G HA2 0.539 4.500 3.960 0.001 0.000 0.258 194 G HA3 0.539 4.500 3.960 0.001 0.000 0.258 194 G C -0.737 174.164 174.900 0.001 0.000 1.202 194 G CA -0.319 44.791 45.100 0.016 0.000 0.851 194 G HN 0.684 nan 8.290 nan 0.000 0.556 195 Q N -1.139 118.662 119.800 0.001 0.000 2.544 195 Q HA 0.461 4.801 4.340 0.001 0.000 0.291 195 Q C 0.222 176.222 176.000 0.001 0.000 1.068 195 Q CA -0.703 55.096 55.803 -0.006 0.000 0.785 195 Q CB 2.094 30.829 28.738 -0.005 0.000 1.481 195 Q HN 0.636 nan 8.270 nan 0.000 0.430 196 V N -0.817 119.097 119.914 -0.000 0.000 3.237 196 V HA 0.409 4.529 4.120 0.001 0.000 0.305 196 V C -2.271 173.833 176.094 0.016 0.000 1.096 196 V CA -1.476 60.833 62.300 0.016 0.000 1.130 196 V CB -0.366 31.469 31.823 0.019 0.000 1.048 196 V HN 0.607 nan 8.190 nan 0.000 0.484 197 P HA 0.169 nan 4.420 nan 0.000 0.266 197 P C 0.609 177.916 177.300 0.011 0.000 1.195 197 P CA 0.152 63.262 63.100 0.016 0.000 0.768 197 P CB 0.324 32.035 31.700 0.019 0.000 0.838 198 R N 3.018 123.521 120.500 0.005 0.000 2.134 198 R HA -0.265 4.075 4.340 0.001 0.000 0.248 198 R C 2.234 178.536 176.300 0.004 0.000 1.143 198 R CA 2.167 58.269 56.100 0.003 0.000 0.957 198 R CB -0.544 29.756 30.300 -0.000 0.000 0.867 198 R HN 0.582 nan 8.270 nan 0.000 0.441 199 R N 0.591 121.093 120.500 0.004 0.000 2.193 199 R HA -0.098 4.242 4.340 0.001 0.000 0.229 199 R C 1.568 177.872 176.300 0.007 0.000 1.110 199 R CA 1.636 57.739 56.100 0.004 0.000 0.988 199 R CB -0.232 30.071 30.300 0.004 0.000 0.871 199 R HN 0.284 nan 8.270 nan 0.000 0.458 200 M N 0.916 120.522 119.600 0.011 0.000 2.428 200 M HA 0.249 4.729 4.480 0.001 0.000 0.239 200 M C 0.259 176.567 176.300 0.012 0.000 1.121 200 M CA -0.041 55.268 55.300 0.015 0.000 1.019 200 M CB 0.427 33.042 32.600 0.025 0.000 1.485 200 M HN 0.003 nan 8.290 nan 0.000 0.484 201 I N 1.461 122.035 120.570 0.007 0.000 2.710 201 I HA -0.039 4.131 4.170 0.001 0.000 0.286 201 I C 1.377 177.495 176.117 0.002 0.000 1.181 201 I CA 0.881 62.183 61.300 0.003 0.000 1.430 201 I CB 0.211 38.211 38.000 -0.000 0.000 1.367 201 I HN 0.626 nan 8.210 nan 0.000 0.577 202 G N 3.889 112.689 108.800 -0.000 0.000 2.179 202 G HA2 -0.300 3.660 3.960 0.001 0.000 0.260 202 G HA3 -0.300 3.660 3.960 0.001 0.000 0.260 202 G C 0.694 175.596 174.900 0.003 0.000 0.977 202 G CA 0.547 45.646 45.100 -0.001 0.000 0.641 202 G HN 0.789 nan 8.290 nan 0.000 0.533 203 T N -2.060 112.498 114.554 0.007 0.000 3.134 203 T HA 0.401 4.751 4.350 0.001 0.000 0.260 203 T C 0.645 175.354 174.700 0.015 0.000 1.027 203 T CA 0.859 62.965 62.100 0.011 0.000 0.913 203 T CB 0.108 68.984 68.868 0.014 0.000 1.046 203 T HN 0.470 nan 8.240 nan 0.000 0.553 204 D N 1.070 121.477 120.400 0.013 0.000 2.746 204 D HA -0.128 4.512 4.640 0.001 0.000 0.236 204 D C 0.514 176.834 176.300 0.035 0.000 1.129 204 D CA 0.844 54.854 54.000 0.016 0.000 0.691 204 D CB -1.526 39.283 40.800 0.015 0.000 1.077 204 D HN 0.828 nan 8.370 nan 0.000 0.432 205 A N -0.101 122.743 122.820 0.040 0.000 2.366 205 A HA 0.366 4.687 4.320 0.001 0.000 0.250 205 A C 0.423 178.076 177.584 0.115 0.000 1.099 205 A CA -0.335 51.748 52.037 0.077 0.000 0.794 205 A CB 0.200 19.240 19.000 0.067 0.000 1.056 205 A HN 0.194 nan 8.150 nan 0.000 0.499 206 F N 0.780 120.726 119.950 -0.007 0.000 2.612 206 F HA 0.104 4.631 4.527 0.001 0.000 0.389 206 F C 1.229 177.024 175.800 -0.008 0.000 1.055 206 F CA 1.122 59.117 58.000 -0.008 0.000 1.232 206 F CB -0.428 38.568 39.000 -0.007 0.000 1.044 206 F HN 0.753 nan 8.300 nan 0.000 0.560 207 Q N 2.211 121.678 119.800 -0.554 0.000 2.453 207 Q HA -0.312 4.029 4.340 0.001 0.000 0.294 207 Q C -0.212 175.647 176.000 -0.235 0.000 1.295 207 Q CA 1.211 56.708 55.803 -0.510 0.000 0.853 207 Q CB -1.303 26.963 28.738 -0.787 0.000 1.193 207 Q HN 0.837 nan 8.270 nan 0.000 0.461 208 E N 0.357 120.480 120.200 -0.128 0.000 2.191 208 E HA 0.475 4.825 4.350 0.001 0.000 0.278 208 E C -0.827 175.736 176.600 -0.063 0.000 0.972 208 E CA -0.211 56.147 56.400 -0.071 0.000 0.804 208 E CB 1.336 31.019 29.700 -0.028 0.000 1.110 208 E HN 0.076 nan 8.360 nan 0.000 0.394 209 T N 5.144 119.665 114.554 -0.054 0.000 3.032 209 T HA 0.294 4.645 4.350 0.001 0.000 0.312 209 T C -2.619 172.059 174.700 -0.037 0.000 1.078 209 T CA -1.140 60.932 62.100 -0.047 0.000 1.028 209 T CB 1.814 70.648 68.868 -0.057 0.000 1.091 209 T HN 0.396 nan 8.240 nan 0.000 0.457 210 P HA 0.221 nan 4.420 nan 0.000 0.230 210 P C 0.904 178.185 177.300 -0.032 0.000 1.791 210 P CA -0.288 62.795 63.100 -0.028 0.000 1.020 210 P CB -0.145 31.540 31.700 -0.024 0.000 1.977 211 I N 2.528 123.077 120.570 -0.034 0.000 2.264 211 I HA -0.245 3.926 4.170 0.001 0.000 0.248 211 I C 2.110 178.204 176.117 -0.038 0.000 1.111 211 I CA 1.457 62.735 61.300 -0.037 0.000 1.382 211 I CB -0.331 37.647 38.000 -0.036 0.000 1.060 211 I HN -0.054 nan 8.210 nan 0.000 0.418 212 V N 0.386 120.277 119.914 -0.039 0.000 2.407 212 V HA -0.239 3.881 4.120 0.001 0.000 0.248 212 V C 2.577 178.640 176.094 -0.051 0.000 1.055 212 V CA 1.867 64.136 62.300 -0.051 0.000 1.049 212 V CB -0.719 31.073 31.823 -0.051 0.000 0.662 212 V HN 0.422 nan 8.190 nan 0.000 0.455 213 E N -0.082 120.094 120.200 -0.039 0.000 2.072 213 E HA -0.122 4.229 4.350 0.001 0.000 0.190 213 E C 2.275 178.855 176.600 -0.032 0.000 0.982 213 E CA 1.055 57.434 56.400 -0.034 0.000 0.803 213 E CB -0.162 29.522 29.700 -0.028 0.000 0.755 213 E HN 0.453 nan 8.360 nan 0.000 0.453 214 V N 1.096 120.991 119.914 -0.033 0.000 2.358 214 V HA -0.204 3.916 4.120 0.001 0.000 0.246 214 V C 2.416 178.491 176.094 -0.032 0.000 1.047 214 V CA 2.203 64.484 62.300 -0.031 0.000 1.035 214 V CB -0.717 31.085 31.823 -0.033 0.000 0.658 214 V HN 0.403 nan 8.190 nan 0.000 0.452 215 T N -2.284 112.248 114.554 -0.037 0.000 3.107 215 T HA 0.010 4.360 4.350 0.001 0.000 0.249 215 T C 1.693 176.370 174.700 -0.038 0.000 1.096 215 T CA 0.349 62.426 62.100 -0.037 0.000 1.012 215 T CB -0.163 68.681 68.868 -0.040 0.000 0.977 215 T HN 0.353 nan 8.240 nan 0.000 0.527 216 R N 2.242 122.717 120.500 -0.040 0.000 2.105 216 R HA -0.095 4.245 4.340 0.001 0.000 0.239 216 R C 2.384 178.671 176.300 -0.021 0.000 1.135 216 R CA 1.959 58.036 56.100 -0.038 0.000 0.967 216 R CB -0.438 29.840 30.300 -0.037 0.000 0.861 216 R HN 0.545 nan 8.270 nan 0.000 0.442 217 S N -0.197 115.491 115.700 -0.019 0.000 2.558 217 S HA 0.020 4.491 4.470 0.001 0.000 0.217 217 S C 1.371 175.965 174.600 -0.011 0.000 0.975 217 S CA 0.257 58.450 58.200 -0.012 0.000 0.912 217 S CB -0.154 63.039 63.200 -0.013 0.000 0.776 217 S HN 0.550 nan 8.310 nan 0.000 0.526 218 I N 0.059 120.620 120.570 -0.014 0.000 3.833 218 I HA 0.422 4.592 4.170 0.001 0.000 0.328 218 I C -0.262 175.848 176.117 -0.011 0.000 1.554 218 I CA -0.585 60.707 61.300 -0.012 0.000 1.116 218 I CB 0.372 38.363 38.000 -0.015 0.000 1.182 218 I HN 0.188 nan 8.210 nan 0.000 0.459 219 T N -3.298 111.250 114.554 -0.010 0.000 2.883 219 T HA 0.335 4.685 4.350 0.001 0.000 0.301 219 T C 0.378 175.083 174.700 0.009 0.000 1.158 219 T CA -0.772 61.323 62.100 -0.007 0.000 1.007 219 T CB 2.791 71.646 68.868 -0.021 0.000 1.186 219 T HN 0.168 nan 8.240 nan 0.000 0.499 220 K N -0.049 120.362 120.400 0.017 0.000 2.148 220 K HA -0.055 4.265 4.320 0.001 0.000 0.204 220 K C 0.184 176.835 176.600 0.086 0.000 1.050 220 K CA 1.260 57.567 56.287 0.032 0.000 0.942 220 K CB -0.001 32.509 32.500 0.017 0.000 0.724 220 K HN 0.770 nan 8.250 nan 0.000 0.446 221 H N -1.302 117.722 119.070 -0.077 0.000 2.984 221 H HA 0.233 4.789 4.556 0.001 0.000 0.298 221 H C -1.942 173.310 175.328 -0.127 0.000 1.378 221 H CA -1.104 54.863 56.048 -0.135 0.000 1.241 221 H CB 0.814 30.472 29.762 -0.174 0.000 1.894 221 H HN 0.259 nan 8.280 nan 0.000 0.511 222 N N 0.896 119.153 118.700 -0.739 0.000 2.732 222 N HA 0.475 5.216 4.740 0.001 0.000 0.259 222 N C -1.934 173.146 175.510 -0.716 0.000 1.402 222 N CA -0.677 52.096 53.050 -0.461 0.000 0.829 222 N CB 1.558 39.923 38.487 -0.203 0.000 1.495 222 N HN 0.388 nan 8.380 nan 0.000 0.511 223 Y N -1.120 119.031 120.300 -0.248 0.000 2.581 223 Y HA 0.648 5.198 4.550 0.001 0.000 0.345 223 Y C -1.159 174.682 175.900 -0.098 0.000 1.036 223 Y CA -1.108 56.889 58.100 -0.171 0.000 1.042 223 Y CB 1.910 40.302 38.460 -0.114 0.000 1.289 223 Y HN 0.588 nan 8.280 nan 0.000 0.471 224 L N 2.348 123.635 121.223 0.107 0.000 2.388 224 L HA 0.624 4.964 4.340 0.001 0.000 0.267 224 L C -1.414 175.489 176.870 0.056 0.000 0.995 224 L CA -0.730 54.140 54.840 0.050 0.000 0.864 224 L CB 0.939 43.007 42.059 0.015 0.000 1.216 224 L HN 0.427 nan 8.230 nan 0.000 0.430 225 V N 6.685 126.621 119.914 0.037 0.000 2.485 225 V HA 0.083 4.204 4.120 0.001 0.000 0.287 225 V C 1.240 177.337 176.094 0.005 0.000 1.022 225 V CA 0.223 62.531 62.300 0.013 0.000 1.067 225 V CB 0.796 32.611 31.823 -0.013 0.000 0.967 225 V HN 0.794 nan 8.190 nan 0.000 0.479 226 M N 2.721 122.323 119.600 0.005 0.000 2.333 226 M HA 0.346 4.826 4.480 0.001 0.000 0.257 226 M C -0.012 176.281 176.300 -0.012 0.000 1.078 226 M CA 0.304 55.604 55.300 -0.001 0.000 1.005 226 M CB -0.164 32.438 32.600 0.004 0.000 1.444 226 M HN 0.789 nan 8.290 nan 0.000 0.496 227 D N -0.753 119.634 120.400 -0.022 0.000 2.937 227 D HA 0.095 4.735 4.640 0.001 0.000 0.215 227 D C 0.422 176.691 176.300 -0.051 0.000 1.274 227 D CA -0.173 53.807 54.000 -0.034 0.000 0.869 227 D CB 1.953 42.733 40.800 -0.034 0.000 1.675 227 D HN -0.185 nan 8.370 nan 0.000 0.538 228 V N 4.014 123.893 119.914 -0.058 0.000 2.453 228 V HA -0.190 3.930 4.120 0.001 0.000 0.252 228 V C 1.661 177.691 176.094 -0.108 0.000 1.068 228 V CA 2.059 64.312 62.300 -0.078 0.000 1.070 228 V CB -0.202 31.574 31.823 -0.078 0.000 0.664 228 V HN 0.578 nan 8.190 nan 0.000 0.461 229 E N -0.175 119.964 120.200 -0.102 0.000 2.209 229 E HA -0.202 4.148 4.350 0.001 0.000 0.196 229 E C 1.724 178.245 176.600 -0.132 0.000 0.993 229 E CA 1.523 57.848 56.400 -0.124 0.000 0.819 229 E CB -0.312 29.331 29.700 -0.095 0.000 0.745 229 E HN 0.721 nan 8.360 nan 0.000 0.477 230 D N 0.110 120.449 120.400 -0.102 0.000 2.349 230 D HA 0.052 4.692 4.640 0.001 0.000 0.215 230 D C 1.941 178.172 176.300 -0.115 0.000 1.016 230 D CA -0.009 53.934 54.000 -0.096 0.000 0.870 230 D CB 0.019 40.783 40.800 -0.060 0.000 0.917 230 D HN 0.215 nan 8.370 nan 0.000 0.524 231 I N 1.578 122.075 120.570 -0.121 0.000 2.118 231 I HA -0.239 3.932 4.170 0.001 0.000 0.241 231 I C -0.556 175.502 176.117 -0.099 0.000 1.070 231 I CA 1.418 62.655 61.300 -0.105 0.000 1.327 231 I CB -1.447 36.497 38.000 -0.093 0.000 1.034 231 I HN 0.003 nan 8.210 nan 0.000 0.405 232 P HA -0.190 nan 4.420 nan 0.000 0.214 232 P C 1.667 178.946 177.300 -0.036 0.000 1.163 232 P CA 1.521 64.555 63.100 -0.110 0.000 0.883 232 P CB -0.149 31.311 31.700 -0.400 0.000 0.788 233 R N -0.264 120.185 120.500 -0.084 0.000 2.073 233 R HA -0.105 4.235 4.340 0.001 0.000 0.234 233 R C 2.265 178.511 176.300 -0.090 0.000 1.134 233 R CA 1.497 57.559 56.100 -0.063 0.000 0.952 233 R CB -0.845 29.416 30.300 -0.065 0.000 0.850 233 R HN 0.152 nan 8.270 nan 0.000 0.433 234 I N 0.765 121.236 120.570 -0.165 0.000 2.226 234 I HA -0.297 3.873 4.170 0.001 0.000 0.245 234 I C 2.175 178.133 176.117 -0.265 0.000 1.100 234 I CA 0.834 61.911 61.300 -0.372 0.000 1.374 234 I CB -0.235 37.495 38.000 -0.450 0.000 1.057 234 I HN 0.203 nan 8.210 nan 0.000 0.413 235 I N 0.803 121.324 120.570 -0.083 0.000 2.179 235 I HA -0.298 3.872 4.170 0.001 0.000 0.242 235 I C 2.560 178.791 176.117 0.190 0.000 1.088 235 I CA 1.650 63.002 61.300 0.087 0.000 1.357 235 I CB -1.238 36.829 38.000 0.112 0.000 1.051 235 I HN 0.386 nan 8.210 nan 0.000 0.409 236 E N 1.034 121.291 120.200 0.094 0.000 2.085 236 E HA -0.245 4.105 4.350 0.001 0.000 0.194 236 E C 2.050 178.763 176.600 0.188 0.000 0.994 236 E CA 1.450 57.919 56.400 0.115 0.000 0.801 236 E CB 0.035 29.767 29.700 0.055 0.000 0.743 236 E HN 0.483 nan 8.360 nan 0.000 0.453 237 E N -0.101 120.164 120.200 0.107 0.000 2.110 237 E HA -0.194 4.157 4.350 0.001 0.000 0.193 237 E C 2.009 178.754 176.600 0.241 0.000 0.988 237 E CA 0.815 57.315 56.400 0.167 0.000 0.804 237 E CB -0.115 29.653 29.700 0.112 0.000 0.745 237 E HN 0.378 nan 8.360 nan 0.000 0.458 238 A N 0.782 123.692 122.820 0.150 0.000 1.858 238 A HA -0.182 4.138 4.320 0.001 0.000 0.216 238 A C 1.899 179.541 177.584 0.097 0.000 1.190 238 A CA 1.249 53.370 52.037 0.139 0.000 0.617 238 A CB -0.841 18.175 19.000 0.026 0.000 0.827 238 A HN 0.182 nan 8.150 nan 0.000 0.443 239 F N -1.421 118.578 119.950 0.082 0.000 2.134 239 F HA -0.110 4.417 4.527 0.001 0.000 0.299 239 F C 2.031 177.887 175.800 0.094 0.000 1.097 239 F CA 1.584 59.631 58.000 0.079 0.000 1.264 239 F CB -0.672 38.372 39.000 0.073 0.000 1.001 239 F HN 0.351 nan 8.300 nan 0.000 0.479 240 F N 0.479 120.548 119.950 0.198 0.000 2.102 240 F HA -0.191 4.336 4.527 0.001 0.000 0.298 240 F C 2.028 177.861 175.800 0.055 0.000 1.105 240 F CA 1.602 59.675 58.000 0.122 0.000 1.239 240 F CB -0.594 38.464 39.000 0.097 0.000 0.991 240 F HN -0.147 nan 8.300 nan 0.000 0.474 241 L N -0.276 120.947 121.223 -0.001 0.000 2.093 241 L HA -0.157 4.184 4.340 0.001 0.000 0.208 241 L C 2.747 179.518 176.870 -0.166 0.000 1.085 241 L CA 1.075 55.780 54.840 -0.225 0.000 0.755 241 L CB -1.075 40.903 42.059 -0.134 0.000 0.904 241 L HN 0.249 nan 8.230 nan 0.000 0.435 242 A N -0.102 122.665 122.820 -0.088 0.000 1.930 242 A HA -0.185 4.135 4.320 0.001 0.000 0.217 242 A C 2.376 179.916 177.584 -0.073 0.000 1.175 242 A CA 2.161 54.148 52.037 -0.084 0.000 0.627 242 A CB -0.707 18.214 19.000 -0.133 0.000 0.815 242 A HN 0.514 nan 8.150 nan 0.000 0.443 243 T N -2.413 112.092 114.554 -0.082 0.000 3.040 243 T HA 0.141 4.491 4.350 0.001 0.000 0.252 243 T C 1.177 175.809 174.700 -0.113 0.000 1.064 243 T CA 0.693 62.757 62.100 -0.060 0.000 1.110 243 T CB -0.639 68.232 68.868 0.005 0.000 0.921 243 T HN 0.558 nan 8.240 nan 0.000 0.480 244 S N 0.421 115.973 115.700 -0.247 0.000 2.645 244 S HA 0.610 5.080 4.470 0.001 0.000 0.266 244 S C 1.400 175.962 174.600 -0.063 0.000 1.258 244 S CA -0.149 57.900 58.200 -0.251 0.000 0.990 244 S CB 0.380 63.195 63.200 -0.642 0.000 0.967 244 S HN 1.149 nan 8.310 nan 0.000 0.556 245 G N 1.636 110.412 108.800 -0.039 0.000 2.651 245 G HA2 -0.360 3.600 3.960 0.001 0.000 0.315 245 G HA3 -0.360 3.600 3.960 0.001 0.000 0.315 245 G C -0.001 174.895 174.900 -0.006 0.000 1.258 245 G CA 0.619 45.711 45.100 -0.014 0.000 1.002 245 G HN 1.096 nan 8.290 nan 0.000 0.551 246 R N 2.025 122.536 120.500 0.018 0.000 2.220 246 R HA 0.465 4.805 4.340 0.001 0.000 0.340 246 R C -2.275 174.032 176.300 0.012 0.000 1.076 246 R CA -1.447 54.659 56.100 0.010 0.000 0.920 246 R CB 0.612 30.920 30.300 0.014 0.000 1.062 246 R HN 0.263 nan 8.270 nan 0.000 0.469 247 P HA 0.110 nan 4.420 nan 0.000 0.267 247 P C -0.531 176.766 177.300 -0.005 0.000 1.201 247 P CA 0.093 63.188 63.100 -0.009 0.000 0.775 247 P CB 0.970 32.667 31.700 -0.006 0.000 0.854 248 G N 1.117 109.909 108.800 -0.013 0.000 2.506 248 G HA2 0.479 4.439 3.960 0.001 0.000 0.292 248 G HA3 0.479 4.439 3.960 0.001 0.000 0.292 248 G C -3.343 171.546 174.900 -0.018 0.000 1.425 248 G CA -0.924 44.171 45.100 -0.008 0.000 0.788 248 G HN 0.273 nan 8.290 nan 0.000 0.490 249 P HA 0.549 nan 4.420 nan 0.000 0.282 249 P C -0.843 176.446 177.300 -0.018 0.000 1.249 249 P CA -0.433 62.654 63.100 -0.022 0.000 0.806 249 P CB 2.152 33.845 31.700 -0.011 0.000 0.984 250 V N 4.178 124.073 119.914 -0.032 0.000 2.569 250 V HA 0.324 4.444 4.120 0.001 0.000 0.301 250 V C 0.084 176.174 176.094 -0.008 0.000 1.044 250 V CA -0.729 61.573 62.300 0.002 0.000 0.874 250 V CB 1.904 33.751 31.823 0.040 0.000 1.002 250 V HN 0.494 nan 8.190 nan 0.000 0.424 251 L N 5.626 126.851 121.223 0.003 0.000 2.322 251 L HA 0.813 5.153 4.340 0.001 0.000 0.279 251 L C -1.012 175.890 176.870 0.053 0.000 1.036 251 L CA -0.390 54.452 54.840 0.003 0.000 0.807 251 L CB 1.785 43.832 42.059 -0.020 0.000 1.226 251 L HN 0.474 nan 8.230 nan 0.000 0.433 252 V N 3.654 123.591 119.914 0.038 0.000 2.409 252 V HA 0.287 4.408 4.120 0.001 0.000 0.290 252 V C -0.873 175.236 176.094 0.025 0.000 1.017 252 V CA -0.598 61.733 62.300 0.052 0.000 0.841 252 V CB 1.454 33.282 31.823 0.008 0.000 1.003 252 V HN 0.665 nan 8.190 nan 0.000 0.426 253 D N 3.696 124.115 120.400 0.030 0.000 2.280 253 D HA 0.447 5.087 4.640 0.001 0.000 0.243 253 D C -0.558 175.749 176.300 0.011 0.000 1.129 253 D CA 0.113 54.121 54.000 0.013 0.000 0.848 253 D CB 1.691 42.495 40.800 0.005 0.000 1.107 253 D HN 0.288 nan 8.370 nan 0.000 0.471 254 V N 6.333 126.250 119.914 0.005 0.000 2.304 254 V HA 0.329 4.449 4.120 0.001 0.000 0.278 254 V C -2.146 173.950 176.094 0.003 0.000 1.018 254 V CA -1.817 60.484 62.300 0.002 0.000 0.814 254 V CB 1.344 33.168 31.823 0.001 0.000 1.021 254 V HN 0.498 nan 8.190 nan 0.000 0.440 255 P HA 0.061 nan 4.420 nan 0.000 0.266 255 P C 0.862 178.165 177.300 0.005 0.000 1.195 255 P CA 0.051 63.153 63.100 0.003 0.000 0.768 255 P CB 0.858 32.559 31.700 0.001 0.000 0.838 256 K N 3.631 124.038 120.400 0.012 0.000 2.074 256 K HA -0.230 4.090 4.320 0.001 0.000 0.209 256 K C 1.363 177.969 176.600 0.010 0.000 1.048 256 K CA 2.037 58.334 56.287 0.016 0.000 0.926 256 K CB -0.315 32.201 32.500 0.026 0.000 0.713 256 K HN 0.526 nan 8.250 nan 0.000 0.444 257 D N 0.496 120.900 120.400 0.007 0.000 2.218 257 D HA -0.199 4.441 4.640 0.001 0.000 0.204 257 D C 1.886 178.182 176.300 -0.007 0.000 0.976 257 D CA 1.051 55.051 54.000 0.001 0.000 0.853 257 D CB -0.278 40.522 40.800 0.001 0.000 0.939 257 D HN 0.403 nan 8.370 nan 0.000 0.481 258 I N 0.221 120.785 120.570 -0.009 0.000 2.617 258 I HA -0.175 3.995 4.170 0.001 0.000 0.256 258 I C 2.475 178.579 176.117 -0.022 0.000 1.167 258 I CA 0.565 61.853 61.300 -0.019 0.000 1.469 258 I CB -0.135 37.853 38.000 -0.020 0.000 1.098 258 I HN -0.081 nan 8.210 nan 0.000 0.436 259 Q N 0.317 120.110 119.800 -0.012 0.000 2.167 259 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 259 Q C 1.878 177.870 176.000 -0.013 0.000 0.970 259 Q CA 1.181 56.978 55.803 -0.010 0.000 0.855 259 Q CB 0.056 28.797 28.738 0.005 0.000 0.911 259 Q HN 0.595 nan 8.270 nan 0.000 0.438 260 Q N -0.115 119.679 119.800 -0.010 0.000 2.402 260 Q HA 0.028 4.369 4.340 0.001 0.000 0.206 260 Q C 0.167 176.155 176.000 -0.021 0.000 0.919 260 Q CA -0.082 55.715 55.803 -0.010 0.000 0.923 260 Q CB 0.356 29.093 28.738 -0.001 0.000 1.048 260 Q HN 0.282 nan 8.270 nan 0.000 0.515 261 Q N 1.372 121.156 119.800 -0.027 0.000 2.274 261 Q HA 0.121 4.462 4.340 0.001 0.000 0.280 261 Q C -0.917 175.053 176.000 -0.050 0.000 1.047 261 Q CA 0.002 55.784 55.803 -0.035 0.000 0.907 261 Q CB 0.503 29.218 28.738 -0.038 0.000 1.171 261 Q HN 0.236 nan 8.270 nan 0.000 0.381 262 L N 3.005 124.200 121.223 -0.047 0.000 2.349 262 L HA 0.636 4.976 4.340 0.001 0.000 0.275 262 L C -0.114 176.714 176.870 -0.070 0.000 1.115 262 L CA -0.274 54.531 54.840 -0.059 0.000 0.820 262 L CB 1.005 43.040 42.059 -0.041 0.000 1.135 262 L HN 0.764 nan 8.230 nan 0.000 0.445 263 A N 3.905 126.669 122.820 -0.093 0.000 2.566 263 A HA 0.668 4.988 4.320 0.001 0.000 0.290 263 A C -1.280 176.232 177.584 -0.119 0.000 1.071 263 A CA -0.572 51.405 52.037 -0.100 0.000 0.658 263 A CB 1.047 19.980 19.000 -0.112 0.000 1.285 263 A HN 0.550 nan 8.150 nan 0.000 0.427 264 I N 2.766 123.267 120.570 -0.115 0.000 2.330 264 I HA 0.334 4.505 4.170 0.001 0.000 0.286 264 I C -1.904 174.096 176.117 -0.196 0.000 1.025 264 I CA -1.729 59.503 61.300 -0.114 0.000 1.197 264 I CB 1.628 39.588 38.000 -0.066 0.000 1.358 264 I HN 0.490 nan 8.210 nan 0.000 0.467 265 P HA 0.030 nan 4.420 nan 0.000 0.269 265 P C -1.047 175.860 177.300 -0.655 0.000 1.215 265 P CA -0.244 62.495 63.100 -0.601 0.000 0.780 265 P CB 0.951 32.091 31.700 -0.934 0.000 0.898 266 N N 1.472 119.754 118.700 -0.697 0.000 2.524 266 N HA 0.176 4.916 4.740 0.001 0.000 0.261 266 N C -0.285 174.938 175.510 -0.479 0.000 0.998 266 N CA -0.660 52.122 53.050 -0.447 0.000 0.915 266 N CB 0.591 38.938 38.487 -0.234 0.000 1.187 266 N HN 0.382 nan 8.380 nan 0.000 0.507 267 W N 1.809 123.085 121.300 -0.041 0.000 3.256 267 W HA 0.221 4.882 4.660 0.001 0.000 0.269 267 W C 1.214 177.702 176.519 -0.052 0.000 1.310 267 W CA -0.404 56.906 57.345 -0.060 0.000 1.673 267 W CB 0.564 29.981 29.460 -0.072 0.000 1.115 267 W HN 0.471 nan 8.180 nan 0.000 0.686 268 E N 0.417 120.675 120.200 0.098 0.000 2.474 268 E HA 0.016 4.366 4.350 0.001 0.000 0.194 268 E C 0.450 177.058 176.600 0.014 0.000 1.041 268 E CA 0.322 56.756 56.400 0.057 0.000 0.874 268 E CB -0.280 29.445 29.700 0.041 0.000 0.914 268 E HN 0.453 nan 8.360 nan 0.000 0.498 269 Q N 0.794 120.586 119.800 -0.014 0.000 2.315 269 Q HA 0.221 4.562 4.340 0.001 0.000 0.289 269 Q C -0.073 175.914 176.000 -0.022 0.000 1.044 269 Q CA 0.041 55.825 55.803 -0.030 0.000 0.920 269 Q CB 0.587 29.290 28.738 -0.059 0.000 1.214 269 Q HN 0.044 nan 8.270 nan 0.000 0.392 270 A N 3.467 126.272 122.820 -0.026 0.000 2.316 270 A HA 0.419 4.739 4.320 0.001 0.000 0.284 270 A C -0.038 177.524 177.584 -0.036 0.000 1.115 270 A CA -0.573 51.444 52.037 -0.033 0.000 0.812 270 A CB 0.435 19.417 19.000 -0.030 0.000 1.064 270 A HN 0.754 nan 8.150 nan 0.000 0.489 271 M N 1.325 120.891 119.600 -0.057 0.000 2.243 271 M HA 0.196 4.677 4.480 0.001 0.000 0.341 271 M C 0.416 176.702 176.300 -0.024 0.000 1.130 271 M CA 0.628 55.899 55.300 -0.048 0.000 1.162 271 M CB 0.497 33.031 32.600 -0.109 0.000 1.497 271 M HN 0.612 nan 8.290 nan 0.000 0.456 272 R N 3.205 123.716 120.500 0.018 0.000 3.785 272 R HA 0.350 4.691 4.340 0.001 0.000 0.255 272 R C -0.704 175.628 176.300 0.053 0.000 1.485 272 R CA -0.056 56.064 56.100 0.035 0.000 1.555 272 R CB -0.183 30.148 30.300 0.052 0.000 1.362 272 R HN 0.633 nan 8.270 nan 0.000 0.702 273 L N 1.712 122.960 121.223 0.042 0.000 3.083 273 L HA 0.254 4.594 4.340 0.001 0.000 0.286 273 L C -1.445 175.485 176.870 0.101 0.000 1.307 273 L CA -1.237 53.655 54.840 0.087 0.000 0.897 273 L CB 0.861 42.995 42.059 0.126 0.000 1.306 273 L HN 0.150 nan 8.230 nan 0.000 0.569 274 P HA -0.208 nan 4.420 nan 0.000 0.215 274 P C 1.596 178.930 177.300 0.057 0.000 1.157 274 P CA 1.935 65.062 63.100 0.045 0.000 0.874 274 P CB 0.326 32.042 31.700 0.027 0.000 0.790 275 G N -1.011 107.828 108.800 0.064 0.000 2.433 275 G HA2 -0.304 3.656 3.960 0.001 0.000 0.216 275 G HA3 -0.304 3.656 3.960 0.001 0.000 0.216 275 G C 1.682 176.631 174.900 0.081 0.000 1.186 275 G CA 0.740 45.874 45.100 0.057 0.000 0.779 275 G HN 0.206 nan 8.290 nan 0.000 0.543 276 Y N 1.024 121.331 120.300 0.012 0.000 2.128 276 Y HA -0.177 4.373 4.550 0.001 0.000 0.284 276 Y C 2.979 178.924 175.900 0.075 0.000 1.154 276 Y CA 1.959 60.083 58.100 0.040 0.000 1.149 276 Y CB -0.081 38.422 38.460 0.072 0.000 0.976 276 Y HN 0.065 nan 8.280 nan 0.000 0.505 277 M N -0.251 119.451 119.600 0.171 0.000 2.080 277 M HA -0.217 4.264 4.480 0.001 0.000 0.260 277 M C 2.437 178.731 176.300 -0.010 0.000 1.068 277 M CA 2.104 57.461 55.300 0.095 0.000 1.109 277 M CB -1.829 30.822 32.600 0.086 0.000 1.342 277 M HN 0.485 nan 8.290 nan 0.000 0.405 278 S N 0.109 115.803 115.700 -0.009 0.000 2.442 278 S HA -0.101 4.369 4.470 0.001 0.000 0.236 278 S C 2.180 176.742 174.600 -0.064 0.000 1.007 278 S CA 1.450 59.634 58.200 -0.027 0.000 0.965 278 S CB -0.829 62.364 63.200 -0.012 0.000 0.773 278 S HN 0.559 nan 8.310 nan 0.000 0.504 279 R N 0.967 121.400 120.500 -0.112 0.000 2.210 279 R HA 0.475 4.816 4.340 0.001 0.000 0.203 279 R C 1.206 177.385 176.300 -0.201 0.000 1.010 279 R CA 0.844 56.852 56.100 -0.152 0.000 1.008 279 R CB -1.031 29.164 30.300 -0.175 0.000 0.923 279 R HN 0.651 nan 8.270 nan 0.000 0.469 280 M N 2.423 121.879 119.600 -0.240 0.000 2.338 280 M HA 0.098 4.578 4.480 0.001 0.000 0.360 280 M C -2.050 174.176 176.300 -0.123 0.000 1.547 280 M CA -1.289 53.885 55.300 -0.210 0.000 1.001 280 M CB 0.389 32.910 32.600 -0.131 0.000 2.008 280 M HN 0.042 nan 8.290 nan 0.000 0.464 281 P HA 0.124 nan 4.420 nan 0.000 0.266 281 P C -0.207 177.052 177.300 -0.069 0.000 1.195 281 P CA 0.271 63.314 63.100 -0.095 0.000 0.768 281 P CB 0.396 32.034 31.700 -0.104 0.000 0.838 282 K N 3.715 124.078 120.400 -0.061 0.000 2.109 282 K HA 0.480 4.800 4.320 0.001 0.000 0.243 282 K C -2.259 174.314 176.600 -0.045 0.000 1.006 282 K CA -1.715 54.547 56.287 -0.041 0.000 0.917 282 K CB -1.216 31.265 32.500 -0.031 0.000 1.081 282 K HN 0.497 nan 8.250 nan 0.000 0.468 283 P HA 0.122 nan 4.420 nan 0.000 0.266 283 P C -2.368 174.911 177.300 -0.035 0.000 1.195 283 P CA -0.683 62.399 63.100 -0.030 0.000 0.768 283 P CB -0.277 31.415 31.700 -0.014 0.000 0.838 284 P HA 0.080 nan 4.420 nan 0.000 0.266 284 P C -0.186 177.117 177.300 0.005 0.000 1.195 284 P CA 0.315 63.386 63.100 -0.048 0.000 0.768 284 P CB 0.805 32.464 31.700 -0.068 0.000 0.838 285 E N 1.201 121.433 120.200 0.053 0.000 2.331 285 E HA 0.025 4.375 4.350 0.001 0.000 0.272 285 E C 0.857 177.522 176.600 0.108 0.000 1.036 285 E CA -0.426 56.038 56.400 0.107 0.000 0.864 285 E CB 0.556 30.379 29.700 0.206 0.000 1.035 285 E HN 0.410 nan 8.360 nan 0.000 0.408 286 D N 1.496 121.936 120.400 0.066 0.000 2.218 286 D HA -0.162 4.479 4.640 0.001 0.000 0.204 286 D C 1.921 178.249 176.300 0.046 0.000 0.976 286 D CA 1.378 55.409 54.000 0.052 0.000 0.853 286 D CB 0.047 40.867 40.800 0.035 0.000 0.939 286 D HN 0.399 nan 8.370 nan 0.000 0.481 287 S N 0.635 116.351 115.700 0.026 0.000 2.348 287 S HA -0.214 4.256 4.470 0.001 0.000 0.221 287 S C 1.912 176.481 174.600 -0.052 0.000 1.033 287 S CA 0.902 59.076 58.200 -0.042 0.000 1.010 287 S CB -0.704 62.426 63.200 -0.116 0.000 0.891 287 S HN 0.343 nan 8.310 nan 0.000 0.442 288 H N 1.875 120.953 119.070 0.013 0.000 2.321 288 H HA 0.061 4.617 4.556 0.001 0.000 0.300 288 H C 2.309 177.653 175.328 0.027 0.000 1.087 288 H CA 1.748 57.806 56.048 0.016 0.000 1.319 288 H CB -0.461 29.303 29.762 0.003 0.000 1.379 288 H HN 0.366 nan 8.280 nan 0.000 0.501 289 L N 0.685 121.999 121.223 0.152 0.000 2.046 289 L HA -0.169 4.171 4.340 0.001 0.000 0.208 289 L C 2.377 179.307 176.870 0.100 0.000 1.077 289 L CA 1.277 56.180 54.840 0.105 0.000 0.747 289 L CB -0.397 41.708 42.059 0.076 0.000 0.896 289 L HN 0.314 nan 8.230 nan 0.000 0.432 290 E N -0.351 119.894 120.200 0.075 0.000 2.208 290 E HA -0.243 4.107 4.350 0.001 0.000 0.193 290 E C 2.103 178.739 176.600 0.060 0.000 0.988 290 E CA 0.610 57.047 56.400 0.062 0.000 0.828 290 E CB -0.017 29.706 29.700 0.039 0.000 0.763 290 E HN 0.510 nan 8.360 nan 0.000 0.478 291 Q N 0.874 120.706 119.800 0.054 0.000 2.119 291 Q HA -0.160 4.181 4.340 0.001 0.000 0.201 291 Q C 2.179 178.227 176.000 0.081 0.000 0.972 291 Q CA 0.966 56.799 55.803 0.050 0.000 0.847 291 Q CB 0.052 28.809 28.738 0.033 0.000 0.903 291 Q HN 0.297 nan 8.270 nan 0.000 0.433 292 I N -0.167 120.470 120.570 0.113 0.000 2.142 292 I HA -0.267 3.904 4.170 0.001 0.000 0.240 292 I C 2.249 178.459 176.117 0.154 0.000 1.078 292 I CA 0.854 62.243 61.300 0.149 0.000 1.343 292 I CB -0.292 37.821 38.000 0.188 0.000 1.046 292 I HN 0.067 nan 8.210 nan 0.000 0.405 293 V N 1.083 121.088 119.914 0.151 0.000 2.469 293 V HA -0.308 3.813 4.120 0.001 0.000 0.251 293 V C 2.625 178.777 176.094 0.097 0.000 1.064 293 V CA 2.017 64.398 62.300 0.135 0.000 1.066 293 V CB -0.905 30.984 31.823 0.109 0.000 0.667 293 V HN 0.440 nan 8.190 nan 0.000 0.461 294 R N -0.104 120.443 120.500 0.078 0.000 2.066 294 R HA -0.100 4.240 4.340 0.001 0.000 0.232 294 R C 2.307 178.642 176.300 0.058 0.000 1.131 294 R CA 1.517 57.651 56.100 0.056 0.000 0.955 294 R CB -0.286 30.039 30.300 0.042 0.000 0.851 294 R HN 0.440 nan 8.270 nan 0.000 0.432 295 L N 0.705 121.967 121.223 0.065 0.000 2.127 295 L HA -0.192 4.148 4.340 0.001 0.000 0.211 295 L C 2.409 179.315 176.870 0.060 0.000 1.089 295 L CA 1.141 56.011 54.840 0.050 0.000 0.757 295 L CB -0.287 41.802 42.059 0.050 0.000 0.899 295 L HN 0.308 nan 8.230 nan 0.000 0.434 296 I N -0.520 120.109 120.570 0.099 0.000 2.202 296 I HA -0.287 3.883 4.170 0.001 0.000 0.242 296 I C 2.752 178.998 176.117 0.215 0.000 1.091 296 I CA 1.642 63.028 61.300 0.144 0.000 1.368 296 I CB -0.394 37.709 38.000 0.171 0.000 1.058 296 I HN 0.346 nan 8.210 nan 0.000 0.410 297 S N 0.192 115.973 115.700 0.135 0.000 2.419 297 S HA -0.177 4.294 4.470 0.001 0.000 0.233 297 S C 1.664 176.301 174.600 0.061 0.000 1.016 297 S CA 1.100 59.347 58.200 0.080 0.000 0.974 297 S CB -0.435 62.783 63.200 0.030 0.000 0.786 297 S HN 0.506 nan 8.310 nan 0.000 0.492 298 E N 1.570 121.806 120.200 0.059 0.000 2.442 298 E HA 0.080 4.431 4.350 0.001 0.000 0.195 298 E C 0.653 177.270 176.600 0.028 0.000 1.030 298 E CA 0.362 56.780 56.400 0.029 0.000 0.869 298 E CB 0.291 29.999 29.700 0.014 0.000 0.857 298 E HN 0.720 nan 8.360 nan 0.000 0.505 299 S N -0.539 115.200 115.700 0.065 0.000 2.646 299 S HA 0.503 4.973 4.470 0.001 0.000 0.276 299 S C 0.680 175.351 174.600 0.117 0.000 1.222 299 S CA -0.179 58.031 58.200 0.017 0.000 1.014 299 S CB 1.835 64.994 63.200 -0.069 0.000 0.991 299 S HN 0.083 nan 8.310 nan 0.000 0.533 300 K N 0.721 121.100 120.400 -0.036 0.000 2.435 300 K HA 0.371 4.692 4.320 0.001 0.000 0.199 300 K C 0.676 177.128 176.600 -0.245 0.000 1.153 300 K CA 0.196 56.486 56.287 0.005 0.000 0.974 300 K CB -0.173 32.296 32.500 -0.052 0.000 0.997 300 K HN 0.728 nan 8.250 nan 0.000 0.547 301 K N 2.200 122.210 120.400 -0.651 0.000 2.877 301 K HA 0.228 4.548 4.320 0.001 0.000 0.176 301 K C -2.982 172.934 176.600 -1.140 0.000 1.075 301 K CA -1.771 53.562 56.287 -1.589 0.000 0.939 301 K CB 1.926 33.291 32.500 -1.890 0.000 1.237 301 K HN 0.232 nan 8.250 nan 0.000 0.607 302 P HA 0.194 nan 4.420 nan 0.000 0.278 302 P C -0.463 176.744 177.300 -0.156 0.000 1.238 302 P CA -0.379 62.431 63.100 -0.484 0.000 0.794 302 P CB 1.745 33.027 31.700 -0.698 0.000 0.955 303 V N 3.695 123.543 119.914 -0.110 0.000 2.668 303 V HA 0.257 4.377 4.120 0.001 0.000 0.304 303 V C 0.225 176.258 176.094 -0.103 0.000 1.071 303 V CA -0.689 61.600 62.300 -0.018 0.000 0.894 303 V CB 2.005 33.850 31.823 0.038 0.000 1.008 303 V HN 0.434 nan 8.190 nan 0.000 0.425 304 L N 4.651 125.806 121.223 -0.114 0.000 2.290 304 L HA 0.409 4.750 4.340 0.001 0.000 0.284 304 L C -0.897 175.922 176.870 -0.085 0.000 1.078 304 L CA -0.441 54.278 54.840 -0.202 0.000 0.815 304 L CB 0.720 42.654 42.059 -0.207 0.000 1.162 304 L HN 0.744 nan 8.230 nan 0.000 0.435 305 Y N 5.212 125.344 120.300 -0.279 0.000 2.842 305 Y HA 0.460 5.010 4.550 0.001 0.000 0.334 305 Y C -0.865 174.930 175.900 -0.175 0.000 1.019 305 Y CA -1.248 56.736 58.100 -0.193 0.000 1.258 305 Y CB 0.544 38.887 38.460 -0.195 0.000 1.106 305 Y HN 0.170 nan 8.280 nan 0.000 0.545 306 V N 5.341 125.225 119.914 -0.051 0.000 2.509 306 V HA 0.825 4.946 4.120 0.001 0.000 0.284 306 V C 0.610 176.660 176.094 -0.074 0.000 1.047 306 V CA 0.235 62.485 62.300 -0.084 0.000 0.952 306 V CB 1.083 32.905 31.823 -0.002 0.000 0.988 306 V HN 0.879 nan 8.190 nan 0.000 0.469 307 G N 2.149 110.891 108.800 -0.096 0.000 3.222 307 G HA2 0.519 4.479 3.960 0.001 0.000 0.263 307 G HA3 0.519 4.479 3.960 0.001 0.000 0.263 307 G C 0.924 175.821 174.900 -0.004 0.000 1.312 307 G CA 0.033 45.096 45.100 -0.062 0.000 0.934 307 G HN 0.873 nan 8.290 nan 0.000 0.577 308 G N -0.451 108.350 108.800 0.003 0.000 2.501 308 G HA2 0.135 4.095 3.960 0.001 0.000 0.220 308 G HA3 0.135 4.095 3.960 0.001 0.000 0.220 308 G C 1.530 176.439 174.900 0.015 0.000 1.114 308 G CA 1.555 46.667 45.100 0.020 0.000 0.757 308 G HN 1.019 nan 8.290 nan 0.000 0.559 309 G N -0.337 108.466 108.800 0.005 0.000 2.534 309 G HA2 -0.104 3.856 3.960 0.001 0.000 0.217 309 G HA3 -0.104 3.856 3.960 0.001 0.000 0.217 309 G C 1.366 176.272 174.900 0.010 0.000 1.128 309 G CA 1.056 46.159 45.100 0.004 0.000 0.784 309 G HN 0.449 nan 8.290 nan 0.000 0.542 310 C N 0.651 119.966 119.300 0.025 0.000 2.697 310 C HA 0.326 4.786 4.460 0.001 0.000 0.267 310 C C 2.505 177.524 174.990 0.049 0.000 1.278 310 C CA -0.564 58.477 59.018 0.039 0.000 1.708 310 C CB -1.080 26.698 27.740 0.064 0.000 1.860 310 C HN 0.423 nan 8.230 nan 0.000 0.589 311 L N 1.263 122.514 121.223 0.045 0.000 2.351 311 L HA -0.194 4.146 4.340 0.001 0.000 0.220 311 L C 1.369 178.269 176.870 0.050 0.000 1.127 311 L CA 1.560 56.432 54.840 0.053 0.000 0.786 311 L CB -0.552 41.535 42.059 0.046 0.000 0.914 311 L HN 0.587 nan 8.230 nan 0.000 0.443 312 N N -1.740 116.983 118.700 0.038 0.000 2.235 312 N HA 0.088 4.829 4.740 0.001 0.000 0.231 312 N C 0.240 175.772 175.510 0.036 0.000 1.177 312 N CA -0.202 52.869 53.050 0.035 0.000 0.874 312 N CB 0.774 39.276 38.487 0.024 0.000 1.097 312 N HN -0.000 nan 8.380 nan 0.000 0.518 313 S N -0.785 114.942 115.700 0.044 0.000 2.843 313 S HA 0.092 4.563 4.470 0.001 0.000 0.249 313 S C 1.261 175.908 174.600 0.079 0.000 1.047 313 S CA -0.404 57.825 58.200 0.047 0.000 1.042 313 S CB 0.637 63.851 63.200 0.023 0.000 0.936 313 S HN 0.200 nan 8.310 nan 0.000 0.531 314 S N 2.822 118.575 115.700 0.088 0.000 2.359 314 S HA -0.212 4.258 4.470 0.001 0.000 0.223 314 S C 1.514 176.190 174.600 0.126 0.000 1.039 314 S CA 1.967 60.235 58.200 0.114 0.000 1.042 314 S CB -0.260 62.998 63.200 0.097 0.000 0.915 314 S HN 0.516 nan 8.310 nan 0.000 0.439 315 D N 0.635 121.096 120.400 0.101 0.000 2.097 315 D HA -0.062 4.578 4.640 0.001 0.000 0.195 315 D C 2.092 178.464 176.300 0.120 0.000 0.989 315 D CA 1.302 55.364 54.000 0.103 0.000 0.827 315 D CB -0.682 40.166 40.800 0.079 0.000 0.966 315 D HN 0.456 nan 8.370 nan 0.000 0.456 316 E N 0.515 120.778 120.200 0.104 0.000 2.058 316 E HA -0.149 4.201 4.350 0.001 0.000 0.194 316 E C 1.980 178.680 176.600 0.166 0.000 0.997 316 E CA 0.345 56.812 56.400 0.112 0.000 0.801 316 E CB -0.407 29.331 29.700 0.064 0.000 0.746 316 E HN 0.142 nan 8.360 nan 0.000 0.450 317 L N 0.298 121.614 121.223 0.156 0.000 2.046 317 L HA -0.012 4.328 4.340 0.001 0.000 0.208 317 L C 2.062 179.093 176.870 0.268 0.000 1.077 317 L CA 2.285 57.244 54.840 0.198 0.000 0.747 317 L CB -1.023 41.137 42.059 0.168 0.000 0.896 317 L HN 0.185 nan 8.230 nan 0.000 0.432 318 G N -0.790 108.170 108.800 0.266 0.000 2.459 318 G HA2 -0.373 3.588 3.960 0.001 0.000 0.217 318 G HA3 -0.373 3.588 3.960 0.001 0.000 0.217 318 G C 1.741 176.786 174.900 0.243 0.000 1.183 318 G CA 0.917 46.199 45.100 0.303 0.000 0.776 318 G HN 0.378 nan 8.290 nan 0.000 0.552 319 R N 0.178 120.799 120.500 0.202 0.000 2.081 319 R HA -0.042 4.298 4.340 0.001 0.000 0.235 319 R C 2.171 178.580 176.300 0.182 0.000 1.131 319 R CA 1.414 57.613 56.100 0.165 0.000 0.960 319 R CB -1.177 29.209 30.300 0.143 0.000 0.856 319 R HN 0.340 nan 8.270 nan 0.000 0.436 320 F N -0.072 119.931 119.950 0.089 0.000 2.126 320 F HA -0.169 4.358 4.527 0.001 0.000 0.299 320 F C 1.800 177.642 175.800 0.070 0.000 1.096 320 F CA 1.681 59.733 58.000 0.088 0.000 1.255 320 F CB -0.149 38.920 39.000 0.114 0.000 0.997 320 F HN -0.099 nan 8.300 nan 0.000 0.479 321 V N 1.045 121.069 119.914 0.183 0.000 2.548 321 V HA -0.247 3.873 4.120 0.001 0.000 0.249 321 V C 2.082 178.191 176.094 0.025 0.000 1.055 321 V CA 1.934 64.260 62.300 0.043 0.000 1.065 321 V CB -0.983 30.809 31.823 -0.052 0.000 0.681 321 V HN 0.524 nan 8.190 nan 0.000 0.462 322 E N 0.159 120.400 120.200 0.070 0.000 2.511 322 E HA -0.033 4.317 4.350 0.001 0.000 0.196 322 E C 1.755 178.361 176.600 0.011 0.000 1.066 322 E CA 0.694 57.129 56.400 0.059 0.000 0.871 322 E CB -0.099 29.651 29.700 0.083 0.000 0.863 322 E HN 0.550 nan 8.360 nan 0.000 0.520 323 L N 0.594 121.790 121.223 -0.045 0.000 2.609 323 L HA 0.135 4.475 4.340 0.001 0.000 0.230 323 L C 1.975 178.772 176.870 -0.121 0.000 1.087 323 L CA 1.009 55.801 54.840 -0.081 0.000 0.874 323 L CB 0.493 42.492 42.059 -0.099 0.000 1.114 323 L HN 0.308 nan 8.230 nan 0.000 0.488 324 T N -5.590 108.871 114.554 -0.155 0.000 2.964 324 T HA 0.196 4.546 4.350 0.001 0.000 0.249 324 T C 1.448 176.241 174.700 0.155 0.000 1.000 324 T CA 0.577 62.641 62.100 -0.060 0.000 0.992 324 T CB 0.703 69.395 68.868 -0.293 0.000 1.087 324 T HN 0.201 nan 8.240 nan 0.000 0.489 325 G N 2.119 110.967 108.800 0.080 0.000 2.198 325 G HA2 -0.208 3.752 3.960 0.001 0.000 0.260 325 G HA3 -0.208 3.752 3.960 0.001 0.000 0.260 325 G C -0.029 174.974 174.900 0.172 0.000 1.025 325 G CA 0.295 45.482 45.100 0.145 0.000 0.769 325 G HN 0.726 nan 8.290 nan 0.000 0.507 326 I N 2.137 122.733 120.570 0.044 0.000 2.371 326 I HA 0.258 4.428 4.170 0.001 0.000 0.290 326 I C -1.306 174.780 176.117 -0.052 0.000 1.028 326 I CA -2.344 58.921 61.300 -0.058 0.000 1.345 326 I CB 1.191 39.118 38.000 -0.122 0.000 1.407 326 I HN -0.043 nan 8.210 nan 0.000 0.501 327 P HA 0.032 nan 4.420 nan 0.000 0.268 327 P C -0.714 176.536 177.300 -0.083 0.000 1.205 327 P CA -0.015 63.055 63.100 -0.051 0.000 0.771 327 P CB 0.991 32.656 31.700 -0.059 0.000 0.858 328 V N 2.839 122.684 119.914 -0.115 0.000 2.347 328 V HA 0.529 4.649 4.120 0.001 0.000 0.280 328 V C 0.585 176.668 176.094 -0.018 0.000 1.021 328 V CA -0.690 61.538 62.300 -0.120 0.000 0.847 328 V CB 0.931 32.579 31.823 -0.291 0.000 0.990 328 V HN 0.731 nan 8.190 nan 0.000 0.444 329 A N 3.778 126.599 122.820 0.001 0.000 2.317 329 A HA 0.837 5.157 4.320 0.001 0.000 0.327 329 A C -0.030 177.603 177.584 0.082 0.000 1.178 329 A CA -0.392 51.666 52.037 0.034 0.000 0.817 329 A CB 1.560 20.566 19.000 0.011 0.000 1.189 329 A HN 0.769 nan 8.150 nan 0.000 0.489 330 S N 0.721 116.475 115.700 0.089 0.000 2.566 330 S HA 0.763 5.233 4.470 0.001 0.000 0.298 330 S C 0.351 175.011 174.600 0.100 0.000 1.083 330 S CA 0.143 58.404 58.200 0.101 0.000 0.978 330 S CB 1.203 64.459 63.200 0.093 0.000 1.073 330 S HN 1.328 nan 8.310 nan 0.000 0.491 331 T N 1.519 116.137 114.554 0.106 0.000 2.862 331 T HA 0.374 4.725 4.350 0.001 0.000 0.276 331 T C 1.305 176.046 174.700 0.068 0.000 0.974 331 T CA -0.630 61.529 62.100 0.098 0.000 0.966 331 T CB 0.451 69.380 68.868 0.101 0.000 1.072 331 T HN 0.472 nan 8.240 nan 0.000 0.538 332 L N 0.176 121.448 121.223 0.081 0.000 2.131 332 L HA 0.033 4.373 4.340 0.001 0.000 0.210 332 L C 2.205 179.221 176.870 0.243 0.000 1.092 332 L CA 1.752 56.675 54.840 0.137 0.000 0.759 332 L CB -0.966 41.191 42.059 0.162 0.000 0.903 332 L HN 0.633 nan 8.230 nan 0.000 0.435 333 M N -1.437 118.254 119.600 0.152 0.000 2.447 333 M HA 0.141 4.621 4.480 0.001 0.000 0.264 333 M C 1.946 178.326 176.300 0.132 0.000 1.095 333 M CA 1.042 56.426 55.300 0.141 0.000 1.125 333 M CB -1.492 31.138 32.600 0.050 0.000 1.389 333 M HN 0.379 nan 8.290 nan 0.000 0.459 334 G N 0.019 108.874 108.800 0.092 0.000 3.042 334 G HA2 0.221 4.181 3.960 0.001 0.000 0.212 334 G HA3 0.221 4.181 3.960 0.001 0.000 0.212 334 G C 0.692 175.633 174.900 0.069 0.000 1.166 334 G CA -0.364 44.781 45.100 0.075 0.000 0.767 334 G HN 0.283 nan 8.290 nan 0.000 0.546 335 L N 0.641 121.872 121.223 0.012 0.000 2.615 335 L HA 0.212 4.552 4.340 0.001 0.000 0.284 335 L C 1.692 178.567 176.870 0.007 0.000 1.237 335 L CA 1.288 56.075 54.840 -0.088 0.000 0.905 335 L CB 0.270 42.015 42.059 -0.524 0.000 1.149 335 L HN 0.362 nan 8.230 nan 0.000 0.499 336 G N 1.578 110.444 108.800 0.110 0.000 2.234 336 G HA2 -0.319 3.642 3.960 0.001 0.000 0.235 336 G HA3 -0.319 3.642 3.960 0.001 0.000 0.235 336 G C 1.057 176.045 174.900 0.146 0.000 0.997 336 G CA 0.416 45.617 45.100 0.169 0.000 0.623 336 G HN 0.598 nan 8.290 nan 0.000 0.514 337 S N -0.936 114.851 115.700 0.144 0.000 2.370 337 S HA 0.039 4.509 4.470 0.001 0.000 0.226 337 S C 0.689 175.422 174.600 0.222 0.000 1.033 337 S CA 1.542 59.836 58.200 0.157 0.000 1.011 337 S CB -0.047 63.238 63.200 0.141 0.000 0.852 337 S HN 0.805 nan 8.310 nan 0.000 0.457 338 Y N 3.076 123.425 120.300 0.082 0.000 2.338 338 Y HA 0.404 4.954 4.550 0.001 0.000 0.333 338 Y C -2.406 173.544 175.900 0.084 0.000 0.968 338 Y CA -3.282 54.865 58.100 0.079 0.000 1.123 338 Y CB 0.876 39.377 38.460 0.068 0.000 1.165 338 Y HN -0.001 nan 8.280 nan 0.000 0.452 342 D N 1.128 121.511 120.400 -0.030 0.000 2.803 342 D HA 0.059 4.699 4.640 0.001 0.000 0.218 342 D C 0.776 177.086 176.300 0.016 0.000 1.245 342 D CA -0.488 53.491 54.000 -0.035 0.000 0.821 342 D CB 2.007 42.723 40.800 -0.140 0.000 1.626 342 D HN 0.339 nan 8.370 nan 0.000 0.487 343 E N 2.058 122.274 120.200 0.027 0.000 2.204 343 E HA -0.118 4.233 4.350 0.001 0.000 0.195 343 E C 1.451 178.065 176.600 0.023 0.000 0.990 343 E CA 0.746 57.154 56.400 0.013 0.000 0.821 343 E CB 0.072 29.778 29.700 0.011 0.000 0.750 343 E HN 0.408 nan 8.360 nan 0.000 0.477 344 L N 1.269 122.553 121.223 0.102 0.000 2.492 344 L HA 0.062 4.402 4.340 0.001 0.000 0.223 344 L C 1.288 178.223 176.870 0.109 0.000 1.132 344 L CA -0.127 54.779 54.840 0.109 0.000 0.850 344 L CB 0.250 42.408 42.059 0.166 0.000 0.966 344 L HN 0.027 nan 8.230 nan 0.000 0.454 345 S N -0.059 115.727 115.700 0.144 0.000 2.510 345 S HA 0.191 4.661 4.470 0.001 0.000 0.279 345 S C 0.806 175.286 174.600 -0.201 0.000 1.284 345 S CA -0.408 57.812 58.200 0.034 0.000 1.059 345 S CB 0.673 63.849 63.200 -0.040 0.000 0.901 345 S HN 0.220 nan 8.310 nan 0.000 0.491 346 L N 4.388 125.552 121.223 -0.098 0.000 2.640 346 L HA 0.323 4.664 4.340 0.001 0.000 0.230 346 L C 0.522 177.411 176.870 0.032 0.000 1.123 346 L CA -0.125 54.753 54.840 0.062 0.000 0.900 346 L CB -0.628 41.479 42.059 0.080 0.000 1.146 346 L HN 0.922 nan 8.230 nan 0.000 0.484 347 H N -2.199 116.959 119.070 0.147 0.000 1.452 347 H HA -0.281 4.275 4.556 0.001 0.000 0.090 347 H C 0.236 175.564 175.328 0.000 0.000 1.290 347 H CA 0.751 56.836 56.048 0.062 0.000 1.901 347 H CB -0.704 29.080 29.762 0.037 0.000 2.257 347 H HN 0.111 nan 8.280 nan 0.000 0.961 348 M N 1.685 121.354 119.600 0.115 0.000 2.242 348 M HA 0.333 4.813 4.480 0.001 0.000 0.344 348 M C -0.668 175.630 176.300 -0.003 0.000 1.140 348 M CA -0.789 54.533 55.300 0.036 0.000 1.160 348 M CB 0.362 32.966 32.600 0.007 0.000 1.491 348 M HN 0.411 nan 8.290 nan 0.000 0.459 349 L N 2.984 124.210 121.223 0.004 0.000 2.299 349 L HA 1.115 5.455 4.340 0.001 0.000 0.268 349 L C 0.100 176.967 176.870 -0.006 0.000 1.012 349 L CA -0.345 54.484 54.840 -0.018 0.000 0.816 349 L CB -0.053 41.979 42.059 -0.045 0.000 1.355 349 L HN 0.908 nan 8.230 nan 0.000 0.457 350 G N -0.911 107.884 108.800 -0.008 0.000 2.466 350 G HA2 -0.157 3.803 3.960 0.001 0.000 0.316 350 G HA3 -0.157 3.803 3.960 0.001 0.000 0.316 350 G C 0.342 175.232 174.900 -0.016 0.000 1.270 350 G CA 0.107 45.194 45.100 -0.021 0.000 0.982 350 G HN 1.142 nan 8.290 nan 0.000 0.506 351 M N -0.819 118.744 119.600 -0.061 0.000 2.103 351 M HA -0.156 4.324 4.480 0.001 0.000 0.255 351 M C 1.394 177.534 176.300 -0.266 0.000 1.074 351 M CA 2.562 57.760 55.300 -0.170 0.000 1.090 351 M CB -0.233 32.239 32.600 -0.214 0.000 1.325 351 M HN 0.576 nan 8.290 nan 0.000 0.403 352 H N -0.368 118.730 119.070 0.048 0.000 2.467 352 H HA 0.379 4.935 4.556 0.001 0.000 0.275 352 H C 0.321 175.662 175.328 0.022 0.000 1.131 352 H CA 0.256 56.331 56.048 0.045 0.000 0.989 352 H CB -0.472 29.310 29.762 0.034 0.000 1.696 352 H HN 0.429 nan 8.280 nan 0.000 0.574 353 G N 0.791 109.643 108.800 0.085 0.000 2.562 353 G HA2 0.229 4.189 3.960 0.001 0.000 0.275 353 G HA3 0.229 4.189 3.960 0.001 0.000 0.275 353 G C 0.332 175.221 174.900 -0.017 0.000 1.196 353 G CA -0.383 44.730 45.100 0.022 0.000 0.908 353 G HN 0.239 nan 8.290 nan 0.000 0.524 354 T N -1.839 112.625 114.554 -0.150 0.000 2.926 354 T HA 0.090 4.440 4.350 0.001 0.000 0.307 354 T C 1.541 176.103 174.700 -0.231 0.000 1.059 354 T CA -0.252 61.654 62.100 -0.324 0.000 1.122 354 T CB 1.292 69.582 68.868 -0.964 0.000 0.972 354 T HN 0.209 nan 8.240 nan 0.000 0.545 355 V N 2.955 122.839 119.914 -0.049 0.000 2.392 355 V HA -0.182 3.939 4.120 0.001 0.000 0.249 355 V C 2.189 178.384 176.094 0.168 0.000 1.059 355 V CA 2.160 64.561 62.300 0.168 0.000 1.051 355 V CB -1.384 30.582 31.823 0.237 0.000 0.658 355 V HN 1.055 nan 8.190 nan 0.000 0.455 356 Y N 0.487 120.857 120.300 0.115 0.000 2.314 356 Y HA 0.140 4.690 4.550 0.001 0.000 0.293 356 Y C 2.420 178.348 175.900 0.047 0.000 1.129 356 Y CA 0.917 59.038 58.100 0.035 0.000 1.201 356 Y CB -1.193 37.253 38.460 -0.023 0.000 0.999 356 Y HN 0.073 nan 8.280 nan 0.000 0.541 357 A N 1.647 124.364 122.820 -0.171 0.000 1.873 357 A HA -0.198 4.123 4.320 0.001 0.000 0.215 357 A C 2.057 179.596 177.584 -0.074 0.000 1.186 357 A CA 1.821 53.806 52.037 -0.087 0.000 0.616 357 A CB -0.829 18.088 19.000 -0.138 0.000 0.823 357 A HN 0.530 nan 8.150 nan 0.000 0.442 358 N N -1.540 117.127 118.700 -0.054 0.000 2.223 358 N HA -0.158 4.582 4.740 0.001 0.000 0.185 358 N C 1.544 176.789 175.510 -0.442 0.000 1.016 358 N CA 1.559 54.557 53.050 -0.088 0.000 0.863 358 N CB -0.507 38.087 38.487 0.179 0.000 0.983 358 N HN 0.696 nan 8.380 nan 0.000 0.429 359 Y N 1.800 121.757 120.300 -0.572 0.000 2.089 359 Y HA -0.141 4.409 4.550 0.001 0.000 0.282 359 Y C 2.382 178.058 175.900 -0.374 0.000 1.139 359 Y CA 1.846 59.472 58.100 -0.791 0.000 1.123 359 Y CB -0.598 37.682 38.460 -0.299 0.000 0.980 359 Y HN 0.055 nan 8.280 nan 0.000 0.493 360 A N -0.142 122.655 122.820 -0.039 0.000 1.884 360 A HA -0.269 4.051 4.320 0.001 0.000 0.219 360 A C 2.315 179.894 177.584 -0.009 0.000 1.197 360 A CA 2.833 54.894 52.037 0.041 0.000 0.637 360 A CB -1.530 17.482 19.000 0.021 0.000 0.827 360 A HN 0.389 nan 8.150 nan 0.000 0.450 361 V N -0.106 119.692 119.914 -0.193 0.000 2.343 361 V HA -0.247 3.873 4.120 0.001 0.000 0.247 361 V C 2.562 178.378 176.094 -0.463 0.000 1.051 361 V CA 2.435 64.535 62.300 -0.333 0.000 1.036 361 V CB -0.847 30.728 31.823 -0.413 0.000 0.654 361 V HN 0.749 nan 8.190 nan 0.000 0.451 362 E N -0.018 119.831 120.200 -0.585 0.000 2.118 362 E HA -0.220 4.130 4.350 0.001 0.000 0.195 362 E C 1.822 177.963 176.600 -0.765 0.000 0.992 362 E CA 1.503 57.459 56.400 -0.740 0.000 0.804 362 E CB -0.133 28.910 29.700 -1.095 0.000 0.741 362 E HN 0.729 nan 8.360 nan 0.000 0.458 363 H N -0.611 118.220 119.070 -0.398 0.000 2.528 363 H HA 0.265 4.822 4.556 0.001 0.000 0.282 363 H C 0.030 175.193 175.328 -0.275 0.000 1.097 363 H CA 0.524 56.396 56.048 -0.294 0.000 1.121 363 H CB -0.049 29.516 29.762 -0.328 0.000 1.590 363 H HN 0.103 nan 8.280 nan 0.000 0.553 364 S N 1.086 116.667 115.700 -0.199 0.000 2.592 364 S HA 0.062 4.532 4.470 0.001 0.000 0.271 364 S C 0.940 175.332 174.600 -0.346 0.000 1.326 364 S CA -0.365 57.636 58.200 -0.330 0.000 1.024 364 S CB 1.598 64.673 63.200 -0.208 0.000 0.921 364 S HN 0.323 nan 8.310 nan 0.000 0.527 365 D N -0.234 119.925 120.400 -0.402 0.000 2.407 365 D HA 0.198 4.839 4.640 0.001 0.000 0.208 365 D C -0.064 176.074 176.300 -0.269 0.000 1.083 365 D CA -0.143 53.676 54.000 -0.303 0.000 0.844 365 D CB -0.132 40.492 40.800 -0.293 0.000 0.967 365 D HN 0.378 nan 8.370 nan 0.000 0.506 366 L N 0.882 121.938 121.223 -0.279 0.000 2.555 366 L HA 0.432 4.773 4.340 0.001 0.000 0.264 366 L C -2.050 174.708 176.870 -0.187 0.000 0.972 366 L CA -0.968 53.742 54.840 -0.217 0.000 0.876 366 L CB 1.839 43.783 42.059 -0.191 0.000 1.216 366 L HN -0.027 nan 8.230 nan 0.000 0.415 367 L N 5.887 127.025 121.223 -0.142 0.000 2.262 367 L HA 0.541 4.881 4.340 0.001 0.000 0.288 367 L C -1.101 175.744 176.870 -0.042 0.000 1.035 367 L CA -0.063 54.721 54.840 -0.094 0.000 0.820 367 L CB 1.043 43.060 42.059 -0.071 0.000 1.204 367 L HN 0.578 nan 8.230 nan 0.000 0.424 368 L N 6.463 127.595 121.223 -0.152 0.000 2.352 368 L HA 0.470 4.810 4.340 0.001 0.000 0.272 368 L C 0.489 177.078 176.870 -0.468 0.000 1.109 368 L CA -0.480 54.153 54.840 -0.345 0.000 0.952 368 L CB 0.684 42.332 42.059 -0.685 0.000 1.314 368 L HN 0.784 nan 8.230 nan 0.000 0.427 369 A N 4.126 126.915 122.820 -0.052 0.000 2.539 369 A HA 0.497 4.817 4.320 0.001 0.000 0.306 369 A C -0.568 177.134 177.584 0.197 0.000 1.392 369 A CA -0.130 51.843 52.037 -0.107 0.000 1.060 369 A CB -0.445 18.528 19.000 -0.045 0.000 1.134 369 A HN 0.404 nan 8.150 nan 0.000 0.542 370 F N 1.441 121.282 119.950 -0.182 0.000 2.361 370 F HA 0.528 5.055 4.527 0.001 0.000 0.364 370 F C 1.249 176.961 175.800 -0.148 0.000 1.117 370 F CA -0.671 57.255 58.000 -0.123 0.000 1.071 370 F CB 0.930 39.838 39.000 -0.153 0.000 1.188 370 F HN 0.842 nan 8.300 nan 0.000 0.464 371 G N 2.099 110.962 108.800 0.105 0.000 2.246 371 G HA2 -0.054 3.907 3.960 0.001 0.000 0.273 371 G HA3 -0.054 3.907 3.960 0.001 0.000 0.273 371 G C -0.402 174.469 174.900 -0.048 0.000 1.055 371 G CA 0.236 45.351 45.100 0.025 0.000 0.851 371 G HN 0.968 nan 8.290 nan 0.000 0.500 372 V N -3.727 116.124 119.914 -0.104 0.000 3.113 372 V HA 0.968 5.089 4.120 0.001 0.000 0.316 372 V C 0.615 176.694 176.094 -0.025 0.000 1.125 372 V CA -0.630 61.507 62.300 -0.272 0.000 1.026 372 V CB 1.911 33.128 31.823 -1.010 0.000 1.080 372 V HN 0.710 nan 8.190 nan 0.000 0.444 373 R N 0.217 120.713 120.500 -0.006 0.000 2.659 373 R HA 0.421 4.762 4.340 0.001 0.000 0.418 373 R C -0.784 175.682 176.300 0.277 0.000 1.076 373 R CA -0.426 55.791 56.100 0.195 0.000 1.093 373 R CB -0.361 30.015 30.300 0.128 0.000 1.400 373 R HN 0.619 nan 8.270 nan 0.000 0.583 374 F N 1.709 121.685 119.950 0.043 0.000 2.783 374 F HA -0.274 4.254 4.527 0.001 0.000 0.222 374 F C 0.309 176.064 175.800 -0.075 0.000 1.028 374 F CA 1.174 59.177 58.000 0.005 0.000 0.862 374 F CB -1.592 37.400 39.000 -0.014 0.000 0.744 374 F HN 0.420 nan 8.300 nan 0.000 0.850 375 D N 1.367 121.779 120.400 0.020 0.000 2.362 375 D HA 0.034 4.674 4.640 0.001 0.000 0.242 375 D C 1.470 177.723 176.300 -0.079 0.000 1.132 375 D CA 0.410 54.402 54.000 -0.014 0.000 0.907 375 D CB 0.647 41.438 40.800 -0.016 0.000 1.195 375 D HN 0.433 nan 8.370 nan 0.000 0.429 376 D N 2.376 122.743 120.400 -0.055 0.000 2.218 376 D HA -0.211 4.430 4.640 0.001 0.000 0.204 376 D C 1.396 177.648 176.300 -0.081 0.000 0.976 376 D CA 0.433 54.391 54.000 -0.070 0.000 0.853 376 D CB 0.107 40.884 40.800 -0.038 0.000 0.939 376 D HN 0.163 nan 8.370 nan 0.000 0.481 377 R N 0.413 120.873 120.500 -0.066 0.000 2.148 377 R HA 0.036 4.376 4.340 0.001 0.000 0.227 377 R C 2.269 178.517 176.300 -0.086 0.000 1.103 377 R CA 0.356 56.423 56.100 -0.055 0.000 0.983 377 R CB -0.517 29.765 30.300 -0.029 0.000 0.874 377 R HN 0.208 nan 8.270 nan 0.000 0.451 378 V N -0.818 119.007 119.914 -0.147 0.000 2.795 378 V HA -0.064 4.056 4.120 0.001 0.000 0.243 378 V C 2.046 177.895 176.094 -0.407 0.000 1.069 378 V CA 1.729 63.894 62.300 -0.226 0.000 1.089 378 V CB 0.037 31.711 31.823 -0.248 0.000 0.756 378 V HN 0.479 nan 8.190 nan 0.000 0.471 379 T N -2.482 111.737 114.554 -0.559 0.000 2.894 379 T HA 0.319 4.669 4.350 0.001 0.000 0.258 379 T C 1.552 176.128 174.700 -0.208 0.000 1.043 379 T CA 1.373 63.015 62.100 -0.762 0.000 1.141 379 T CB 0.208 68.646 68.868 -0.717 0.000 0.873 379 T HN 0.933 nan 8.240 nan 0.000 0.449 380 G N 2.115 110.838 108.800 -0.127 0.000 2.543 380 G HA2 -0.317 3.643 3.960 0.001 0.000 0.286 380 G HA3 -0.317 3.643 3.960 0.001 0.000 0.286 380 G C -0.156 174.735 174.900 -0.015 0.000 1.153 380 G CA 0.165 45.243 45.100 -0.036 0.000 0.968 380 G HN 0.815 nan 8.290 nan 0.000 0.544 381 K N 1.353 121.769 120.400 0.026 0.000 2.292 381 K HA 0.532 4.852 4.320 0.001 0.000 0.290 381 K C 1.869 178.512 176.600 0.072 0.000 1.083 381 K CA -0.302 56.006 56.287 0.036 0.000 0.918 381 K CB 0.253 32.776 32.500 0.039 0.000 1.089 381 K HN 0.417 nan 8.250 nan 0.000 0.473 382 L N 3.310 124.567 121.223 0.056 0.000 2.021 382 L HA -0.293 4.047 4.340 0.001 0.000 0.215 382 L C 1.582 178.531 176.870 0.131 0.000 1.074 382 L CA 1.507 56.406 54.840 0.099 0.000 0.760 382 L CB -0.245 41.846 42.059 0.054 0.000 0.889 382 L HN 0.686 nan 8.230 nan 0.000 0.433 383 E N -0.140 120.107 120.200 0.078 0.000 2.160 383 E HA -0.184 4.166 4.350 0.001 0.000 0.195 383 E C 2.064 178.704 176.600 0.067 0.000 0.991 383 E CA 1.288 57.725 56.400 0.062 0.000 0.810 383 E CB -0.288 29.434 29.700 0.036 0.000 0.742 383 E HN 0.513 nan 8.360 nan 0.000 0.466 384 A N -0.011 122.860 122.820 0.084 0.000 2.132 384 A HA 0.087 4.408 4.320 0.001 0.000 0.213 384 A C 0.513 178.144 177.584 0.079 0.000 1.154 384 A CA -0.374 51.702 52.037 0.065 0.000 0.753 384 A CB -0.236 18.803 19.000 0.066 0.000 0.826 384 A HN 0.235 nan 8.150 nan 0.000 0.469 385 F N 1.385 121.322 119.950 -0.020 0.000 2.541 385 F HA 0.381 4.908 4.527 0.001 0.000 0.378 385 F C 1.171 176.950 175.800 -0.035 0.000 1.068 385 F CA -0.320 57.658 58.000 -0.037 0.000 1.199 385 F CB 0.153 39.154 39.000 0.001 0.000 1.091 385 F HN 0.457 nan 8.300 nan 0.000 0.555 386 A N 3.654 126.046 122.820 -0.713 0.000 2.665 386 A HA -0.309 4.011 4.320 0.001 0.000 0.301 386 A C 1.767 179.203 177.584 -0.245 0.000 1.509 386 A CA 1.121 52.820 52.037 -0.564 0.000 0.789 386 A CB -2.336 16.237 19.000 -0.710 0.000 1.024 386 A HN 1.366 nan 8.150 nan 0.000 0.460 387 S N -1.543 114.058 115.700 -0.165 0.000 2.442 387 S HA 0.077 4.547 4.470 0.001 0.000 0.236 387 S C 1.440 175.998 174.600 -0.069 0.000 1.007 387 S CA 1.489 59.647 58.200 -0.070 0.000 0.965 387 S CB -0.390 62.782 63.200 -0.046 0.000 0.773 387 S HN 1.988 nan 8.310 nan 0.000 0.504 388 R N 0.423 120.850 120.500 -0.121 0.000 2.831 388 R HA 0.834 5.174 4.340 0.001 0.000 0.337 388 R C 0.180 176.394 176.300 -0.143 0.000 1.200 388 R CA 0.151 56.187 56.100 -0.106 0.000 1.088 388 R CB -0.805 29.434 30.300 -0.101 0.000 1.397 388 R HN 0.840 nan 8.270 nan 0.000 0.581 389 A N 0.014 122.743 122.820 -0.153 0.000 2.610 389 A HA 0.648 4.968 4.320 0.001 0.000 0.291 389 A C -1.264 176.121 177.584 -0.332 0.000 1.086 389 A CA -0.898 51.005 52.037 -0.222 0.000 0.677 389 A CB 1.050 19.904 19.000 -0.244 0.000 1.278 389 A HN 0.309 nan 8.150 nan 0.000 0.414 390 K N 1.173 121.294 120.400 -0.465 0.000 2.349 390 K HA 0.422 4.742 4.320 0.001 0.000 0.288 390 K C -0.952 175.395 176.600 -0.422 0.000 1.058 390 K CA 0.381 56.167 56.287 -0.835 0.000 0.953 390 K CB 0.468 32.691 32.500 -0.461 0.000 0.997 390 K HN 0.501 nan 8.250 nan 0.000 0.477 391 I N 3.685 124.096 120.570 -0.266 0.000 2.315 391 I HA 0.136 4.306 4.170 0.001 0.000 0.291 391 I C -0.316 175.922 176.117 0.202 0.000 1.006 391 I CA -0.958 60.409 61.300 0.110 0.000 1.265 391 I CB 1.358 39.515 38.000 0.262 0.000 1.387 391 I HN 0.182 nan 8.210 nan 0.000 0.475 392 V N 6.348 126.382 119.914 0.201 0.000 2.370 392 V HA 0.268 4.389 4.120 0.001 0.000 0.283 392 V C -0.280 176.046 176.094 0.385 0.000 1.023 392 V CA -0.505 61.953 62.300 0.262 0.000 0.857 392 V CB 1.186 33.160 31.823 0.252 0.000 0.985 392 V HN 0.666 nan 8.190 nan 0.000 0.443 393 H N 5.520 124.734 119.070 0.239 0.000 2.646 393 H HA 0.596 5.152 4.556 0.001 0.000 0.328 393 H C -1.074 174.344 175.328 0.152 0.000 0.998 393 H CA -0.912 55.290 56.048 0.258 0.000 1.225 393 H CB 1.325 31.232 29.762 0.241 0.000 1.457 393 H HN 0.560 nan 8.280 nan 0.000 0.505 394 I N 5.577 126.321 120.570 0.291 0.000 2.354 394 I HA 0.185 4.355 4.170 0.001 0.000 0.286 394 I C -0.583 175.488 176.117 -0.077 0.000 1.007 394 I CA -0.233 61.045 61.300 -0.035 0.000 1.167 394 I CB 1.282 39.132 38.000 -0.250 0.000 1.320 394 I HN 0.589 nan 8.210 nan 0.000 0.458 395 D N 4.869 125.142 120.400 -0.212 0.000 2.756 395 D HA 0.230 4.871 4.640 0.001 0.000 0.226 395 D C 0.176 176.388 176.300 -0.146 0.000 1.186 395 D CA -0.514 53.382 54.000 -0.173 0.000 0.845 395 D CB 3.065 43.700 40.800 -0.276 0.000 1.610 395 D HN 0.355 nan 8.370 nan 0.000 0.465 396 I N 1.536 122.047 120.570 -0.098 0.000 3.111 396 I HA 0.019 4.190 4.170 0.001 0.000 0.272 396 I C 0.059 176.124 176.117 -0.086 0.000 1.268 396 I CA 0.706 61.952 61.300 -0.091 0.000 1.467 396 I CB -0.021 37.939 38.000 -0.066 0.000 1.087 396 I HN 0.208 nan 8.210 nan 0.000 0.467 397 D N -0.993 119.359 120.400 -0.080 0.000 2.440 397 D HA 0.155 4.795 4.640 0.001 0.000 0.239 397 D C 1.251 177.502 176.300 -0.082 0.000 1.084 397 D CA 0.283 54.245 54.000 -0.064 0.000 0.843 397 D CB 1.497 42.281 40.800 -0.028 0.000 1.097 397 D HN 0.199 nan 8.370 nan 0.000 0.531 398 S N 2.782 118.432 115.700 -0.084 0.000 2.400 398 S HA -0.197 4.273 4.470 0.001 0.000 0.232 398 S C 2.007 176.570 174.600 -0.061 0.000 1.025 398 S CA 0.925 59.074 58.200 -0.085 0.000 0.993 398 S CB -0.231 62.923 63.200 -0.076 0.000 0.808 398 S HN 0.455 nan 8.310 nan 0.000 0.478 399 A N 1.449 124.245 122.820 -0.039 0.000 2.125 399 A HA -0.063 4.257 4.320 0.001 0.000 0.219 399 A C 2.190 179.771 177.584 -0.005 0.000 1.156 399 A CA 1.346 53.371 52.037 -0.019 0.000 0.671 399 A CB -0.375 18.620 19.000 -0.008 0.000 0.794 399 A HN 0.470 nan 8.150 nan 0.000 0.459 400 E N -0.313 119.885 120.200 -0.005 0.000 2.250 400 E HA 0.100 4.450 4.350 0.001 0.000 0.192 400 E C 0.353 176.991 176.600 0.064 0.000 0.986 400 E CA 0.105 56.536 56.400 0.052 0.000 0.849 400 E CB -0.102 29.648 29.700 0.083 0.000 0.797 400 E HN 0.662 nan 8.360 nan 0.000 0.482 401 I N 1.366 121.899 120.570 -0.061 0.000 2.483 401 I HA 0.071 4.241 4.170 0.001 0.000 0.291 401 I C 1.066 177.176 176.117 -0.012 0.000 1.112 401 I CA 0.492 61.743 61.300 -0.082 0.000 1.350 401 I CB -0.094 37.801 38.000 -0.174 0.000 1.419 401 I HN 0.148 nan 8.210 nan 0.000 0.523 402 G N 4.857 113.665 108.800 0.014 0.000 2.131 402 G HA2 -0.279 3.681 3.960 0.001 0.000 0.223 402 G HA3 -0.279 3.681 3.960 0.001 0.000 0.223 402 G C 0.946 175.820 174.900 -0.043 0.000 0.990 402 G CA 0.307 45.382 45.100 -0.042 0.000 0.671 402 G HN 0.682 nan 8.290 nan 0.000 0.521 403 K N -0.258 120.130 120.400 -0.020 0.000 2.007 403 K HA 0.000 4.320 4.320 0.001 0.000 0.206 403 K C 2.104 178.690 176.600 -0.024 0.000 1.047 403 K CA 1.523 57.806 56.287 -0.007 0.000 0.937 403 K CB -0.139 32.379 32.500 0.031 0.000 0.718 403 K HN 0.349 nan 8.250 nan 0.000 0.438 404 N N -0.435 118.238 118.700 -0.045 0.000 2.516 404 N HA 0.021 4.761 4.740 0.001 0.000 0.197 404 N C -0.224 175.223 175.510 -0.104 0.000 1.064 404 N CA 0.354 53.379 53.050 -0.042 0.000 0.866 404 N CB 0.681 39.181 38.487 0.021 0.000 1.255 404 N HN -0.060 nan 8.380 nan 0.000 0.447 405 K N 1.518 121.748 120.400 -0.283 0.000 2.345 405 K HA 0.372 4.693 4.320 0.001 0.000 0.255 405 K C -0.944 175.479 176.600 -0.295 0.000 0.934 405 K CA -0.215 55.874 56.287 -0.330 0.000 0.801 405 K CB 1.935 34.053 32.500 -0.635 0.000 1.137 405 K HN -0.087 nan 8.250 nan 0.000 0.424 406 T N 4.856 119.318 114.554 -0.154 0.000 2.728 406 T HA 0.326 4.676 4.350 0.001 0.000 0.296 406 T C -2.222 172.426 174.700 -0.087 0.000 0.940 406 T CA -1.390 60.642 62.100 -0.113 0.000 1.013 406 T CB 0.846 69.655 68.868 -0.098 0.000 0.912 406 T HN 0.227 nan 8.240 nan 0.000 0.484 407 P HA 0.334 nan 4.420 nan 0.000 0.274 407 P C 0.233 177.577 177.300 0.072 0.000 1.237 407 P CA -0.530 62.632 63.100 0.102 0.000 0.793 407 P CB 0.724 32.515 31.700 0.152 0.000 0.977 408 H N -1.167 117.931 119.070 0.046 0.000 2.451 408 H HA 0.216 4.773 4.556 0.001 0.000 0.294 408 H C 0.204 175.566 175.328 0.056 0.000 1.028 408 H CA 0.680 56.751 56.048 0.039 0.000 1.349 408 H CB 0.185 29.967 29.762 0.033 0.000 1.444 408 H HN 0.007 nan 8.280 nan 0.000 0.538 409 V N 0.776 120.823 119.914 0.223 0.000 2.760 409 V HA 0.487 4.608 4.120 0.001 0.000 0.309 409 V C -0.565 175.628 176.094 0.165 0.000 1.077 409 V CA -0.731 61.673 62.300 0.174 0.000 0.910 409 V CB 2.058 33.983 31.823 0.170 0.000 1.008 409 V HN 0.413 nan 8.190 nan 0.000 0.424 410 S N 3.069 118.842 115.700 0.123 0.000 2.627 410 S HA 0.928 5.398 4.470 0.001 0.000 0.283 410 S C -1.338 173.245 174.600 -0.028 0.000 1.127 410 S CA -0.783 57.454 58.200 0.061 0.000 0.863 410 S CB 2.325 65.533 63.200 0.013 0.000 1.121 410 S HN 0.594 nan 8.310 nan 0.000 0.479 411 V N 0.892 120.746 119.914 -0.101 0.000 2.577 411 V HA 0.372 4.492 4.120 0.001 0.000 0.294 411 V C -0.680 175.294 176.094 -0.200 0.000 1.052 411 V CA -0.854 61.324 62.300 -0.203 0.000 0.891 411 V CB 1.214 32.934 31.823 -0.171 0.000 1.017 411 V HN 1.195 nan 8.190 nan 0.000 0.436 412 C N 5.423 124.598 119.300 -0.209 0.000 2.192 412 C HA 0.867 5.327 4.460 0.001 0.000 0.337 412 C C 0.851 175.744 174.990 -0.161 0.000 1.103 412 C CA 0.800 59.711 59.018 -0.177 0.000 1.581 412 C CB -1.580 26.069 27.740 -0.153 0.000 2.070 412 C HN 1.213 nan 8.230 nan 0.000 0.485 413 G N 4.148 112.856 108.800 -0.153 0.000 2.428 413 G HA2 0.303 4.263 3.960 0.001 0.000 0.304 413 G HA3 0.303 4.263 3.960 0.001 0.000 0.304 413 G C -1.768 173.057 174.900 -0.125 0.000 1.303 413 G CA -0.418 44.604 45.100 -0.130 0.000 0.825 413 G HN 0.480 nan 8.290 nan 0.000 0.484 414 D N 0.280 120.617 120.400 -0.105 0.000 2.358 414 D HA 0.178 4.819 4.640 0.001 0.000 0.258 414 D C 1.562 177.784 176.300 -0.130 0.000 1.223 414 D CA 0.024 53.967 54.000 -0.096 0.000 0.886 414 D CB 1.560 42.320 40.800 -0.067 0.000 1.120 414 D HN 0.250 nan 8.370 nan 0.000 0.482 415 V N 5.239 125.062 119.914 -0.152 0.000 2.469 415 V HA -0.228 3.893 4.120 0.001 0.000 0.251 415 V C 2.295 178.271 176.094 -0.197 0.000 1.064 415 V CA 2.231 64.389 62.300 -0.237 0.000 1.066 415 V CB -0.316 31.376 31.823 -0.218 0.000 0.667 415 V HN 0.643 nan 8.190 nan 0.000 0.461 416 K N -0.573 119.761 120.400 -0.110 0.000 2.063 416 K HA -0.164 4.156 4.320 0.001 0.000 0.208 416 K C 2.065 178.626 176.600 -0.065 0.000 1.048 416 K CA 2.032 58.279 56.287 -0.067 0.000 0.928 416 K CB -0.231 32.250 32.500 -0.031 0.000 0.713 416 K HN 0.538 nan 8.250 nan 0.000 0.442 417 L N 0.245 121.425 121.223 -0.071 0.000 2.109 417 L HA -0.093 4.247 4.340 0.001 0.000 0.207 417 L C 2.649 179.475 176.870 -0.074 0.000 1.086 417 L CA 1.005 55.812 54.840 -0.055 0.000 0.760 417 L CB -0.533 41.496 42.059 -0.049 0.000 0.910 417 L HN 0.278 nan 8.230 nan 0.000 0.437 418 A N 0.327 123.066 122.820 -0.134 0.000 1.902 418 A HA -0.176 4.145 4.320 0.001 0.000 0.217 418 A C 2.262 179.755 177.584 -0.152 0.000 1.181 418 A CA 1.449 53.385 52.037 -0.168 0.000 0.623 418 A CB -0.677 18.146 19.000 -0.295 0.000 0.818 418 A HN 0.341 nan 8.150 nan 0.000 0.443 419 L N -0.875 120.236 121.223 -0.186 0.000 2.046 419 L HA -0.258 4.082 4.340 0.001 0.000 0.208 419 L C 2.929 179.825 176.870 0.042 0.000 1.077 419 L CA 1.645 56.423 54.840 -0.103 0.000 0.747 419 L CB -0.592 41.401 42.059 -0.110 0.000 0.896 419 L HN 0.490 nan 8.230 nan 0.000 0.432 420 Q N -0.426 119.386 119.800 0.019 0.000 2.124 420 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 420 Q C 2.285 178.318 176.000 0.054 0.000 0.977 420 Q CA 1.430 57.261 55.803 0.046 0.000 0.850 420 Q CB -0.421 28.333 28.738 0.026 0.000 0.901 420 Q HN 0.624 nan 8.270 nan 0.000 0.429 421 G N 0.970 109.790 108.800 0.034 0.000 2.433 421 G HA2 -0.236 3.724 3.960 0.001 0.000 0.216 421 G HA3 -0.236 3.724 3.960 0.001 0.000 0.216 421 G C 1.415 176.361 174.900 0.077 0.000 1.186 421 G CA 0.735 45.861 45.100 0.042 0.000 0.779 421 G HN 0.170 nan 8.290 nan 0.000 0.543 422 M N 0.663 120.329 119.600 0.110 0.000 2.213 422 M HA -0.050 4.430 4.480 0.001 0.000 0.263 422 M C 2.356 178.775 176.300 0.198 0.000 1.062 422 M CA 0.911 56.325 55.300 0.189 0.000 1.105 422 M CB -0.405 32.390 32.600 0.326 0.000 1.385 422 M HN 0.117 nan 8.290 nan 0.000 0.417 423 N N 1.000 119.822 118.700 0.204 0.000 2.104 423 N HA -0.126 4.614 4.740 0.001 0.000 0.190 423 N C 1.519 177.084 175.510 0.092 0.000 1.024 423 N CA 1.303 54.448 53.050 0.159 0.000 0.853 423 N CB -0.272 38.309 38.487 0.157 0.000 1.008 423 N HN 0.395 nan 8.380 nan 0.000 0.424 424 K N 0.424 120.871 120.400 0.078 0.000 2.009 424 K HA -0.056 4.264 4.320 0.001 0.000 0.210 424 K C 2.042 178.672 176.600 0.049 0.000 1.049 424 K CA 1.111 57.431 56.287 0.055 0.000 0.929 424 K CB -0.403 32.126 32.500 0.047 0.000 0.714 424 K HN -0.052 nan 8.250 nan 0.000 0.440 425 V N 2.184 122.132 119.914 0.057 0.000 2.282 425 V HA -0.280 3.841 4.120 0.001 0.000 0.249 425 V C 2.306 178.424 176.094 0.040 0.000 1.057 425 V CA 1.786 64.115 62.300 0.050 0.000 1.032 425 V CB -0.558 31.303 31.823 0.063 0.000 0.645 425 V HN 0.289 nan 8.190 nan 0.000 0.447 426 L N -0.481 120.768 121.223 0.043 0.000 2.083 426 L HA -0.192 4.148 4.340 0.001 0.000 0.209 426 L C 2.602 179.475 176.870 0.006 0.000 1.083 426 L CA 1.631 56.478 54.840 0.012 0.000 0.752 426 L CB -0.584 41.463 42.059 -0.020 0.000 0.899 426 L HN 0.420 nan 8.230 nan 0.000 0.433 427 E N -0.239 119.972 120.200 0.019 0.000 2.072 427 E HA -0.153 4.197 4.350 0.001 0.000 0.191 427 E C 1.820 178.428 176.600 0.012 0.000 0.985 427 E CA 0.987 57.396 56.400 0.016 0.000 0.801 427 E CB -0.021 29.694 29.700 0.025 0.000 0.750 427 E HN 0.531 nan 8.360 nan 0.000 0.452 428 N N 1.248 119.958 118.700 0.016 0.000 2.085 428 N HA -0.085 4.655 4.740 0.001 0.000 0.191 428 N C 1.321 176.835 175.510 0.008 0.000 1.058 428 N CA 0.912 53.970 53.050 0.013 0.000 0.849 428 N CB -0.426 38.071 38.487 0.016 0.000 1.038 428 N HN 0.005 nan 8.380 nan 0.000 0.434 429 R N 1.421 121.926 120.500 0.009 0.000 2.389 429 R HA 0.166 4.506 4.340 0.001 0.000 0.210 429 R C 1.559 177.856 176.300 -0.003 0.000 1.157 429 R CA 0.048 56.151 56.100 0.004 0.000 1.169 429 R CB -0.346 29.959 30.300 0.009 0.000 1.004 429 R HN 0.259 nan 8.270 nan 0.000 0.482 430 A N 1.608 124.424 122.820 -0.005 0.000 1.841 430 A HA -0.273 4.047 4.320 0.001 0.000 0.216 430 A C 2.466 180.038 177.584 -0.021 0.000 1.199 430 A CA 2.067 54.095 52.037 -0.015 0.000 0.621 430 A CB -0.910 18.083 19.000 -0.012 0.000 0.835 430 A HN 0.492 nan 8.150 nan 0.000 0.445 431 E N 0.622 120.812 120.200 -0.016 0.000 2.097 431 E HA -0.282 4.068 4.350 0.001 0.000 0.196 431 E C 1.667 178.254 176.600 -0.022 0.000 1.000 431 E CA 1.948 58.337 56.400 -0.019 0.000 0.804 431 E CB -1.150 28.543 29.700 -0.013 0.000 0.740 431 E HN 0.967 nan 8.360 nan 0.000 0.454 432 E N -0.346 119.844 120.200 -0.017 0.000 2.427 432 E HA 0.124 4.474 4.350 0.001 0.000 0.196 432 E C 2.090 178.676 176.600 -0.023 0.000 1.028 432 E CA 0.672 57.061 56.400 -0.017 0.000 0.864 432 E CB -0.058 29.636 29.700 -0.010 0.000 0.813 432 E HN 0.519 nan 8.360 nan 0.000 0.514 433 L N 0.602 121.808 121.223 -0.028 0.000 2.200 433 L HA 0.084 4.424 4.340 0.001 0.000 0.200 433 L C 1.362 178.192 176.870 -0.066 0.000 1.072 433 L CA 0.669 55.486 54.840 -0.038 0.000 0.787 433 L CB -0.328 41.712 42.059 -0.032 0.000 0.957 433 L HN 0.213 nan 8.230 nan 0.000 0.459 434 K N 1.396 121.755 120.400 -0.069 0.000 3.689 434 K HA -0.196 4.124 4.320 0.001 0.000 0.276 434 K C -0.281 176.227 176.600 -0.154 0.000 0.932 434 K CA 0.898 57.130 56.287 -0.091 0.000 0.758 434 K CB -3.065 29.389 32.500 -0.076 0.000 1.500 434 K HN 0.312 nan 8.250 nan 0.000 0.448 435 L N 0.770 121.885 121.223 -0.180 0.000 2.367 435 L HA 0.534 4.875 4.340 0.001 0.000 0.275 435 L C 0.434 177.057 176.870 -0.412 0.000 1.129 435 L CA -0.468 54.166 54.840 -0.344 0.000 0.839 435 L CB 1.238 43.159 42.059 -0.229 0.000 1.133 435 L HN 0.646 nan 8.230 nan 0.000 0.453 436 D N 2.807 122.807 120.400 -0.668 0.000 2.470 436 D HA 0.243 4.883 4.640 0.001 0.000 0.233 436 D C -0.652 175.335 176.300 -0.522 0.000 1.372 436 D CA -0.351 53.386 54.000 -0.438 0.000 0.994 436 D CB 0.729 41.397 40.800 -0.220 0.000 1.377 436 D HN 0.228 nan 8.370 nan 0.000 0.586 437 F N 1.631 121.609 119.950 0.046 0.000 2.772 437 F HA 0.334 4.862 4.527 0.001 0.000 0.302 437 F C 2.060 177.936 175.800 0.127 0.000 1.136 437 F CA -0.590 57.471 58.000 0.101 0.000 1.322 437 F CB 1.067 40.155 39.000 0.146 0.000 0.967 437 F HN 0.499 nan 8.300 nan 0.000 0.513 438 G N 0.488 109.387 108.800 0.164 0.000 2.469 438 G HA2 -0.229 3.731 3.960 0.001 0.000 0.220 438 G HA3 -0.229 3.731 3.960 0.001 0.000 0.220 438 G C 1.703 176.685 174.900 0.137 0.000 1.136 438 G CA 1.342 46.515 45.100 0.121 0.000 0.759 438 G HN 0.261 nan 8.290 nan 0.000 0.562 439 V N -0.108 119.901 119.914 0.157 0.000 2.343 439 V HA -0.165 3.956 4.120 0.001 0.000 0.247 439 V C 2.255 178.502 176.094 0.255 0.000 1.051 439 V CA 1.842 64.240 62.300 0.163 0.000 1.036 439 V CB -0.649 31.260 31.823 0.144 0.000 0.654 439 V HN 0.685 nan 8.190 nan 0.000 0.451 440 W N 1.075 122.430 121.300 0.092 0.000 2.379 440 W HA -0.175 4.485 4.660 0.001 0.000 0.307 440 W C 2.715 179.275 176.519 0.068 0.000 1.200 440 W CA 1.326 58.719 57.345 0.081 0.000 1.297 440 W CB -0.130 29.384 29.460 0.090 0.000 1.140 440 W HN 0.132 nan 8.180 nan 0.000 0.507 441 R N 0.249 120.803 120.500 0.091 0.000 2.117 441 R HA -0.218 4.122 4.340 0.001 0.000 0.243 441 R C 1.734 177.962 176.300 -0.120 0.000 1.143 441 R CA 2.084 58.127 56.100 -0.095 0.000 0.968 441 R CB -0.651 29.662 30.300 0.022 0.000 0.863 441 R HN 0.245 nan 8.270 nan 0.000 0.444 442 N N 0.325 119.005 118.700 -0.033 0.000 2.216 442 N HA -0.142 4.599 4.740 0.001 0.000 0.183 442 N C 1.551 177.018 175.510 -0.073 0.000 1.017 442 N CA 0.836 53.860 53.050 -0.042 0.000 0.861 442 N CB -0.029 38.460 38.487 0.003 0.000 0.986 442 N HN 0.276 nan 8.380 nan 0.000 0.428 443 E N 0.374 120.543 120.200 -0.052 0.000 2.153 443 E HA -0.138 4.212 4.350 0.001 0.000 0.194 443 E C 1.486 177.970 176.600 -0.193 0.000 0.988 443 E CA 0.787 57.157 56.400 -0.050 0.000 0.811 443 E CB 0.030 29.790 29.700 0.100 0.000 0.746 443 E HN 0.347 nan 8.360 nan 0.000 0.466 444 L N 0.567 121.586 121.223 -0.339 0.000 2.095 444 L HA -0.082 4.258 4.340 0.001 0.000 0.204 444 L C 2.180 178.888 176.870 -0.270 0.000 1.080 444 L CA 0.469 55.090 54.840 -0.365 0.000 0.759 444 L CB -0.421 41.335 42.059 -0.505 0.000 0.914 444 L HN 0.089 nan 8.230 nan 0.000 0.439 445 N N 0.317 118.884 118.700 -0.222 0.000 2.364 445 N HA -0.137 4.603 4.740 0.001 0.000 0.183 445 N C 1.839 177.250 175.510 -0.166 0.000 1.022 445 N CA 1.643 54.577 53.050 -0.193 0.000 0.883 445 N CB -0.153 38.255 38.487 -0.133 0.000 0.965 445 N HN 0.378 nan 8.380 nan 0.000 0.438 446 V N -1.312 118.515 119.914 -0.145 0.000 2.591 446 V HA -0.031 4.090 4.120 0.001 0.000 0.249 446 V C 2.091 178.124 176.094 -0.102 0.000 1.053 446 V CA 1.061 63.300 62.300 -0.102 0.000 1.068 446 V CB -0.314 31.464 31.823 -0.076 0.000 0.689 446 V HN 0.020 nan 8.190 nan 0.000 0.462 447 Q N 1.130 120.817 119.800 -0.190 0.000 2.083 447 Q HA -0.125 4.215 4.340 0.001 0.000 0.198 447 Q C 2.278 178.251 176.000 -0.045 0.000 0.969 447 Q CA 2.020 57.716 55.803 -0.179 0.000 0.838 447 Q CB -0.385 28.078 28.738 -0.457 0.000 0.900 447 Q HN 0.764 nan 8.270 nan 0.000 0.436 448 K N 0.295 120.539 120.400 -0.260 0.000 2.280 448 K HA -0.140 4.180 4.320 0.001 0.000 0.202 448 K C 1.909 178.359 176.600 -0.250 0.000 1.047 448 K CA 0.877 56.799 56.287 -0.608 0.000 0.942 448 K CB 0.280 32.298 32.500 -0.803 0.000 0.739 448 K HN 0.071 nan 8.250 nan 0.000 0.457 449 Q N -0.484 119.248 119.800 -0.113 0.000 2.349 449 Q HA -0.034 4.307 4.340 0.001 0.000 0.209 449 Q C 2.085 178.091 176.000 0.010 0.000 0.920 449 Q CA 1.193 56.964 55.803 -0.052 0.000 0.901 449 Q CB 0.556 29.259 28.738 -0.058 0.000 1.021 449 Q HN 0.311 nan 8.270 nan 0.000 0.519 450 K N -0.326 120.128 120.400 0.090 0.000 2.243 450 K HA 0.019 4.339 4.320 0.001 0.000 0.201 450 K C 0.530 177.157 176.600 0.046 0.000 1.051 450 K CA 0.809 57.162 56.287 0.109 0.000 0.970 450 K CB 0.120 32.785 32.500 0.274 0.000 0.755 450 K HN 0.099 nan 8.250 nan 0.000 0.465 451 F N 1.163 121.141 119.950 0.046 0.000 2.564 451 F HA 0.285 4.812 4.527 0.001 0.000 0.329 451 F C -2.489 173.443 175.800 0.220 0.000 1.458 451 F CA -3.218 54.855 58.000 0.121 0.000 1.117 451 F CB 1.524 40.612 39.000 0.146 0.000 1.383 451 F HN -0.019 nan 8.300 nan 0.000 0.571 452 P HA 0.226 nan 4.420 nan 0.000 0.278 452 P C -0.116 177.345 177.300 0.268 0.000 1.266 452 P CA -0.415 62.864 63.100 0.299 0.000 0.807 452 P CB 1.792 33.574 31.700 0.138 0.000 1.094 453 L N 1.008 122.384 121.223 0.255 0.000 2.455 453 L HA 0.178 4.518 4.340 0.001 0.000 0.272 453 L C 1.028 178.084 176.870 0.310 0.000 1.174 453 L CA 0.649 55.623 54.840 0.224 0.000 0.869 453 L CB 0.217 42.287 42.059 0.018 0.000 1.130 453 L HN 0.577 nan 8.230 nan 0.000 0.474 454 S N 2.930 118.843 115.700 0.355 0.000 2.588 454 S HA 0.842 5.312 4.470 0.001 0.000 0.275 454 S C -0.877 173.930 174.600 0.345 0.000 1.130 454 S CA -0.826 57.530 58.200 0.260 0.000 0.855 454 S CB 2.257 65.502 63.200 0.076 0.000 1.116 454 S HN 0.451 nan 8.310 nan 0.000 0.472 455 F N -1.004 118.990 119.950 0.073 0.000 2.631 455 F HA 0.806 5.334 4.527 0.001 0.000 0.308 455 F C -0.944 174.815 175.800 -0.068 0.000 1.097 455 F CA -1.063 56.929 58.000 -0.013 0.000 0.952 455 F CB 1.506 40.403 39.000 -0.171 0.000 1.307 455 F HN 0.774 nan 8.300 nan 0.000 0.450 456 K N 1.088 121.536 120.400 0.080 0.000 2.138 456 K HA 0.631 4.951 4.320 0.001 0.000 0.263 456 K C -1.138 175.393 176.600 -0.115 0.000 0.965 456 K CA -0.543 55.642 56.287 -0.169 0.000 0.868 456 K CB 1.767 34.128 32.500 -0.233 0.000 1.083 456 K HN 0.871 nan 8.250 nan 0.000 0.443 457 T N 4.179 118.537 114.554 -0.327 0.000 2.758 457 T HA 0.395 4.745 4.350 0.001 0.000 0.285 457 T C -1.014 173.450 174.700 -0.394 0.000 0.981 457 T CA -0.358 61.625 62.100 -0.194 0.000 0.965 457 T CB 0.080 68.842 68.868 -0.176 0.000 0.927 457 T HN 0.269 nan 8.240 nan 0.000 0.448 458 F N 2.766 122.682 119.950 -0.057 0.000 2.361 458 F HA 0.545 5.073 4.527 0.001 0.000 0.364 458 F C 1.391 177.160 175.800 -0.052 0.000 1.117 458 F CA -0.335 57.633 58.000 -0.054 0.000 1.071 458 F CB 0.694 39.665 39.000 -0.049 0.000 1.188 458 F HN 0.886 nan 8.300 nan 0.000 0.464 459 G N 2.837 111.672 108.800 0.058 0.000 2.629 459 G HA2 -0.322 3.639 3.960 0.001 0.000 0.313 459 G HA3 -0.322 3.639 3.960 0.001 0.000 0.313 459 G C 0.917 175.821 174.900 0.006 0.000 1.217 459 G CA 0.491 45.609 45.100 0.029 0.000 0.994 459 G HN 0.496 nan 8.290 nan 0.000 0.549 460 E N 1.696 121.907 120.200 0.017 0.000 2.501 460 E HA 0.506 4.856 4.350 0.001 0.000 0.201 460 E C 1.372 177.980 176.600 0.013 0.000 1.016 460 E CA 0.606 57.007 56.400 0.001 0.000 0.920 460 E CB 0.301 30.003 29.700 0.003 0.000 1.023 460 E HN 0.885 nan 8.360 nan 0.000 0.474 461 A N 1.191 124.035 122.820 0.040 0.000 2.498 461 A HA 0.171 4.492 4.320 0.001 0.000 0.239 461 A C 0.439 178.037 177.584 0.024 0.000 1.068 461 A CA -0.030 52.033 52.037 0.044 0.000 0.766 461 A CB -0.015 19.027 19.000 0.070 0.000 1.003 461 A HN 0.175 nan 8.150 nan 0.000 0.497 462 I N 3.519 124.098 120.570 0.015 0.000 2.379 462 I HA 0.194 4.364 4.170 0.001 0.000 0.290 462 I C -2.164 173.928 176.117 -0.041 0.000 1.063 462 I CA -1.624 59.675 61.300 -0.002 0.000 1.351 462 I CB 1.190 39.198 38.000 0.013 0.000 1.410 462 I HN 0.372 nan 8.210 nan 0.000 0.505 463 P HA 0.171 nan 4.420 nan 0.000 0.287 463 P C -1.903 175.184 177.300 -0.355 0.000 1.294 463 P CA -1.604 61.374 63.100 -0.203 0.000 0.776 463 P CB 0.568 32.158 31.700 -0.184 0.000 0.889 464 P HA -0.253 nan 4.420 nan 0.000 0.216 464 P C 1.063 177.998 177.300 -0.608 0.000 1.153 464 P CA 1.774 64.600 63.100 -0.456 0.000 0.858 464 P CB 0.180 31.543 31.700 -0.561 0.000 0.789 465 Q N -0.962 118.198 119.800 -1.066 0.000 2.061 465 Q HA -0.206 4.134 4.340 0.001 0.000 0.204 465 Q C 2.342 177.680 176.000 -1.103 0.000 0.984 465 Q CA 1.604 56.569 55.803 -1.397 0.000 0.846 465 Q CB -1.461 26.003 28.738 -2.124 0.000 0.902 465 Q HN 0.313 nan 8.270 nan 0.000 0.421 466 Y N 0.594 120.178 120.300 -1.194 0.000 2.181 466 Y HA -0.205 4.345 4.550 0.001 0.000 0.288 466 Y C 2.183 177.873 175.900 -0.351 0.000 1.146 466 Y CA 1.263 58.927 58.100 -0.727 0.000 1.164 466 Y CB -0.559 37.605 38.460 -0.492 0.000 0.982 466 Y HN 0.114 nan 8.280 nan 0.000 0.515 467 A N 0.359 123.035 122.820 -0.240 0.000 1.883 467 A HA -0.203 4.117 4.320 0.001 0.000 0.217 467 A C 2.298 179.790 177.584 -0.153 0.000 1.186 467 A CA 2.134 54.075 52.037 -0.161 0.000 0.624 467 A CB -1.177 17.781 19.000 -0.071 0.000 0.822 467 A HN 0.544 nan 8.150 nan 0.000 0.444 468 I N -0.863 119.638 120.570 -0.116 0.000 2.286 468 I HA -0.257 3.913 4.170 0.001 0.000 0.248 468 I C 2.540 178.651 176.117 -0.010 0.000 1.115 468 I CA 1.660 62.979 61.300 0.033 0.000 1.392 468 I CB -0.239 37.853 38.000 0.152 0.000 1.065 468 I HN 0.312 nan 8.210 nan 0.000 0.418 469 K N 0.455 120.760 120.400 -0.160 0.000 2.097 469 K HA -0.149 4.171 4.320 0.001 0.000 0.206 469 K C 2.049 178.496 176.600 -0.254 0.000 1.049 469 K CA 1.241 57.420 56.287 -0.181 0.000 0.933 469 K CB 0.049 32.410 32.500 -0.232 0.000 0.717 469 K HN 0.129 nan 8.250 nan 0.000 0.442 470 V N 1.227 120.928 119.914 -0.355 0.000 2.358 470 V HA -0.225 3.895 4.120 0.001 0.000 0.246 470 V C 2.128 178.133 176.094 -0.148 0.000 1.047 470 V CA 1.315 63.433 62.300 -0.304 0.000 1.035 470 V CB -0.355 31.258 31.823 -0.350 0.000 0.658 470 V HN 0.316 nan 8.190 nan 0.000 0.452 471 L N 0.594 121.774 121.223 -0.071 0.000 2.042 471 L HA -0.205 4.136 4.340 0.001 0.000 0.210 471 L C 2.191 179.090 176.870 0.048 0.000 1.076 471 L CA 2.327 57.188 54.840 0.035 0.000 0.749 471 L CB -0.823 41.315 42.059 0.132 0.000 0.893 471 L HN 0.378 nan 8.230 nan 0.000 0.432 472 D N -0.442 119.915 120.400 -0.072 0.000 2.087 472 D HA -0.280 4.360 4.640 0.001 0.000 0.192 472 D C 2.036 178.174 176.300 -0.271 0.000 0.993 472 D CA 1.702 55.436 54.000 -0.443 0.000 0.828 472 D CB -0.084 40.319 40.800 -0.661 0.000 0.968 472 D HN 0.597 nan 8.370 nan 0.000 0.448 473 E N -0.061 120.019 120.200 -0.199 0.000 2.049 473 E HA -0.180 4.170 4.350 0.001 0.000 0.198 473 E C 2.501 179.045 176.600 -0.093 0.000 1.007 473 E CA 0.947 57.262 56.400 -0.141 0.000 0.809 473 E CB -0.213 29.412 29.700 -0.126 0.000 0.749 473 E HN 0.330 nan 8.360 nan 0.000 0.450 474 L N 0.367 121.545 121.223 -0.074 0.000 2.275 474 L HA -0.095 4.245 4.340 0.001 0.000 0.215 474 L C 2.405 179.263 176.870 -0.019 0.000 1.119 474 L CA 1.460 56.274 54.840 -0.043 0.000 0.790 474 L CB -0.417 41.618 42.059 -0.040 0.000 0.919 474 L HN 0.318 nan 8.230 nan 0.000 0.443 475 T N -5.973 108.578 114.554 -0.004 0.000 3.069 475 T HA 0.058 4.408 4.350 0.001 0.000 0.252 475 T C 0.700 175.409 174.700 0.015 0.000 1.053 475 T CA 0.159 62.282 62.100 0.037 0.000 0.964 475 T CB 0.110 69.055 68.868 0.127 0.000 1.005 475 T HN 0.191 nan 8.240 nan 0.000 0.532 476 D N 1.484 121.858 120.400 -0.044 0.000 2.772 476 D HA -0.132 4.508 4.640 0.001 0.000 0.233 476 D C 1.155 177.409 176.300 -0.077 0.000 1.143 476 D CA 1.284 55.245 54.000 -0.065 0.000 0.700 476 D CB -1.679 39.103 40.800 -0.030 0.000 1.076 476 D HN 0.903 nan 8.370 nan 0.000 0.430 477 G N 0.120 108.829 108.800 -0.151 0.000 2.296 477 G HA2 -0.396 3.564 3.960 0.001 0.000 0.282 477 G HA3 -0.396 3.564 3.960 0.001 0.000 0.282 477 G C 0.879 175.850 174.900 0.117 0.000 1.014 477 G CA 0.872 45.869 45.100 -0.171 0.000 0.812 477 G HN 0.569 nan 8.290 nan 0.000 0.508 478 K N -0.408 120.080 120.400 0.146 0.000 2.373 478 K HA 0.511 4.831 4.320 0.001 0.000 0.202 478 K C 1.217 177.917 176.600 0.168 0.000 1.025 478 K CA 0.375 56.746 56.287 0.141 0.000 1.115 478 K CB 0.897 33.445 32.500 0.081 0.000 0.858 478 K HN 0.497 nan 8.250 nan 0.000 0.525 479 A N 1.399 124.359 122.820 0.233 0.000 2.316 479 A HA 0.424 4.745 4.320 0.001 0.000 0.284 479 A C -0.043 177.618 177.584 0.128 0.000 1.115 479 A CA -0.513 51.618 52.037 0.157 0.000 0.812 479 A CB 0.246 19.333 19.000 0.146 0.000 1.064 479 A HN 0.200 nan 8.150 nan 0.000 0.489 480 I N 2.800 123.429 120.570 0.098 0.000 2.352 480 I HA 0.168 4.339 4.170 0.001 0.000 0.290 480 I C -0.569 175.592 176.117 0.073 0.000 1.036 480 I CA -0.148 61.213 61.300 0.102 0.000 1.336 480 I CB 0.663 38.705 38.000 0.069 0.000 1.407 480 I HN 0.359 nan 8.210 nan 0.000 0.497 481 I N 6.009 126.650 120.570 0.118 0.000 2.362 481 I HA 0.268 4.438 4.170 0.001 0.000 0.289 481 I C 0.309 176.460 176.117 0.056 0.000 0.994 481 I CA -0.191 61.176 61.300 0.112 0.000 1.158 481 I CB 1.495 39.625 38.000 0.217 0.000 1.315 481 I HN 0.545 nan 8.210 nan 0.000 0.451 482 S N 4.416 120.116 115.700 0.001 0.000 2.607 482 S HA 0.930 5.400 4.470 0.001 0.000 0.303 482 S C -0.165 174.424 174.600 -0.018 0.000 1.086 482 S CA -0.413 57.737 58.200 -0.082 0.000 0.995 482 S CB 2.580 65.714 63.200 -0.109 0.000 1.084 482 S HN 0.736 nan 8.310 nan 0.000 0.507 483 T N -1.281 113.254 114.554 -0.032 0.000 2.778 483 T HA 0.821 5.172 4.350 0.001 0.000 0.293 483 T C 0.423 175.225 174.700 0.170 0.000 1.144 483 T CA -0.353 61.804 62.100 0.095 0.000 1.010 483 T CB 0.958 69.850 68.868 0.041 0.000 1.325 483 T HN 1.044 nan 8.240 nan 0.000 0.515 484 G N -0.452 108.576 108.800 0.379 0.000 2.695 484 G HA2 0.632 4.593 3.960 0.001 0.000 0.213 484 G HA3 0.632 4.593 3.960 0.001 0.000 0.213 484 G C -1.028 173.893 174.900 0.034 0.000 1.406 484 G CA -0.722 44.579 45.100 0.334 0.000 1.049 484 G HN 0.876 nan 8.290 nan 0.000 0.573 485 V N -0.363 119.579 119.914 0.047 0.000 2.680 485 V HA 0.852 4.972 4.120 0.001 0.000 0.309 485 V C 0.785 176.831 176.094 -0.080 0.000 1.052 485 V CA 0.768 63.000 62.300 -0.113 0.000 0.908 485 V CB 0.756 32.524 31.823 -0.092 0.000 1.001 485 V HN 1.803 nan 8.190 nan 0.000 0.431 486 G N 3.251 111.939 108.800 -0.186 0.000 2.265 486 G HA2 -0.080 3.880 3.960 0.001 0.000 0.246 486 G HA3 -0.080 3.880 3.960 0.001 0.000 0.246 486 G C 0.132 174.872 174.900 -0.268 0.000 1.299 486 G CA 0.148 45.172 45.100 -0.126 0.000 1.117 486 G HN 0.478 nan 8.290 nan 0.000 0.485 487 Q N -0.483 119.162 119.800 -0.259 0.000 2.050 487 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 487 Q C 2.320 177.898 176.000 -0.703 0.000 0.980 487 Q CA 1.927 57.318 55.803 -0.688 0.000 0.840 487 Q CB -0.302 27.968 28.738 -0.780 0.000 0.898 487 Q HN 0.815 nan 8.270 nan 0.000 0.424 488 H N 0.593 119.573 119.070 -0.149 0.000 2.387 488 H HA -0.177 4.379 4.556 0.001 0.000 0.299 488 H C 1.851 177.287 175.328 0.180 0.000 1.099 488 H CA 1.716 57.895 56.048 0.218 0.000 1.315 488 H CB -0.303 29.606 29.762 0.245 0.000 1.380 488 H HN 0.377 nan 8.280 nan 0.000 0.513 489 Q N 0.207 119.635 119.800 -0.620 0.000 2.050 489 Q HA -0.118 4.223 4.340 0.001 0.000 0.202 489 Q C 2.135 178.139 176.000 0.005 0.000 0.980 489 Q CA 1.539 57.175 55.803 -0.279 0.000 0.840 489 Q CB 0.124 28.636 28.738 -0.378 0.000 0.898 489 Q HN 0.289 nan 8.270 nan 0.000 0.424 490 M N -0.576 118.917 119.600 -0.179 0.000 2.117 490 M HA -0.187 4.293 4.480 0.001 0.000 0.262 490 M C 1.863 178.178 176.300 0.026 0.000 1.065 490 M CA 1.225 56.432 55.300 -0.155 0.000 1.114 490 M CB -1.402 30.936 32.600 -0.436 0.000 1.361 490 M HN 0.407 nan 8.290 nan 0.000 0.408 491 W N 0.477 121.879 121.300 0.170 0.000 2.381 491 W HA 0.011 4.671 4.660 0.001 0.000 0.301 491 W C 2.684 179.397 176.519 0.323 0.000 1.205 491 W CA 1.387 58.926 57.345 0.323 0.000 1.285 491 W CB -1.485 28.128 29.460 0.255 0.000 1.133 491 W HN 0.308 nan 8.180 nan 0.000 0.521 492 A N 0.510 123.616 122.820 0.477 0.000 1.978 492 A HA -0.022 4.299 4.320 0.001 0.000 0.220 492 A C 2.240 179.974 177.584 0.250 0.000 1.170 492 A CA 2.582 54.879 52.037 0.434 0.000 0.636 492 A CB -0.869 18.450 19.000 0.532 0.000 0.810 492 A HN 0.137 nan 8.150 nan 0.000 0.448 493 A N -0.900 121.958 122.820 0.063 0.000 1.898 493 A HA -0.091 4.230 4.320 0.001 0.000 0.214 493 A C 2.109 179.631 177.584 -0.103 0.000 1.183 493 A CA 1.342 53.204 52.037 -0.291 0.000 0.622 493 A CB -0.387 18.468 19.000 -0.243 0.000 0.824 493 A HN 0.624 nan 8.150 nan 0.000 0.444 494 Q N -1.619 118.162 119.800 -0.033 0.000 2.137 494 Q HA 0.009 4.349 4.340 0.001 0.000 0.198 494 Q C 0.455 176.138 176.000 -0.528 0.000 0.960 494 Q CA 1.092 56.715 55.803 -0.300 0.000 0.847 494 Q CB -0.059 28.433 28.738 -0.410 0.000 0.915 494 Q HN 0.727 nan 8.270 nan 0.000 0.448 495 F N -1.080 118.927 119.950 0.095 0.000 2.684 495 F HA 0.241 4.768 4.527 0.001 0.000 0.298 495 F C -0.317 175.486 175.800 0.005 0.000 1.120 495 F CA -0.508 57.513 58.000 0.034 0.000 1.332 495 F CB 0.401 39.411 39.000 0.016 0.000 0.986 495 F HN -0.058 nan 8.300 nan 0.000 0.524 496 Y N 0.920 121.184 120.300 -0.060 0.000 2.406 496 Y HA 0.435 4.985 4.550 0.001 0.000 0.340 496 Y C -0.582 175.029 175.900 -0.482 0.000 0.975 496 Y CA -1.199 56.736 58.100 -0.276 0.000 1.056 496 Y CB 0.964 39.208 38.460 -0.360 0.000 1.210 496 Y HN -0.122 nan 8.280 nan 0.000 0.448 497 N N 6.091 124.480 118.700 -0.519 0.000 2.500 497 N HA 0.118 4.858 4.740 0.001 0.000 0.236 497 N C -1.609 173.745 175.510 -0.261 0.000 1.022 497 N CA -0.209 52.671 53.050 -0.284 0.000 0.935 497 N CB 0.423 38.795 38.487 -0.192 0.000 1.147 497 N HN 0.540 nan 8.380 nan 0.000 0.512 498 Y N 1.609 122.010 120.300 0.169 0.000 2.402 498 Y HA 0.086 4.636 4.550 0.001 0.000 0.333 498 Y C 1.811 177.768 175.900 0.093 0.000 1.076 498 Y CA -0.291 57.923 58.100 0.190 0.000 1.299 498 Y CB 0.932 39.474 38.460 0.137 0.000 1.197 498 Y HN 0.178 nan 8.280 nan 0.000 0.517 499 K N 1.956 122.466 120.400 0.183 0.000 2.098 499 K HA 0.076 4.396 4.320 0.001 0.000 0.203 499 K C 0.234 176.900 176.600 0.110 0.000 1.051 499 K CA 0.956 57.300 56.287 0.095 0.000 0.957 499 K CB 0.169 32.709 32.500 0.066 0.000 0.738 499 K HN 0.483 nan 8.250 nan 0.000 0.447 500 K N 0.319 120.815 120.400 0.161 0.000 2.444 500 K HA 0.452 4.772 4.320 0.001 0.000 0.252 500 K C -2.736 173.961 176.600 0.161 0.000 0.993 500 K CA -2.382 53.987 56.287 0.137 0.000 0.847 500 K CB 1.510 34.076 32.500 0.109 0.000 1.340 500 K HN -0.241 nan 8.250 nan 0.000 0.446 501 P HA 0.304 nan 4.420 nan 0.000 0.274 501 P C -0.702 176.662 177.300 0.107 0.000 1.237 501 P CA -0.157 63.014 63.100 0.118 0.000 0.793 501 P CB 0.461 32.219 31.700 0.097 0.000 0.977 502 R N -0.532 120.027 120.500 0.098 0.000 3.774 502 R HA -0.215 4.126 4.340 0.001 0.000 0.320 502 R C 0.732 177.089 176.300 0.094 0.000 1.175 502 R CA 0.551 56.695 56.100 0.073 0.000 0.849 502 R CB -2.132 28.198 30.300 0.051 0.000 1.365 502 R HN 0.600 nan 8.270 nan 0.000 0.502 503 Q N -0.688 119.201 119.800 0.147 0.000 2.322 503 Q HA 0.096 4.436 4.340 0.001 0.000 0.250 503 Q C -0.148 175.989 176.000 0.228 0.000 0.853 503 Q CA -0.092 55.837 55.803 0.211 0.000 0.951 503 Q CB 0.692 29.627 28.738 0.329 0.000 1.114 503 Q HN 0.428 nan 8.270 nan 0.000 0.523 504 W N 2.319 123.522 121.300 -0.161 0.000 2.291 504 W HA 0.438 5.099 4.660 0.001 0.000 0.312 504 W C -1.745 174.687 176.519 -0.145 0.000 1.061 504 W CA -0.465 56.672 57.345 -0.346 0.000 1.296 504 W CB 0.399 29.472 29.460 -0.646 0.000 1.223 504 W HN -0.042 nan 8.180 nan 0.000 0.421 505 L N 6.744 127.692 121.223 -0.458 0.000 2.337 505 L HA 0.355 4.695 4.340 0.001 0.000 0.269 505 L C -0.020 176.503 176.870 -0.577 0.000 1.018 505 L CA -0.302 54.313 54.840 -0.374 0.000 0.876 505 L CB 1.118 43.114 42.059 -0.106 0.000 1.236 505 L HN 0.233 nan 8.230 nan 0.000 0.436 506 S N 1.023 116.202 115.700 -0.869 0.000 2.540 506 S HA 0.355 4.825 4.470 0.001 0.000 0.275 506 S C -0.595 173.486 174.600 -0.866 0.000 1.123 506 S CA -0.423 57.233 58.200 -0.907 0.000 0.907 506 S CB 2.214 64.621 63.200 -1.321 0.000 1.081 506 S HN 0.475 nan 8.310 nan 0.000 0.476 507 S N 3.099 118.153 115.700 -1.076 0.000 2.423 507 S HA 0.408 4.878 4.470 0.001 0.000 0.302 507 S C 1.131 175.454 174.600 -0.462 0.000 1.143 507 S CA 0.090 57.744 58.200 -0.911 0.000 1.080 507 S CB -0.261 62.324 63.200 -1.024 0.000 1.081 507 S HN 0.857 nan 8.310 nan 0.000 0.522 508 G N 3.994 112.601 108.800 -0.321 0.000 2.486 508 G HA2 0.160 4.121 3.960 0.001 0.000 0.210 508 G HA3 0.160 4.121 3.960 0.001 0.000 0.210 508 G C 1.237 176.061 174.900 -0.128 0.000 1.168 508 G CA 0.424 45.423 45.100 -0.168 0.000 0.820 508 G HN 0.766 nan 8.290 nan 0.000 0.544 509 G N 0.808 109.532 108.800 -0.126 0.000 2.404 509 G HA2 -0.038 3.923 3.960 0.001 0.000 0.214 509 G HA3 -0.038 3.923 3.960 0.001 0.000 0.214 509 G C 1.698 176.543 174.900 -0.092 0.000 1.189 509 G CA 1.017 46.064 45.100 -0.088 0.000 0.789 509 G HN 0.340 nan 8.290 nan 0.000 0.533 510 L N 0.787 121.943 121.223 -0.112 0.000 2.209 510 L HA 0.351 4.691 4.340 0.001 0.000 0.207 510 L C 1.798 178.598 176.870 -0.116 0.000 1.094 510 L CA 1.558 56.342 54.840 -0.094 0.000 0.790 510 L CB -0.412 41.604 42.059 -0.073 0.000 0.932 510 L HN 0.474 nan 8.230 nan 0.000 0.447 511 G N 0.256 108.950 108.800 -0.175 0.000 2.333 511 G HA2 -0.162 3.798 3.960 0.001 0.000 0.296 511 G HA3 -0.162 3.798 3.960 0.001 0.000 0.296 511 G C 0.298 175.103 174.900 -0.159 0.000 1.059 511 G CA 0.227 45.215 45.100 -0.187 0.000 1.050 511 G HN 0.835 nan 8.290 nan 0.000 0.508 512 A N 1.252 123.956 122.820 -0.194 0.000 2.354 512 A HA 0.749 5.069 4.320 0.001 0.000 0.281 512 A C 0.848 178.372 177.584 -0.099 0.000 1.174 512 A CA -0.063 51.917 52.037 -0.096 0.000 0.828 512 A CB 0.359 19.365 19.000 0.010 0.000 1.099 512 A HN 0.656 nan 8.150 nan 0.000 0.516 513 M N 1.820 121.410 119.600 -0.017 0.000 2.245 513 M HA 0.359 4.839 4.480 0.001 0.000 0.330 513 M C 1.429 177.758 176.300 0.047 0.000 1.098 513 M CA 1.766 57.075 55.300 0.014 0.000 1.172 513 M CB 0.517 33.132 32.600 0.025 0.000 1.467 513 M HN 1.310 nan 8.290 nan 0.000 0.454 514 G N 1.616 110.439 108.800 0.039 0.000 2.143 514 G HA2 -0.306 3.655 3.960 0.001 0.000 0.249 514 G HA3 -0.306 3.655 3.960 0.001 0.000 0.249 514 G C 0.295 175.202 174.900 0.012 0.000 0.981 514 G CA 0.533 45.654 45.100 0.035 0.000 0.665 514 G HN 0.794 nan 8.290 nan 0.000 0.528 515 F N 1.607 121.335 119.950 -0.370 0.000 2.270 515 F HA 0.283 4.811 4.527 0.001 0.000 0.295 515 F C 2.327 177.911 175.800 -0.360 0.000 1.087 515 F CA 2.018 59.559 58.000 -0.766 0.000 1.365 515 F CB -0.429 38.026 39.000 -0.908 0.000 1.056 515 F HN 0.122 nan 8.300 nan 0.000 0.506 516 G N 1.404 110.146 108.800 -0.097 0.000 2.529 516 G HA2 -0.348 3.613 3.960 0.001 0.000 0.219 516 G HA3 -0.348 3.613 3.960 0.001 0.000 0.219 516 G C 1.577 176.383 174.900 -0.157 0.000 1.177 516 G CA 1.337 46.379 45.100 -0.096 0.000 0.773 516 G HN 0.421 nan 8.290 nan 0.000 0.573 517 L N 1.858 123.032 121.223 -0.082 0.000 2.005 517 L HA 0.094 4.434 4.340 0.001 0.000 0.207 517 L C 0.111 176.906 176.870 -0.125 0.000 1.072 517 L CA 1.879 56.688 54.840 -0.051 0.000 0.744 517 L CB -1.027 41.005 42.059 -0.046 0.000 0.895 517 L HN 0.126 nan 8.230 nan 0.000 0.433 518 P HA -0.127 nan 4.420 nan 0.000 0.216 518 P C 1.552 178.678 177.300 -0.290 0.000 1.153 518 P CA 1.949 64.949 63.100 -0.167 0.000 0.848 518 P CB -0.200 31.463 31.700 -0.062 0.000 0.787 519 A N 0.166 122.665 122.820 -0.536 0.000 1.908 519 A HA -0.160 4.161 4.320 0.001 0.000 0.218 519 A C 2.341 179.738 177.584 -0.312 0.000 1.181 519 A CA 2.232 53.885 52.037 -0.641 0.000 0.627 519 A CB -1.662 16.562 19.000 -1.293 0.000 0.818 519 A HN 0.198 nan 8.150 nan 0.000 0.445 520 A N -0.055 122.631 122.820 -0.222 0.000 1.902 520 A HA -0.099 4.221 4.320 0.001 0.000 0.217 520 A C 2.118 179.680 177.584 -0.036 0.000 1.181 520 A CA 1.504 53.487 52.037 -0.090 0.000 0.623 520 A CB -0.609 18.368 19.000 -0.038 0.000 0.818 520 A HN 0.514 nan 8.150 nan 0.000 0.443 521 I N -0.406 120.139 120.570 -0.042 0.000 2.163 521 I HA -0.250 3.920 4.170 0.001 0.000 0.243 521 I C 2.698 178.868 176.117 0.089 0.000 1.085 521 I CA 1.322 62.641 61.300 0.032 0.000 1.347 521 I CB -0.688 37.329 38.000 0.028 0.000 1.044 521 I HN 0.424 nan 8.210 nan 0.000 0.408 522 G N 0.281 109.071 108.800 -0.015 0.000 2.402 522 G HA2 -0.197 3.763 3.960 0.001 0.000 0.216 522 G HA3 -0.197 3.763 3.960 0.001 0.000 0.216 522 G C 1.865 176.878 174.900 0.189 0.000 1.162 522 G CA 0.760 45.919 45.100 0.099 0.000 0.777 522 G HN 0.492 nan 8.290 nan 0.000 0.539 523 A N 0.535 123.384 122.820 0.048 0.000 1.933 523 A HA -0.023 4.297 4.320 0.001 0.000 0.218 523 A C 2.625 180.240 177.584 0.051 0.000 1.175 523 A CA 2.326 54.378 52.037 0.024 0.000 0.628 523 A CB -0.769 18.225 19.000 -0.010 0.000 0.814 523 A HN 0.406 nan 8.150 nan 0.000 0.444 524 S N -0.718 115.028 115.700 0.076 0.000 2.368 524 S HA -0.115 4.356 4.470 0.001 0.000 0.224 524 S C 1.901 176.569 174.600 0.113 0.000 1.029 524 S CA 1.536 59.786 58.200 0.083 0.000 0.988 524 S CB -0.444 62.806 63.200 0.084 0.000 0.838 524 S HN 0.300 nan 8.310 nan 0.000 0.462 525 V N 1.967 121.994 119.914 0.188 0.000 2.407 525 V HA -0.111 4.010 4.120 0.001 0.000 0.248 525 V C 2.729 178.946 176.094 0.205 0.000 1.055 525 V CA 1.744 64.185 62.300 0.235 0.000 1.049 525 V CB -1.160 30.889 31.823 0.377 0.000 0.662 525 V HN 0.597 nan 8.190 nan 0.000 0.455 526 A N -0.264 122.629 122.820 0.122 0.000 2.067 526 A HA -0.021 4.299 4.320 0.001 0.000 0.217 526 A C 1.130 178.671 177.584 -0.073 0.000 1.156 526 A CA 0.953 52.897 52.037 -0.155 0.000 0.683 526 A CB -0.163 18.527 19.000 -0.516 0.000 0.808 526 A HN 0.613 nan 8.150 nan 0.000 0.455 527 N N -0.502 118.194 118.700 -0.006 0.000 2.752 527 N HA 0.193 4.933 4.740 0.001 0.000 0.260 527 N C -2.569 172.962 175.510 0.034 0.000 1.562 527 N CA -0.988 52.066 53.050 0.008 0.000 0.788 527 N CB 1.142 39.633 38.487 0.006 0.000 1.192 527 N HN 0.041 nan 8.380 nan 0.000 0.503 528 P HA -0.128 nan 4.420 nan 0.000 0.217 528 P C 0.396 177.721 177.300 0.042 0.000 1.151 528 P CA 1.420 64.549 63.100 0.048 0.000 0.849 528 P CB 0.326 32.054 31.700 0.047 0.000 0.787 529 D N -1.508 118.914 120.400 0.036 0.000 2.342 529 D HA 0.225 4.865 4.640 0.001 0.000 0.221 529 D C 0.716 177.039 176.300 0.037 0.000 1.101 529 D CA 0.097 54.118 54.000 0.035 0.000 0.837 529 D CB 0.111 40.929 40.800 0.030 0.000 0.938 529 D HN 0.134 nan 8.370 nan 0.000 0.508 530 A N 0.521 123.365 122.820 0.040 0.000 2.282 530 A HA 0.571 4.891 4.320 0.001 0.000 0.319 530 A C 0.116 177.730 177.584 0.050 0.000 1.121 530 A CA -0.556 51.508 52.037 0.046 0.000 0.836 530 A CB 0.874 19.902 19.000 0.046 0.000 1.146 530 A HN 0.085 nan 8.150 nan 0.000 0.494 531 I N 1.692 122.296 120.570 0.055 0.000 2.337 531 I HA 0.229 4.399 4.170 0.001 0.000 0.291 531 I C -0.764 175.389 176.117 0.060 0.000 1.046 531 I CA -0.134 61.200 61.300 0.057 0.000 1.324 531 I CB 1.017 39.054 38.000 0.063 0.000 1.409 531 I HN 0.200 nan 8.210 nan 0.000 0.494 532 V N 7.945 127.893 119.914 0.056 0.000 2.357 532 V HA 0.374 4.494 4.120 0.001 0.000 0.284 532 V C -0.079 176.047 176.094 0.053 0.000 1.018 532 V CA -0.575 61.756 62.300 0.051 0.000 0.841 532 V CB 1.860 33.711 31.823 0.047 0.000 0.991 532 V HN 0.386 nan 8.190 nan 0.000 0.437 533 V N 3.667 123.611 119.914 0.049 0.000 2.483 533 V HA 0.405 4.526 4.120 0.001 0.000 0.297 533 V C -0.615 175.513 176.094 0.056 0.000 1.027 533 V CA -0.655 61.679 62.300 0.056 0.000 0.855 533 V CB 2.093 33.950 31.823 0.057 0.000 0.995 533 V HN 0.934 nan 8.190 nan 0.000 0.424 534 D N 4.796 125.235 120.400 0.064 0.000 2.396 534 D HA 0.337 4.978 4.640 0.001 0.000 0.225 534 D C -0.179 176.177 176.300 0.094 0.000 1.121 534 D CA -0.188 53.855 54.000 0.071 0.000 0.853 534 D CB 0.771 41.614 40.800 0.072 0.000 1.043 534 D HN 0.479 nan 8.370 nan 0.000 0.500 535 I N 4.066 124.720 120.570 0.141 0.000 2.278 535 I HA 0.161 4.332 4.170 0.001 0.000 0.296 535 I C 0.510 176.780 176.117 0.256 0.000 1.121 535 I CA -0.267 61.148 61.300 0.192 0.000 1.267 535 I CB 0.296 38.458 38.000 0.269 0.000 1.447 535 I HN 0.329 nan 8.210 nan 0.000 0.509 536 D N 4.036 124.477 120.400 0.068 0.000 2.442 536 D HA 0.573 5.213 4.640 0.001 0.000 0.254 536 D C -0.044 175.900 176.300 -0.594 0.000 1.069 536 D CA -0.188 53.737 54.000 -0.125 0.000 1.017 536 D CB 2.393 43.217 40.800 0.040 0.000 1.172 536 D HN 0.477 nan 8.370 nan 0.000 0.561 537 G N -0.453 107.846 108.800 -0.834 0.000 2.454 537 G HA2 0.246 4.206 3.960 0.001 0.000 0.329 537 G HA3 0.246 4.206 3.960 0.001 0.000 0.329 537 G C 0.700 175.518 174.900 -0.136 0.000 1.177 537 G CA -0.486 44.271 45.100 -0.572 0.000 0.951 537 G HN 0.487 nan 8.290 nan 0.000 0.485 538 D N 0.437 120.813 120.400 -0.041 0.000 2.218 538 D HA -0.087 4.553 4.640 0.001 0.000 0.204 538 D C 1.953 178.286 176.300 0.055 0.000 0.976 538 D CA 1.246 55.265 54.000 0.031 0.000 0.853 538 D CB -0.434 40.379 40.800 0.021 0.000 0.939 538 D HN 0.472 nan 8.370 nan 0.000 0.481 539 G N 0.492 109.314 108.800 0.036 0.000 2.395 539 G HA2 -0.176 3.784 3.960 0.001 0.000 0.214 539 G HA3 -0.176 3.784 3.960 0.001 0.000 0.214 539 G C 1.849 176.764 174.900 0.025 0.000 1.177 539 G CA 0.816 45.933 45.100 0.028 0.000 0.794 539 G HN 0.333 nan 8.290 nan 0.000 0.532 540 S N 0.482 116.212 115.700 0.050 0.000 2.368 540 S HA -0.077 4.394 4.470 0.001 0.000 0.224 540 S C 1.902 176.521 174.600 0.033 0.000 1.029 540 S CA 0.987 59.220 58.200 0.055 0.000 0.988 540 S CB -0.389 62.885 63.200 0.124 0.000 0.838 540 S HN 0.366 nan 8.310 nan 0.000 0.462 541 F N 2.052 121.946 119.950 -0.094 0.000 2.126 541 F HA -0.048 4.479 4.527 0.001 0.000 0.299 541 F C 1.909 177.611 175.800 -0.162 0.000 1.096 541 F CA 1.054 58.984 58.000 -0.115 0.000 1.255 541 F CB -0.308 38.621 39.000 -0.117 0.000 0.997 541 F HN 0.136 nan 8.300 nan 0.000 0.479 542 I N -0.283 120.162 120.570 -0.207 0.000 2.493 542 I HA -0.300 3.870 4.170 0.001 0.000 0.254 542 I C 2.117 178.014 176.117 -0.367 0.000 1.160 542 I CA 0.913 61.981 61.300 -0.388 0.000 1.445 542 I CB -0.118 37.759 38.000 -0.205 0.000 1.086 542 I HN 0.230 nan 8.210 nan 0.000 0.433 543 M N 0.096 119.553 119.600 -0.239 0.000 2.108 543 M HA -0.222 4.258 4.480 0.001 0.000 0.261 543 M C 0.640 176.789 176.300 -0.252 0.000 1.066 543 M CA 1.600 56.783 55.300 -0.196 0.000 1.107 543 M CB -0.374 32.160 32.600 -0.110 0.000 1.356 543 M HN 0.221 nan 8.290 nan 0.000 0.406 544 N N -0.124 118.400 118.700 -0.292 0.000 2.416 544 N HA 0.113 4.854 4.740 0.001 0.000 0.267 544 N C 0.819 176.094 175.510 -0.392 0.000 1.294 544 N CA 0.059 52.935 53.050 -0.289 0.000 0.891 544 N CB 0.964 39.345 38.487 -0.176 0.000 1.238 544 N HN 0.059 nan 8.380 nan 0.000 0.508 545 V N 1.648 121.227 119.914 -0.558 0.000 2.568 545 V HA -0.239 3.882 4.120 0.001 0.000 0.253 545 V C 2.530 178.374 176.094 -0.417 0.000 1.072 545 V CA 1.899 63.758 62.300 -0.736 0.000 1.084 545 V CB -0.110 31.125 31.823 -0.980 0.000 0.676 545 V HN 0.435 nan 8.190 nan 0.000 0.469 546 Q N -0.481 119.151 119.800 -0.280 0.000 2.368 546 Q HA -0.228 4.112 4.340 0.001 0.000 0.210 546 Q C 1.525 177.472 176.000 -0.088 0.000 0.982 546 Q CA 1.750 57.470 55.803 -0.138 0.000 0.884 546 Q CB -0.671 28.022 28.738 -0.075 0.000 0.933 546 Q HN 0.626 nan 8.270 nan 0.000 0.460 547 E N 0.965 121.094 120.200 -0.119 0.000 2.478 547 E HA 0.034 4.384 4.350 0.001 0.000 0.198 547 E C 2.081 178.663 176.600 -0.030 0.000 1.046 547 E CA 0.182 56.549 56.400 -0.056 0.000 0.870 547 E CB -0.231 29.428 29.700 -0.068 0.000 0.818 547 E HN 0.450 nan 8.360 nan 0.000 0.527 548 L N 0.209 121.400 121.223 -0.052 0.000 2.131 548 L HA -0.168 4.172 4.340 0.001 0.000 0.210 548 L C 2.410 179.298 176.870 0.031 0.000 1.092 548 L CA 1.068 55.914 54.840 0.009 0.000 0.759 548 L CB -0.522 41.554 42.059 0.028 0.000 0.903 548 L HN 0.081 nan 8.230 nan 0.000 0.435 549 A N -0.171 122.663 122.820 0.024 0.000 1.883 549 A HA -0.221 4.099 4.320 0.001 0.000 0.217 549 A C 2.368 179.980 177.584 0.046 0.000 1.186 549 A CA 2.433 54.493 52.037 0.038 0.000 0.624 549 A CB -0.950 18.073 19.000 0.039 0.000 0.822 549 A HN 0.384 nan 8.150 nan 0.000 0.444 550 T N 0.492 115.076 114.554 0.051 0.000 2.652 550 T HA -0.154 4.196 4.350 0.001 0.000 0.267 550 T C 1.808 176.549 174.700 0.068 0.000 1.039 550 T CA 1.628 63.769 62.100 0.068 0.000 1.153 550 T CB -0.496 68.422 68.868 0.083 0.000 0.863 550 T HN 0.425 nan 8.240 nan 0.000 0.428 551 I N 0.827 121.434 120.570 0.062 0.000 2.151 551 I HA -0.248 3.922 4.170 0.001 0.000 0.243 551 I C 2.816 178.970 176.117 0.063 0.000 1.080 551 I CA 1.318 62.658 61.300 0.067 0.000 1.339 551 I CB -0.313 37.728 38.000 0.067 0.000 1.039 551 I HN 0.096 nan 8.210 nan 0.000 0.409 552 R N 1.285 121.819 120.500 0.055 0.000 2.070 552 R HA -0.108 4.233 4.340 0.001 0.000 0.232 552 R C 2.067 178.394 176.300 0.045 0.000 1.138 552 R CA 1.917 58.046 56.100 0.049 0.000 0.936 552 R CB -1.214 29.113 30.300 0.044 0.000 0.839 552 R HN 0.164 nan 8.270 nan 0.000 0.429 553 V N 1.662 121.602 119.914 0.043 0.000 2.568 553 V HA -0.156 3.965 4.120 0.001 0.000 0.253 553 V C 1.606 177.724 176.094 0.039 0.000 1.072 553 V CA 2.058 64.380 62.300 0.037 0.000 1.084 553 V CB -0.503 31.341 31.823 0.035 0.000 0.676 553 V HN 0.357 nan 8.190 nan 0.000 0.469 554 E N -0.806 119.424 120.200 0.049 0.000 2.479 554 E HA 0.077 4.428 4.350 0.001 0.000 0.193 554 E C 0.352 176.984 176.600 0.052 0.000 1.049 554 E CA -0.211 56.220 56.400 0.051 0.000 0.870 554 E CB -0.227 29.515 29.700 0.069 0.000 0.944 554 E HN 0.582 nan 8.360 nan 0.000 0.492 555 N N 1.103 119.833 118.700 0.051 0.000 2.705 555 N HA -0.204 4.537 4.740 0.001 0.000 0.255 555 N C -0.722 174.823 175.510 0.059 0.000 1.008 555 N CA 0.625 53.706 53.050 0.051 0.000 0.742 555 N CB -1.300 37.213 38.487 0.043 0.000 0.906 555 N HN 0.235 nan 8.380 nan 0.000 0.541 556 L N 1.186 122.449 121.223 0.067 0.000 2.289 556 L HA 0.323 4.664 4.340 0.001 0.000 0.285 556 L C -1.233 175.682 176.870 0.074 0.000 1.049 556 L CA -1.622 53.262 54.840 0.073 0.000 0.804 556 L CB 1.187 43.296 42.059 0.084 0.000 1.195 556 L HN -0.098 nan 8.230 nan 0.000 0.428 557 P HA 0.015 nan 4.420 nan 0.000 0.249 557 P C -0.120 177.227 177.300 0.079 0.000 1.686 557 P CA 0.009 63.153 63.100 0.074 0.000 0.873 557 P CB -0.131 31.606 31.700 0.062 0.000 1.828 558 V N 2.419 122.383 119.914 0.084 0.000 2.508 558 V HA 0.078 4.199 4.120 0.001 0.000 0.281 558 V C 0.923 177.079 176.094 0.105 0.000 1.041 558 V CA 0.171 62.521 62.300 0.084 0.000 1.016 558 V CB 0.436 32.306 31.823 0.078 0.000 0.984 558 V HN 0.149 nan 8.190 nan 0.000 0.478 559 K N 4.274 124.733 120.400 0.099 0.000 2.159 559 K HA 0.602 4.922 4.320 0.001 0.000 0.266 559 K C -0.859 175.802 176.600 0.101 0.000 0.975 559 K CA -0.623 55.736 56.287 0.120 0.000 0.865 559 K CB 2.135 34.690 32.500 0.092 0.000 1.087 559 K HN 0.374 nan 8.250 nan 0.000 0.446 560 V N 3.647 123.621 119.914 0.101 0.000 2.326 560 V HA 0.191 4.311 4.120 0.001 0.000 0.281 560 V C -0.490 175.607 176.094 0.005 0.000 1.015 560 V CA -0.932 61.392 62.300 0.039 0.000 0.823 560 V CB 1.215 33.030 31.823 -0.014 0.000 1.009 560 V HN 0.519 nan 8.190 nan 0.000 0.436 561 L N 6.685 127.919 121.223 0.018 0.000 2.328 561 L HA 0.493 4.834 4.340 0.001 0.000 0.280 561 L C -0.410 176.442 176.870 -0.030 0.000 1.111 561 L CA -0.157 54.693 54.840 0.017 0.000 0.909 561 L CB 0.756 42.849 42.059 0.057 0.000 1.277 561 L HN 0.627 nan 8.230 nan 0.000 0.433 562 L N 5.668 126.823 121.223 -0.114 0.000 2.295 562 L HA 0.331 4.671 4.340 0.001 0.000 0.288 562 L C -0.612 176.204 176.870 -0.090 0.000 1.079 562 L CA 0.157 54.884 54.840 -0.188 0.000 0.830 562 L CB 0.401 42.228 42.059 -0.387 0.000 1.200 562 L HN 0.447 nan 8.230 nan 0.000 0.438 563 L N 5.590 126.786 121.223 -0.044 0.000 2.334 563 L HA 0.266 4.606 4.340 0.001 0.000 0.286 563 L C 0.287 177.174 176.870 0.029 0.000 1.108 563 L CA -0.183 54.678 54.840 0.034 0.000 0.875 563 L CB -0.234 41.912 42.059 0.145 0.000 1.246 563 L HN 0.620 nan 8.230 nan 0.000 0.439 564 N N 3.762 122.477 118.700 0.025 0.000 2.406 564 N HA 0.044 4.784 4.740 0.001 0.000 0.251 564 N C 0.275 175.852 175.510 0.112 0.000 1.069 564 N CA -0.104 52.972 53.050 0.044 0.000 0.947 564 N CB 0.774 39.270 38.487 0.015 0.000 1.111 564 N HN 0.546 nan 8.380 nan 0.000 0.497 565 N N 2.813 121.612 118.700 0.164 0.000 2.197 565 N HA 0.008 4.749 4.740 0.001 0.000 0.228 565 N C -0.329 175.388 175.510 0.344 0.000 1.212 565 N CA -0.044 53.160 53.050 0.258 0.000 0.883 565 N CB 0.250 38.921 38.487 0.307 0.000 1.107 565 N HN 0.330 nan 8.380 nan 0.000 0.519 566 Q N -0.885 119.035 119.800 0.200 0.000 2.332 566 Q HA -0.239 4.101 4.340 0.001 0.000 0.222 566 Q C -0.811 175.155 176.000 -0.058 0.000 0.758 566 Q CA 1.650 57.495 55.803 0.071 0.000 1.355 566 Q CB -2.105 26.718 28.738 0.142 0.000 1.705 566 Q HN 0.754 nan 8.270 nan 0.000 0.638 567 H N -1.676 117.455 119.070 0.102 0.000 2.908 567 H HA 0.590 5.146 4.556 0.001 0.000 0.350 567 H C 0.095 175.493 175.328 0.117 0.000 1.217 567 H CA -0.857 55.270 56.048 0.132 0.000 1.168 567 H CB 0.801 30.692 29.762 0.214 0.000 1.891 567 H HN -0.036 nan 8.280 nan 0.000 0.566 568 L N 2.276 123.659 121.223 0.267 0.000 2.422 568 L HA 0.201 4.542 4.340 0.001 0.000 0.256 568 L C 1.485 178.479 176.870 0.206 0.000 1.202 568 L CA -0.234 54.713 54.840 0.179 0.000 1.119 568 L CB -0.082 42.054 42.059 0.129 0.000 1.383 568 L HN 0.971 nan 8.230 nan 0.000 0.411 569 G N 1.987 110.919 108.800 0.220 0.000 2.766 569 G HA2 -0.428 3.533 3.960 0.001 0.000 0.222 569 G HA3 -0.428 3.533 3.960 0.001 0.000 0.222 569 G C 1.327 176.312 174.900 0.141 0.000 1.225 569 G CA 1.316 46.535 45.100 0.198 0.000 0.784 569 G HN 0.529 nan 8.290 nan 0.000 0.631 570 M N 0.276 119.926 119.600 0.083 0.000 2.149 570 M HA -0.022 4.458 4.480 0.001 0.000 0.261 570 M C 2.555 178.943 176.300 0.146 0.000 1.064 570 M CA 1.303 56.653 55.300 0.084 0.000 1.102 570 M CB -0.373 32.229 32.600 0.003 0.000 1.369 570 M HN 0.077 nan 8.290 nan 0.000 0.408 571 V N -0.064 119.907 119.914 0.094 0.000 2.427 571 V HA -0.276 3.844 4.120 0.001 0.000 0.248 571 V C 2.507 178.728 176.094 0.212 0.000 1.051 571 V CA 1.972 64.336 62.300 0.106 0.000 1.048 571 V CB -0.905 30.954 31.823 0.059 0.000 0.666 571 V HN 0.648 nan 8.190 nan 0.000 0.456 572 M N -0.019 119.705 119.600 0.206 0.000 2.086 572 M HA -0.285 4.196 4.480 0.001 0.000 0.261 572 M C 2.367 178.798 176.300 0.218 0.000 1.067 572 M CA 2.271 57.703 55.300 0.221 0.000 1.116 572 M CB -0.293 32.444 32.600 0.229 0.000 1.348 572 M HN 0.431 nan 8.290 nan 0.000 0.407 573 Q N -0.528 119.375 119.800 0.172 0.000 2.096 573 Q HA -0.241 4.100 4.340 0.001 0.000 0.204 573 Q C 1.641 177.658 176.000 0.027 0.000 0.982 573 Q CA 2.447 58.207 55.803 -0.072 0.000 0.850 573 Q CB -0.298 28.328 28.738 -0.188 0.000 0.901 573 Q HN 0.696 nan 8.270 nan 0.000 0.422 574 W N 1.102 122.435 121.300 0.055 0.000 2.402 574 W HA -0.058 4.602 4.660 0.000 0.000 0.286 574 W C 1.941 178.654 176.519 0.324 0.000 1.221 574 W CA 1.094 58.593 57.345 0.256 0.000 1.257 574 W CB -0.082 29.613 29.460 0.391 0.000 1.120 574 W HN 0.310 nan 8.180 nan 0.000 0.551 575 E N -0.120 120.341 120.200 0.435 0.000 2.077 575 E HA -0.196 4.154 4.350 0.001 0.000 0.193 575 E C 1.614 178.369 176.600 0.258 0.000 0.989 575 E CA 1.485 58.112 56.400 0.378 0.000 0.800 575 E CB -0.312 29.518 29.700 0.218 0.000 0.746 575 E HN 0.183 nan 8.360 nan 0.000 0.452 576 D N 0.313 120.808 120.400 0.158 0.000 2.117 576 D HA -0.117 4.523 4.640 0.001 0.000 0.197 576 D C 1.992 178.254 176.300 -0.064 0.000 0.987 576 D CA 0.861 54.919 54.000 0.096 0.000 0.829 576 D CB -0.072 40.868 40.800 0.234 0.000 0.961 576 D HN 0.036 nan 8.370 nan 0.000 0.460 577 R N -0.336 119.977 120.500 -0.311 0.000 2.093 577 R HA 0.040 4.381 4.340 0.001 0.000 0.224 577 R C 1.602 177.308 176.300 -0.990 0.000 1.101 577 R CA 0.636 56.236 56.100 -0.834 0.000 0.979 577 R CB -0.321 29.033 30.300 -1.576 0.000 0.877 577 R HN 0.329 nan 8.270 nan 0.000 0.441 578 F N -2.709 117.198 119.950 -0.070 0.000 2.746 578 F HA 0.251 4.779 4.527 0.001 0.000 0.320 578 F C 0.232 175.716 175.800 -0.527 0.000 1.097 578 F CA -0.375 57.452 58.000 -0.289 0.000 1.195 578 F CB 0.484 39.251 39.000 -0.388 0.000 1.056 578 F HN -0.139 nan 8.300 nan 0.000 0.562 579 Y N 0.264 120.648 120.300 0.139 0.000 2.696 579 Y HA 0.304 4.855 4.550 0.001 0.000 0.255 579 Y C 0.317 176.258 175.900 0.068 0.000 1.103 579 Y CA -1.487 56.686 58.100 0.122 0.000 1.126 579 Y CB -0.058 38.491 38.460 0.148 0.000 1.197 579 Y HN -0.077 nan 8.280 nan 0.000 0.574 580 K N 0.519 120.984 120.400 0.109 0.000 3.035 580 K HA -0.264 4.057 4.320 0.001 0.000 0.262 580 K C 0.809 177.462 176.600 0.088 0.000 1.024 580 K CA 0.556 56.886 56.287 0.071 0.000 0.748 580 K CB -1.520 31.019 32.500 0.065 0.000 1.247 580 K HN 0.625 nan 8.250 nan 0.000 0.482 581 A N -0.410 122.477 122.820 0.113 0.000 2.826 581 A HA -0.284 4.036 4.320 0.001 0.000 0.274 581 A C 0.162 177.808 177.584 0.104 0.000 1.443 581 A CA 1.366 53.468 52.037 0.109 0.000 0.833 581 A CB -1.662 17.379 19.000 0.068 0.000 1.023 581 A HN 0.685 nan 8.150 nan 0.000 0.600 582 N N 0.862 119.637 118.700 0.124 0.000 2.402 582 N HA 0.238 4.978 4.740 0.001 0.000 0.259 582 N C 0.316 175.858 175.510 0.053 0.000 1.167 582 N CA -0.278 52.822 53.050 0.084 0.000 0.949 582 N CB 0.273 38.819 38.487 0.097 0.000 1.212 582 N HN 0.346 nan 8.380 nan 0.000 0.493 583 R N 2.357 122.880 120.500 0.040 0.000 2.522 583 R HA 0.217 4.557 4.340 0.001 0.000 0.284 583 R C -0.524 175.726 176.300 -0.082 0.000 1.032 583 R CA -0.000 56.115 56.100 0.026 0.000 1.049 583 R CB 0.358 30.693 30.300 0.057 0.000 0.956 583 R HN 0.596 nan 8.270 nan 0.000 0.422 584 A N 4.071 126.807 122.820 -0.140 0.000 2.815 584 A HA 0.312 4.632 4.320 0.001 0.000 0.318 584 A C -0.378 176.942 177.584 -0.441 0.000 1.186 584 A CA -0.679 51.096 52.037 -0.437 0.000 0.754 584 A CB 0.003 18.831 19.000 -0.287 0.000 1.151 584 A HN 0.920 nan 8.150 nan 0.000 0.452 585 H N 0.785 119.897 119.070 0.070 0.000 2.899 585 H HA -0.183 4.374 4.556 0.001 0.000 0.282 585 H C 1.061 176.438 175.328 0.081 0.000 1.198 585 H CA 1.568 57.657 56.048 0.068 0.000 1.140 585 H CB -2.355 27.428 29.762 0.036 0.000 1.317 585 H HN 0.900 nan 8.280 nan 0.000 0.375 586 T N -3.568 111.083 114.554 0.161 0.000 3.086 586 T HA 0.176 4.526 4.350 0.001 0.000 0.250 586 T C 0.410 175.232 174.700 0.203 0.000 1.074 586 T CA -0.257 61.957 62.100 0.190 0.000 0.988 586 T CB 0.127 69.127 68.868 0.221 0.000 0.988 586 T HN 0.185 nan 8.240 nan 0.000 0.530 587 F N 2.310 122.241 119.950 -0.032 0.000 2.420 587 F HA 0.536 5.063 4.527 0.001 0.000 0.352 587 F C 0.547 176.254 175.800 -0.155 0.000 1.108 587 F CA -2.156 55.672 58.000 -0.288 0.000 1.162 587 F CB 0.769 39.618 39.000 -0.251 0.000 1.118 587 F HN -0.085 nan 8.300 nan 0.000 0.510 588 L N 5.486 126.220 121.223 -0.814 0.000 2.585 588 L HA 0.286 4.627 4.340 0.001 0.000 0.226 588 L C 1.413 177.890 176.870 -0.655 0.000 1.113 588 L CA 0.112 54.627 54.840 -0.542 0.000 0.876 588 L CB -0.625 41.280 42.059 -0.256 0.000 1.072 588 L HN 0.758 nan 8.230 nan 0.000 0.468 589 G N -0.999 106.874 108.800 -1.546 0.000 2.525 589 G HA2 0.091 4.051 3.960 0.001 0.000 0.287 589 G HA3 0.091 4.051 3.960 0.001 0.000 0.287 589 G C -1.114 173.560 174.900 -0.377 0.000 1.350 589 G CA -0.292 44.370 45.100 -0.729 0.000 1.039 589 G HN -0.053 nan 8.290 nan 0.000 0.513 590 D N -0.647 119.688 120.400 -0.108 0.000 2.317 590 D HA 0.334 4.974 4.640 0.001 0.000 0.234 590 D C -1.499 174.864 176.300 0.106 0.000 1.112 590 D CA -2.087 51.789 54.000 -0.206 0.000 0.840 590 D CB 1.826 42.256 40.800 -0.616 0.000 1.078 590 D HN -0.132 nan 8.370 nan 0.000 0.486 591 P HA -0.087 nan 4.420 nan 0.000 0.219 591 P C 0.897 178.208 177.300 0.019 0.000 1.146 591 P CA 1.038 64.208 63.100 0.116 0.000 0.808 591 P CB 0.285 32.038 31.700 0.088 0.000 0.779 592 A N -0.508 122.298 122.820 -0.022 0.000 1.969 592 A HA -0.169 4.151 4.320 0.001 0.000 0.218 592 A C 1.253 178.821 177.584 -0.026 0.000 1.169 592 A CA 1.319 53.333 52.037 -0.037 0.000 0.635 592 A CB -0.720 18.240 19.000 -0.067 0.000 0.810 592 A HN 0.305 nan 8.150 nan 0.000 0.445 593 Q N -1.423 118.366 119.800 -0.018 0.000 2.719 593 Q HA 0.417 4.758 4.340 0.001 0.000 0.376 593 Q C 0.683 176.715 176.000 0.053 0.000 0.856 593 Q CA 0.356 56.163 55.803 0.007 0.000 1.038 593 Q CB 0.293 29.029 28.738 -0.003 0.000 1.418 593 Q HN 0.536 nan 8.270 nan 0.000 0.395 594 E N 1.383 121.609 120.200 0.042 0.000 2.271 594 E HA -0.286 4.064 4.350 0.001 0.000 0.209 594 E C 1.114 177.765 176.600 0.085 0.000 1.046 594 E CA 2.208 58.631 56.400 0.039 0.000 0.840 594 E CB -0.475 29.182 29.700 -0.072 0.000 0.738 594 E HN 0.463 nan 8.360 nan 0.000 0.470 595 D N -0.325 120.115 120.400 0.067 0.000 2.354 595 D HA 0.033 4.673 4.640 0.001 0.000 0.209 595 D C 0.143 176.501 176.300 0.097 0.000 1.015 595 D CA 0.037 54.084 54.000 0.078 0.000 0.867 595 D CB 0.241 41.071 40.800 0.049 0.000 0.933 595 D HN 0.409 nan 8.370 nan 0.000 0.520 596 E N 0.877 121.140 120.200 0.104 0.000 2.313 596 E HA 0.208 4.558 4.350 0.001 0.000 0.276 596 E C 0.414 177.106 176.600 0.154 0.000 1.031 596 E CA -0.354 56.112 56.400 0.110 0.000 0.857 596 E CB 1.818 31.575 29.700 0.095 0.000 1.040 596 E HN 0.151 nan 8.360 nan 0.000 0.408 597 I N 3.850 124.499 120.570 0.131 0.000 2.505 597 I HA 0.009 4.179 4.170 0.001 0.000 0.287 597 I C -0.014 176.205 176.117 0.170 0.000 1.104 597 I CA 0.298 61.676 61.300 0.129 0.000 1.387 597 I CB -0.063 37.985 38.000 0.080 0.000 1.404 597 I HN 0.278 nan 8.210 nan 0.000 0.528 598 F N 9.362 129.307 119.950 -0.008 0.000 2.556 598 F HA 0.596 5.124 4.527 0.001 0.000 0.314 598 F C -2.592 173.187 175.800 -0.036 0.000 1.106 598 F CA -2.214 55.770 58.000 -0.026 0.000 0.911 598 F CB 1.785 40.761 39.000 -0.040 0.000 1.190 598 F HN 0.217 nan 8.300 nan 0.000 0.448 599 P HA 0.149 nan 4.420 nan 0.000 0.297 599 P C -1.266 175.831 177.300 -0.338 0.000 1.303 599 P CA -0.440 62.020 63.100 -1.066 0.000 0.753 599 P CB 0.496 31.687 31.700 -0.847 0.000 1.281 600 N N 1.004 119.521 118.700 -0.305 0.000 2.645 600 N HA 0.093 4.834 4.740 0.001 0.000 0.233 600 N C 0.772 176.194 175.510 -0.147 0.000 1.058 600 N CA -0.023 52.930 53.050 -0.161 0.000 0.942 600 N CB -0.139 38.263 38.487 -0.142 0.000 1.210 600 N HN 0.187 nan 8.380 nan 0.000 0.512 601 M N 2.478 122.085 119.600 0.013 0.000 2.346 601 M HA -0.121 4.360 4.480 0.001 0.000 0.263 601 M C 1.552 177.917 176.300 0.109 0.000 1.064 601 M CA 0.922 56.346 55.300 0.206 0.000 1.083 601 M CB -0.638 32.030 32.600 0.112 0.000 1.399 601 M HN 0.505 nan 8.290 nan 0.000 0.435 602 L N -0.562 120.656 121.223 -0.009 0.000 2.083 602 L HA -0.203 4.137 4.340 0.001 0.000 0.209 602 L C 2.317 179.165 176.870 -0.037 0.000 1.083 602 L CA 0.968 55.788 54.840 -0.033 0.000 0.752 602 L CB -0.720 41.309 42.059 -0.050 0.000 0.899 602 L HN 0.276 nan 8.230 nan 0.000 0.433 603 L N -1.653 119.509 121.223 -0.101 0.000 2.217 603 L HA -0.142 4.198 4.340 0.001 0.000 0.211 603 L C 2.409 179.210 176.870 -0.115 0.000 1.107 603 L CA 0.994 55.748 54.840 -0.143 0.000 0.783 603 L CB -0.402 41.519 42.059 -0.229 0.000 0.919 603 L HN 0.152 nan 8.230 nan 0.000 0.442 604 F N 0.100 120.050 119.950 0.000 0.000 2.146 604 F HA -0.192 4.336 4.527 0.001 0.000 0.298 604 F C 2.644 178.460 175.800 0.027 0.000 1.096 604 F CA 0.860 58.871 58.000 0.019 0.000 1.275 604 F CB -0.252 38.788 39.000 0.065 0.000 1.008 604 F HN 0.036 nan 8.300 nan 0.000 0.480 605 A N 0.193 123.144 122.820 0.218 0.000 1.877 605 A HA -0.132 4.188 4.320 0.001 0.000 0.216 605 A C 2.364 179.979 177.584 0.052 0.000 1.186 605 A CA 1.706 53.812 52.037 0.113 0.000 0.620 605 A CB -1.327 17.694 19.000 0.036 0.000 0.822 605 A HN 0.315 nan 8.150 nan 0.000 0.443 606 A N -0.044 122.788 122.820 0.019 0.000 1.908 606 A HA 0.079 4.399 4.320 0.001 0.000 0.218 606 A C 2.498 180.091 177.584 0.016 0.000 1.181 606 A CA 2.323 54.360 52.037 -0.001 0.000 0.627 606 A CB -1.108 17.879 19.000 -0.022 0.000 0.818 606 A HN 1.197 nan 8.150 nan 0.000 0.445 607 A N -1.491 121.349 122.820 0.033 0.000 1.978 607 A HA -0.173 4.147 4.320 0.001 0.000 0.220 607 A C 1.812 179.426 177.584 0.050 0.000 1.170 607 A CA 1.698 53.761 52.037 0.043 0.000 0.636 607 A CB -0.943 18.100 19.000 0.072 0.000 0.810 607 A HN 0.661 nan 8.150 nan 0.000 0.448 608 C N -0.862 118.473 119.300 0.059 0.000 2.668 608 C HA 0.521 4.981 4.460 0.001 0.000 0.301 608 C C 1.655 176.668 174.990 0.038 0.000 1.351 608 C CA -0.403 58.646 59.018 0.051 0.000 1.757 608 C CB -1.217 26.559 27.740 0.061 0.000 2.179 608 C HN 1.052 nan 8.230 nan 0.000 0.586 609 G N 1.956 110.773 108.800 0.028 0.000 2.305 609 G HA2 -0.267 3.693 3.960 0.001 0.000 0.287 609 G HA3 -0.267 3.693 3.960 0.001 0.000 0.287 609 G C -0.194 174.715 174.900 0.014 0.000 1.036 609 G CA 0.100 45.211 45.100 0.018 0.000 0.887 609 G HN 0.661 nan 8.290 nan 0.000 0.505 610 I N 1.785 122.359 120.570 0.007 0.000 2.355 610 I HA 0.273 4.444 4.170 0.001 0.000 0.288 610 I C -1.691 174.375 176.117 -0.084 0.000 0.999 610 I CA -2.526 58.767 61.300 -0.012 0.000 1.163 610 I CB 1.892 39.899 38.000 0.013 0.000 1.316 610 I HN -0.069 nan 8.210 nan 0.000 0.454 611 P HA 0.137 nan 4.420 nan 0.000 0.265 611 P C -0.833 176.114 177.300 -0.589 0.000 1.193 611 P CA 0.082 63.039 63.100 -0.239 0.000 0.765 611 P CB 1.148 32.783 31.700 -0.109 0.000 0.823 612 A N 2.038 124.562 122.820 -0.493 0.000 2.594 612 A HA 0.877 5.197 4.320 0.001 0.000 0.291 612 A C -1.386 176.029 177.584 -0.281 0.000 1.105 612 A CA -0.299 51.424 52.037 -0.524 0.000 0.694 612 A CB 1.859 20.707 19.000 -0.253 0.000 1.291 612 A HN 0.662 nan 8.150 nan 0.000 0.410 613 A N 0.045 122.778 122.820 -0.145 0.000 2.612 613 A HA 0.847 5.167 4.320 0.001 0.000 0.293 613 A C -0.761 176.835 177.584 0.021 0.000 1.075 613 A CA -0.505 51.534 52.037 0.004 0.000 0.680 613 A CB 1.278 20.355 19.000 0.129 0.000 1.279 613 A HN 1.256 nan 8.150 nan 0.000 0.411 614 R N -0.183 120.332 120.500 0.025 0.000 2.778 614 R HA 0.797 5.137 4.340 0.001 0.000 0.277 614 R C -1.488 174.833 176.300 0.036 0.000 0.977 614 R CA -0.348 55.766 56.100 0.022 0.000 0.950 614 R CB 1.919 32.226 30.300 0.012 0.000 1.165 614 R HN 0.972 nan 8.270 nan 0.000 0.474 615 V N 1.126 121.060 119.914 0.034 0.000 2.760 615 V HA 0.500 4.621 4.120 0.001 0.000 0.309 615 V C -0.337 175.777 176.094 0.033 0.000 1.077 615 V CA -0.670 61.652 62.300 0.036 0.000 0.910 615 V CB 1.855 33.702 31.823 0.041 0.000 1.008 615 V HN 0.981 nan 8.190 nan 0.000 0.424 616 T N 1.260 115.834 114.554 0.033 0.000 3.010 616 T HA 0.228 4.579 4.350 0.001 0.000 0.252 616 T C 0.456 175.174 174.700 0.030 0.000 0.963 616 T CA 0.011 62.131 62.100 0.033 0.000 0.952 616 T CB 0.278 69.166 68.868 0.034 0.000 1.182 616 T HN 0.568 nan 8.240 nan 0.000 0.495 617 K N 2.264 122.681 120.400 0.028 0.000 2.211 617 K HA 0.363 4.684 4.320 0.001 0.000 0.275 617 K C 0.974 177.589 176.600 0.025 0.000 1.024 617 K CA -0.355 55.945 56.287 0.023 0.000 0.887 617 K CB 1.611 34.122 32.500 0.019 0.000 1.084 617 K HN -0.012 nan 8.250 nan 0.000 0.463 618 K N 2.603 123.011 120.400 0.013 0.000 2.218 618 K HA -0.246 4.075 4.320 0.001 0.000 0.205 618 K C 1.487 178.109 176.600 0.037 0.000 1.046 618 K CA 1.752 58.047 56.287 0.014 0.000 0.933 618 K CB -0.001 32.456 32.500 -0.072 0.000 0.728 618 K HN 0.717 nan 8.250 nan 0.000 0.454 619 A N 1.262 124.093 122.820 0.019 0.000 1.930 619 A HA -0.138 4.182 4.320 0.001 0.000 0.217 619 A C 1.338 178.946 177.584 0.041 0.000 1.175 619 A CA 1.747 53.800 52.037 0.027 0.000 0.627 619 A CB -0.217 18.791 19.000 0.012 0.000 0.815 619 A HN 0.402 nan 8.150 nan 0.000 0.443 620 D N -0.572 119.851 120.400 0.038 0.000 2.340 620 D HA 0.031 4.672 4.640 0.001 0.000 0.220 620 D C 1.526 177.853 176.300 0.044 0.000 1.039 620 D CA 0.038 54.060 54.000 0.037 0.000 0.866 620 D CB 0.096 40.916 40.800 0.033 0.000 0.913 620 D HN 0.300 nan 8.370 nan 0.000 0.523 621 L N 1.457 122.718 121.223 0.063 0.000 1.989 621 L HA -0.167 4.173 4.340 0.001 0.000 0.211 621 L C 2.247 179.139 176.870 0.037 0.000 1.071 621 L CA 1.778 56.657 54.840 0.065 0.000 0.749 621 L CB -0.283 41.848 42.059 0.121 0.000 0.890 621 L HN -0.149 nan 8.230 nan 0.000 0.431 622 R N -0.745 119.780 120.500 0.042 0.000 2.080 622 R HA -0.210 4.130 4.340 0.001 0.000 0.236 622 R C 2.268 178.565 176.300 -0.005 0.000 1.137 622 R CA 1.726 57.830 56.100 0.006 0.000 0.943 622 R CB -0.549 29.760 30.300 0.015 0.000 0.846 622 R HN 0.503 nan 8.270 nan 0.000 0.431 623 E N 0.481 120.685 120.200 0.006 0.000 2.110 623 E HA -0.202 4.149 4.350 0.001 0.000 0.193 623 E C 1.950 178.543 176.600 -0.012 0.000 0.988 623 E CA 1.140 57.538 56.400 -0.003 0.000 0.804 623 E CB 0.003 29.708 29.700 0.008 0.000 0.745 623 E HN 0.382 nan 8.360 nan 0.000 0.458 624 A N 1.163 123.985 122.820 0.003 0.000 1.858 624 A HA -0.173 4.148 4.320 0.001 0.000 0.216 624 A C 2.159 179.722 177.584 -0.034 0.000 1.190 624 A CA 1.343 53.385 52.037 0.008 0.000 0.617 624 A CB -0.654 18.368 19.000 0.037 0.000 0.827 624 A HN 0.286 nan 8.150 nan 0.000 0.443 625 I N -0.832 119.720 120.570 -0.030 0.000 2.179 625 I HA -0.298 3.872 4.170 0.001 0.000 0.242 625 I C 2.792 178.853 176.117 -0.093 0.000 1.088 625 I CA 1.871 63.139 61.300 -0.052 0.000 1.357 625 I CB -0.381 37.599 38.000 -0.034 0.000 1.051 625 I HN 0.410 nan 8.210 nan 0.000 0.409 626 Q N 0.874 120.630 119.800 -0.073 0.000 2.112 626 Q HA -0.202 4.138 4.340 0.001 0.000 0.206 626 Q C 2.074 178.000 176.000 -0.125 0.000 0.987 626 Q CA 2.571 58.327 55.803 -0.078 0.000 0.858 626 Q CB -0.483 28.225 28.738 -0.050 0.000 0.905 626 Q HN 0.413 nan 8.270 nan 0.000 0.420 627 T N 0.500 114.964 114.554 -0.150 0.000 2.674 627 T HA -0.195 4.156 4.350 0.001 0.000 0.265 627 T C 1.654 176.064 174.700 -0.484 0.000 1.039 627 T CA 1.562 63.531 62.100 -0.220 0.000 1.150 627 T CB -0.378 68.400 68.868 -0.149 0.000 0.864 627 T HN 0.477 nan 8.240 nan 0.000 0.427 628 M N 0.653 119.845 119.600 -0.680 0.000 2.082 628 M HA -0.135 4.345 4.480 0.001 0.000 0.258 628 M C 1.988 178.004 176.300 -0.473 0.000 1.069 628 M CA 1.819 56.493 55.300 -1.043 0.000 1.102 628 M CB -0.375 31.952 32.600 -0.455 0.000 1.336 628 M HN 0.222 nan 8.290 nan 0.000 0.404 629 L N -0.118 120.958 121.223 -0.245 0.000 2.027 629 L HA -0.230 4.111 4.340 0.001 0.000 0.206 629 L C 2.073 178.881 176.870 -0.102 0.000 1.074 629 L CA 1.276 56.044 54.840 -0.119 0.000 0.745 629 L CB -1.004 41.014 42.059 -0.068 0.000 0.898 629 L HN 0.324 nan 8.230 nan 0.000 0.433 630 D N -0.852 119.477 120.400 -0.119 0.000 2.224 630 D HA -0.063 4.577 4.640 0.001 0.000 0.205 630 D C 0.792 177.056 176.300 -0.061 0.000 0.965 630 D CA 0.717 54.673 54.000 -0.074 0.000 0.852 630 D CB -0.218 40.544 40.800 -0.062 0.000 0.947 630 D HN 0.232 nan 8.370 nan 0.000 0.494 631 T N 3.562 118.052 114.554 -0.107 0.000 2.784 631 T HA 0.190 4.540 4.350 0.001 0.000 0.291 631 T C -2.349 172.370 174.700 0.032 0.000 0.942 631 T CA -1.103 60.986 62.100 -0.019 0.000 1.161 631 T CB 1.191 70.072 68.868 0.020 0.000 0.885 631 T HN -0.069 nan 8.240 nan 0.000 0.534 632 P HA 0.363 nan 4.420 nan 0.000 0.268 632 P C 0.765 178.113 177.300 0.079 0.000 1.205 632 P CA 0.744 63.875 63.100 0.052 0.000 0.771 632 P CB 0.362 32.088 31.700 0.043 0.000 0.858 633 G N 3.134 111.979 108.800 0.075 0.000 2.660 633 G HA2 -0.116 3.844 3.960 0.001 0.000 0.215 633 G HA3 -0.116 3.844 3.960 0.001 0.000 0.215 633 G C -2.968 172.002 174.900 0.116 0.000 1.345 633 G CA -1.040 44.111 45.100 0.086 0.000 0.877 633 G HN 0.409 nan 8.290 nan 0.000 0.549 634 P HA 0.500 nan 4.420 nan 0.000 0.269 634 P C -0.854 176.562 177.300 0.192 0.000 1.215 634 P CA 0.274 63.452 63.100 0.129 0.000 0.780 634 P CB 0.467 32.221 31.700 0.091 0.000 0.898 635 Y N 1.642 121.966 120.300 0.040 0.000 2.521 635 Y HA 0.498 5.048 4.550 0.001 0.000 0.332 635 Y C -1.845 174.068 175.900 0.020 0.000 1.121 635 Y CA -1.200 56.918 58.100 0.030 0.000 1.037 635 Y CB 1.484 39.957 38.460 0.023 0.000 1.330 635 Y HN 0.227 nan 8.280 nan 0.000 0.452 636 L N 6.968 128.076 121.223 -0.192 0.000 2.343 636 L HA 0.641 4.982 4.340 0.001 0.000 0.278 636 L C -2.225 174.615 176.870 -0.050 0.000 0.996 636 L CA -0.715 54.077 54.840 -0.081 0.000 0.831 636 L CB 1.304 43.288 42.059 -0.125 0.000 1.232 636 L HN 0.601 nan 8.230 nan 0.000 0.413 637 L N 4.743 126.021 121.223 0.092 0.000 2.276 637 L HA 0.506 4.846 4.340 0.001 0.000 0.286 637 L C -0.824 176.041 176.870 -0.009 0.000 1.024 637 L CA -0.046 54.862 54.840 0.113 0.000 0.826 637 L CB 1.079 43.242 42.059 0.173 0.000 1.211 637 L HN 0.677 nan 8.230 nan 0.000 0.422 638 D N 4.009 124.392 120.400 -0.029 0.000 2.365 638 D HA 0.222 4.862 4.640 0.001 0.000 0.237 638 D C -0.862 175.429 176.300 -0.014 0.000 1.190 638 D CA -0.026 53.940 54.000 -0.057 0.000 0.867 638 D CB 0.840 41.605 40.800 -0.057 0.000 1.050 638 D HN 0.277 nan 8.370 nan 0.000 0.491 639 V N 5.922 125.828 119.914 -0.013 0.000 2.334 639 V HA 0.196 4.317 4.120 0.001 0.000 0.267 639 V C 0.352 176.458 176.094 0.020 0.000 1.040 639 V CA -0.873 61.433 62.300 0.010 0.000 0.866 639 V CB 0.721 32.551 31.823 0.012 0.000 1.019 639 V HN 0.450 nan 8.190 nan 0.000 0.468 640 I N 4.363 124.951 120.570 0.030 0.000 2.496 640 I HA 0.278 4.448 4.170 0.001 0.000 0.285 640 I C 0.298 176.445 176.117 0.051 0.000 1.080 640 I CA 0.272 61.601 61.300 0.049 0.000 1.404 640 I CB 0.583 38.615 38.000 0.053 0.000 1.403 640 I HN 0.558 nan 8.210 nan 0.000 0.539 641 C N 7.263 126.606 119.300 0.073 0.000 2.712 641 C HA 0.504 4.965 4.460 0.001 0.000 0.308 641 C C -2.251 172.795 174.990 0.094 0.000 1.201 641 C CA -1.176 57.877 59.018 0.059 0.000 1.554 641 C CB 2.293 30.060 27.740 0.045 0.000 2.117 641 C HN 0.590 nan 8.230 nan 0.000 0.480 642 P HA 0.125 nan 4.420 nan 0.000 0.276 642 P C 0.431 177.762 177.300 0.051 0.000 1.235 642 P CA 0.431 63.549 63.100 0.031 0.000 0.772 642 P CB 0.383 32.021 31.700 -0.103 0.000 0.871 643 H N 4.086 123.169 119.070 0.021 0.000 2.524 643 H HA -0.085 4.472 4.556 0.001 0.000 0.282 643 H C 0.978 176.296 175.328 -0.016 0.000 1.016 643 H CA 0.840 56.895 56.048 0.010 0.000 1.270 643 H CB -0.330 29.355 29.762 -0.129 0.000 1.394 643 H HN 0.394 nan 8.280 nan 0.000 0.568 644 Q N 1.226 120.682 119.800 -0.574 0.000 2.515 644 Q HA 0.008 4.349 4.340 0.001 0.000 0.212 644 Q C -0.100 175.796 176.000 -0.172 0.000 0.970 644 Q CA 0.262 55.810 55.803 -0.425 0.000 0.941 644 Q CB -0.010 28.407 28.738 -0.535 0.000 0.998 644 Q HN 0.436 nan 8.270 nan 0.000 0.518 645 E N 1.718 121.925 120.200 0.013 0.000 2.392 645 E HA 0.118 4.469 4.350 0.001 0.000 0.264 645 E C -0.585 176.314 176.600 0.497 0.000 1.024 645 E CA 0.273 56.795 56.400 0.202 0.000 0.903 645 E CB 0.512 30.346 29.700 0.223 0.000 0.963 645 E HN 0.316 nan 8.360 nan 0.000 0.432 646 H N -0.107 119.151 119.070 0.313 0.000 2.637 646 H HA 0.317 4.874 4.556 0.001 0.000 0.363 646 H C -0.560 174.997 175.328 0.381 0.000 1.131 646 H CA -1.044 55.171 56.048 0.278 0.000 1.183 646 H CB 1.791 31.647 29.762 0.156 0.000 1.637 646 H HN 0.141 nan 8.280 nan 0.000 0.531 647 V N 5.392 125.464 119.914 0.264 0.000 2.508 647 V HA 0.142 4.262 4.120 0.001 0.000 0.281 647 V C 0.106 176.341 176.094 0.235 0.000 1.041 647 V CA 0.185 62.566 62.300 0.135 0.000 1.016 647 V CB 0.384 31.896 31.823 -0.518 0.000 0.984 647 V HN 0.436 nan 8.190 nan 0.000 0.478 648 L N 6.728 128.155 121.223 0.340 0.000 2.424 648 L HA 0.590 4.930 4.340 0.001 0.000 0.258 648 L C -2.327 174.722 176.870 0.299 0.000 0.995 648 L CA -1.770 53.259 54.840 0.315 0.000 0.821 648 L CB 3.038 45.269 42.059 0.287 0.000 1.383 648 L HN 0.417 nan 8.230 nan 0.000 0.410 649 P HA 0.243 nan 4.420 nan 0.000 0.286 649 P C -1.293 176.159 177.300 0.252 0.000 1.293 649 P CA -0.479 62.752 63.100 0.218 0.000 0.770 649 P CB 1.280 33.084 31.700 0.172 0.000 1.206 650 M N 0.343 120.032 119.600 0.149 0.000 2.284 650 M HA 0.392 4.872 4.480 0.001 0.000 0.281 650 M C -1.927 174.361 176.300 -0.021 0.000 1.083 650 M CA -0.600 54.733 55.300 0.056 0.000 0.965 650 M CB 1.466 34.139 32.600 0.122 0.000 1.717 650 M HN 0.148 nan 8.290 nan 0.000 0.479 651 I N 7.542 128.065 120.570 -0.079 0.000 2.354 651 I HA 0.393 4.564 4.170 0.001 0.000 0.286 651 I C -1.927 174.152 176.117 -0.063 0.000 1.007 651 I CA -1.820 59.449 61.300 -0.051 0.000 1.167 651 I CB 1.625 39.613 38.000 -0.020 0.000 1.320 651 I HN 0.470 nan 8.210 nan 0.000 0.458 652 P HA -0.078 nan 4.420 nan 0.000 0.266 652 P C 0.048 177.314 177.300 -0.057 0.000 1.193 652 P CA 0.049 63.085 63.100 -0.107 0.000 0.770 652 P CB 0.662 32.281 31.700 -0.135 0.000 0.836 653 S N 1.600 117.305 115.700 0.007 0.000 2.626 653 S HA 0.229 4.700 4.470 0.001 0.000 0.303 653 S C 1.520 176.119 174.600 -0.002 0.000 1.256 653 S CA 1.043 59.278 58.200 0.059 0.000 1.069 653 S CB -1.462 61.840 63.200 0.170 0.000 0.807 653 S HN 0.927 nan 8.310 nan 0.000 0.500 654 G N 3.280 112.078 108.800 -0.003 0.000 2.143 654 G HA2 -0.173 3.787 3.960 0.001 0.000 0.248 654 G HA3 -0.173 3.787 3.960 0.001 0.000 0.248 654 G C 0.497 175.393 174.900 -0.007 0.000 0.991 654 G CA 0.210 45.305 45.100 -0.008 0.000 0.689 654 G HN 1.214 nan 8.290 nan 0.000 0.522 655 G N -1.462 107.333 108.800 -0.009 0.000 2.537 655 G HA2 0.702 4.662 3.960 0.001 0.000 0.297 655 G HA3 0.702 4.662 3.960 0.001 0.000 0.297 655 G C -0.035 174.880 174.900 0.026 0.000 1.310 655 G CA 0.502 45.601 45.100 -0.002 0.000 1.027 655 G HN 0.560 nan 8.290 nan 0.000 0.505 656 T N -0.774 113.800 114.554 0.033 0.000 2.940 656 T HA 0.258 4.609 4.350 0.001 0.000 0.288 656 T C 0.638 175.393 174.700 0.092 0.000 1.045 656 T CA -0.344 61.799 62.100 0.072 0.000 1.018 656 T CB 1.705 70.609 68.868 0.061 0.000 1.151 656 T HN 0.338 nan 8.240 nan 0.000 0.529 657 F N 1.948 121.892 119.950 -0.011 0.000 2.250 657 F HA -0.104 4.423 4.527 0.001 0.000 0.301 657 F C 1.462 177.265 175.800 0.005 0.000 1.077 657 F CA 1.420 59.411 58.000 -0.015 0.000 1.348 657 F CB -0.516 38.449 39.000 -0.059 0.000 1.040 657 F HN 0.482 nan 8.300 nan 0.000 0.509 658 N N -0.103 118.562 118.700 -0.058 0.000 2.521 658 N HA -0.059 4.681 4.740 0.001 0.000 0.188 658 N C 0.532 175.974 175.510 -0.113 0.000 1.146 658 N CA 0.891 53.871 53.050 -0.116 0.000 0.893 658 N CB -0.200 38.291 38.487 0.007 0.000 0.975 658 N HN 0.252 nan 8.380 nan 0.000 0.451 659 D N -0.341 120.001 120.400 -0.097 0.000 2.369 659 D HA 0.038 4.679 4.640 0.001 0.000 0.211 659 D C 0.045 176.297 176.300 -0.080 0.000 1.077 659 D CA -0.064 53.898 54.000 -0.063 0.000 0.842 659 D CB 0.177 40.959 40.800 -0.030 0.000 0.947 659 D HN -0.002 nan 8.370 nan 0.000 0.509 660 V N 1.665 121.486 119.914 -0.156 0.000 2.617 660 V HA -0.014 4.106 4.120 0.001 0.000 0.304 660 V C 0.091 176.149 176.094 -0.059 0.000 1.040 660 V CA 0.109 62.332 62.300 -0.128 0.000 1.149 660 V CB 0.243 31.918 31.823 -0.246 0.000 0.914 660 V HN -0.013 nan 8.190 nan 0.000 0.487 661 I N 6.356 126.923 120.570 -0.004 0.000 2.336 661 I HA 0.339 4.509 4.170 0.001 0.000 0.292 661 I C 1.004 177.166 176.117 0.075 0.000 0.991 661 I CA -0.049 61.268 61.300 0.029 0.000 1.227 661 I CB 1.740 39.755 38.000 0.026 0.000 1.366 661 I HN 0.817 nan 8.210 nan 0.000 0.466 662 T N 0.272 114.879 114.554 0.088 0.000 3.040 662 T HA 0.399 4.749 4.350 0.001 0.000 0.266 662 T C 0.297 175.058 174.700 0.101 0.000 1.005 662 T CA -0.216 61.957 62.100 0.123 0.000 0.906 662 T CB 0.240 69.204 68.868 0.160 0.000 1.082 662 T HN 0.553 nan 8.240 nan 0.000 0.531 663 E N -0.302 119.946 120.200 0.081 0.000 2.449 663 E HA 0.620 4.971 4.350 0.001 0.000 0.278 663 E C -0.431 176.209 176.600 0.067 0.000 0.992 663 E CA -0.457 55.984 56.400 0.069 0.000 0.807 663 E CB 2.030 31.750 29.700 0.032 0.000 1.350 663 E HN 0.502 nan 8.360 nan 0.000 0.462 664 G N 1.343 110.175 108.800 0.053 0.000 2.619 664 G HA2 0.221 4.182 3.960 0.001 0.000 0.686 664 G HA3 0.221 4.182 3.960 0.001 0.000 0.686 664 G C -1.344 173.544 174.900 -0.020 0.000 1.256 664 G CA -0.203 44.906 45.100 0.015 0.000 0.826 664 G HN 0.758 nan 8.290 nan 0.000 0.619 665 D N -2.247 118.022 120.400 -0.218 0.000 2.946 665 D HA 0.588 5.228 4.640 0.001 0.000 0.337 665 D C 1.186 176.996 176.300 -0.817 0.000 1.332 665 D CA 0.468 54.065 54.000 -0.673 0.000 0.935 665 D CB 0.262 40.870 40.800 -0.320 0.000 1.440 665 D HN 1.367 nan 8.370 nan 0.000 0.540 666 G N -1.110 107.194 108.800 -0.827 0.000 2.920 666 G HA2 0.098 4.059 3.960 0.001 0.000 0.208 666 G HA3 0.098 4.059 3.960 0.001 0.000 0.208 666 G C 0.347 175.083 174.900 -0.273 0.000 1.159 666 G CA -0.085 44.773 45.100 -0.404 0.000 0.784 666 G HN 0.233 nan 8.290 nan 0.000 0.535 667 R N 0.000 120.333 120.500 -0.278 0.000 2.786 667 R HA 0.000 4.340 4.340 0.001 0.000 0.208 667 R CA 0.000 55.974 56.100 -0.210 0.000 0.921 667 R CB 0.000 30.161 30.300 -0.232 0.000 0.687 667 R HN 0.000 nan 8.270 nan 0.000 0.535