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 1yhy_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 0.000 174.753 174.700 0.089 0.000 1.109 86 T CA 0.000 62.128 62.100 0.047 0.000 1.349 86 T CB 0.000 68.898 68.868 0.049 0.000 0.612 87 F N 1.170 121.078 119.950 -0.071 0.000 2.581 87 F HA 0.694 5.222 4.527 0.001 0.000 0.311 87 F C -1.081 174.663 175.800 -0.093 0.000 1.113 87 F CA -1.347 56.593 58.000 -0.101 0.000 0.935 87 F CB 1.476 40.380 39.000 -0.159 0.000 1.232 87 F HN 0.266 nan 8.300 nan 0.000 0.445 88 I N 3.659 123.725 120.570 -0.840 0.000 2.382 88 I HA 0.682 4.853 4.170 0.001 0.000 0.285 88 I C -0.097 175.674 176.117 -0.577 0.000 1.007 88 I CA -0.516 60.494 61.300 -0.484 0.000 1.142 88 I CB 0.938 38.736 38.000 -0.338 0.000 1.289 88 I HN 0.703 nan 8.210 nan 0.000 0.453 89 S N 3.487 119.143 115.700 -0.074 0.000 2.614 89 S HA 0.443 4.914 4.470 0.001 0.000 0.265 89 S C 1.196 175.788 174.600 -0.014 0.000 1.303 89 S CA -0.186 58.107 58.200 0.155 0.000 1.000 89 S CB 0.578 63.988 63.200 0.350 0.000 0.935 89 S HN 0.759 nan 8.310 nan 0.000 0.551 90 R N 0.517 120.973 120.500 -0.073 0.000 2.334 90 R HA 0.226 4.567 4.340 0.001 0.000 0.216 90 R C -0.821 175.087 176.300 -0.653 0.000 0.905 90 R CA 0.198 56.047 56.100 -0.417 0.000 1.064 90 R CB 0.043 29.982 30.300 -0.601 0.000 1.046 90 R HN 0.466 nan 8.270 nan 0.000 0.508 91 F N -0.376 119.613 119.950 0.066 0.000 2.593 91 F HA 0.540 5.067 4.527 0.001 0.000 0.320 91 F C 0.253 176.099 175.800 0.076 0.000 1.060 91 F CA -1.663 56.380 58.000 0.072 0.000 0.940 91 F CB 0.852 39.910 39.000 0.097 0.000 1.268 91 F HN -0.211 nan 8.300 nan 0.000 0.475 92 A N 1.658 124.627 122.820 0.249 0.000 2.388 92 A HA 0.445 4.765 4.320 0.001 0.000 0.257 92 A C -1.927 175.762 177.584 0.176 0.000 1.095 92 A CA -1.260 50.873 52.037 0.161 0.000 0.791 92 A CB -0.003 19.064 19.000 0.111 0.000 1.029 92 A HN 0.628 nan 8.150 nan 0.000 0.489 93 P HA -0.147 nan 4.420 nan 0.000 0.224 93 P C 0.433 177.790 177.300 0.095 0.000 1.142 93 P CA 1.706 64.891 63.100 0.142 0.000 0.778 93 P CB 0.197 31.968 31.700 0.119 0.000 0.764 94 D N -2.649 117.799 120.400 0.081 0.000 2.433 94 D HA -0.015 4.625 4.640 0.001 0.000 0.211 94 D C 0.534 176.863 176.300 0.049 0.000 1.114 94 D CA -0.022 54.008 54.000 0.050 0.000 0.837 94 D CB -0.315 40.510 40.800 0.040 0.000 0.984 94 D HN 0.180 nan 8.370 nan 0.000 0.505 95 Q N 1.650 121.499 119.800 0.081 0.000 2.295 95 Q HA 0.304 4.644 4.340 0.001 0.000 0.259 95 Q C -2.563 173.461 176.000 0.040 0.000 0.976 95 Q CA -1.688 54.166 55.803 0.085 0.000 0.923 95 Q CB 1.411 30.244 28.738 0.159 0.000 1.185 95 Q HN -0.109 nan 8.270 nan 0.000 0.410 96 P HA 0.233 nan 4.420 nan 0.000 0.279 96 P C -1.628 175.626 177.300 -0.078 0.000 1.239 96 P CA -0.357 62.715 63.100 -0.046 0.000 0.789 96 P CB 0.936 32.617 31.700 -0.031 0.000 0.933 97 R N 0.539 120.938 120.500 -0.169 0.000 2.764 97 R HA 0.506 4.846 4.340 0.001 0.000 0.270 97 R C -0.803 175.387 176.300 -0.183 0.000 1.014 97 R CA -1.154 54.809 56.100 -0.229 0.000 0.904 97 R CB 0.297 30.221 30.300 -0.627 0.000 1.236 97 R HN 0.132 nan 8.270 nan 0.000 0.466 98 K N 0.323 120.648 120.400 -0.124 0.000 2.518 98 K HA 0.055 4.375 4.320 0.001 0.000 0.276 98 K C 1.318 177.861 176.600 -0.096 0.000 0.974 98 K CA 0.809 57.048 56.287 -0.080 0.000 0.986 98 K CB 0.371 32.851 32.500 -0.033 0.000 0.901 98 K HN 0.844 nan 8.250 nan 0.000 0.497 99 G N 1.897 110.654 108.800 -0.073 0.000 2.442 99 G HA2 -0.324 3.637 3.960 0.001 0.000 0.219 99 G HA3 -0.324 3.637 3.960 0.001 0.000 0.219 99 G C 1.482 176.355 174.900 -0.046 0.000 1.141 99 G CA 1.081 46.139 45.100 -0.071 0.000 0.763 99 G HN 0.697 nan 8.290 nan 0.000 0.554 100 A N 1.057 123.861 122.820 -0.027 0.000 1.908 100 A HA -0.099 4.221 4.320 0.001 0.000 0.218 100 A C 2.091 179.680 177.584 0.008 0.000 1.181 100 A CA 1.999 54.033 52.037 -0.006 0.000 0.627 100 A CB -0.440 18.564 19.000 0.006 0.000 0.818 100 A HN 0.332 nan 8.150 nan 0.000 0.445 101 D N -0.285 120.111 120.400 -0.006 0.000 2.178 101 D HA -0.076 4.565 4.640 0.001 0.000 0.202 101 D C 1.872 178.184 176.300 0.019 0.000 0.974 101 D CA 1.114 55.125 54.000 0.019 0.000 0.841 101 D CB -0.151 40.611 40.800 -0.063 0.000 0.953 101 D HN 0.539 nan 8.370 nan 0.000 0.478 102 I N 0.695 121.251 120.570 -0.024 0.000 2.353 102 I HA -0.210 3.960 4.170 0.001 0.000 0.248 102 I C 2.366 178.580 176.117 0.161 0.000 1.119 102 I CA 0.306 61.649 61.300 0.070 0.000 1.417 102 I CB -0.049 37.899 38.000 -0.086 0.000 1.078 102 I HN 0.000 nan 8.210 nan 0.000 0.421 103 L N 0.610 121.874 121.223 0.068 0.000 2.046 103 L HA -0.122 4.218 4.340 0.001 0.000 0.208 103 L C 2.317 179.236 176.870 0.082 0.000 1.077 103 L CA 1.819 56.700 54.840 0.069 0.000 0.747 103 L CB -0.548 41.527 42.059 0.027 0.000 0.896 103 L HN -0.038 nan 8.230 nan 0.000 0.432 104 V N -0.096 119.863 119.914 0.076 0.000 2.307 104 V HA -0.264 3.856 4.120 0.001 0.000 0.245 104 V C 2.601 178.739 176.094 0.073 0.000 1.045 104 V CA 1.898 64.238 62.300 0.067 0.000 1.024 104 V CB -0.621 31.245 31.823 0.072 0.000 0.651 104 V HN 0.609 nan 8.190 nan 0.000 0.449 105 E N 0.248 120.522 120.200 0.124 0.000 2.153 105 E HA -0.210 4.140 4.350 0.001 0.000 0.194 105 E C 2.171 178.656 176.600 -0.191 0.000 0.988 105 E CA 1.170 57.592 56.400 0.037 0.000 0.811 105 E CB -0.186 29.580 29.700 0.109 0.000 0.746 105 E HN 0.578 nan 8.360 nan 0.000 0.466 106 A N 0.796 123.637 122.820 0.035 0.000 1.972 106 A HA -0.145 4.175 4.320 0.001 0.000 0.219 106 A C 2.113 179.604 177.584 -0.155 0.000 1.169 106 A CA 1.038 53.099 52.037 0.040 0.000 0.635 106 A CB -0.469 18.661 19.000 0.217 0.000 0.810 106 A HN 0.301 nan 8.150 nan 0.000 0.446 107 L N -0.888 120.275 121.223 -0.100 0.000 2.044 107 L HA -0.153 4.187 4.340 0.001 0.000 0.205 107 L C 2.561 179.329 176.870 -0.171 0.000 1.075 107 L CA 1.461 56.214 54.840 -0.145 0.000 0.747 107 L CB -0.660 41.395 42.059 -0.007 0.000 0.903 107 L HN 0.445 nan 8.230 nan 0.000 0.435 108 E N 0.268 120.414 120.200 -0.090 0.000 2.110 108 E HA -0.217 4.133 4.350 0.001 0.000 0.193 108 E C 2.193 178.757 176.600 -0.059 0.000 0.988 108 E CA 0.959 57.364 56.400 0.007 0.000 0.804 108 E CB -0.117 29.688 29.700 0.175 0.000 0.745 108 E HN 0.405 nan 8.360 nan 0.000 0.458 109 R N 0.397 120.660 120.500 -0.394 0.000 2.280 109 R HA -0.031 4.309 4.340 0.001 0.000 0.207 109 R C 1.715 177.801 176.300 -0.356 0.000 1.043 109 R CA 0.551 56.277 56.100 -0.623 0.000 1.006 109 R CB 0.168 29.867 30.300 -1.002 0.000 0.885 109 R HN 0.108 nan 8.270 nan 0.000 0.467 110 Q N -0.875 118.718 119.800 -0.345 0.000 2.319 110 Q HA 0.124 4.465 4.340 0.001 0.000 0.202 110 Q C 0.903 176.774 176.000 -0.215 0.000 0.896 110 Q CA 0.649 56.216 55.803 -0.394 0.000 0.942 110 Q CB 1.526 29.718 28.738 -0.909 0.000 1.083 110 Q HN 0.505 nan 8.270 nan 0.000 0.510 111 G N 0.571 109.303 108.800 -0.113 0.000 2.141 111 G HA2 -0.244 3.716 3.960 0.001 0.000 0.242 111 G HA3 -0.244 3.716 3.960 0.001 0.000 0.242 111 G C 0.230 175.144 174.900 0.024 0.000 0.982 111 G CA 0.227 45.319 45.100 -0.013 0.000 0.662 111 G HN 0.207 nan 8.290 nan 0.000 0.527 112 V N 0.436 120.344 119.914 -0.010 0.000 2.585 112 V HA 0.295 4.416 4.120 0.001 0.000 0.296 112 V C 1.235 177.353 176.094 0.040 0.000 1.035 112 V CA 1.321 63.650 62.300 0.048 0.000 1.084 112 V CB 1.284 33.132 31.823 0.041 0.000 0.953 112 V HN 0.538 nan 8.190 nan 0.000 0.483 113 E N 1.586 121.822 120.200 0.060 0.000 2.474 113 E HA 0.149 4.500 4.350 0.001 0.000 0.215 113 E C -0.064 176.524 176.600 -0.021 0.000 0.867 113 E CA 0.204 56.628 56.400 0.040 0.000 1.135 113 E CB 1.043 30.797 29.700 0.090 0.000 1.147 113 E HN 0.785 nan 8.360 nan 0.000 0.534 114 T N 0.986 115.484 114.554 -0.093 0.000 2.912 114 T HA 0.554 4.904 4.350 0.001 0.000 0.299 114 T C -0.603 173.845 174.700 -0.419 0.000 1.052 114 T CA -0.878 61.044 62.100 -0.297 0.000 0.996 114 T CB 2.278 70.915 68.868 -0.385 0.000 1.070 114 T HN 0.011 nan 8.240 nan 0.000 0.465 115 V N -1.137 118.481 119.914 -0.494 0.000 3.049 115 V HA 0.850 4.970 4.120 0.001 0.000 0.309 115 V C -1.867 173.887 176.094 -0.566 0.000 1.148 115 V CA -1.393 60.691 62.300 -0.361 0.000 0.990 115 V CB 1.875 33.608 31.823 -0.151 0.000 1.039 115 V HN 0.788 nan 8.190 nan 0.000 0.430 116 F N 2.437 122.348 119.950 -0.064 0.000 2.359 116 F HA 0.881 5.408 4.527 0.001 0.000 0.369 116 F C 0.577 176.397 175.800 0.034 0.000 1.084 116 F CA -0.170 57.824 58.000 -0.010 0.000 1.096 116 F CB 1.479 40.469 39.000 -0.016 0.000 1.335 116 F HN 0.928 nan 8.300 nan 0.000 0.457 117 A N 2.852 125.769 122.820 0.161 0.000 2.355 117 A HA 0.667 4.987 4.320 0.001 0.000 0.317 117 A C -2.068 175.713 177.584 0.328 0.000 1.094 117 A CA -0.672 51.497 52.037 0.220 0.000 0.764 117 A CB 0.854 19.911 19.000 0.096 0.000 1.230 117 A HN 0.607 nan 8.150 nan 0.000 0.448 118 Y N 4.689 125.095 120.300 0.176 0.000 2.356 118 Y HA 0.476 5.026 4.550 0.001 0.000 0.334 118 Y C -2.204 173.692 175.900 -0.005 0.000 0.958 118 Y CA -2.250 55.880 58.100 0.051 0.000 1.196 118 Y CB 1.729 40.186 38.460 -0.004 0.000 1.137 118 Y HN 0.530 nan 8.280 nan 0.000 0.485 119 P HA 0.247 nan 4.420 nan 0.000 0.266 119 P C -0.346 176.829 177.300 -0.208 0.000 1.195 119 P CA 0.344 63.040 63.100 -0.674 0.000 0.768 119 P CB 1.404 32.529 31.700 -0.958 0.000 0.838 120 G N 0.657 109.421 108.800 -0.061 0.000 2.684 120 G HA2 0.469 4.429 3.960 0.001 0.000 0.290 120 G HA3 0.469 4.429 3.960 0.001 0.000 0.290 120 G C 0.846 175.759 174.900 0.022 0.000 1.425 120 G CA -0.186 44.919 45.100 0.008 0.000 0.822 120 G HN 0.436 nan 8.290 nan 0.000 0.482 121 G N 0.237 109.059 108.800 0.036 0.000 2.529 121 G HA2 0.035 3.996 3.960 0.001 0.000 0.219 121 G HA3 0.035 3.996 3.960 0.001 0.000 0.219 121 G C 1.905 176.841 174.900 0.060 0.000 1.177 121 G CA 2.021 47.160 45.100 0.065 0.000 0.773 121 G HN 1.419 nan 8.290 nan 0.000 0.573 122 A N 0.358 123.203 122.820 0.043 0.000 2.209 122 A HA 0.240 4.560 4.320 0.001 0.000 0.212 122 A C 2.285 179.900 177.584 0.051 0.000 1.158 122 A CA 1.965 54.025 52.037 0.039 0.000 0.742 122 A CB -0.199 18.808 19.000 0.013 0.000 0.790 122 A HN 0.805 nan 8.150 nan 0.000 0.472 123 S N -2.063 113.685 115.700 0.081 0.000 2.629 123 S HA 0.243 4.713 4.470 0.001 0.000 0.236 123 S C 1.461 176.173 174.600 0.187 0.000 1.010 123 S CA 0.100 58.373 58.200 0.122 0.000 0.981 123 S CB -0.401 62.897 63.200 0.162 0.000 0.919 123 S HN 0.391 nan 8.310 nan 0.000 0.514 124 M N 1.655 121.331 119.600 0.126 0.000 2.082 124 M HA -0.139 4.341 4.480 0.001 0.000 0.258 124 M C 2.140 178.507 176.300 0.111 0.000 1.069 124 M CA 1.706 57.073 55.300 0.110 0.000 1.102 124 M CB -0.474 32.158 32.600 0.053 0.000 1.336 124 M HN 0.331 nan 8.290 nan 0.000 0.404 125 E N 0.533 120.777 120.200 0.073 0.000 2.058 125 E HA -0.183 4.167 4.350 0.001 0.000 0.194 125 E C 1.918 178.546 176.600 0.046 0.000 0.997 125 E CA 1.417 57.848 56.400 0.052 0.000 0.801 125 E CB -0.486 29.233 29.700 0.033 0.000 0.746 125 E HN 0.600 nan 8.360 nan 0.000 0.450 126 I N 0.752 121.340 120.570 0.030 0.000 2.208 126 I HA -0.274 3.896 4.170 0.001 0.000 0.245 126 I C 2.486 178.552 176.117 -0.084 0.000 1.097 126 I CA 1.129 62.407 61.300 -0.036 0.000 1.363 126 I CB -0.436 37.514 38.000 -0.083 0.000 1.051 126 I HN 0.171 nan 8.210 nan 0.000 0.413 127 H N 0.569 119.641 119.070 0.004 0.000 2.389 127 H HA -0.111 4.446 4.556 0.001 0.000 0.299 127 H C 2.281 177.609 175.328 -0.001 0.000 1.081 127 H CA 1.091 57.135 56.048 -0.007 0.000 1.345 127 H CB 0.035 29.782 29.762 -0.024 0.000 1.393 127 H HN 0.404 nan 8.280 nan 0.000 0.520 128 Q N 0.341 120.208 119.800 0.113 0.000 2.084 128 Q HA -0.049 4.292 4.340 0.001 0.000 0.202 128 Q C 2.495 178.530 176.000 0.059 0.000 0.978 128 Q CA 1.059 56.905 55.803 0.072 0.000 0.844 128 Q CB -0.340 28.435 28.738 0.061 0.000 0.898 128 Q HN 0.413 nan 8.270 nan 0.000 0.426 129 A N 0.568 123.420 122.820 0.053 0.000 1.969 129 A HA -0.131 4.189 4.320 0.001 0.000 0.218 129 A C 2.084 179.697 177.584 0.049 0.000 1.169 129 A CA 0.841 52.917 52.037 0.065 0.000 0.635 129 A CB -0.399 18.635 19.000 0.057 0.000 0.810 129 A HN 0.236 nan 8.150 nan 0.000 0.445 130 L N 0.573 121.803 121.223 0.012 0.000 2.017 130 L HA -0.145 4.195 4.340 0.001 0.000 0.208 130 L C 2.930 179.806 176.870 0.010 0.000 1.073 130 L CA 2.640 57.475 54.840 -0.008 0.000 0.745 130 L CB -1.340 40.685 42.059 -0.057 0.000 0.894 130 L HN 0.647 nan 8.230 nan 0.000 0.432 131 T N -3.912 110.657 114.554 0.024 0.000 3.007 131 T HA -0.163 4.187 4.350 0.001 0.000 0.270 131 T C 1.940 176.648 174.700 0.014 0.000 1.107 131 T CA 0.780 62.891 62.100 0.018 0.000 1.118 131 T CB -0.315 68.567 68.868 0.023 0.000 0.889 131 T HN 0.279 nan 8.240 nan 0.000 0.506 132 R N 1.050 121.566 120.500 0.027 0.000 2.240 132 R HA 0.246 4.587 4.340 0.001 0.000 0.203 132 R C 1.288 177.591 176.300 0.006 0.000 1.011 132 R CA 0.172 56.285 56.100 0.022 0.000 1.007 132 R CB 0.073 30.410 30.300 0.062 0.000 0.911 132 R HN 0.357 nan 8.270 nan 0.000 0.468 133 S N -0.197 115.512 115.700 0.015 0.000 2.584 133 S HA 0.105 4.576 4.470 0.001 0.000 0.273 133 S C 1.064 175.655 174.600 -0.016 0.000 1.311 133 S CA -0.548 57.655 58.200 0.006 0.000 1.034 133 S CB 1.352 64.563 63.200 0.017 0.000 0.939 133 S HN 0.261 nan 8.310 nan 0.000 0.513 134 S N 2.034 117.717 115.700 -0.029 0.000 2.524 134 S HA 0.043 4.514 4.470 0.001 0.000 0.222 134 S C 1.576 176.157 174.600 -0.032 0.000 1.040 134 S CA 0.395 58.574 58.200 -0.035 0.000 0.915 134 S CB -0.306 62.864 63.200 -0.050 0.000 0.831 134 S HN 0.816 nan 8.310 nan 0.000 0.492 135 S N 1.131 116.813 115.700 -0.029 0.000 2.501 135 S HA 0.378 4.848 4.470 0.001 0.000 0.220 135 S C 0.446 175.039 174.600 -0.012 0.000 0.997 135 S CA -0.400 57.788 58.200 -0.021 0.000 0.919 135 S CB -0.552 62.636 63.200 -0.021 0.000 0.778 135 S HN 0.493 nan 8.310 nan 0.000 0.523 136 I N 3.030 123.590 120.570 -0.016 0.000 2.339 136 I HA 0.424 4.595 4.170 0.001 0.000 0.290 136 I C -0.036 176.051 176.117 -0.049 0.000 0.994 136 I CA -0.861 60.421 61.300 -0.030 0.000 1.191 136 I CB 1.504 39.486 38.000 -0.029 0.000 1.343 136 I HN 0.218 nan 8.210 nan 0.000 0.458 137 R N 6.228 126.686 120.500 -0.070 0.000 2.474 137 R HA 0.399 4.739 4.340 0.001 0.000 0.295 137 R C -0.862 175.346 176.300 -0.153 0.000 0.980 137 R CA -0.581 55.468 56.100 -0.085 0.000 0.934 137 R CB 1.181 31.441 30.300 -0.067 0.000 1.101 137 R HN 0.682 nan 8.270 nan 0.000 0.469 138 N N 2.641 121.263 118.700 -0.129 0.000 2.400 138 N HA 0.254 4.994 4.740 0.001 0.000 0.288 138 N C -1.335 174.081 175.510 -0.157 0.000 1.024 138 N CA -0.720 52.232 53.050 -0.163 0.000 0.894 138 N CB 1.668 40.114 38.487 -0.068 0.000 1.173 138 N HN 0.368 nan 8.380 nan 0.000 0.487 139 V N 4.754 124.510 119.914 -0.264 0.000 2.294 139 V HA 0.175 4.295 4.120 0.001 0.000 0.272 139 V C 0.145 176.265 176.094 0.043 0.000 1.027 139 V CA -0.731 61.496 62.300 -0.121 0.000 0.823 139 V CB 0.613 32.322 31.823 -0.190 0.000 1.030 139 V HN 0.563 nan 8.190 nan 0.000 0.457 140 L N 10.172 131.431 121.223 0.059 0.000 2.456 140 L HA 0.450 4.790 4.340 0.001 0.000 0.277 140 L C -1.784 175.188 176.870 0.170 0.000 1.124 140 L CA -0.516 54.384 54.840 0.100 0.000 0.880 140 L CB 0.416 42.484 42.059 0.015 0.000 1.192 140 L HN 0.373 nan 8.230 nan 0.000 0.463 141 P HA 0.281 nan 4.420 nan 0.000 0.293 141 P C -0.424 177.044 177.300 0.280 0.000 1.304 141 P CA -0.419 62.819 63.100 0.229 0.000 0.767 141 P CB 1.024 32.844 31.700 0.201 0.000 1.247 142 R N -2.276 118.323 120.500 0.164 0.000 2.362 142 R HA 0.249 4.590 4.340 0.001 0.000 0.227 142 R C 0.095 176.376 176.300 -0.032 0.000 0.905 142 R CA 0.200 56.392 56.100 0.153 0.000 1.067 142 R CB -0.845 29.506 30.300 0.086 0.000 1.078 142 R HN 0.633 nan 8.270 nan 0.000 0.516 143 H N -0.768 118.170 119.070 -0.221 0.000 3.086 143 H HA 0.132 4.689 4.556 0.001 0.000 0.353 143 H C 0.312 175.448 175.328 -0.320 0.000 1.134 143 H CA -0.443 55.385 56.048 -0.367 0.000 1.248 143 H CB 1.392 31.005 29.762 -0.248 0.000 1.878 143 H HN -0.085 nan 8.280 nan 0.000 0.527 144 E N 2.963 122.933 120.200 -0.383 0.000 2.147 144 E HA -0.323 4.028 4.350 0.001 0.000 0.199 144 E C 1.522 178.086 176.600 -0.060 0.000 1.005 144 E CA 1.500 57.795 56.400 -0.174 0.000 0.810 144 E CB -0.020 29.541 29.700 -0.231 0.000 0.736 144 E HN 0.761 nan 8.360 nan 0.000 0.460 145 Q N 0.828 120.697 119.800 0.114 0.000 2.167 145 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 145 Q C 2.195 177.963 176.000 -0.386 0.000 0.970 145 Q CA 1.494 57.120 55.803 -0.296 0.000 0.855 145 Q CB -0.266 28.208 28.738 -0.440 0.000 0.911 145 Q HN 0.314 nan 8.270 nan 0.000 0.438 146 G N -0.151 108.560 108.800 -0.148 0.000 2.408 146 G HA2 -0.199 3.761 3.960 0.001 0.000 0.217 146 G HA3 -0.199 3.761 3.960 0.001 0.000 0.217 146 G C 1.273 176.118 174.900 -0.091 0.000 1.150 146 G CA 0.577 45.625 45.100 -0.086 0.000 0.776 146 G HN 0.514 nan 8.290 nan 0.000 0.542 147 G N 0.839 109.608 108.800 -0.052 0.000 2.459 147 G HA2 -0.203 3.757 3.960 0.001 0.000 0.217 147 G HA3 -0.203 3.757 3.960 0.001 0.000 0.217 147 G C 1.850 176.680 174.900 -0.117 0.000 1.183 147 G CA 1.942 47.037 45.100 -0.008 0.000 0.776 147 G HN 0.391 nan 8.290 nan 0.000 0.552 148 V N 0.207 120.036 119.914 -0.142 0.000 2.237 148 V HA -0.140 3.980 4.120 0.001 0.000 0.245 148 V C 2.521 178.594 176.094 -0.034 0.000 1.046 148 V CA 1.846 64.074 62.300 -0.120 0.000 1.007 148 V CB -1.195 30.516 31.823 -0.187 0.000 0.638 148 V HN 0.389 nan 8.190 nan 0.000 0.445 149 F N 0.980 120.853 119.950 -0.128 0.000 2.161 149 F HA -0.201 4.326 4.527 0.001 0.000 0.300 149 F C 2.691 178.275 175.800 -0.360 0.000 1.089 149 F CA 0.916 58.807 58.000 -0.181 0.000 1.282 149 F CB -0.423 38.456 39.000 -0.202 0.000 1.010 149 F HN 0.187 nan 8.300 nan 0.000 0.485 150 A N 0.337 122.998 122.820 -0.265 0.000 1.877 150 A HA -0.148 4.173 4.320 0.001 0.000 0.216 150 A C 2.361 179.482 177.584 -0.772 0.000 1.186 150 A CA 1.674 53.343 52.037 -0.612 0.000 0.620 150 A CB -1.166 17.277 19.000 -0.928 0.000 0.822 150 A HN 0.329 nan 8.150 nan 0.000 0.443 151 A N -0.389 122.005 122.820 -0.709 0.000 1.940 151 A HA -0.199 4.121 4.320 0.001 0.000 0.219 151 A C 1.957 179.519 177.584 -0.036 0.000 1.176 151 A CA 1.703 53.552 52.037 -0.315 0.000 0.631 151 A CB -0.538 18.411 19.000 -0.085 0.000 0.814 151 A HN 0.638 nan 8.150 nan 0.000 0.446 152 E N -0.824 119.372 120.200 -0.007 0.000 2.077 152 E HA -0.139 4.211 4.350 0.001 0.000 0.193 152 E C 2.215 178.857 176.600 0.069 0.000 0.989 152 E CA 0.864 57.326 56.400 0.103 0.000 0.800 152 E CB -0.374 29.487 29.700 0.267 0.000 0.746 152 E HN 0.619 nan 8.360 nan 0.000 0.452 153 G N 0.551 109.313 108.800 -0.064 0.000 2.459 153 G HA2 -0.319 3.642 3.960 0.001 0.000 0.217 153 G HA3 -0.319 3.642 3.960 0.001 0.000 0.217 153 G C 1.404 176.323 174.900 0.032 0.000 1.183 153 G CA 0.967 46.014 45.100 -0.087 0.000 0.776 153 G HN 0.291 nan 8.290 nan 0.000 0.552 154 Y N 1.953 122.218 120.300 -0.058 0.000 2.069 154 Y HA -0.178 4.372 4.550 0.001 0.000 0.278 154 Y C 3.019 178.958 175.900 0.064 0.000 1.175 154 Y CA 2.188 60.323 58.100 0.058 0.000 1.134 154 Y CB -0.382 38.185 38.460 0.179 0.000 0.965 154 Y HN 0.271 nan 8.280 nan 0.000 0.498 155 A N 0.452 123.442 122.820 0.284 0.000 1.845 155 A HA -0.229 4.092 4.320 0.001 0.000 0.215 155 A C 2.220 179.849 177.584 0.075 0.000 1.195 155 A CA 2.057 54.202 52.037 0.181 0.000 0.616 155 A CB -0.799 18.299 19.000 0.162 0.000 0.832 155 A HN 0.553 nan 8.150 nan 0.000 0.443 156 R N 0.197 120.736 120.500 0.066 0.000 2.170 156 R HA -0.119 4.221 4.340 0.001 0.000 0.242 156 R C 2.224 178.534 176.300 0.017 0.000 1.145 156 R CA 1.649 57.772 56.100 0.039 0.000 0.984 156 R CB -0.319 30.007 30.300 0.043 0.000 0.869 156 R HN 0.702 nan 8.270 nan 0.000 0.455 157 S N -1.121 114.576 115.700 -0.005 0.000 2.556 157 S HA 0.040 4.511 4.470 0.001 0.000 0.216 157 S C 1.471 176.043 174.600 -0.048 0.000 0.970 157 S CA 0.364 58.552 58.200 -0.020 0.000 0.912 157 S CB 0.595 63.777 63.200 -0.030 0.000 0.790 157 S HN 0.261 nan 8.310 nan 0.000 0.504 158 S N -0.813 114.843 115.700 -0.072 0.000 2.628 158 S HA 0.525 4.995 4.470 0.001 0.000 0.246 158 S C 1.570 176.155 174.600 -0.025 0.000 1.062 158 S CA 0.542 58.686 58.200 -0.093 0.000 1.028 158 S CB -0.081 62.970 63.200 -0.248 0.000 0.985 158 S HN 1.415 nan 8.310 nan 0.000 0.551 159 G N 1.359 110.164 108.800 0.008 0.000 2.179 159 G HA2 -0.272 3.688 3.960 0.001 0.000 0.260 159 G HA3 -0.272 3.688 3.960 0.001 0.000 0.260 159 G C -0.014 174.923 174.900 0.060 0.000 0.977 159 G CA 0.598 45.719 45.100 0.036 0.000 0.641 159 G HN 0.633 nan 8.290 nan 0.000 0.533 160 K N 1.156 121.601 120.400 0.076 0.000 2.106 160 K HA 0.569 4.890 4.320 0.001 0.000 0.246 160 K C -2.240 174.482 176.600 0.203 0.000 0.987 160 K CA -1.861 54.516 56.287 0.150 0.000 0.904 160 K CB 1.561 34.175 32.500 0.191 0.000 1.071 160 K HN 0.057 nan 8.250 nan 0.000 0.453 161 P HA 0.094 nan 4.420 nan 0.000 0.284 161 P C -0.653 176.791 177.300 0.240 0.000 1.253 161 P CA -0.439 62.765 63.100 0.173 0.000 0.800 161 P CB 1.100 32.863 31.700 0.105 0.000 0.961 162 G N 2.376 111.281 108.800 0.176 0.000 2.356 162 G HA2 0.521 4.481 3.960 0.001 0.000 0.298 162 G HA3 0.521 4.481 3.960 0.001 0.000 0.298 162 G C -0.823 174.115 174.900 0.063 0.000 1.145 162 G CA -0.391 44.810 45.100 0.168 0.000 0.850 162 G HN 0.321 nan 8.290 nan 0.000 0.487 163 I N 1.724 122.332 120.570 0.062 0.000 2.382 163 I HA 0.344 4.515 4.170 0.001 0.000 0.286 163 I C 0.354 176.549 176.117 0.129 0.000 1.002 163 I CA -0.810 60.526 61.300 0.060 0.000 1.135 163 I CB 1.515 39.558 38.000 0.072 0.000 1.288 163 I HN 0.662 nan 8.210 nan 0.000 0.448 164 C N 5.676 125.030 119.300 0.089 0.000 2.561 164 C HA 0.893 5.353 4.460 0.001 0.000 0.319 164 C C -0.365 174.662 174.990 0.062 0.000 1.198 164 C CA -1.059 58.028 59.018 0.116 0.000 1.665 164 C CB 0.585 28.374 27.740 0.082 0.000 2.258 164 C HN 0.663 nan 8.230 nan 0.000 0.493 165 I N 2.252 122.865 120.570 0.073 0.000 2.545 165 I HA 0.757 4.928 4.170 0.001 0.000 0.292 165 I C 0.244 176.418 176.117 0.095 0.000 1.040 165 I CA -0.380 60.948 61.300 0.046 0.000 1.068 165 I CB 1.952 39.941 38.000 -0.018 0.000 1.251 165 I HN 1.083 nan 8.210 nan 0.000 0.424 166 A N 3.384 126.249 122.820 0.075 0.000 2.556 166 A HA 0.763 5.083 4.320 0.001 0.000 0.294 166 A C -0.435 177.194 177.584 0.075 0.000 1.091 166 A CA -0.521 51.571 52.037 0.092 0.000 0.704 166 A CB 1.949 20.967 19.000 0.029 0.000 1.300 166 A HN 0.592 nan 8.150 nan 0.000 0.406 167 T N -0.042 114.560 114.554 0.079 0.000 2.753 167 T HA 0.502 4.852 4.350 0.001 0.000 0.309 167 T C 1.134 175.830 174.700 -0.007 0.000 1.043 167 T CA 0.457 62.584 62.100 0.045 0.000 0.964 167 T CB 0.073 68.966 68.868 0.042 0.000 1.206 167 T HN 1.603 nan 8.240 nan 0.000 0.528 168 S N -0.337 115.344 115.700 -0.031 0.000 2.640 168 S HA 0.562 5.032 4.470 0.001 0.000 0.262 168 S C 1.414 175.956 174.600 -0.097 0.000 1.232 168 S CA -0.108 58.056 58.200 -0.059 0.000 0.988 168 S CB -0.345 62.816 63.200 -0.065 0.000 1.034 168 S HN 1.605 nan 8.310 nan 0.000 0.569 169 G N 1.675 110.411 108.800 -0.106 0.000 2.690 169 G HA2 -0.310 3.650 3.960 0.001 0.000 0.334 169 G HA3 -0.310 3.650 3.960 0.001 0.000 0.334 169 G C -0.877 173.955 174.900 -0.112 0.000 1.250 169 G CA 0.587 45.612 45.100 -0.125 0.000 0.994 169 G HN 0.747 nan 8.290 nan 0.000 0.549 170 P HA -0.090 nan 4.420 nan 0.000 0.218 170 P C 1.963 179.184 177.300 -0.132 0.000 1.148 170 P CA 2.791 65.817 63.100 -0.124 0.000 0.822 170 P CB -0.749 30.871 31.700 -0.133 0.000 0.784 171 G N 0.936 109.666 108.800 -0.116 0.000 2.511 171 G HA2 -0.254 3.706 3.960 0.001 0.000 0.216 171 G HA3 -0.254 3.706 3.960 0.001 0.000 0.216 171 G C 1.911 176.758 174.900 -0.089 0.000 1.218 171 G CA 1.504 46.543 45.100 -0.102 0.000 0.788 171 G HN 0.361 nan 8.290 nan 0.000 0.560 172 A N 0.671 123.451 122.820 -0.067 0.000 1.892 172 A HA -0.115 4.205 4.320 0.001 0.000 0.218 172 A C 2.648 180.192 177.584 -0.066 0.000 1.188 172 A CA 3.213 55.215 52.037 -0.057 0.000 0.631 172 A CB -1.340 17.631 19.000 -0.049 0.000 0.822 172 A HN 0.656 nan 8.150 nan 0.000 0.447 173 T N -2.227 112.284 114.554 -0.072 0.000 2.962 173 T HA -0.116 4.234 4.350 0.001 0.000 0.270 173 T C 1.320 175.978 174.700 -0.069 0.000 1.088 173 T CA 1.507 63.568 62.100 -0.066 0.000 1.127 173 T CB -0.813 68.018 68.868 -0.062 0.000 0.883 173 T HN 0.626 nan 8.240 nan 0.000 0.493 174 N N 0.567 119.217 118.700 -0.083 0.000 2.571 174 N HA 0.187 4.928 4.740 0.001 0.000 0.189 174 N C 1.231 176.683 175.510 -0.096 0.000 1.154 174 N CA 0.192 53.201 53.050 -0.068 0.000 0.907 174 N CB -0.181 38.238 38.487 -0.114 0.000 0.977 174 N HN 0.425 nan 8.380 nan 0.000 0.449 175 L N -0.644 120.519 121.223 -0.101 0.000 2.513 175 L HA 0.078 4.418 4.340 0.001 0.000 0.222 175 L C 1.950 178.754 176.870 -0.110 0.000 1.096 175 L CA 0.003 54.771 54.840 -0.120 0.000 0.857 175 L CB -0.048 41.961 42.059 -0.082 0.000 1.026 175 L HN -0.032 nan 8.230 nan 0.000 0.469 176 V N 0.163 120.028 119.914 -0.082 0.000 2.252 176 V HA -0.409 3.711 4.120 0.001 0.000 0.255 176 V C 2.613 178.677 176.094 -0.051 0.000 1.071 176 V CA 2.504 64.768 62.300 -0.060 0.000 1.050 176 V CB -0.628 31.165 31.823 -0.050 0.000 0.654 176 V HN 0.446 nan 8.190 nan 0.000 0.448 177 S N -0.017 115.644 115.700 -0.066 0.000 2.382 177 S HA -0.130 4.340 4.470 0.001 0.000 0.228 177 S C 1.986 176.616 174.600 0.049 0.000 1.027 177 S CA 1.277 59.471 58.200 -0.009 0.000 0.991 177 S CB -0.632 62.570 63.200 0.004 0.000 0.823 177 S HN 0.750 nan 8.310 nan 0.000 0.469 178 G N 1.621 110.378 108.800 -0.073 0.000 2.402 178 G HA2 -0.094 3.867 3.960 0.001 0.000 0.216 178 G HA3 -0.094 3.867 3.960 0.001 0.000 0.216 178 G C 1.320 176.265 174.900 0.075 0.000 1.162 178 G CA 0.493 45.618 45.100 0.042 0.000 0.777 178 G HN 0.431 nan 8.290 nan 0.000 0.539 179 L N 0.708 121.935 121.223 0.007 0.000 1.994 179 L HA -0.050 4.291 4.340 0.001 0.000 0.208 179 L C 3.421 180.299 176.870 0.013 0.000 1.071 179 L CA 1.125 55.968 54.840 0.004 0.000 0.745 179 L CB -0.583 41.465 42.059 -0.019 0.000 0.892 179 L HN 0.284 nan 8.230 nan 0.000 0.431 180 A N -0.003 122.823 122.820 0.011 0.000 1.940 180 A HA -0.303 4.017 4.320 0.001 0.000 0.219 180 A C 1.956 179.545 177.584 0.009 0.000 1.176 180 A CA 2.272 54.312 52.037 0.005 0.000 0.631 180 A CB -0.696 18.305 19.000 0.001 0.000 0.814 180 A HN 0.470 nan 8.150 nan 0.000 0.446 181 D N -0.430 119.994 120.400 0.040 0.000 2.117 181 D HA -0.002 4.639 4.640 0.001 0.000 0.198 181 D C 2.019 178.315 176.300 -0.007 0.000 0.982 181 D CA 1.557 55.565 54.000 0.014 0.000 0.828 181 D CB -0.197 40.661 40.800 0.097 0.000 0.967 181 D HN 0.335 nan 8.370 nan 0.000 0.464 182 A N -0.199 122.642 122.820 0.034 0.000 1.969 182 A HA -0.040 4.281 4.320 0.001 0.000 0.218 182 A C 2.068 179.652 177.584 0.001 0.000 1.169 182 A CA 1.008 53.059 52.037 0.023 0.000 0.635 182 A CB -0.650 18.374 19.000 0.040 0.000 0.810 182 A HN 0.379 nan 8.150 nan 0.000 0.445 183 L N -0.420 120.803 121.223 -0.001 0.000 2.072 183 L HA 0.023 4.363 4.340 0.001 0.000 0.205 183 L C 2.148 179.012 176.870 -0.011 0.000 1.079 183 L CA 1.544 56.381 54.840 -0.005 0.000 0.752 183 L CB -0.458 41.598 42.059 -0.005 0.000 0.906 183 L HN 0.364 nan 8.230 nan 0.000 0.436 184 L N -0.728 120.483 121.223 -0.020 0.000 2.141 184 L HA -0.120 4.220 4.340 0.001 0.000 0.209 184 L C 1.402 178.252 176.870 -0.034 0.000 1.094 184 L CA 0.906 55.729 54.840 -0.027 0.000 0.763 184 L CB -0.471 41.564 42.059 -0.039 0.000 0.908 184 L HN 0.254 nan 8.230 nan 0.000 0.437 185 D N -0.946 119.427 120.400 -0.046 0.000 2.349 185 D HA 0.040 4.680 4.640 0.001 0.000 0.214 185 D C 0.571 176.856 176.300 -0.025 0.000 1.063 185 D CA 0.193 54.162 54.000 -0.051 0.000 0.847 185 D CB 0.435 41.177 40.800 -0.098 0.000 0.933 185 D HN -0.025 nan 8.370 nan 0.000 0.513 186 S N -0.254 115.438 115.700 -0.014 0.000 3.797 186 S HA -0.156 4.314 4.470 0.001 0.000 0.374 186 S C 0.019 174.620 174.600 0.001 0.000 0.970 186 S CA 0.399 58.597 58.200 -0.003 0.000 1.177 186 S CB -1.588 61.613 63.200 0.001 0.000 0.891 186 S HN 0.325 nan 8.310 nan 0.000 0.491 187 V N 1.011 120.927 119.914 0.004 0.000 2.370 187 V HA 0.683 4.803 4.120 0.001 0.000 0.283 187 V C -2.236 173.869 176.094 0.018 0.000 1.023 187 V CA -2.216 60.095 62.300 0.018 0.000 0.857 187 V CB 1.576 33.418 31.823 0.031 0.000 0.985 187 V HN 0.170 nan 8.190 nan 0.000 0.443 188 P HA 0.226 nan 4.420 nan 0.000 0.263 188 P C -1.013 176.288 177.300 0.003 0.000 1.195 188 P CA 0.125 63.227 63.100 0.003 0.000 0.762 188 P CB 1.204 32.915 31.700 0.018 0.000 0.799 189 L N 4.749 125.947 121.223 -0.041 0.000 2.513 189 L HA 0.415 4.755 4.340 0.001 0.000 0.261 189 L C -1.281 175.509 176.870 -0.133 0.000 0.945 189 L CA -0.767 54.042 54.840 -0.051 0.000 0.848 189 L CB 2.578 44.632 42.059 -0.009 0.000 1.334 189 L HN 0.069 nan 8.230 nan 0.000 0.407 190 V N 3.909 123.707 119.914 -0.193 0.000 2.407 190 V HA 0.851 4.972 4.120 0.001 0.000 0.291 190 V C -0.111 175.910 176.094 -0.122 0.000 1.018 190 V CA -0.331 61.810 62.300 -0.265 0.000 0.842 190 V CB 1.439 32.871 31.823 -0.652 0.000 0.996 190 V HN 0.874 nan 8.190 nan 0.000 0.426 191 A N 6.781 129.559 122.820 -0.071 0.000 2.303 191 A HA 0.895 5.215 4.320 0.001 0.000 0.320 191 A C -0.696 176.879 177.584 -0.014 0.000 1.192 191 A CA -0.460 51.560 52.037 -0.029 0.000 0.821 191 A CB 0.619 19.604 19.000 -0.025 0.000 1.188 191 A HN 0.772 nan 8.150 nan 0.000 0.492 192 I N 2.491 123.061 120.570 -0.000 0.000 2.404 192 I HA 0.475 4.645 4.170 0.001 0.000 0.293 192 I C 0.160 176.280 176.117 0.006 0.000 0.992 192 I CA -0.329 60.975 61.300 0.006 0.000 1.149 192 I CB 2.393 40.401 38.000 0.012 0.000 1.315 192 I HN 0.733 nan 8.210 nan 0.000 0.446 193 T N 1.595 116.152 114.554 0.004 0.000 2.876 193 T HA 0.660 5.010 4.350 0.001 0.000 0.289 193 T C 0.045 174.748 174.700 0.005 0.000 1.014 193 T CA -0.828 61.274 62.100 0.004 0.000 0.986 193 T CB 1.762 70.625 68.868 -0.008 0.000 1.021 193 T HN 0.676 nan 8.240 nan 0.000 0.458 194 G N 1.347 110.155 108.800 0.012 0.000 2.539 194 G HA2 0.533 4.493 3.960 0.001 0.000 0.258 194 G HA3 0.533 4.493 3.960 0.001 0.000 0.258 194 G C -0.755 174.144 174.900 -0.001 0.000 1.202 194 G CA -0.289 44.818 45.100 0.013 0.000 0.851 194 G HN 0.698 nan 8.290 nan 0.000 0.556 195 Q N -1.162 118.638 119.800 0.000 0.000 2.456 195 Q HA 0.417 4.758 4.340 0.001 0.000 0.284 195 Q C 0.141 176.142 176.000 0.001 0.000 1.061 195 Q CA -0.701 55.098 55.803 -0.007 0.000 0.799 195 Q CB 2.121 30.855 28.738 -0.006 0.000 1.445 195 Q HN 0.676 nan 8.270 nan 0.000 0.411 196 V N -0.587 119.328 119.914 0.000 0.000 3.237 196 V HA 0.411 4.531 4.120 0.001 0.000 0.305 196 V C -2.260 173.844 176.094 0.016 0.000 1.096 196 V CA -1.333 60.977 62.300 0.017 0.000 1.130 196 V CB -0.376 31.460 31.823 0.022 0.000 1.048 196 V HN 0.607 nan 8.190 nan 0.000 0.484 197 P HA 0.177 nan 4.420 nan 0.000 0.268 197 P C 0.604 177.909 177.300 0.009 0.000 1.208 197 P CA 0.091 63.200 63.100 0.014 0.000 0.777 197 P CB 0.333 32.043 31.700 0.017 0.000 0.875 198 R N 2.392 122.894 120.500 0.004 0.000 2.112 198 R HA -0.255 4.085 4.340 0.001 0.000 0.242 198 R C 2.243 178.545 176.300 0.003 0.000 1.137 198 R CA 2.212 58.313 56.100 0.002 0.000 0.944 198 R CB -0.568 29.731 30.300 -0.002 0.000 0.857 198 R HN 0.575 nan 8.270 nan 0.000 0.435 199 R N 0.194 120.696 120.500 0.004 0.000 2.249 199 R HA -0.063 4.277 4.340 0.001 0.000 0.230 199 R C 1.537 177.841 176.300 0.007 0.000 1.121 199 R CA 1.327 57.429 56.100 0.004 0.000 0.997 199 R CB -0.130 30.173 30.300 0.004 0.000 0.867 199 R HN 0.177 nan 8.270 nan 0.000 0.465 200 M N 0.881 120.488 119.600 0.011 0.000 2.509 200 M HA 0.226 4.707 4.480 0.001 0.000 0.250 200 M C 0.646 176.953 176.300 0.013 0.000 1.132 200 M CA -0.027 55.283 55.300 0.016 0.000 1.080 200 M CB -0.009 32.607 32.600 0.027 0.000 1.408 200 M HN 0.063 nan 8.290 nan 0.000 0.484 201 I N 1.019 121.593 120.570 0.007 0.000 2.683 201 I HA 0.048 4.218 4.170 0.001 0.000 0.286 201 I C 1.497 177.615 176.117 0.001 0.000 1.175 201 I CA 0.779 62.080 61.300 0.002 0.000 1.429 201 I CB 0.161 38.161 38.000 -0.001 0.000 1.371 201 I HN 0.622 nan 8.210 nan 0.000 0.569 202 G N 3.839 112.638 108.800 -0.001 0.000 2.179 202 G HA2 -0.319 3.641 3.960 0.001 0.000 0.260 202 G HA3 -0.319 3.641 3.960 0.001 0.000 0.260 202 G C 0.763 175.664 174.900 0.002 0.000 0.977 202 G CA 0.625 45.724 45.100 -0.002 0.000 0.641 202 G HN 0.778 nan 8.290 nan 0.000 0.533 203 T N -1.912 112.646 114.554 0.006 0.000 3.105 203 T HA 0.390 4.740 4.350 0.001 0.000 0.253 203 T C 0.648 175.357 174.700 0.015 0.000 1.047 203 T CA 0.879 62.985 62.100 0.010 0.000 0.944 203 T CB 0.073 68.949 68.868 0.013 0.000 1.016 203 T HN 0.548 nan 8.240 nan 0.000 0.544 204 D N 0.970 121.377 120.400 0.012 0.000 2.739 204 D HA -0.116 4.525 4.640 0.001 0.000 0.240 204 D C 0.426 176.747 176.300 0.035 0.000 1.114 204 D CA 0.799 54.809 54.000 0.016 0.000 0.695 204 D CB -1.556 39.253 40.800 0.015 0.000 1.078 204 D HN 0.807 nan 8.370 nan 0.000 0.434 205 A N -0.076 122.768 122.820 0.039 0.000 2.310 205 A HA 0.438 4.759 4.320 0.001 0.000 0.260 205 A C 0.332 177.984 177.584 0.112 0.000 1.112 205 A CA -0.393 51.690 52.037 0.077 0.000 0.804 205 A CB 0.269 19.309 19.000 0.067 0.000 1.081 205 A HN 0.196 nan 8.150 nan 0.000 0.499 206 F N 0.888 120.834 119.950 -0.006 0.000 2.602 206 F HA 0.150 4.678 4.527 0.001 0.000 0.385 206 F C 1.146 176.942 175.800 -0.006 0.000 1.063 206 F CA 0.953 58.949 58.000 -0.006 0.000 1.233 206 F CB -0.362 38.635 39.000 -0.005 0.000 1.067 206 F HN 0.750 nan 8.300 nan 0.000 0.564 207 Q N 2.506 121.953 119.800 -0.588 0.000 2.451 207 Q HA -0.297 4.043 4.340 0.001 0.000 0.305 207 Q C -0.359 175.501 176.000 -0.233 0.000 1.345 207 Q CA 1.103 56.596 55.803 -0.517 0.000 0.854 207 Q CB -1.388 26.898 28.738 -0.753 0.000 1.162 207 Q HN 0.821 nan 8.270 nan 0.000 0.440 208 E N 1.027 121.148 120.200 -0.132 0.000 2.171 208 E HA 0.493 4.843 4.350 0.001 0.000 0.271 208 E C -0.485 176.078 176.600 -0.062 0.000 0.916 208 E CA -0.038 56.318 56.400 -0.073 0.000 0.774 208 E CB 1.345 31.027 29.700 -0.031 0.000 1.128 208 E HN 0.250 nan 8.360 nan 0.000 0.403 209 T N 1.151 115.672 114.554 -0.055 0.000 2.933 209 T HA 0.426 4.776 4.350 0.001 0.000 0.305 209 T C -2.622 172.056 174.700 -0.038 0.000 1.092 209 T CA -1.767 60.305 62.100 -0.047 0.000 1.008 209 T CB 1.774 70.609 68.868 -0.055 0.000 1.102 209 T HN 0.275 nan 8.240 nan 0.000 0.469 210 P HA 0.239 nan 4.420 nan 0.000 0.226 210 P C 0.920 178.199 177.300 -0.034 0.000 1.783 210 P CA -0.451 62.631 63.100 -0.030 0.000 0.980 210 P CB -0.181 31.503 31.700 -0.026 0.000 1.967 211 I N 2.316 122.864 120.570 -0.037 0.000 2.194 211 I HA -0.274 3.896 4.170 0.001 0.000 0.246 211 I C 2.093 178.185 176.117 -0.042 0.000 1.093 211 I CA 1.566 62.842 61.300 -0.039 0.000 1.355 211 I CB -0.363 37.614 38.000 -0.039 0.000 1.046 211 I HN -0.056 nan 8.210 nan 0.000 0.413 212 V N 0.370 120.258 119.914 -0.043 0.000 2.407 212 V HA -0.243 3.878 4.120 0.001 0.000 0.248 212 V C 2.576 178.635 176.094 -0.057 0.000 1.055 212 V CA 1.890 64.156 62.300 -0.057 0.000 1.049 212 V CB -0.766 31.023 31.823 -0.057 0.000 0.662 212 V HN 0.435 nan 8.190 nan 0.000 0.455 213 E N 0.034 120.207 120.200 -0.044 0.000 2.046 213 E HA -0.125 4.225 4.350 0.001 0.000 0.190 213 E C 2.290 178.868 176.600 -0.037 0.000 0.982 213 E CA 1.124 57.501 56.400 -0.039 0.000 0.800 213 E CB -0.194 29.488 29.700 -0.031 0.000 0.756 213 E HN 0.452 nan 8.360 nan 0.000 0.449 214 V N 1.113 121.005 119.914 -0.037 0.000 2.343 214 V HA -0.220 3.900 4.120 0.001 0.000 0.247 214 V C 2.450 178.522 176.094 -0.037 0.000 1.051 214 V CA 2.252 64.531 62.300 -0.035 0.000 1.036 214 V CB -0.834 30.967 31.823 -0.036 0.000 0.654 214 V HN 0.412 nan 8.190 nan 0.000 0.451 215 T N -2.226 112.302 114.554 -0.043 0.000 3.107 215 T HA -0.000 4.350 4.350 0.001 0.000 0.249 215 T C 1.700 176.371 174.700 -0.048 0.000 1.096 215 T CA 0.379 62.452 62.100 -0.044 0.000 1.012 215 T CB -0.207 68.633 68.868 -0.047 0.000 0.977 215 T HN 0.355 nan 8.240 nan 0.000 0.527 216 R N 2.173 122.642 120.500 -0.051 0.000 2.105 216 R HA -0.096 4.244 4.340 0.001 0.000 0.239 216 R C 2.329 178.609 176.300 -0.033 0.000 1.135 216 R CA 1.935 58.003 56.100 -0.053 0.000 0.967 216 R CB -0.380 29.890 30.300 -0.050 0.000 0.861 216 R HN 0.563 nan 8.270 nan 0.000 0.442 217 S N -0.383 115.301 115.700 -0.027 0.000 2.575 217 S HA 0.039 4.509 4.470 0.001 0.000 0.215 217 S C 1.433 176.023 174.600 -0.017 0.000 0.966 217 S CA 0.142 58.331 58.200 -0.018 0.000 0.911 217 S CB -0.090 63.100 63.200 -0.017 0.000 0.780 217 S HN 0.546 nan 8.310 nan 0.000 0.514 218 I N 0.182 120.739 120.570 -0.021 0.000 3.936 218 I HA 0.382 4.553 4.170 0.001 0.000 0.330 218 I C -0.072 176.035 176.117 -0.017 0.000 1.509 218 I CA -0.543 60.747 61.300 -0.018 0.000 1.126 218 I CB 0.217 38.206 38.000 -0.019 0.000 1.115 218 I HN 0.184 nan 8.210 nan 0.000 0.424 219 T N -3.032 111.511 114.554 -0.020 0.000 2.906 219 T HA 0.344 4.695 4.350 0.001 0.000 0.295 219 T C 0.434 175.132 174.700 -0.004 0.000 1.075 219 T CA -0.762 61.327 62.100 -0.018 0.000 1.005 219 T CB 2.888 71.735 68.868 -0.035 0.000 1.136 219 T HN 0.138 nan 8.240 nan 0.000 0.498 220 K N -0.173 120.230 120.400 0.006 0.000 2.148 220 K HA -0.029 4.291 4.320 0.001 0.000 0.204 220 K C 0.217 176.860 176.600 0.071 0.000 1.050 220 K CA 1.168 57.468 56.287 0.022 0.000 0.942 220 K CB 0.024 32.529 32.500 0.007 0.000 0.724 220 K HN 0.770 nan 8.250 nan 0.000 0.446 221 H N -1.275 117.737 119.070 -0.096 0.000 2.969 221 H HA 0.261 4.817 4.556 0.001 0.000 0.304 221 H C -1.928 173.301 175.328 -0.165 0.000 1.400 221 H CA -1.047 54.903 56.048 -0.164 0.000 1.182 221 H CB 0.994 30.631 29.762 -0.210 0.000 1.865 221 H HN 0.264 nan 8.280 nan 0.000 0.512 222 N N 0.625 118.818 118.700 -0.846 0.000 2.708 222 N HA 0.427 5.167 4.740 0.001 0.000 0.257 222 N C -1.979 173.080 175.510 -0.751 0.000 1.373 222 N CA -0.698 52.041 53.050 -0.517 0.000 0.843 222 N CB 1.486 39.828 38.487 -0.242 0.000 1.503 222 N HN 0.407 nan 8.380 nan 0.000 0.504 223 Y N -1.048 119.111 120.300 -0.234 0.000 2.615 223 Y HA 0.670 5.221 4.550 0.001 0.000 0.341 223 Y C -1.142 174.702 175.900 -0.093 0.000 1.089 223 Y CA -1.138 56.868 58.100 -0.157 0.000 1.049 223 Y CB 1.872 40.275 38.460 -0.095 0.000 1.296 223 Y HN 0.589 nan 8.280 nan 0.000 0.470 224 L N 2.121 123.413 121.223 0.115 0.000 2.427 224 L HA 0.629 4.970 4.340 0.001 0.000 0.264 224 L C -1.470 175.432 176.870 0.054 0.000 0.989 224 L CA -0.744 54.126 54.840 0.051 0.000 0.865 224 L CB 0.972 43.041 42.059 0.016 0.000 1.209 224 L HN 0.424 nan 8.230 nan 0.000 0.430 225 V N 6.631 126.564 119.914 0.032 0.000 2.485 225 V HA 0.092 4.212 4.120 0.001 0.000 0.287 225 V C 1.239 177.334 176.094 0.000 0.000 1.022 225 V CA 0.191 62.494 62.300 0.006 0.000 1.067 225 V CB 0.907 32.717 31.823 -0.021 0.000 0.967 225 V HN 0.807 nan 8.190 nan 0.000 0.479 226 M N 2.699 122.298 119.600 -0.001 0.000 2.333 226 M HA 0.344 4.825 4.480 0.001 0.000 0.257 226 M C 0.022 176.312 176.300 -0.016 0.000 1.078 226 M CA 0.284 55.581 55.300 -0.005 0.000 1.005 226 M CB -0.211 32.390 32.600 0.001 0.000 1.444 226 M HN 0.810 nan 8.290 nan 0.000 0.496 227 D N -1.076 119.308 120.400 -0.027 0.000 2.886 227 D HA 0.133 4.774 4.640 0.001 0.000 0.216 227 D C 0.398 176.664 176.300 -0.057 0.000 1.256 227 D CA -0.204 53.773 54.000 -0.039 0.000 0.844 227 D CB 2.141 42.917 40.800 -0.040 0.000 1.669 227 D HN -0.199 nan 8.370 nan 0.000 0.513 228 V N 3.577 123.452 119.914 -0.064 0.000 2.568 228 V HA -0.141 3.979 4.120 0.001 0.000 0.253 228 V C 1.546 177.570 176.094 -0.117 0.000 1.072 228 V CA 1.875 64.124 62.300 -0.085 0.000 1.084 228 V CB -0.253 31.520 31.823 -0.084 0.000 0.676 228 V HN 0.575 nan 8.190 nan 0.000 0.469 229 E N -0.077 120.057 120.200 -0.110 0.000 2.265 229 E HA -0.184 4.167 4.350 0.001 0.000 0.196 229 E C 1.728 178.243 176.600 -0.141 0.000 0.996 229 E CA 1.393 57.713 56.400 -0.133 0.000 0.832 229 E CB -0.268 29.369 29.700 -0.104 0.000 0.756 229 E HN 0.715 nan 8.360 nan 0.000 0.491 230 D N 0.136 120.469 120.400 -0.112 0.000 2.348 230 D HA 0.038 4.679 4.640 0.001 0.000 0.211 230 D C 1.987 178.210 176.300 -0.128 0.000 0.998 230 D CA 0.002 53.938 54.000 -0.107 0.000 0.873 230 D CB 0.042 40.798 40.800 -0.073 0.000 0.925 230 D HN 0.216 nan 8.370 nan 0.000 0.524 231 I N 1.663 122.153 120.570 -0.133 0.000 2.087 231 I HA -0.261 3.909 4.170 0.001 0.000 0.240 231 I C -0.547 175.502 176.117 -0.114 0.000 1.054 231 I CA 1.508 62.737 61.300 -0.117 0.000 1.311 231 I CB -1.617 36.319 38.000 -0.106 0.000 1.024 231 I HN 0.005 nan 8.210 nan 0.000 0.402 232 P HA -0.207 nan 4.420 nan 0.000 0.214 232 P C 1.657 178.924 177.300 -0.055 0.000 1.163 232 P CA 1.612 64.630 63.100 -0.138 0.000 0.889 232 P CB -0.154 31.292 31.700 -0.424 0.000 0.790 233 R N -0.286 120.154 120.500 -0.101 0.000 2.081 233 R HA -0.086 4.255 4.340 0.001 0.000 0.235 233 R C 2.249 178.488 176.300 -0.102 0.000 1.131 233 R CA 1.417 57.470 56.100 -0.078 0.000 0.960 233 R CB -0.759 29.492 30.300 -0.081 0.000 0.856 233 R HN 0.150 nan 8.270 nan 0.000 0.436 234 I N 0.727 121.192 120.570 -0.176 0.000 2.315 234 I HA -0.268 3.902 4.170 0.001 0.000 0.248 234 I C 2.045 178.011 176.117 -0.251 0.000 1.117 234 I CA 0.676 61.753 61.300 -0.371 0.000 1.404 234 I CB -0.174 37.547 38.000 -0.465 0.000 1.071 234 I HN 0.202 nan 8.210 nan 0.000 0.419 235 I N 0.860 121.387 120.570 -0.072 0.000 2.179 235 I HA -0.282 3.889 4.170 0.001 0.000 0.242 235 I C 2.561 178.799 176.117 0.202 0.000 1.088 235 I CA 1.603 62.964 61.300 0.101 0.000 1.357 235 I CB -1.232 36.837 38.000 0.115 0.000 1.051 235 I HN 0.371 nan 8.210 nan 0.000 0.409 236 E N 1.182 121.440 120.200 0.097 0.000 2.058 236 E HA -0.247 4.103 4.350 0.001 0.000 0.194 236 E C 2.049 178.761 176.600 0.186 0.000 0.997 236 E CA 1.552 58.021 56.400 0.116 0.000 0.801 236 E CB -0.004 29.725 29.700 0.049 0.000 0.746 236 E HN 0.478 nan 8.360 nan 0.000 0.450 237 E N 0.034 120.297 120.200 0.106 0.000 2.077 237 E HA -0.218 4.132 4.350 0.001 0.000 0.193 237 E C 2.063 178.815 176.600 0.254 0.000 0.989 237 E CA 0.912 57.411 56.400 0.165 0.000 0.800 237 E CB -0.176 29.587 29.700 0.104 0.000 0.746 237 E HN 0.410 nan 8.360 nan 0.000 0.452 238 A N 0.832 123.756 122.820 0.174 0.000 1.865 238 A HA -0.201 4.119 4.320 0.001 0.000 0.217 238 A C 1.936 179.589 177.584 0.114 0.000 1.191 238 A CA 1.388 53.530 52.037 0.174 0.000 0.623 238 A CB -0.909 18.132 19.000 0.068 0.000 0.826 238 A HN 0.192 nan 8.150 nan 0.000 0.444 239 F N -1.451 118.559 119.950 0.099 0.000 2.134 239 F HA -0.112 4.415 4.527 0.001 0.000 0.299 239 F C 2.035 177.903 175.800 0.113 0.000 1.097 239 F CA 1.621 59.678 58.000 0.095 0.000 1.264 239 F CB -0.700 38.353 39.000 0.089 0.000 1.001 239 F HN 0.347 nan 8.300 nan 0.000 0.479 240 F N 0.669 120.740 119.950 0.203 0.000 2.046 240 F HA -0.228 4.299 4.527 0.001 0.000 0.297 240 F C 2.092 177.924 175.800 0.053 0.000 1.123 240 F CA 1.679 59.753 58.000 0.124 0.000 1.199 240 F CB -0.753 38.305 39.000 0.096 0.000 0.972 240 F HN -0.150 nan 8.300 nan 0.000 0.474 241 L N -0.119 121.100 121.223 -0.007 0.000 2.079 241 L HA -0.221 4.119 4.340 0.001 0.000 0.210 241 L C 2.724 179.489 176.870 -0.175 0.000 1.081 241 L CA 1.224 55.920 54.840 -0.241 0.000 0.752 241 L CB -1.130 40.843 42.059 -0.143 0.000 0.896 241 L HN 0.291 nan 8.230 nan 0.000 0.433 242 A N -1.025 121.740 122.820 -0.091 0.000 1.968 242 A HA -0.133 4.187 4.320 0.001 0.000 0.217 242 A C 2.308 179.849 177.584 -0.072 0.000 1.169 242 A CA 2.051 54.036 52.037 -0.087 0.000 0.638 242 A CB -0.533 18.386 19.000 -0.136 0.000 0.812 242 A HN 0.371 nan 8.150 nan 0.000 0.446 243 T N -0.050 114.457 114.554 -0.078 0.000 3.010 243 T HA 0.064 4.414 4.350 0.001 0.000 0.252 243 T C 1.332 175.967 174.700 -0.107 0.000 1.047 243 T CA 0.772 62.840 62.100 -0.052 0.000 1.140 243 T CB -0.234 68.646 68.868 0.020 0.000 0.885 243 T HN 0.653 nan 8.240 nan 0.000 0.464 244 S N 0.216 115.766 115.700 -0.250 0.000 2.655 244 S HA 0.574 5.044 4.470 0.001 0.000 0.265 244 S C 1.377 175.936 174.600 -0.067 0.000 1.240 244 S CA -0.132 57.924 58.200 -0.240 0.000 0.986 244 S CB 0.544 63.391 63.200 -0.589 0.000 0.985 244 S HN 0.618 nan 8.310 nan 0.000 0.562 245 G N 1.432 110.206 108.800 -0.043 0.000 2.672 245 G HA2 -0.364 3.596 3.960 0.001 0.000 0.324 245 G HA3 -0.364 3.596 3.960 0.001 0.000 0.324 245 G C 0.018 174.913 174.900 -0.009 0.000 1.286 245 G CA 0.706 45.794 45.100 -0.020 0.000 1.004 245 G HN 1.081 nan 8.290 nan 0.000 0.548 246 R N 2.022 122.531 120.500 0.016 0.000 2.205 246 R HA 0.473 4.813 4.340 0.001 0.000 0.342 246 R C -2.304 174.003 176.300 0.011 0.000 1.058 246 R CA -1.508 54.597 56.100 0.009 0.000 0.904 246 R CB 0.739 31.046 30.300 0.013 0.000 1.089 246 R HN 0.265 nan 8.270 nan 0.000 0.471 247 P HA 0.151 nan 4.420 nan 0.000 0.268 247 P C -0.491 176.806 177.300 -0.006 0.000 1.208 247 P CA 0.002 63.097 63.100 -0.009 0.000 0.777 247 P CB 1.037 32.735 31.700 -0.003 0.000 0.875 248 G N 0.907 109.698 108.800 -0.014 0.000 2.488 248 G HA2 0.482 4.443 3.960 0.001 0.000 0.301 248 G HA3 0.482 4.443 3.960 0.001 0.000 0.301 248 G C -3.328 171.559 174.900 -0.021 0.000 1.339 248 G CA -0.869 44.225 45.100 -0.011 0.000 0.803 248 G HN 0.298 nan 8.290 nan 0.000 0.482 249 P HA 0.575 nan 4.420 nan 0.000 0.288 249 P C -0.921 176.365 177.300 -0.024 0.000 1.267 249 P CA -0.502 62.582 63.100 -0.026 0.000 0.815 249 P CB 2.239 33.931 31.700 -0.014 0.000 0.989 250 V N 4.351 124.244 119.914 -0.035 0.000 2.525 250 V HA 0.333 4.454 4.120 0.001 0.000 0.299 250 V C 0.080 176.170 176.094 -0.006 0.000 1.034 250 V CA -0.732 61.568 62.300 -0.001 0.000 0.863 250 V CB 1.889 33.736 31.823 0.039 0.000 0.999 250 V HN 0.492 nan 8.190 nan 0.000 0.423 251 L N 5.737 126.960 121.223 -0.001 0.000 2.307 251 L HA 0.788 5.128 4.340 0.001 0.000 0.284 251 L C -0.970 175.934 176.870 0.055 0.000 1.023 251 L CA -0.369 54.472 54.840 0.002 0.000 0.810 251 L CB 1.710 43.754 42.059 -0.025 0.000 1.231 251 L HN 0.474 nan 8.230 nan 0.000 0.423 252 V N 3.880 123.822 119.914 0.048 0.000 2.350 252 V HA 0.283 4.403 4.120 0.001 0.000 0.285 252 V C -0.776 175.336 176.094 0.030 0.000 1.014 252 V CA -0.564 61.775 62.300 0.065 0.000 0.831 252 V CB 1.474 33.313 31.823 0.027 0.000 1.000 252 V HN 0.680 nan 8.190 nan 0.000 0.433 253 D N 3.882 124.302 120.400 0.033 0.000 2.313 253 D HA 0.443 5.083 4.640 0.001 0.000 0.239 253 D C -0.574 175.732 176.300 0.010 0.000 1.142 253 D CA 0.091 54.098 54.000 0.013 0.000 0.847 253 D CB 1.576 42.379 40.800 0.005 0.000 1.082 253 D HN 0.288 nan 8.370 nan 0.000 0.480 254 V N 6.317 126.233 119.914 0.003 0.000 2.304 254 V HA 0.344 4.465 4.120 0.001 0.000 0.278 254 V C -2.133 173.961 176.094 -0.000 0.000 1.018 254 V CA -1.812 60.487 62.300 -0.001 0.000 0.814 254 V CB 1.311 33.132 31.823 -0.003 0.000 1.021 254 V HN 0.518 nan 8.190 nan 0.000 0.440 255 P HA 0.067 nan 4.420 nan 0.000 0.266 255 P C 0.875 178.176 177.300 0.003 0.000 1.195 255 P CA 0.019 63.119 63.100 0.001 0.000 0.768 255 P CB 0.838 32.538 31.700 -0.001 0.000 0.838 256 K N 3.559 123.965 120.400 0.010 0.000 2.103 256 K HA -0.231 4.090 4.320 0.001 0.000 0.207 256 K C 1.288 177.893 176.600 0.008 0.000 1.048 256 K CA 2.012 58.307 56.287 0.014 0.000 0.930 256 K CB -0.294 32.221 32.500 0.025 0.000 0.716 256 K HN 0.516 nan 8.250 nan 0.000 0.444 257 D N 0.484 120.887 120.400 0.005 0.000 2.178 257 D HA -0.188 4.452 4.640 0.001 0.000 0.201 257 D C 1.835 178.130 176.300 -0.009 0.000 0.980 257 D CA 0.895 54.895 54.000 -0.000 0.000 0.842 257 D CB -0.260 40.540 40.800 -0.001 0.000 0.948 257 D HN 0.243 nan 8.370 nan 0.000 0.472 258 I N 0.975 121.538 120.570 -0.012 0.000 2.439 258 I HA -0.176 3.994 4.170 0.001 0.000 0.251 258 I C 2.582 178.684 176.117 -0.025 0.000 1.139 258 I CA 0.946 62.233 61.300 -0.022 0.000 1.438 258 I CB -0.433 37.553 38.000 -0.024 0.000 1.085 258 I HN -0.044 nan 8.210 nan 0.000 0.427 259 Q N -0.337 119.454 119.800 -0.014 0.000 2.224 259 Q HA -0.194 4.146 4.340 0.001 0.000 0.203 259 Q C 1.895 177.888 176.000 -0.013 0.000 0.970 259 Q CA 1.131 56.927 55.803 -0.012 0.000 0.865 259 Q CB -0.079 28.660 28.738 0.001 0.000 0.922 259 Q HN 0.613 nan 8.270 nan 0.000 0.445 260 Q N -0.143 119.651 119.800 -0.010 0.000 2.402 260 Q HA 0.041 4.381 4.340 0.001 0.000 0.206 260 Q C 0.241 176.230 176.000 -0.019 0.000 0.919 260 Q CA -0.099 55.699 55.803 -0.009 0.000 0.923 260 Q CB 0.394 29.131 28.738 -0.001 0.000 1.048 260 Q HN 0.303 nan 8.270 nan 0.000 0.515 261 Q N 1.366 121.150 119.800 -0.027 0.000 2.311 261 Q HA 0.152 4.493 4.340 0.001 0.000 0.272 261 Q C -0.921 175.050 176.000 -0.049 0.000 1.012 261 Q CA -0.028 55.754 55.803 -0.035 0.000 0.891 261 Q CB 0.554 29.269 28.738 -0.039 0.000 1.201 261 Q HN 0.229 nan 8.270 nan 0.000 0.391 262 L N 3.099 124.294 121.223 -0.047 0.000 2.326 262 L HA 0.662 5.003 4.340 0.001 0.000 0.278 262 L C -0.161 176.665 176.870 -0.072 0.000 1.092 262 L CA -0.306 54.498 54.840 -0.059 0.000 0.810 262 L CB 1.162 43.196 42.059 -0.041 0.000 1.153 262 L HN 0.787 nan 8.230 nan 0.000 0.439 263 A N 4.003 126.764 122.820 -0.098 0.000 2.586 263 A HA 0.708 5.029 4.320 0.001 0.000 0.290 263 A C -1.309 176.195 177.584 -0.133 0.000 1.086 263 A CA -0.556 51.416 52.037 -0.109 0.000 0.665 263 A CB 1.156 20.083 19.000 -0.122 0.000 1.279 263 A HN 0.551 nan 8.150 nan 0.000 0.423 264 I N 2.564 123.055 120.570 -0.132 0.000 2.359 264 I HA 0.339 4.509 4.170 0.001 0.000 0.284 264 I C -2.008 173.976 176.117 -0.222 0.000 1.018 264 I CA -1.807 59.412 61.300 -0.135 0.000 1.173 264 I CB 1.805 39.756 38.000 -0.081 0.000 1.326 264 I HN 0.483 nan 8.210 nan 0.000 0.462 265 P HA 0.019 nan 4.420 nan 0.000 0.269 265 P C -1.009 175.865 177.300 -0.709 0.000 1.209 265 P CA -0.193 62.508 63.100 -0.665 0.000 0.776 265 P CB 0.902 31.975 31.700 -1.045 0.000 0.876 266 N N 1.735 120.009 118.700 -0.711 0.000 2.626 266 N HA 0.162 4.903 4.740 0.001 0.000 0.242 266 N C -0.116 175.114 175.510 -0.467 0.000 1.005 266 N CA -0.684 52.097 53.050 -0.448 0.000 0.905 266 N CB 0.404 38.743 38.487 -0.246 0.000 1.128 266 N HN 0.382 nan 8.380 nan 0.000 0.512 267 W N 1.659 122.918 121.300 -0.068 0.000 3.077 267 W HA 0.142 4.802 4.660 0.001 0.000 0.245 267 W C 1.173 177.648 176.519 -0.074 0.000 1.316 267 W CA -0.415 56.877 57.345 -0.089 0.000 1.537 267 W CB 0.471 29.862 29.460 -0.114 0.000 1.131 267 W HN 0.468 nan 8.180 nan 0.000 0.695 268 E N 0.232 120.473 120.200 0.069 0.000 2.472 268 E HA 0.013 4.364 4.350 0.001 0.000 0.196 268 E C 0.376 176.974 176.600 -0.003 0.000 1.033 268 E CA 0.268 56.691 56.400 0.038 0.000 0.886 268 E CB -0.330 29.385 29.700 0.024 0.000 0.944 268 E HN 0.432 nan 8.360 nan 0.000 0.492 269 Q N 0.925 120.705 119.800 -0.034 0.000 2.283 269 Q HA 0.171 4.511 4.340 0.001 0.000 0.301 269 Q C -0.044 175.935 176.000 -0.035 0.000 1.063 269 Q CA 0.043 55.817 55.803 -0.048 0.000 0.952 269 Q CB 0.573 29.264 28.738 -0.079 0.000 1.166 269 Q HN 0.085 nan 8.270 nan 0.000 0.381 270 A N 3.638 126.437 122.820 -0.036 0.000 2.322 270 A HA 0.446 4.766 4.320 0.001 0.000 0.269 270 A C -0.099 177.458 177.584 -0.046 0.000 1.094 270 A CA -0.508 51.504 52.037 -0.041 0.000 0.807 270 A CB 0.514 19.492 19.000 -0.036 0.000 1.047 270 A HN 0.759 nan 8.150 nan 0.000 0.487 271 M N 0.953 120.514 119.600 -0.066 0.000 2.250 271 M HA 0.274 4.754 4.480 0.001 0.000 0.344 271 M C 0.297 176.577 176.300 -0.033 0.000 1.150 271 M CA 0.342 55.605 55.300 -0.060 0.000 1.147 271 M CB 0.846 33.372 32.600 -0.124 0.000 1.498 271 M HN 0.612 nan 8.290 nan 0.000 0.461 272 R N 3.261 123.764 120.500 0.006 0.000 3.559 272 R HA 0.366 4.707 4.340 0.001 0.000 0.273 272 R C -0.783 175.544 176.300 0.045 0.000 1.423 272 R CA -0.058 56.057 56.100 0.026 0.000 1.581 272 R CB -0.191 30.136 30.300 0.044 0.000 1.338 272 R HN 0.632 nan 8.270 nan 0.000 0.667 273 L N 1.624 122.868 121.223 0.035 0.000 3.059 273 L HA 0.258 4.598 4.340 0.001 0.000 0.298 273 L C -1.496 175.433 176.870 0.098 0.000 1.304 273 L CA -1.208 53.680 54.840 0.080 0.000 0.855 273 L CB 0.952 43.081 42.059 0.117 0.000 1.266 273 L HN 0.143 nan 8.230 nan 0.000 0.572 274 P HA -0.183 nan 4.420 nan 0.000 0.215 274 P C 1.623 178.958 177.300 0.059 0.000 1.157 274 P CA 1.810 64.938 63.100 0.046 0.000 0.868 274 P CB 0.339 32.055 31.700 0.026 0.000 0.788 275 G N -0.766 108.072 108.800 0.064 0.000 2.480 275 G HA2 -0.318 3.642 3.960 0.001 0.000 0.216 275 G HA3 -0.318 3.642 3.960 0.001 0.000 0.216 275 G C 1.688 176.636 174.900 0.080 0.000 1.200 275 G CA 0.890 46.024 45.100 0.057 0.000 0.782 275 G HN 0.216 nan 8.290 nan 0.000 0.554 276 Y N 0.968 121.275 120.300 0.011 0.000 2.097 276 Y HA -0.126 4.424 4.550 0.001 0.000 0.282 276 Y C 2.974 178.918 175.900 0.074 0.000 1.152 276 Y CA 2.166 60.287 58.100 0.036 0.000 1.136 276 Y CB -0.180 38.316 38.460 0.059 0.000 0.975 276 Y HN 0.156 nan 8.280 nan 0.000 0.498 277 M N -0.527 119.195 119.600 0.203 0.000 2.279 277 M HA -0.172 4.308 4.480 0.001 0.000 0.264 277 M C 2.237 178.541 176.300 0.007 0.000 1.062 277 M CA 1.787 57.162 55.300 0.125 0.000 1.099 277 M CB -0.351 32.334 32.600 0.142 0.000 1.394 277 M HN 0.459 nan 8.290 nan 0.000 0.426 278 S N 0.072 115.769 115.700 -0.005 0.000 2.489 278 S HA -0.012 4.458 4.470 0.001 0.000 0.228 278 S C 2.048 176.612 174.600 -0.060 0.000 0.995 278 S CA 0.893 59.080 58.200 -0.023 0.000 0.934 278 S CB -0.490 62.705 63.200 -0.010 0.000 0.771 278 S HN 0.549 nan 8.310 nan 0.000 0.522 279 R N 0.864 121.298 120.500 -0.109 0.000 2.300 279 R HA 0.524 4.865 4.340 0.001 0.000 0.199 279 R C 0.988 177.168 176.300 -0.199 0.000 0.920 279 R CA 0.486 56.499 56.100 -0.145 0.000 1.046 279 R CB -0.945 29.263 30.300 -0.153 0.000 0.984 279 R HN 0.634 nan 8.270 nan 0.000 0.493 280 M N 2.415 121.878 119.600 -0.229 0.000 2.284 280 M HA 0.142 4.623 4.480 0.001 0.000 0.351 280 M C -2.061 174.163 176.300 -0.126 0.000 1.443 280 M CA -1.393 53.779 55.300 -0.214 0.000 1.031 280 M CB 0.515 33.033 32.600 -0.137 0.000 1.893 280 M HN 0.006 nan 8.290 nan 0.000 0.456 281 P HA 0.111 nan 4.420 nan 0.000 0.265 281 P C -0.210 177.047 177.300 -0.072 0.000 1.187 281 P CA 0.298 63.338 63.100 -0.099 0.000 0.766 281 P CB 0.343 31.978 31.700 -0.109 0.000 0.820 282 K N 4.035 124.397 120.400 -0.063 0.000 2.090 282 K HA 0.458 4.778 4.320 0.001 0.000 0.249 282 K C -2.204 174.368 176.600 -0.047 0.000 0.995 282 K CA -1.710 54.552 56.287 -0.042 0.000 0.914 282 K CB -1.230 31.251 32.500 -0.032 0.000 1.057 282 K HN 0.496 nan 8.250 nan 0.000 0.462 283 P HA 0.112 nan 4.420 nan 0.000 0.267 283 P C -2.347 174.930 177.300 -0.038 0.000 1.200 283 P CA -0.684 62.395 63.100 -0.034 0.000 0.772 283 P CB -0.355 31.335 31.700 -0.016 0.000 0.855 284 P HA 0.043 nan 4.420 nan 0.000 0.267 284 P C -0.252 177.051 177.300 0.006 0.000 1.200 284 P CA 0.330 63.401 63.100 -0.048 0.000 0.772 284 P CB 0.769 32.429 31.700 -0.066 0.000 0.855 285 E N 1.342 121.575 120.200 0.055 0.000 2.301 285 E HA 0.064 4.414 4.350 0.001 0.000 0.275 285 E C 0.671 177.329 176.600 0.097 0.000 1.030 285 E CA -0.649 55.809 56.400 0.096 0.000 0.852 285 E CB 0.639 30.444 29.700 0.174 0.000 1.060 285 E HN 0.411 nan 8.360 nan 0.000 0.401 286 D N 1.598 122.034 120.400 0.061 0.000 2.149 286 D HA -0.174 4.466 4.640 0.001 0.000 0.198 286 D C 2.000 178.329 176.300 0.048 0.000 0.990 286 D CA 1.716 55.746 54.000 0.051 0.000 0.839 286 D CB -0.011 40.809 40.800 0.034 0.000 0.948 286 D HN 0.440 nan 8.370 nan 0.000 0.460 287 S N 0.749 116.467 115.700 0.029 0.000 2.353 287 S HA -0.239 4.232 4.470 0.001 0.000 0.222 287 S C 1.922 176.500 174.600 -0.036 0.000 1.035 287 S CA 1.019 59.202 58.200 -0.029 0.000 1.025 287 S CB -0.828 62.317 63.200 -0.092 0.000 0.902 287 S HN 0.351 nan 8.310 nan 0.000 0.440 288 H N 1.859 120.938 119.070 0.013 0.000 2.290 288 H HA 0.042 4.598 4.556 0.001 0.000 0.298 288 H C 2.323 177.668 175.328 0.028 0.000 1.087 288 H CA 1.804 57.862 56.048 0.017 0.000 1.291 288 H CB -0.481 29.282 29.762 0.002 0.000 1.369 288 H HN 0.357 nan 8.280 nan 0.000 0.492 289 L N 0.663 121.978 121.223 0.154 0.000 2.017 289 L HA -0.176 4.165 4.340 0.001 0.000 0.208 289 L C 2.420 179.352 176.870 0.104 0.000 1.073 289 L CA 1.313 56.218 54.840 0.108 0.000 0.745 289 L CB -0.445 41.661 42.059 0.078 0.000 0.894 289 L HN 0.310 nan 8.230 nan 0.000 0.432 290 E N -0.333 119.914 120.200 0.078 0.000 2.204 290 E HA -0.272 4.079 4.350 0.001 0.000 0.194 290 E C 2.110 178.748 176.600 0.062 0.000 0.989 290 E CA 0.762 57.201 56.400 0.065 0.000 0.824 290 E CB -0.058 29.667 29.700 0.042 0.000 0.756 290 E HN 0.507 nan 8.360 nan 0.000 0.477 291 Q N 0.728 120.562 119.800 0.057 0.000 2.167 291 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 291 Q C 2.107 178.156 176.000 0.083 0.000 0.970 291 Q CA 0.796 56.630 55.803 0.051 0.000 0.855 291 Q CB 0.115 28.872 28.738 0.031 0.000 0.911 291 Q HN 0.320 nan 8.270 nan 0.000 0.438 292 I N -0.277 120.363 120.570 0.116 0.000 2.202 292 I HA -0.236 3.935 4.170 0.001 0.000 0.242 292 I C 2.165 178.375 176.117 0.155 0.000 1.091 292 I CA 0.679 62.070 61.300 0.152 0.000 1.368 292 I CB -0.175 37.943 38.000 0.196 0.000 1.058 292 I HN 0.053 nan 8.210 nan 0.000 0.410 293 V N 1.040 121.044 119.914 0.150 0.000 2.568 293 V HA -0.296 3.825 4.120 0.001 0.000 0.253 293 V C 2.600 178.751 176.094 0.095 0.000 1.072 293 V CA 1.874 64.255 62.300 0.134 0.000 1.084 293 V CB -0.857 31.032 31.823 0.110 0.000 0.676 293 V HN 0.411 nan 8.190 nan 0.000 0.469 294 R N -0.168 120.379 120.500 0.078 0.000 2.062 294 R HA -0.092 4.249 4.340 0.001 0.000 0.231 294 R C 2.298 178.632 176.300 0.056 0.000 1.136 294 R CA 1.525 57.657 56.100 0.054 0.000 0.948 294 R CB -0.289 30.036 30.300 0.041 0.000 0.845 294 R HN 0.423 nan 8.270 nan 0.000 0.430 295 L N 0.535 121.796 121.223 0.063 0.000 2.079 295 L HA -0.197 4.144 4.340 0.001 0.000 0.210 295 L C 2.383 179.289 176.870 0.060 0.000 1.081 295 L CA 1.202 56.071 54.840 0.048 0.000 0.752 295 L CB -0.304 41.784 42.059 0.049 0.000 0.896 295 L HN 0.321 nan 8.230 nan 0.000 0.433 296 I N -0.505 120.125 120.570 0.100 0.000 2.226 296 I HA -0.283 3.888 4.170 0.001 0.000 0.245 296 I C 2.699 178.944 176.117 0.213 0.000 1.100 296 I CA 1.652 63.040 61.300 0.146 0.000 1.374 296 I CB -0.313 37.789 38.000 0.171 0.000 1.057 296 I HN 0.354 nan 8.210 nan 0.000 0.413 297 S N 0.101 115.877 115.700 0.127 0.000 2.481 297 S HA -0.099 4.371 4.470 0.001 0.000 0.231 297 S C 1.434 176.066 174.600 0.052 0.000 0.996 297 S CA 0.691 58.935 58.200 0.073 0.000 0.942 297 S CB -0.357 62.860 63.200 0.028 0.000 0.768 297 S HN 0.524 nan 8.310 nan 0.000 0.520 298 E N 1.769 122.001 120.200 0.053 0.000 2.463 298 E HA 0.151 4.501 4.350 0.001 0.000 0.193 298 E C 0.272 176.884 176.600 0.020 0.000 1.041 298 E CA 0.035 56.450 56.400 0.023 0.000 0.879 298 E CB 0.493 30.198 29.700 0.007 0.000 0.997 298 E HN 0.687 nan 8.360 nan 0.000 0.478 299 S N -0.606 115.135 115.700 0.068 0.000 2.681 299 S HA 0.637 5.107 4.470 0.001 0.000 0.299 299 S C 0.640 175.315 174.600 0.125 0.000 1.113 299 S CA -0.313 57.901 58.200 0.024 0.000 1.013 299 S CB 1.941 65.110 63.200 -0.052 0.000 1.076 299 S HN 0.073 nan 8.310 nan 0.000 0.534 300 K N 0.188 120.570 120.400 -0.030 0.000 2.474 300 K HA 0.397 4.717 4.320 0.001 0.000 0.202 300 K C 0.595 177.045 176.600 -0.249 0.000 1.248 300 K CA 0.176 56.469 56.287 0.011 0.000 0.946 300 K CB -0.182 32.288 32.500 -0.049 0.000 1.102 300 K HN 0.711 nan 8.250 nan 0.000 0.541 301 K N 2.353 122.344 120.400 -0.682 0.000 3.022 301 K HA 0.238 4.558 4.320 0.001 0.000 0.178 301 K C -2.967 172.919 176.600 -1.190 0.000 1.089 301 K CA -1.759 53.514 56.287 -1.690 0.000 0.916 301 K CB 1.860 33.148 32.500 -2.019 0.000 1.159 301 K HN 0.235 nan 8.250 nan 0.000 0.592 302 P HA 0.188 nan 4.420 nan 0.000 0.278 302 P C -0.420 176.778 177.300 -0.170 0.000 1.238 302 P CA -0.378 62.426 63.100 -0.493 0.000 0.794 302 P CB 1.719 33.014 31.700 -0.675 0.000 0.955 303 V N 3.664 123.505 119.914 -0.121 0.000 2.733 303 V HA 0.289 4.409 4.120 0.001 0.000 0.306 303 V C 0.203 176.234 176.094 -0.106 0.000 1.084 303 V CA -0.746 61.536 62.300 -0.030 0.000 0.905 303 V CB 2.150 33.979 31.823 0.010 0.000 1.010 303 V HN 0.430 nan 8.190 nan 0.000 0.424 304 L N 4.489 125.647 121.223 -0.109 0.000 2.276 304 L HA 0.426 4.766 4.340 0.001 0.000 0.286 304 L C -1.028 175.797 176.870 -0.075 0.000 1.061 304 L CA -0.554 54.177 54.840 -0.181 0.000 0.807 304 L CB 0.837 42.782 42.059 -0.190 0.000 1.177 304 L HN 0.708 nan 8.230 nan 0.000 0.429 305 Y N 5.469 125.609 120.300 -0.267 0.000 2.717 305 Y HA 0.436 4.987 4.550 0.001 0.000 0.329 305 Y C -0.742 175.058 175.900 -0.165 0.000 1.017 305 Y CA -1.239 56.745 58.100 -0.194 0.000 1.275 305 Y CB 0.593 38.927 38.460 -0.210 0.000 1.109 305 Y HN 0.157 nan 8.280 nan 0.000 0.511 306 V N 5.739 125.672 119.914 0.032 0.000 2.481 306 V HA 0.833 4.954 4.120 0.001 0.000 0.286 306 V C 0.557 176.634 176.094 -0.029 0.000 1.042 306 V CA 0.029 62.309 62.300 -0.033 0.000 0.928 306 V CB 1.128 32.967 31.823 0.028 0.000 0.986 306 V HN 0.881 nan 8.190 nan 0.000 0.462 307 G N 2.162 110.920 108.800 -0.071 0.000 3.176 307 G HA2 0.527 4.488 3.960 0.001 0.000 0.272 307 G HA3 0.527 4.488 3.960 0.001 0.000 0.272 307 G C 0.907 175.811 174.900 0.007 0.000 1.349 307 G CA 0.012 45.086 45.100 -0.044 0.000 0.953 307 G HN 0.872 nan 8.290 nan 0.000 0.559 308 G N -0.500 108.309 108.800 0.016 0.000 2.501 308 G HA2 0.113 4.074 3.960 0.001 0.000 0.220 308 G HA3 0.113 4.074 3.960 0.001 0.000 0.220 308 G C 1.551 176.467 174.900 0.026 0.000 1.114 308 G CA 1.532 46.651 45.100 0.032 0.000 0.757 308 G HN 1.051 nan 8.290 nan 0.000 0.559 309 G N -0.428 108.381 108.800 0.015 0.000 2.559 309 G HA2 -0.093 3.867 3.960 0.001 0.000 0.216 309 G HA3 -0.093 3.867 3.960 0.001 0.000 0.216 309 G C 1.298 176.209 174.900 0.018 0.000 1.126 309 G CA 1.039 46.147 45.100 0.013 0.000 0.778 309 G HN 0.453 nan 8.290 nan 0.000 0.543 310 C N 0.478 119.799 119.300 0.036 0.000 2.791 310 C HA 0.337 4.797 4.460 0.001 0.000 0.270 310 C C 2.441 177.467 174.990 0.059 0.000 1.257 310 C CA -0.560 58.487 59.018 0.050 0.000 1.699 310 C CB -0.962 26.823 27.740 0.076 0.000 1.904 310 C HN 0.425 nan 8.230 nan 0.000 0.603 311 L N 1.211 122.466 121.223 0.055 0.000 2.349 311 L HA -0.158 4.182 4.340 0.001 0.000 0.220 311 L C 1.339 178.244 176.870 0.057 0.000 1.130 311 L CA 1.495 56.372 54.840 0.062 0.000 0.791 311 L CB -0.571 41.522 42.059 0.057 0.000 0.918 311 L HN 0.574 nan 8.230 nan 0.000 0.444 312 N N -1.757 116.970 118.700 0.045 0.000 2.235 312 N HA 0.081 4.821 4.740 0.001 0.000 0.231 312 N C 0.307 175.842 175.510 0.041 0.000 1.177 312 N CA -0.202 52.873 53.050 0.041 0.000 0.874 312 N CB 0.776 39.281 38.487 0.029 0.000 1.097 312 N HN -0.013 nan 8.380 nan 0.000 0.518 313 S N -0.801 114.929 115.700 0.050 0.000 2.843 313 S HA 0.094 4.564 4.470 0.001 0.000 0.249 313 S C 1.260 175.912 174.600 0.086 0.000 1.047 313 S CA -0.396 57.835 58.200 0.052 0.000 1.042 313 S CB 0.590 63.806 63.200 0.028 0.000 0.936 313 S HN 0.203 nan 8.310 nan 0.000 0.531 314 S N 2.796 118.552 115.700 0.094 0.000 2.368 314 S HA -0.215 4.256 4.470 0.001 0.000 0.226 314 S C 1.486 176.165 174.600 0.133 0.000 1.044 314 S CA 1.977 60.249 58.200 0.119 0.000 1.062 314 S CB -0.239 63.022 63.200 0.101 0.000 0.931 314 S HN 0.515 nan 8.310 nan 0.000 0.440 315 D N 0.545 121.010 120.400 0.107 0.000 2.097 315 D HA -0.035 4.605 4.640 0.001 0.000 0.197 315 D C 2.102 178.479 176.300 0.128 0.000 0.984 315 D CA 1.171 55.237 54.000 0.110 0.000 0.826 315 D CB -0.643 40.208 40.800 0.084 0.000 0.973 315 D HN 0.449 nan 8.370 nan 0.000 0.460 316 E N 0.597 120.863 120.200 0.111 0.000 2.058 316 E HA -0.142 4.208 4.350 0.001 0.000 0.194 316 E C 1.974 178.678 176.600 0.173 0.000 0.997 316 E CA 0.299 56.770 56.400 0.118 0.000 0.801 316 E CB -0.402 29.339 29.700 0.068 0.000 0.746 316 E HN 0.146 nan 8.360 nan 0.000 0.450 317 L N 0.302 121.625 121.223 0.166 0.000 2.046 317 L HA -0.021 4.319 4.340 0.001 0.000 0.208 317 L C 2.038 179.078 176.870 0.283 0.000 1.077 317 L CA 2.267 57.232 54.840 0.208 0.000 0.747 317 L CB -1.005 41.162 42.059 0.181 0.000 0.896 317 L HN 0.183 nan 8.230 nan 0.000 0.432 318 G N -0.806 108.169 108.800 0.293 0.000 2.480 318 G HA2 -0.379 3.581 3.960 0.001 0.000 0.216 318 G HA3 -0.379 3.581 3.960 0.001 0.000 0.216 318 G C 1.743 176.800 174.900 0.261 0.000 1.200 318 G CA 0.904 46.207 45.100 0.339 0.000 0.782 318 G HN 0.382 nan 8.290 nan 0.000 0.554 319 R N -0.171 120.456 120.500 0.212 0.000 2.105 319 R HA -0.067 4.274 4.340 0.001 0.000 0.239 319 R C 2.169 178.579 176.300 0.184 0.000 1.135 319 R CA 1.437 57.639 56.100 0.170 0.000 0.967 319 R CB -0.875 29.514 30.300 0.148 0.000 0.861 319 R HN 0.361 nan 8.270 nan 0.000 0.442 320 F N -0.261 119.744 119.950 0.093 0.000 2.102 320 F HA -0.162 4.365 4.527 0.001 0.000 0.298 320 F C 1.871 177.710 175.800 0.065 0.000 1.105 320 F CA 1.717 59.769 58.000 0.088 0.000 1.239 320 F CB -0.321 38.746 39.000 0.112 0.000 0.991 320 F HN -0.133 nan 8.300 nan 0.000 0.474 321 V N 0.332 120.355 119.914 0.182 0.000 2.515 321 V HA -0.281 3.840 4.120 0.001 0.000 0.250 321 V C 2.284 178.388 176.094 0.016 0.000 1.058 321 V CA 2.069 64.382 62.300 0.022 0.000 1.064 321 V CB -0.814 30.931 31.823 -0.129 0.000 0.675 321 V HN 0.457 nan 8.190 nan 0.000 0.461 322 E N 0.375 120.616 120.200 0.069 0.000 2.072 322 E HA -0.192 4.159 4.350 0.001 0.000 0.191 322 E C 2.108 178.712 176.600 0.006 0.000 0.985 322 E CA 1.256 57.694 56.400 0.063 0.000 0.801 322 E CB -0.113 29.640 29.700 0.088 0.000 0.750 322 E HN 0.590 nan 8.360 nan 0.000 0.452 323 L N 0.262 121.456 121.223 -0.047 0.000 2.313 323 L HA -0.025 4.315 4.340 0.001 0.000 0.214 323 L C 2.423 179.221 176.870 -0.120 0.000 1.119 323 L CA 1.385 56.175 54.840 -0.084 0.000 0.809 323 L CB -0.037 41.960 42.059 -0.104 0.000 0.933 323 L HN 0.334 nan 8.230 nan 0.000 0.449 324 T N -5.460 108.993 114.554 -0.168 0.000 2.978 324 T HA 0.217 4.567 4.350 0.001 0.000 0.248 324 T C 1.425 176.208 174.700 0.137 0.000 1.018 324 T CA 0.466 62.526 62.100 -0.066 0.000 1.026 324 T CB 0.593 69.308 68.868 -0.256 0.000 1.032 324 T HN 0.259 nan 8.240 nan 0.000 0.485 325 G N 2.086 110.928 108.800 0.070 0.000 2.246 325 G HA2 -0.193 3.767 3.960 0.001 0.000 0.273 325 G HA3 -0.193 3.767 3.960 0.001 0.000 0.273 325 G C -0.101 174.898 174.900 0.165 0.000 1.055 325 G CA 0.237 45.418 45.100 0.135 0.000 0.851 325 G HN 0.728 nan 8.290 nan 0.000 0.500 326 I N 1.680 122.272 120.570 0.037 0.000 2.353 326 I HA 0.314 4.485 4.170 0.001 0.000 0.293 326 I C -1.430 174.655 176.117 -0.053 0.000 0.992 326 I CA -2.563 58.702 61.300 -0.058 0.000 1.268 326 I CB 1.534 39.458 38.000 -0.126 0.000 1.387 326 I HN -0.047 nan 8.210 nan 0.000 0.478 327 P HA 0.054 nan 4.420 nan 0.000 0.268 327 P C -0.726 176.530 177.300 -0.072 0.000 1.205 327 P CA -0.042 63.032 63.100 -0.043 0.000 0.771 327 P CB 1.049 32.722 31.700 -0.045 0.000 0.858 328 V N 2.706 122.563 119.914 -0.094 0.000 2.370 328 V HA 0.548 4.668 4.120 0.001 0.000 0.283 328 V C 0.570 176.657 176.094 -0.011 0.000 1.023 328 V CA -0.715 61.527 62.300 -0.097 0.000 0.857 328 V CB 0.925 32.617 31.823 -0.220 0.000 0.985 328 V HN 0.729 nan 8.190 nan 0.000 0.443 329 A N 3.701 126.520 122.820 -0.001 0.000 2.304 329 A HA 0.818 5.138 4.320 0.001 0.000 0.323 329 A C -0.031 177.596 177.584 0.073 0.000 1.195 329 A CA -0.388 51.663 52.037 0.023 0.000 0.826 329 A CB 1.544 20.535 19.000 -0.015 0.000 1.184 329 A HN 0.774 nan 8.150 nan 0.000 0.496 330 S N 0.989 116.738 115.700 0.082 0.000 2.621 330 S HA 0.776 5.246 4.470 0.001 0.000 0.302 330 S C 0.426 175.082 174.600 0.093 0.000 1.093 330 S CA 0.170 58.429 58.200 0.098 0.000 1.017 330 S CB 1.142 64.396 63.200 0.090 0.000 1.077 330 S HN 1.298 nan 8.310 nan 0.000 0.517 331 T N 1.423 116.040 114.554 0.104 0.000 2.862 331 T HA 0.393 4.744 4.350 0.001 0.000 0.276 331 T C 1.285 176.018 174.700 0.056 0.000 0.974 331 T CA -0.667 61.490 62.100 0.095 0.000 0.966 331 T CB 0.524 69.459 68.868 0.111 0.000 1.072 331 T HN 0.459 nan 8.240 nan 0.000 0.538 332 L N 0.226 121.490 121.223 0.068 0.000 2.079 332 L HA 0.007 4.347 4.340 0.001 0.000 0.210 332 L C 2.260 179.261 176.870 0.218 0.000 1.081 332 L CA 1.789 56.695 54.840 0.110 0.000 0.752 332 L CB -0.911 41.243 42.059 0.159 0.000 0.896 332 L HN 0.632 nan 8.230 nan 0.000 0.433 333 M N -1.391 118.300 119.600 0.151 0.000 2.419 333 M HA 0.108 4.588 4.480 0.001 0.000 0.264 333 M C 1.990 178.368 176.300 0.130 0.000 1.082 333 M CA 1.107 56.495 55.300 0.148 0.000 1.119 333 M CB -1.644 30.994 32.600 0.063 0.000 1.398 333 M HN 0.378 nan 8.290 nan 0.000 0.453 334 G N -0.034 108.818 108.800 0.086 0.000 3.042 334 G HA2 0.211 4.171 3.960 0.001 0.000 0.212 334 G HA3 0.211 4.171 3.960 0.001 0.000 0.212 334 G C 0.704 175.639 174.900 0.058 0.000 1.166 334 G CA -0.361 44.782 45.100 0.072 0.000 0.767 334 G HN 0.286 nan 8.290 nan 0.000 0.546 335 L N 0.644 121.857 121.223 -0.018 0.000 2.615 335 L HA 0.232 4.572 4.340 0.001 0.000 0.284 335 L C 1.674 178.532 176.870 -0.020 0.000 1.237 335 L CA 1.284 56.048 54.840 -0.126 0.000 0.905 335 L CB 0.346 42.039 42.059 -0.610 0.000 1.149 335 L HN 0.360 nan 8.230 nan 0.000 0.499 336 G N 1.596 110.457 108.800 0.101 0.000 2.234 336 G HA2 -0.309 3.651 3.960 0.001 0.000 0.235 336 G HA3 -0.309 3.651 3.960 0.001 0.000 0.235 336 G C 1.042 176.033 174.900 0.151 0.000 0.997 336 G CA 0.388 45.590 45.100 0.171 0.000 0.623 336 G HN 0.593 nan 8.290 nan 0.000 0.514 337 S N -0.965 114.824 115.700 0.149 0.000 2.382 337 S HA 0.092 4.563 4.470 0.001 0.000 0.228 337 S C 0.632 175.373 174.600 0.234 0.000 1.027 337 S CA 1.464 59.763 58.200 0.164 0.000 0.991 337 S CB -0.020 63.269 63.200 0.148 0.000 0.823 337 S HN 0.753 nan 8.310 nan 0.000 0.469 338 Y N 2.815 123.169 120.300 0.090 0.000 2.361 338 Y HA 0.407 4.958 4.550 0.001 0.000 0.337 338 Y C -2.445 173.512 175.900 0.096 0.000 0.965 338 Y CA -3.166 54.987 58.100 0.088 0.000 1.091 338 Y CB 1.017 39.523 38.460 0.078 0.000 1.182 338 Y HN -0.012 nan 8.280 nan 0.000 0.450 342 D N 1.519 121.888 120.400 -0.052 0.000 2.423 342 D HA -0.032 4.609 4.640 0.001 0.000 0.238 342 D C 1.220 177.531 176.300 0.019 0.000 1.142 342 D CA 0.544 54.514 54.000 -0.052 0.000 0.884 342 D CB 1.176 41.863 40.800 -0.188 0.000 1.199 342 D HN 0.487 nan 8.370 nan 0.000 0.438 343 E N 2.511 122.731 120.200 0.032 0.000 2.268 343 E HA -0.136 4.214 4.350 0.001 0.000 0.195 343 E C 1.745 178.365 176.600 0.033 0.000 0.995 343 E CA 0.587 57.000 56.400 0.022 0.000 0.836 343 E CB -0.105 29.604 29.700 0.015 0.000 0.763 343 E HN 0.477 nan 8.360 nan 0.000 0.491 344 L N 1.236 122.528 121.223 0.115 0.000 2.554 344 L HA 0.091 4.431 4.340 0.001 0.000 0.226 344 L C 1.129 178.074 176.870 0.126 0.000 1.137 344 L CA -0.180 54.737 54.840 0.128 0.000 0.863 344 L CB 0.314 42.489 42.059 0.193 0.000 0.985 344 L HN 0.049 nan 8.230 nan 0.000 0.451 345 S N 0.017 115.799 115.700 0.136 0.000 2.505 345 S HA 0.203 4.673 4.470 0.001 0.000 0.276 345 S C 0.796 175.258 174.600 -0.231 0.000 1.274 345 S CA -0.463 57.754 58.200 0.028 0.000 1.053 345 S CB 0.716 63.911 63.200 -0.008 0.000 0.919 345 S HN 0.235 nan 8.310 nan 0.000 0.490 346 L N 4.563 125.714 121.223 -0.119 0.000 2.607 346 L HA 0.302 4.643 4.340 0.001 0.000 0.228 346 L C 0.580 177.448 176.870 -0.004 0.000 1.123 346 L CA -0.110 54.739 54.840 0.015 0.000 0.890 346 L CB -0.761 41.338 42.059 0.067 0.000 1.103 346 L HN 0.927 nan 8.230 nan 0.000 0.468 347 H N -2.225 116.933 119.070 0.145 0.000 1.452 347 H HA -0.299 4.258 4.556 0.001 0.000 0.090 347 H C 0.256 175.583 175.328 -0.001 0.000 2.690 347 H CA 0.855 56.941 56.048 0.064 0.000 1.901 347 H CB -0.728 29.058 29.762 0.041 0.000 2.257 347 H HN 0.130 nan 8.280 nan 0.000 0.961 348 M N 1.788 121.457 119.600 0.115 0.000 2.235 348 M HA 0.365 4.845 4.480 0.001 0.000 0.351 348 M C -0.749 175.541 176.300 -0.017 0.000 1.178 348 M CA -0.873 54.444 55.300 0.028 0.000 1.143 348 M CB 0.398 32.998 32.600 0.000 0.000 1.530 348 M HN 0.404 nan 8.290 nan 0.000 0.461 349 L N 3.316 124.529 121.223 -0.016 0.000 2.299 349 L HA 1.118 5.458 4.340 0.001 0.000 0.268 349 L C 0.168 177.025 176.870 -0.022 0.000 1.012 349 L CA -0.348 54.466 54.840 -0.042 0.000 0.816 349 L CB -0.093 41.916 42.059 -0.082 0.000 1.355 349 L HN 0.901 nan 8.230 nan 0.000 0.457 350 G N -1.127 107.660 108.800 -0.023 0.000 2.466 350 G HA2 -0.159 3.801 3.960 0.001 0.000 0.316 350 G HA3 -0.159 3.801 3.960 0.001 0.000 0.316 350 G C 0.325 175.214 174.900 -0.019 0.000 1.270 350 G CA 0.073 45.158 45.100 -0.025 0.000 0.982 350 G HN 1.127 nan 8.290 nan 0.000 0.506 351 M N -0.865 118.701 119.600 -0.055 0.000 2.103 351 M HA -0.169 4.311 4.480 0.001 0.000 0.255 351 M C 1.463 177.591 176.300 -0.286 0.000 1.074 351 M CA 2.604 57.807 55.300 -0.162 0.000 1.090 351 M CB -0.232 32.262 32.600 -0.176 0.000 1.325 351 M HN 0.586 nan 8.290 nan 0.000 0.403 352 H N -0.532 118.569 119.070 0.051 0.000 2.475 352 H HA 0.361 4.917 4.556 0.001 0.000 0.276 352 H C 0.373 175.715 175.328 0.023 0.000 1.126 352 H CA 0.278 56.356 56.048 0.049 0.000 1.023 352 H CB -0.461 29.326 29.762 0.043 0.000 1.669 352 H HN 0.425 nan 8.280 nan 0.000 0.573 353 G N 1.013 109.858 108.800 0.076 0.000 2.572 353 G HA2 0.194 4.155 3.960 0.001 0.000 0.261 353 G HA3 0.194 4.155 3.960 0.001 0.000 0.261 353 G C 0.399 175.284 174.900 -0.026 0.000 1.197 353 G CA -0.325 44.782 45.100 0.012 0.000 0.870 353 G HN 0.243 nan 8.290 nan 0.000 0.548 354 T N -1.677 112.782 114.554 -0.159 0.000 2.903 354 T HA 0.049 4.399 4.350 0.001 0.000 0.314 354 T C 1.564 176.126 174.700 -0.231 0.000 1.078 354 T CA -0.202 61.697 62.100 -0.334 0.000 1.114 354 T CB 1.213 69.483 68.868 -0.996 0.000 0.987 354 T HN 0.222 nan 8.240 nan 0.000 0.548 355 V N 2.911 122.790 119.914 -0.058 0.000 2.392 355 V HA -0.181 3.939 4.120 0.001 0.000 0.249 355 V C 2.188 178.374 176.094 0.153 0.000 1.059 355 V CA 2.176 64.570 62.300 0.156 0.000 1.051 355 V CB -1.376 30.577 31.823 0.216 0.000 0.658 355 V HN 1.058 nan 8.190 nan 0.000 0.455 356 Y N 0.421 120.789 120.300 0.113 0.000 2.314 356 Y HA 0.193 4.743 4.550 0.001 0.000 0.293 356 Y C 2.401 178.326 175.900 0.042 0.000 1.129 356 Y CA 0.868 58.994 58.100 0.043 0.000 1.201 356 Y CB -1.185 37.273 38.460 -0.004 0.000 0.999 356 Y HN 0.066 nan 8.280 nan 0.000 0.541 357 A N 1.738 124.441 122.820 -0.195 0.000 1.858 357 A HA -0.203 4.118 4.320 0.001 0.000 0.216 357 A C 2.038 179.554 177.584 -0.113 0.000 1.190 357 A CA 1.858 53.829 52.037 -0.110 0.000 0.617 357 A CB -0.849 18.051 19.000 -0.166 0.000 0.827 357 A HN 0.534 nan 8.150 nan 0.000 0.443 358 N N -1.509 117.122 118.700 -0.116 0.000 2.223 358 N HA -0.164 4.577 4.740 0.001 0.000 0.185 358 N C 1.537 176.689 175.510 -0.597 0.000 1.016 358 N CA 1.611 54.544 53.050 -0.195 0.000 0.863 358 N CB -0.536 37.991 38.487 0.066 0.000 0.983 358 N HN 0.715 nan 8.380 nan 0.000 0.429 359 Y N 1.656 121.539 120.300 -0.696 0.000 2.163 359 Y HA -0.080 4.470 4.550 0.001 0.000 0.288 359 Y C 2.353 178.033 175.900 -0.365 0.000 1.136 359 Y CA 1.657 59.262 58.100 -0.826 0.000 1.147 359 Y CB -0.460 37.823 38.460 -0.295 0.000 0.987 359 Y HN 0.051 nan 8.280 nan 0.000 0.509 360 A N -0.229 122.544 122.820 -0.079 0.000 1.892 360 A HA -0.218 4.102 4.320 0.001 0.000 0.218 360 A C 2.288 179.850 177.584 -0.037 0.000 1.188 360 A CA 2.498 54.545 52.037 0.016 0.000 0.631 360 A CB -1.426 17.588 19.000 0.024 0.000 0.822 360 A HN 0.371 nan 8.150 nan 0.000 0.447 361 V N -0.091 119.681 119.914 -0.236 0.000 2.358 361 V HA -0.226 3.895 4.120 0.001 0.000 0.246 361 V C 2.531 178.331 176.094 -0.490 0.000 1.047 361 V CA 2.305 64.386 62.300 -0.365 0.000 1.035 361 V CB -0.828 30.726 31.823 -0.448 0.000 0.658 361 V HN 0.736 nan 8.190 nan 0.000 0.452 362 E N -0.069 119.753 120.200 -0.630 0.000 2.209 362 E HA -0.228 4.123 4.350 0.001 0.000 0.196 362 E C 1.813 177.925 176.600 -0.813 0.000 0.993 362 E CA 1.526 57.461 56.400 -0.775 0.000 0.819 362 E CB -0.111 28.928 29.700 -1.100 0.000 0.745 362 E HN 0.748 nan 8.360 nan 0.000 0.477 363 H N -0.928 117.915 119.070 -0.379 0.000 2.784 363 H HA 0.250 4.807 4.556 0.001 0.000 0.273 363 H C 0.176 175.326 175.328 -0.296 0.000 1.112 363 H CA 0.551 56.432 56.048 -0.279 0.000 1.162 363 H CB 0.061 29.654 29.762 -0.283 0.000 1.586 363 H HN 0.105 nan 8.280 nan 0.000 0.548 364 S N 1.569 117.141 115.700 -0.213 0.000 2.579 364 S HA 0.012 4.482 4.470 0.001 0.000 0.275 364 S C 0.947 175.328 174.600 -0.366 0.000 1.345 364 S CA -0.096 57.886 58.200 -0.362 0.000 1.031 364 S CB 1.298 64.360 63.200 -0.230 0.000 0.892 364 S HN 0.362 nan 8.310 nan 0.000 0.529 365 D N -0.148 120.000 120.400 -0.420 0.000 2.441 365 D HA 0.216 4.857 4.640 0.001 0.000 0.210 365 D C -0.119 176.020 176.300 -0.268 0.000 1.102 365 D CA -0.181 53.633 54.000 -0.311 0.000 0.840 365 D CB -0.135 40.482 40.800 -0.304 0.000 0.990 365 D HN 0.381 nan 8.370 nan 0.000 0.505 366 L N 0.791 121.850 121.223 -0.274 0.000 2.541 366 L HA 0.447 4.787 4.340 0.001 0.000 0.266 366 L C -2.113 174.655 176.870 -0.171 0.000 0.966 366 L CA -0.931 53.789 54.840 -0.200 0.000 0.871 366 L CB 1.976 43.924 42.059 -0.185 0.000 1.232 366 L HN -0.043 nan 8.230 nan 0.000 0.408 367 L N 5.854 127.013 121.223 -0.107 0.000 2.280 367 L HA 0.551 4.891 4.340 0.001 0.000 0.287 367 L C -1.094 175.762 176.870 -0.022 0.000 1.023 367 L CA -0.080 54.718 54.840 -0.070 0.000 0.819 367 L CB 1.190 43.227 42.059 -0.037 0.000 1.212 367 L HN 0.586 nan 8.230 nan 0.000 0.420 368 L N 6.333 127.474 121.223 -0.137 0.000 2.352 368 L HA 0.466 4.806 4.340 0.001 0.000 0.272 368 L C 0.462 177.066 176.870 -0.443 0.000 1.109 368 L CA -0.476 54.157 54.840 -0.345 0.000 0.952 368 L CB 0.704 42.364 42.059 -0.665 0.000 1.314 368 L HN 0.781 nan 8.230 nan 0.000 0.427 369 A N 3.857 126.651 122.820 -0.042 0.000 2.539 369 A HA 0.481 4.801 4.320 0.001 0.000 0.306 369 A C -0.589 177.132 177.584 0.228 0.000 1.392 369 A CA -0.071 51.926 52.037 -0.066 0.000 1.060 369 A CB -0.459 18.552 19.000 0.017 0.000 1.134 369 A HN 0.394 nan 8.150 nan 0.000 0.542 370 F N 1.413 121.277 119.950 -0.144 0.000 2.375 370 F HA 0.532 5.060 4.527 0.001 0.000 0.361 370 F C 1.215 176.942 175.800 -0.123 0.000 1.117 370 F CA -0.698 57.247 58.000 -0.093 0.000 1.037 370 F CB 1.008 39.933 39.000 -0.125 0.000 1.192 370 F HN 0.846 nan 8.300 nan 0.000 0.452 371 G N 2.110 110.985 108.800 0.125 0.000 2.246 371 G HA2 -0.049 3.912 3.960 0.001 0.000 0.273 371 G HA3 -0.049 3.912 3.960 0.001 0.000 0.273 371 G C -0.428 174.452 174.900 -0.034 0.000 1.055 371 G CA 0.228 45.352 45.100 0.040 0.000 0.851 371 G HN 0.971 nan 8.290 nan 0.000 0.500 372 V N -3.716 116.147 119.914 -0.084 0.000 3.113 372 V HA 0.966 5.086 4.120 0.001 0.000 0.316 372 V C 0.645 176.742 176.094 0.005 0.000 1.125 372 V CA -0.605 61.536 62.300 -0.265 0.000 1.026 372 V CB 1.912 33.095 31.823 -1.067 0.000 1.080 372 V HN 0.701 nan 8.190 nan 0.000 0.444 373 R N 0.212 120.728 120.500 0.026 0.000 2.629 373 R HA 0.416 4.757 4.340 0.001 0.000 0.408 373 R C -0.779 175.706 176.300 0.308 0.000 1.057 373 R CA -0.403 55.827 56.100 0.218 0.000 1.119 373 R CB -0.275 30.103 30.300 0.130 0.000 1.403 373 R HN 0.625 nan 8.270 nan 0.000 0.576 374 F N 1.747 121.700 119.950 0.004 0.000 2.829 374 F HA -0.261 4.266 4.527 0.001 0.000 0.237 374 F C 0.239 175.990 175.800 -0.083 0.000 1.017 374 F CA 1.118 59.107 58.000 -0.018 0.000 0.882 374 F CB -1.721 37.246 39.000 -0.055 0.000 0.795 374 F HN 0.402 nan 8.300 nan 0.000 0.848 375 D N 1.009 121.428 120.400 0.032 0.000 2.382 375 D HA 0.158 4.798 4.640 0.001 0.000 0.240 375 D C 1.264 177.524 176.300 -0.066 0.000 1.146 375 D CA 0.415 54.412 54.000 -0.005 0.000 0.897 375 D CB 0.750 41.547 40.800 -0.005 0.000 1.197 375 D HN 0.406 nan 8.370 nan 0.000 0.432 376 D N 1.162 121.535 120.400 -0.045 0.000 2.264 376 D HA -0.166 4.474 4.640 0.001 0.000 0.208 376 D C 1.460 177.724 176.300 -0.061 0.000 0.966 376 D CA 0.734 54.699 54.000 -0.057 0.000 0.864 376 D CB 0.119 40.902 40.800 -0.028 0.000 0.933 376 D HN 0.107 nan 8.370 nan 0.000 0.499 377 R N 0.176 120.648 120.500 -0.047 0.000 2.115 377 R HA 0.069 4.409 4.340 0.001 0.000 0.230 377 R C 2.134 178.395 176.300 -0.065 0.000 1.111 377 R CA 0.566 56.646 56.100 -0.033 0.000 0.976 377 R CB -0.700 29.594 30.300 -0.010 0.000 0.870 377 R HN 0.270 nan 8.270 nan 0.000 0.445 378 V N -0.425 119.421 119.914 -0.114 0.000 2.426 378 V HA -0.108 4.012 4.120 0.001 0.000 0.242 378 V C 2.177 178.071 176.094 -0.333 0.000 1.036 378 V CA 1.956 64.142 62.300 -0.189 0.000 1.044 378 V CB -0.518 31.177 31.823 -0.214 0.000 0.688 378 V HN 0.496 nan 8.190 nan 0.000 0.462 379 T N -2.238 112.023 114.554 -0.488 0.000 2.985 379 T HA 0.264 4.615 4.350 0.001 0.000 0.266 379 T C 1.462 176.052 174.700 -0.182 0.000 1.076 379 T CA 1.235 62.925 62.100 -0.685 0.000 1.135 379 T CB -0.015 68.416 68.868 -0.729 0.000 0.890 379 T HN 0.976 nan 8.240 nan 0.000 0.480 380 G N 2.054 110.791 108.800 -0.104 0.000 2.574 380 G HA2 -0.349 3.611 3.960 0.001 0.000 0.286 380 G HA3 -0.349 3.611 3.960 0.001 0.000 0.286 380 G C -0.162 174.734 174.900 -0.007 0.000 1.212 380 G CA 0.182 45.267 45.100 -0.024 0.000 0.979 380 G HN 0.833 nan 8.290 nan 0.000 0.557 381 K N 1.135 121.552 120.400 0.028 0.000 2.336 381 K HA 0.418 4.739 4.320 0.001 0.000 0.290 381 K C 1.940 178.583 176.600 0.071 0.000 1.067 381 K CA -0.158 56.151 56.287 0.036 0.000 0.962 381 K CB -0.008 32.514 32.500 0.037 0.000 1.008 381 K HN 0.435 nan 8.250 nan 0.000 0.467 382 L N 3.425 124.680 121.223 0.054 0.000 2.034 382 L HA -0.312 4.028 4.340 0.001 0.000 0.217 382 L C 1.667 178.621 176.870 0.141 0.000 1.077 382 L CA 1.597 56.494 54.840 0.094 0.000 0.769 382 L CB -0.278 41.812 42.059 0.052 0.000 0.890 382 L HN 0.700 nan 8.230 nan 0.000 0.435 383 E N -0.205 120.046 120.200 0.086 0.000 2.153 383 E HA -0.187 4.164 4.350 0.001 0.000 0.194 383 E C 2.107 178.753 176.600 0.076 0.000 0.988 383 E CA 1.325 57.767 56.400 0.071 0.000 0.811 383 E CB -0.291 29.434 29.700 0.042 0.000 0.746 383 E HN 0.516 nan 8.360 nan 0.000 0.466 384 A N 0.183 123.055 122.820 0.087 0.000 2.123 384 A HA 0.054 4.374 4.320 0.001 0.000 0.214 384 A C 0.578 178.207 177.584 0.075 0.000 1.152 384 A CA -0.302 51.774 52.037 0.066 0.000 0.728 384 A CB -0.342 18.697 19.000 0.064 0.000 0.814 384 A HN 0.256 nan 8.150 nan 0.000 0.464 385 F N 1.280 121.218 119.950 -0.020 0.000 2.541 385 F HA 0.372 4.899 4.527 0.001 0.000 0.378 385 F C 1.146 176.921 175.800 -0.040 0.000 1.068 385 F CA -0.316 57.659 58.000 -0.041 0.000 1.199 385 F CB 0.165 39.160 39.000 -0.007 0.000 1.091 385 F HN 0.454 nan 8.300 nan 0.000 0.555 386 A N 3.736 126.100 122.820 -0.760 0.000 2.665 386 A HA -0.313 4.007 4.320 0.001 0.000 0.301 386 A C 1.777 179.208 177.584 -0.255 0.000 1.509 386 A CA 1.127 52.804 52.037 -0.600 0.000 0.789 386 A CB -2.331 16.201 19.000 -0.780 0.000 1.024 386 A HN 1.401 nan 8.150 nan 0.000 0.460 387 S N -1.448 114.151 115.700 -0.169 0.000 2.419 387 S HA 0.057 4.527 4.470 0.001 0.000 0.233 387 S C 1.404 175.965 174.600 -0.065 0.000 1.016 387 S CA 1.559 59.718 58.200 -0.069 0.000 0.974 387 S CB -0.384 62.790 63.200 -0.045 0.000 0.786 387 S HN 2.036 nan 8.310 nan 0.000 0.492 388 R N 0.464 120.895 120.500 -0.114 0.000 3.130 388 R HA 0.837 5.177 4.340 0.001 0.000 0.348 388 R C 0.032 176.246 176.300 -0.145 0.000 1.241 388 R CA 0.054 56.092 56.100 -0.103 0.000 1.141 388 R CB -0.675 29.569 30.300 -0.093 0.000 1.453 388 R HN 0.865 nan 8.270 nan 0.000 0.590 389 A N 0.303 123.037 122.820 -0.144 0.000 2.604 389 A HA 0.633 4.953 4.320 0.001 0.000 0.295 389 A C -1.185 176.258 177.584 -0.235 0.000 1.067 389 A CA -0.888 51.029 52.037 -0.199 0.000 0.683 389 A CB 1.102 19.969 19.000 -0.223 0.000 1.281 389 A HN 0.347 nan 8.150 nan 0.000 0.407 390 K N 1.305 121.483 120.400 -0.370 0.000 2.349 390 K HA 0.429 4.749 4.320 0.001 0.000 0.288 390 K C -0.894 175.610 176.600 -0.160 0.000 1.058 390 K CA 0.396 56.312 56.287 -0.617 0.000 0.953 390 K CB 0.531 32.745 32.500 -0.476 0.000 0.997 390 K HN 0.524 nan 8.250 nan 0.000 0.477 391 I N 3.442 124.095 120.570 0.137 0.000 2.336 391 I HA 0.163 4.334 4.170 0.001 0.000 0.292 391 I C -0.362 175.909 176.117 0.256 0.000 0.991 391 I CA -0.993 60.444 61.300 0.229 0.000 1.227 391 I CB 1.537 39.723 38.000 0.310 0.000 1.366 391 I HN 0.185 nan 8.210 nan 0.000 0.466 392 V N 6.114 126.172 119.914 0.239 0.000 2.384 392 V HA 0.302 4.423 4.120 0.001 0.000 0.287 392 V C -0.417 175.915 176.094 0.397 0.000 1.020 392 V CA -0.536 61.934 62.300 0.283 0.000 0.850 392 V CB 1.366 33.352 31.823 0.271 0.000 0.987 392 V HN 0.673 nan 8.190 nan 0.000 0.436 393 H N 5.383 124.599 119.070 0.244 0.000 2.646 393 H HA 0.592 5.149 4.556 0.001 0.000 0.328 393 H C -1.144 174.276 175.328 0.153 0.000 0.998 393 H CA -0.894 55.308 56.048 0.256 0.000 1.225 393 H CB 1.368 31.260 29.762 0.216 0.000 1.457 393 H HN 0.562 nan 8.280 nan 0.000 0.505 394 I N 5.587 126.340 120.570 0.305 0.000 2.354 394 I HA 0.182 4.352 4.170 0.001 0.000 0.286 394 I C -0.593 175.477 176.117 -0.078 0.000 1.007 394 I CA -0.226 61.056 61.300 -0.030 0.000 1.167 394 I CB 1.218 39.066 38.000 -0.253 0.000 1.320 394 I HN 0.579 nan 8.210 nan 0.000 0.458 395 D N 4.865 125.125 120.400 -0.233 0.000 2.732 395 D HA 0.230 4.870 4.640 0.001 0.000 0.229 395 D C 0.245 176.451 176.300 -0.157 0.000 1.152 395 D CA -0.525 53.362 54.000 -0.188 0.000 0.854 395 D CB 3.087 43.708 40.800 -0.299 0.000 1.590 395 D HN 0.347 nan 8.370 nan 0.000 0.468 396 I N 1.578 122.085 120.570 -0.105 0.000 3.111 396 I HA 0.012 4.182 4.170 0.001 0.000 0.272 396 I C 0.064 176.125 176.117 -0.094 0.000 1.268 396 I CA 0.743 61.985 61.300 -0.097 0.000 1.467 396 I CB -0.056 37.902 38.000 -0.070 0.000 1.087 396 I HN 0.217 nan 8.210 nan 0.000 0.467 397 D N -1.014 119.333 120.400 -0.089 0.000 2.440 397 D HA 0.156 4.797 4.640 0.001 0.000 0.239 397 D C 1.238 177.482 176.300 -0.093 0.000 1.084 397 D CA 0.301 54.257 54.000 -0.073 0.000 0.843 397 D CB 1.538 42.317 40.800 -0.035 0.000 1.097 397 D HN 0.196 nan 8.370 nan 0.000 0.531 398 S N 2.840 118.483 115.700 -0.095 0.000 2.383 398 S HA -0.197 4.273 4.470 0.001 0.000 0.229 398 S C 2.032 176.588 174.600 -0.073 0.000 1.030 398 S CA 0.938 59.080 58.200 -0.097 0.000 1.002 398 S CB -0.253 62.895 63.200 -0.086 0.000 0.829 398 S HN 0.461 nan 8.310 nan 0.000 0.467 399 A N 1.571 124.361 122.820 -0.050 0.000 2.076 399 A HA -0.086 4.234 4.320 0.001 0.000 0.220 399 A C 2.197 179.769 177.584 -0.020 0.000 1.160 399 A CA 1.425 53.444 52.037 -0.030 0.000 0.653 399 A CB -0.415 18.576 19.000 -0.016 0.000 0.801 399 A HN 0.479 nan 8.150 nan 0.000 0.455 400 E N -0.265 119.922 120.200 -0.021 0.000 2.250 400 E HA 0.078 4.428 4.350 0.001 0.000 0.192 400 E C 0.372 176.991 176.600 0.032 0.000 0.986 400 E CA 0.145 56.562 56.400 0.029 0.000 0.849 400 E CB -0.123 29.615 29.700 0.063 0.000 0.797 400 E HN 0.679 nan 8.360 nan 0.000 0.482 401 I N 1.231 121.751 120.570 -0.084 0.000 2.406 401 I HA 0.111 4.281 4.170 0.001 0.000 0.293 401 I C 1.041 177.133 176.117 -0.043 0.000 1.101 401 I CA 0.372 61.611 61.300 -0.102 0.000 1.334 401 I CB 0.020 37.905 38.000 -0.191 0.000 1.421 401 I HN 0.121 nan 8.210 nan 0.000 0.513 402 G N 4.890 113.669 108.800 -0.035 0.000 2.131 402 G HA2 -0.276 3.684 3.960 0.001 0.000 0.223 402 G HA3 -0.276 3.684 3.960 0.001 0.000 0.223 402 G C 0.892 175.750 174.900 -0.070 0.000 0.990 402 G CA 0.288 45.343 45.100 -0.074 0.000 0.671 402 G HN 0.704 nan 8.290 nan 0.000 0.521 403 K N -0.408 119.958 120.400 -0.058 0.000 2.076 403 K HA 0.042 4.362 4.320 0.001 0.000 0.204 403 K C 2.068 178.639 176.600 -0.049 0.000 1.051 403 K CA 1.413 57.679 56.287 -0.035 0.000 0.949 403 K CB -0.109 32.391 32.500 0.000 0.000 0.726 403 K HN 0.344 nan 8.250 nan 0.000 0.443 404 N N -0.494 118.154 118.700 -0.087 0.000 2.516 404 N HA 0.043 4.783 4.740 0.001 0.000 0.197 404 N C -0.399 175.040 175.510 -0.118 0.000 1.064 404 N CA 0.389 53.396 53.050 -0.072 0.000 0.866 404 N CB 0.744 39.223 38.487 -0.013 0.000 1.255 404 N HN -0.066 nan 8.380 nan 0.000 0.447 405 K N 1.177 121.408 120.400 -0.282 0.000 2.378 405 K HA 0.383 4.703 4.320 0.001 0.000 0.252 405 K C -0.896 175.550 176.600 -0.256 0.000 0.931 405 K CA -0.268 55.865 56.287 -0.256 0.000 0.794 405 K CB 2.230 34.547 32.500 -0.305 0.000 1.181 405 K HN -0.151 nan 8.250 nan 0.000 0.425 406 T N 4.713 119.184 114.554 -0.138 0.000 2.729 406 T HA 0.294 4.645 4.350 0.001 0.000 0.296 406 T C -2.140 172.496 174.700 -0.108 0.000 0.928 406 T CA -1.160 60.869 62.100 -0.119 0.000 1.045 406 T CB 0.710 69.513 68.868 -0.109 0.000 0.902 406 T HN 0.205 nan 8.240 nan 0.000 0.500 407 P HA 0.321 nan 4.420 nan 0.000 0.274 407 P C 0.249 177.542 177.300 -0.012 0.000 1.256 407 P CA -0.493 62.637 63.100 0.050 0.000 0.795 407 P CB 0.712 32.487 31.700 0.125 0.000 1.038 408 H N -1.646 117.459 119.070 0.057 0.000 2.582 408 H HA 0.272 4.829 4.556 0.001 0.000 0.269 408 H C -0.002 175.362 175.328 0.061 0.000 0.962 408 H CA 0.518 56.593 56.048 0.045 0.000 1.230 408 H CB 0.420 30.205 29.762 0.038 0.000 1.445 408 H HN -0.030 nan 8.280 nan 0.000 0.528 409 V N 0.498 120.534 119.914 0.204 0.000 2.851 409 V HA 0.438 4.558 4.120 0.001 0.000 0.307 409 V C -0.774 175.416 176.094 0.160 0.000 1.129 409 V CA -0.807 61.595 62.300 0.171 0.000 0.932 409 V CB 2.140 34.069 31.823 0.177 0.000 1.024 409 V HN 0.332 nan 8.190 nan 0.000 0.426 410 S N 2.691 118.463 115.700 0.120 0.000 2.595 410 S HA 0.935 5.406 4.470 0.001 0.000 0.281 410 S C -1.379 173.203 174.600 -0.029 0.000 1.117 410 S CA -0.799 57.435 58.200 0.055 0.000 0.873 410 S CB 2.345 65.546 63.200 0.002 0.000 1.108 410 S HN 0.699 nan 8.310 nan 0.000 0.477 411 V N 0.988 120.840 119.914 -0.104 0.000 2.559 411 V HA 0.355 4.476 4.120 0.001 0.000 0.289 411 V C -0.602 175.367 176.094 -0.208 0.000 1.036 411 V CA -0.857 61.321 62.300 -0.204 0.000 0.887 411 V CB 1.124 32.845 31.823 -0.169 0.000 1.022 411 V HN 1.189 nan 8.190 nan 0.000 0.442 412 C N 5.432 124.600 119.300 -0.218 0.000 2.289 412 C HA 0.849 5.309 4.460 0.001 0.000 0.340 412 C C 0.898 175.786 174.990 -0.170 0.000 1.152 412 C CA 0.885 59.791 59.018 -0.187 0.000 1.650 412 C CB -1.602 26.041 27.740 -0.163 0.000 2.203 412 C HN 1.215 nan 8.230 nan 0.000 0.511 413 G N 4.306 113.010 108.800 -0.160 0.000 2.340 413 G HA2 0.289 4.249 3.960 0.001 0.000 0.299 413 G HA3 0.289 4.249 3.960 0.001 0.000 0.299 413 G C -1.783 173.039 174.900 -0.130 0.000 1.291 413 G CA -0.434 44.584 45.100 -0.136 0.000 0.841 413 G HN 0.492 nan 8.290 nan 0.000 0.500 414 D N 0.232 120.567 120.400 -0.110 0.000 2.358 414 D HA 0.196 4.836 4.640 0.001 0.000 0.258 414 D C 1.530 177.748 176.300 -0.137 0.000 1.223 414 D CA 0.040 53.980 54.000 -0.100 0.000 0.886 414 D CB 1.606 42.364 40.800 -0.069 0.000 1.120 414 D HN 0.295 nan 8.370 nan 0.000 0.482 415 V N 5.181 124.999 119.914 -0.159 0.000 2.568 415 V HA -0.197 3.923 4.120 0.001 0.000 0.253 415 V C 2.229 178.198 176.094 -0.208 0.000 1.072 415 V CA 2.086 64.235 62.300 -0.252 0.000 1.084 415 V CB -0.318 31.362 31.823 -0.238 0.000 0.676 415 V HN 0.621 nan 8.190 nan 0.000 0.469 416 K N -0.550 119.781 120.400 -0.115 0.000 2.057 416 K HA -0.130 4.190 4.320 0.001 0.000 0.207 416 K C 2.055 178.614 176.600 -0.068 0.000 1.049 416 K CA 1.833 58.079 56.287 -0.068 0.000 0.931 416 K CB -0.189 32.293 32.500 -0.030 0.000 0.714 416 K HN 0.540 nan 8.250 nan 0.000 0.440 417 L N 0.316 121.494 121.223 -0.075 0.000 2.027 417 L HA -0.103 4.237 4.340 0.001 0.000 0.206 417 L C 2.679 179.502 176.870 -0.078 0.000 1.074 417 L CA 1.116 55.920 54.840 -0.059 0.000 0.745 417 L CB -0.606 41.420 42.059 -0.055 0.000 0.898 417 L HN 0.264 nan 8.230 nan 0.000 0.433 418 A N 0.343 123.079 122.820 -0.140 0.000 1.908 418 A HA -0.193 4.127 4.320 0.001 0.000 0.218 418 A C 2.270 179.757 177.584 -0.162 0.000 1.181 418 A CA 1.530 53.462 52.037 -0.175 0.000 0.627 418 A CB -0.772 18.045 19.000 -0.306 0.000 0.818 418 A HN 0.344 nan 8.150 nan 0.000 0.445 419 L N -1.045 120.052 121.223 -0.210 0.000 2.046 419 L HA -0.279 4.061 4.340 0.001 0.000 0.208 419 L C 2.949 179.844 176.870 0.040 0.000 1.077 419 L CA 1.793 56.552 54.840 -0.134 0.000 0.747 419 L CB -0.572 41.408 42.059 -0.132 0.000 0.896 419 L HN 0.495 nan 8.230 nan 0.000 0.432 420 Q N -0.549 119.262 119.800 0.018 0.000 2.084 420 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 420 Q C 2.278 178.313 176.000 0.059 0.000 0.978 420 Q CA 1.509 57.342 55.803 0.050 0.000 0.844 420 Q CB -0.404 28.350 28.738 0.028 0.000 0.898 420 Q HN 0.615 nan 8.270 nan 0.000 0.426 421 G N 0.704 109.525 108.800 0.036 0.000 2.433 421 G HA2 -0.253 3.707 3.960 0.001 0.000 0.216 421 G HA3 -0.253 3.707 3.960 0.001 0.000 0.216 421 G C 1.373 176.322 174.900 0.082 0.000 1.186 421 G CA 0.814 45.941 45.100 0.045 0.000 0.779 421 G HN 0.196 nan 8.290 nan 0.000 0.543 422 M N 0.646 120.314 119.600 0.114 0.000 2.279 422 M HA -0.046 4.435 4.480 0.001 0.000 0.264 422 M C 2.259 178.688 176.300 0.216 0.000 1.062 422 M CA 0.852 56.272 55.300 0.201 0.000 1.099 422 M CB -0.333 32.471 32.600 0.341 0.000 1.394 422 M HN 0.120 nan 8.290 nan 0.000 0.426 423 N N 0.834 119.663 118.700 0.213 0.000 2.188 423 N HA -0.093 4.647 4.740 0.001 0.000 0.184 423 N C 1.498 177.068 175.510 0.099 0.000 1.018 423 N CA 1.156 54.309 53.050 0.172 0.000 0.858 423 N CB -0.168 38.423 38.487 0.173 0.000 0.989 423 N HN 0.385 nan 8.380 nan 0.000 0.426 424 K N 0.335 120.785 120.400 0.084 0.000 2.026 424 K HA -0.031 4.290 4.320 0.001 0.000 0.208 424 K C 1.985 178.617 176.600 0.053 0.000 1.048 424 K CA 0.915 57.237 56.287 0.059 0.000 0.929 424 K CB -0.284 32.246 32.500 0.050 0.000 0.713 424 K HN -0.055 nan 8.250 nan 0.000 0.439 425 V N 2.131 122.082 119.914 0.062 0.000 2.287 425 V HA -0.260 3.860 4.120 0.001 0.000 0.248 425 V C 2.287 178.407 176.094 0.044 0.000 1.053 425 V CA 1.688 64.020 62.300 0.054 0.000 1.027 425 V CB -0.465 31.398 31.823 0.067 0.000 0.646 425 V HN 0.286 nan 8.190 nan 0.000 0.447 426 L N -0.472 120.781 121.223 0.049 0.000 2.083 426 L HA -0.210 4.131 4.340 0.001 0.000 0.209 426 L C 2.571 179.445 176.870 0.008 0.000 1.083 426 L CA 1.652 56.502 54.840 0.015 0.000 0.752 426 L CB -0.536 41.512 42.059 -0.019 0.000 0.899 426 L HN 0.427 nan 8.230 nan 0.000 0.433 427 E N -0.092 120.120 120.200 0.021 0.000 2.046 427 E HA -0.106 4.244 4.350 0.001 0.000 0.190 427 E C 0.843 177.451 176.600 0.014 0.000 0.982 427 E CA 0.704 57.115 56.400 0.017 0.000 0.800 427 E CB -0.002 29.715 29.700 0.027 0.000 0.756 427 E HN 0.455 nan 8.360 nan 0.000 0.449 428 N N 0.885 119.596 118.700 0.019 0.000 2.484 428 N HA 0.074 4.814 4.740 0.001 0.000 0.245 428 N C 0.309 175.826 175.510 0.012 0.000 1.184 428 N CA 0.306 53.365 53.050 0.015 0.000 0.884 428 N CB 0.627 39.126 38.487 0.019 0.000 1.182 428 N HN 0.074 nan 8.380 nan 0.000 0.493 429 R N -1.187 119.317 120.500 0.007 0.000 2.361 429 R HA 0.147 4.488 4.340 0.001 0.000 0.233 429 R C 0.996 177.292 176.300 -0.007 0.000 0.668 429 R CA 0.110 56.212 56.100 0.003 0.000 0.890 429 R CB 0.004 30.309 30.300 0.008 0.000 1.565 429 R HN 0.115 nan 8.270 nan 0.000 0.480 430 A N 1.536 124.351 122.820 -0.009 0.000 1.892 430 A HA -0.267 4.053 4.320 0.001 0.000 0.218 430 A C 2.136 179.706 177.584 -0.023 0.000 1.188 430 A CA 2.577 54.602 52.037 -0.020 0.000 0.631 430 A CB -0.607 18.383 19.000 -0.016 0.000 0.822 430 A HN 0.489 nan 8.150 nan 0.000 0.447 431 E N 0.628 120.819 120.200 -0.016 0.000 2.049 431 E HA -0.303 4.047 4.350 0.001 0.000 0.198 431 E C 1.753 178.340 176.600 -0.021 0.000 1.007 431 E CA 2.038 58.428 56.400 -0.017 0.000 0.809 431 E CB -1.104 28.590 29.700 -0.011 0.000 0.749 431 E HN 0.984 nan 8.360 nan 0.000 0.450 432 E N -0.095 120.095 120.200 -0.017 0.000 2.285 432 E HA 0.091 4.441 4.350 0.001 0.000 0.194 432 E C 2.312 178.897 176.600 -0.025 0.000 0.997 432 E CA 0.728 57.117 56.400 -0.018 0.000 0.845 432 E CB -0.144 29.550 29.700 -0.011 0.000 0.782 432 E HN 0.498 nan 8.360 nan 0.000 0.491 433 L N 0.888 122.093 121.223 -0.028 0.000 2.044 433 L HA -0.032 4.308 4.340 0.001 0.000 0.205 433 L C 1.607 178.436 176.870 -0.068 0.000 1.075 433 L CA 1.196 56.013 54.840 -0.039 0.000 0.747 433 L CB -0.735 41.304 42.059 -0.033 0.000 0.903 433 L HN 0.288 nan 8.230 nan 0.000 0.435 434 K N 0.965 121.322 120.400 -0.071 0.000 3.419 434 K HA -0.196 4.124 4.320 0.001 0.000 0.272 434 K C -0.204 176.302 176.600 -0.157 0.000 0.973 434 K CA 0.934 57.166 56.287 -0.093 0.000 0.749 434 K CB -3.047 29.406 32.500 -0.077 0.000 1.403 434 K HN 0.323 nan 8.250 nan 0.000 0.456 435 L N 0.870 121.983 121.223 -0.183 0.000 2.410 435 L HA 0.452 4.792 4.340 0.001 0.000 0.273 435 L C 0.482 177.107 176.870 -0.408 0.000 1.144 435 L CA -0.391 54.239 54.840 -0.349 0.000 0.863 435 L CB 1.097 43.016 42.059 -0.233 0.000 1.140 435 L HN 0.611 nan 8.230 nan 0.000 0.463 436 D N 3.249 123.270 120.400 -0.631 0.000 2.375 436 D HA 0.236 4.877 4.640 0.001 0.000 0.241 436 D C -0.539 175.475 176.300 -0.476 0.000 1.361 436 D CA -0.360 53.396 54.000 -0.406 0.000 0.995 436 D CB 0.704 41.379 40.800 -0.209 0.000 1.312 436 D HN 0.234 nan 8.370 nan 0.000 0.576 437 F N 1.634 121.611 119.950 0.046 0.000 2.750 437 F HA 0.323 4.851 4.527 0.001 0.000 0.297 437 F C 2.074 177.947 175.800 0.121 0.000 1.138 437 F CA -0.595 57.465 58.000 0.101 0.000 1.346 437 F CB 1.076 40.161 39.000 0.141 0.000 0.965 437 F HN 0.501 nan 8.300 nan 0.000 0.514 438 G N 0.549 109.451 108.800 0.169 0.000 2.469 438 G HA2 -0.237 3.723 3.960 0.001 0.000 0.219 438 G HA3 -0.237 3.723 3.960 0.001 0.000 0.219 438 G C 1.731 176.712 174.900 0.134 0.000 1.150 438 G CA 1.361 46.534 45.100 0.121 0.000 0.763 438 G HN 0.234 nan 8.290 nan 0.000 0.561 439 V N 0.133 120.139 119.914 0.154 0.000 2.255 439 V HA -0.210 3.910 4.120 0.001 0.000 0.247 439 V C 2.302 178.537 176.094 0.235 0.000 1.051 439 V CA 2.064 64.459 62.300 0.159 0.000 1.018 439 V CB -0.783 31.130 31.823 0.149 0.000 0.641 439 V HN 0.682 nan 8.190 nan 0.000 0.445 440 W N 0.992 122.346 121.300 0.090 0.000 2.335 440 W HA -0.225 4.435 4.660 0.001 0.000 0.311 440 W C 2.746 179.306 176.519 0.068 0.000 1.213 440 W CA 1.769 59.161 57.345 0.078 0.000 1.274 440 W CB -0.224 29.286 29.460 0.083 0.000 1.148 440 W HN 0.141 nan 8.180 nan 0.000 0.498 441 R N 0.214 120.757 120.500 0.071 0.000 2.117 441 R HA -0.233 4.107 4.340 0.001 0.000 0.243 441 R C 1.795 178.016 176.300 -0.132 0.000 1.143 441 R CA 2.344 58.384 56.100 -0.100 0.000 0.968 441 R CB -0.532 29.786 30.300 0.030 0.000 0.863 441 R HN 0.244 nan 8.270 nan 0.000 0.444 442 N N -0.133 118.538 118.700 -0.049 0.000 2.354 442 N HA -0.120 4.620 4.740 0.001 0.000 0.179 442 N C 1.386 176.845 175.510 -0.085 0.000 1.021 442 N CA 0.617 53.633 53.050 -0.056 0.000 0.887 442 N CB 0.090 38.571 38.487 -0.010 0.000 0.974 442 N HN 0.256 nan 8.380 nan 0.000 0.437 443 E N 0.343 120.496 120.200 -0.079 0.000 2.265 443 E HA -0.114 4.236 4.350 0.001 0.000 0.196 443 E C 1.294 177.776 176.600 -0.198 0.000 0.996 443 E CA 0.717 57.074 56.400 -0.071 0.000 0.832 443 E CB 0.109 29.843 29.700 0.056 0.000 0.756 443 E HN 0.382 nan 8.360 nan 0.000 0.491 444 L N 0.266 121.291 121.223 -0.330 0.000 2.221 444 L HA -0.008 4.332 4.340 0.001 0.000 0.202 444 L C 2.088 178.807 176.870 -0.252 0.000 1.074 444 L CA 0.217 54.855 54.840 -0.337 0.000 0.795 444 L CB -0.350 41.428 42.059 -0.469 0.000 0.960 444 L HN 0.042 nan 8.230 nan 0.000 0.458 445 N N 0.485 119.056 118.700 -0.214 0.000 2.348 445 N HA -0.140 4.600 4.740 0.001 0.000 0.185 445 N C 1.810 177.222 175.510 -0.164 0.000 1.019 445 N CA 1.691 54.628 53.050 -0.188 0.000 0.880 445 N CB -0.159 38.250 38.487 -0.130 0.000 0.965 445 N HN 0.350 nan 8.380 nan 0.000 0.437 446 V N -1.350 118.479 119.914 -0.141 0.000 2.488 446 V HA -0.028 4.092 4.120 0.001 0.000 0.246 446 V C 2.185 178.223 176.094 -0.092 0.000 1.046 446 V CA 1.020 63.260 62.300 -0.099 0.000 1.053 446 V CB -0.474 31.304 31.823 -0.075 0.000 0.679 446 V HN 0.021 nan 8.190 nan 0.000 0.458 447 Q N 1.053 120.753 119.800 -0.168 0.000 2.119 447 Q HA -0.165 4.175 4.340 0.001 0.000 0.201 447 Q C 2.291 178.285 176.000 -0.009 0.000 0.972 447 Q CA 2.051 57.768 55.803 -0.143 0.000 0.847 447 Q CB -0.337 28.141 28.738 -0.434 0.000 0.903 447 Q HN 0.756 nan 8.270 nan 0.000 0.433 448 K N 0.551 120.813 120.400 -0.230 0.000 2.211 448 K HA -0.156 4.164 4.320 0.001 0.000 0.203 448 K C 1.964 178.423 176.600 -0.236 0.000 1.050 448 K CA 0.982 56.930 56.287 -0.564 0.000 0.945 448 K CB 0.149 32.183 32.500 -0.777 0.000 0.732 448 K HN 0.143 nan 8.250 nan 0.000 0.451 449 Q N -0.026 119.703 119.800 -0.118 0.000 2.165 449 Q HA -0.101 4.239 4.340 0.001 0.000 0.197 449 Q C 2.122 178.109 176.000 -0.021 0.000 0.952 449 Q CA 1.374 57.138 55.803 -0.066 0.000 0.848 449 Q CB 0.138 28.836 28.738 -0.066 0.000 0.931 449 Q HN 0.229 nan 8.270 nan 0.000 0.470 450 K N 0.039 120.465 120.400 0.043 0.000 2.116 450 K HA -0.019 4.301 4.320 0.001 0.000 0.203 450 K C 0.552 177.065 176.600 -0.145 0.000 1.052 450 K CA 1.068 57.347 56.287 -0.012 0.000 0.952 450 K CB -0.073 32.514 32.500 0.146 0.000 0.729 450 K HN 0.219 nan 8.250 nan 0.000 0.446 451 F N 1.498 121.474 119.950 0.044 0.000 2.530 451 F HA 0.300 4.827 4.527 0.001 0.000 0.318 451 F C -2.408 173.526 175.800 0.224 0.000 1.356 451 F CA -3.320 54.751 58.000 0.119 0.000 1.135 451 F CB 1.324 40.408 39.000 0.140 0.000 1.315 451 F HN 0.019 nan 8.300 nan 0.000 0.549 452 P HA 0.241 nan 4.420 nan 0.000 0.280 452 P C -0.136 177.328 177.300 0.274 0.000 1.272 452 P CA -0.447 62.841 63.100 0.313 0.000 0.819 452 P CB 1.834 33.620 31.700 0.143 0.000 1.122 453 L N 1.034 122.411 121.223 0.256 0.000 2.499 453 L HA 0.175 4.515 4.340 0.001 0.000 0.273 453 L C 1.030 178.089 176.870 0.316 0.000 1.195 453 L CA 0.734 55.702 54.840 0.214 0.000 0.882 453 L CB 0.117 42.160 42.059 -0.028 0.000 1.133 453 L HN 0.581 nan 8.230 nan 0.000 0.483 454 S N 2.778 118.705 115.700 0.379 0.000 2.579 454 S HA 0.830 5.300 4.470 0.001 0.000 0.272 454 S C -0.874 173.947 174.600 0.367 0.000 1.141 454 S CA -0.860 57.514 58.200 0.289 0.000 0.843 454 S CB 2.174 65.427 63.200 0.088 0.000 1.122 454 S HN 0.459 nan 8.310 nan 0.000 0.468 455 F N -0.905 119.091 119.950 0.077 0.000 2.626 455 F HA 0.832 5.359 4.527 0.001 0.000 0.311 455 F C -0.888 174.864 175.800 -0.080 0.000 1.088 455 F CA -1.077 56.907 58.000 -0.027 0.000 0.949 455 F CB 1.540 40.416 39.000 -0.207 0.000 1.322 455 F HN 0.780 nan 8.300 nan 0.000 0.461 456 K N 0.790 121.224 120.400 0.057 0.000 2.207 456 K HA 0.634 4.954 4.320 0.001 0.000 0.255 456 K C -1.316 175.188 176.600 -0.160 0.000 0.941 456 K CA -0.603 55.555 56.287 -0.215 0.000 0.825 456 K CB 2.010 34.321 32.500 -0.315 0.000 1.119 456 K HN 0.878 nan 8.250 nan 0.000 0.430 457 T N 3.892 118.241 114.554 -0.343 0.000 2.771 457 T HA 0.422 4.772 4.350 0.001 0.000 0.281 457 T C -0.996 173.473 174.700 -0.385 0.000 0.982 457 T CA -0.376 61.607 62.100 -0.194 0.000 0.978 457 T CB 0.127 68.895 68.868 -0.167 0.000 0.930 457 T HN 0.263 nan 8.240 nan 0.000 0.447 458 F N 2.529 122.442 119.950 -0.061 0.000 2.375 458 F HA 0.559 5.087 4.527 0.001 0.000 0.361 458 F C 1.370 177.137 175.800 -0.055 0.000 1.117 458 F CA -0.407 57.559 58.000 -0.057 0.000 1.037 458 F CB 0.757 39.726 39.000 -0.052 0.000 1.192 458 F HN 0.894 nan 8.300 nan 0.000 0.452 459 G N 2.830 111.672 108.800 0.069 0.000 2.651 459 G HA2 -0.319 3.642 3.960 0.001 0.000 0.315 459 G HA3 -0.319 3.642 3.960 0.001 0.000 0.315 459 G C 0.898 175.804 174.900 0.010 0.000 1.258 459 G CA 0.486 45.606 45.100 0.034 0.000 1.002 459 G HN 0.516 nan 8.290 nan 0.000 0.551 460 E N 1.698 121.908 120.200 0.017 0.000 2.501 460 E HA 0.497 4.847 4.350 0.001 0.000 0.201 460 E C 1.409 178.017 176.600 0.012 0.000 1.016 460 E CA 0.600 57.001 56.400 0.002 0.000 0.920 460 E CB 0.255 29.957 29.700 0.003 0.000 1.023 460 E HN 0.858 nan 8.360 nan 0.000 0.474 461 A N 1.071 123.913 122.820 0.036 0.000 2.466 461 A HA 0.221 4.542 4.320 0.001 0.000 0.238 461 A C 0.400 177.996 177.584 0.020 0.000 1.074 461 A CA -0.039 52.022 52.037 0.039 0.000 0.774 461 A CB 0.103 19.139 19.000 0.060 0.000 1.015 461 A HN 0.167 nan 8.150 nan 0.000 0.498 462 I N 2.677 123.256 120.570 0.014 0.000 2.325 462 I HA 0.239 4.409 4.170 0.001 0.000 0.291 462 I C -2.233 173.862 176.117 -0.036 0.000 1.019 462 I CA -1.795 59.505 61.300 0.000 0.000 1.302 462 I CB 1.488 39.500 38.000 0.021 0.000 1.401 462 I HN 0.360 nan 8.210 nan 0.000 0.485 463 P HA 0.171 nan 4.420 nan 0.000 0.287 463 P C -1.919 175.174 177.300 -0.345 0.000 1.294 463 P CA -1.543 61.437 63.100 -0.201 0.000 0.776 463 P CB 0.570 32.150 31.700 -0.200 0.000 0.889 464 P HA -0.258 nan 4.420 nan 0.000 0.215 464 P C 1.071 178.022 177.300 -0.581 0.000 1.157 464 P CA 1.828 64.662 63.100 -0.444 0.000 0.874 464 P CB 0.135 31.496 31.700 -0.565 0.000 0.790 465 Q N -1.020 118.142 119.800 -1.064 0.000 2.112 465 Q HA -0.212 4.129 4.340 0.001 0.000 0.206 465 Q C 2.342 177.717 176.000 -1.040 0.000 0.987 465 Q CA 1.611 56.600 55.803 -1.357 0.000 0.858 465 Q CB -1.491 25.886 28.738 -2.268 0.000 0.905 465 Q HN 0.322 nan 8.270 nan 0.000 0.420 466 Y N 0.651 120.265 120.300 -1.142 0.000 2.181 466 Y HA -0.213 4.337 4.550 0.001 0.000 0.288 466 Y C 2.229 177.928 175.900 -0.334 0.000 1.146 466 Y CA 1.315 58.993 58.100 -0.703 0.000 1.164 466 Y CB -0.615 37.551 38.460 -0.490 0.000 0.982 466 Y HN 0.112 nan 8.280 nan 0.000 0.515 467 A N 0.342 123.027 122.820 -0.225 0.000 1.883 467 A HA -0.213 4.108 4.320 0.001 0.000 0.217 467 A C 2.303 179.799 177.584 -0.146 0.000 1.186 467 A CA 2.186 54.131 52.037 -0.154 0.000 0.624 467 A CB -1.186 17.779 19.000 -0.057 0.000 0.822 467 A HN 0.562 nan 8.150 nan 0.000 0.444 468 I N -1.010 119.499 120.570 -0.102 0.000 2.315 468 I HA -0.227 3.943 4.170 0.001 0.000 0.248 468 I C 2.527 178.636 176.117 -0.014 0.000 1.117 468 I CA 1.513 62.840 61.300 0.045 0.000 1.404 468 I CB -0.218 37.886 38.000 0.173 0.000 1.071 468 I HN 0.312 nan 8.210 nan 0.000 0.419 469 K N 0.518 120.821 120.400 -0.161 0.000 2.057 469 K HA -0.148 4.173 4.320 0.001 0.000 0.207 469 K C 2.068 178.509 176.600 -0.264 0.000 1.049 469 K CA 1.268 57.445 56.287 -0.183 0.000 0.931 469 K CB 0.056 32.420 32.500 -0.225 0.000 0.714 469 K HN 0.119 nan 8.250 nan 0.000 0.440 470 V N 1.317 121.008 119.914 -0.372 0.000 2.358 470 V HA -0.232 3.889 4.120 0.001 0.000 0.246 470 V C 2.160 178.154 176.094 -0.167 0.000 1.047 470 V CA 1.306 63.416 62.300 -0.317 0.000 1.035 470 V CB -0.369 31.230 31.823 -0.372 0.000 0.658 470 V HN 0.312 nan 8.190 nan 0.000 0.452 471 L N 0.661 121.829 121.223 -0.092 0.000 2.013 471 L HA -0.227 4.113 4.340 0.001 0.000 0.212 471 L C 2.257 179.123 176.870 -0.006 0.000 1.073 471 L CA 2.457 57.306 54.840 0.015 0.000 0.753 471 L CB -0.881 41.258 42.059 0.135 0.000 0.890 471 L HN 0.408 nan 8.230 nan 0.000 0.432 472 D N -0.408 119.900 120.400 -0.153 0.000 2.108 472 D HA -0.306 4.334 4.640 0.001 0.000 0.190 472 D C 2.047 178.163 176.300 -0.305 0.000 0.995 472 D CA 1.894 55.561 54.000 -0.556 0.000 0.834 472 D CB -0.183 40.187 40.800 -0.717 0.000 0.967 472 D HN 0.601 nan 8.370 nan 0.000 0.446 473 E N -0.214 119.852 120.200 -0.224 0.000 2.065 473 E HA -0.207 4.143 4.350 0.001 0.000 0.201 473 E C 2.524 179.061 176.600 -0.105 0.000 1.016 473 E CA 1.212 57.521 56.400 -0.153 0.000 0.818 473 E CB -0.264 29.355 29.700 -0.134 0.000 0.749 473 E HN 0.349 nan 8.360 nan 0.000 0.453 474 L N 0.189 121.360 121.223 -0.086 0.000 2.275 474 L HA -0.092 4.248 4.340 0.001 0.000 0.215 474 L C 2.426 179.279 176.870 -0.030 0.000 1.119 474 L CA 1.437 56.245 54.840 -0.053 0.000 0.790 474 L CB -0.334 41.696 42.059 -0.048 0.000 0.919 474 L HN 0.322 nan 8.230 nan 0.000 0.443 475 T N -5.932 108.610 114.554 -0.020 0.000 3.069 475 T HA 0.064 4.414 4.350 0.001 0.000 0.252 475 T C 0.682 175.383 174.700 0.002 0.000 1.053 475 T CA 0.113 62.227 62.100 0.023 0.000 0.964 475 T CB 0.054 68.987 68.868 0.108 0.000 1.005 475 T HN 0.192 nan 8.240 nan 0.000 0.532 476 D N 1.530 121.898 120.400 -0.055 0.000 2.772 476 D HA -0.134 4.506 4.640 0.001 0.000 0.233 476 D C 1.143 177.396 176.300 -0.078 0.000 1.143 476 D CA 1.222 55.181 54.000 -0.070 0.000 0.700 476 D CB -1.674 39.106 40.800 -0.032 0.000 1.076 476 D HN 0.892 nan 8.370 nan 0.000 0.430 477 G N 0.255 108.960 108.800 -0.158 0.000 2.361 477 G HA2 -0.392 3.569 3.960 0.001 0.000 0.294 477 G HA3 -0.392 3.569 3.960 0.001 0.000 0.294 477 G C 0.872 175.840 174.900 0.113 0.000 1.004 477 G CA 0.900 45.902 45.100 -0.164 0.000 0.870 477 G HN 0.571 nan 8.290 nan 0.000 0.510 478 K N -0.530 119.954 120.400 0.140 0.000 2.387 478 K HA 0.510 4.830 4.320 0.001 0.000 0.203 478 K C 1.213 177.910 176.600 0.162 0.000 1.030 478 K CA 0.347 56.716 56.287 0.136 0.000 1.099 478 K CB 0.912 33.459 32.500 0.078 0.000 0.863 478 K HN 0.485 nan 8.250 nan 0.000 0.529 479 A N 1.273 124.228 122.820 0.224 0.000 2.302 479 A HA 0.456 4.776 4.320 0.001 0.000 0.285 479 A C -0.095 177.569 177.584 0.135 0.000 1.105 479 A CA -0.523 51.610 52.037 0.161 0.000 0.816 479 A CB 0.295 19.392 19.000 0.163 0.000 1.067 479 A HN 0.196 nan 8.150 nan 0.000 0.489 480 I N 2.413 123.044 120.570 0.101 0.000 2.371 480 I HA 0.180 4.350 4.170 0.001 0.000 0.290 480 I C -0.582 175.578 176.117 0.071 0.000 1.028 480 I CA -0.138 61.221 61.300 0.099 0.000 1.345 480 I CB 0.744 38.783 38.000 0.066 0.000 1.407 480 I HN 0.356 nan 8.210 nan 0.000 0.501 481 I N 5.979 126.614 120.570 0.107 0.000 2.362 481 I HA 0.257 4.427 4.170 0.001 0.000 0.289 481 I C 0.294 176.420 176.117 0.016 0.000 0.994 481 I CA -0.198 61.157 61.300 0.092 0.000 1.158 481 I CB 1.456 39.568 38.000 0.186 0.000 1.315 481 I HN 0.540 nan 8.210 nan 0.000 0.451 482 S N 4.464 120.146 115.700 -0.030 0.000 2.621 482 S HA 0.925 5.395 4.470 0.001 0.000 0.302 482 S C -0.123 174.449 174.600 -0.047 0.000 1.093 482 S CA -0.415 57.716 58.200 -0.115 0.000 1.017 482 S CB 2.546 65.655 63.200 -0.151 0.000 1.077 482 S HN 0.740 nan 8.310 nan 0.000 0.517 483 T N -1.417 113.110 114.554 -0.044 0.000 2.787 483 T HA 0.798 5.148 4.350 0.001 0.000 0.297 483 T C 0.397 175.208 174.700 0.184 0.000 1.221 483 T CA -0.354 61.807 62.100 0.101 0.000 1.006 483 T CB 0.954 69.865 68.868 0.072 0.000 1.328 483 T HN 1.026 nan 8.240 nan 0.000 0.509 484 G N -0.374 108.675 108.800 0.416 0.000 2.695 484 G HA2 0.636 4.597 3.960 0.001 0.000 0.213 484 G HA3 0.636 4.597 3.960 0.001 0.000 0.213 484 G C -1.001 173.939 174.900 0.067 0.000 1.406 484 G CA -0.687 44.607 45.100 0.324 0.000 1.049 484 G HN 0.892 nan 8.290 nan 0.000 0.573 485 V N -0.459 119.482 119.914 0.044 0.000 2.680 485 V HA 0.849 4.970 4.120 0.001 0.000 0.309 485 V C 0.764 176.766 176.094 -0.154 0.000 1.052 485 V CA 0.759 62.978 62.300 -0.134 0.000 0.908 485 V CB 0.863 32.627 31.823 -0.100 0.000 1.001 485 V HN 1.818 nan 8.190 nan 0.000 0.431 486 G N 3.142 111.792 108.800 -0.250 0.000 2.265 486 G HA2 -0.081 3.879 3.960 0.001 0.000 0.246 486 G HA3 -0.081 3.879 3.960 0.001 0.000 0.246 486 G C 0.143 174.834 174.900 -0.349 0.000 1.299 486 G CA 0.172 45.153 45.100 -0.199 0.000 1.117 486 G HN 0.483 nan 8.290 nan 0.000 0.485 487 Q N -0.666 118.931 119.800 -0.339 0.000 2.050 487 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 487 Q C 2.274 177.782 176.000 -0.820 0.000 0.980 487 Q CA 2.444 57.797 55.803 -0.750 0.000 0.840 487 Q CB -0.307 27.949 28.738 -0.803 0.000 0.898 487 Q HN 0.875 nan 8.270 nan 0.000 0.424 488 H N -0.122 118.812 119.070 -0.227 0.000 2.387 488 H HA -0.156 4.400 4.556 0.001 0.000 0.299 488 H C 1.999 177.409 175.328 0.137 0.000 1.099 488 H CA 1.611 57.751 56.048 0.155 0.000 1.315 488 H CB -0.310 29.582 29.762 0.217 0.000 1.380 488 H HN 0.247 nan 8.280 nan 0.000 0.513 489 Q N -0.011 119.398 119.800 -0.653 0.000 2.050 489 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 489 Q C 1.848 177.850 176.000 0.003 0.000 0.980 489 Q CA 1.800 57.442 55.803 -0.267 0.000 0.840 489 Q CB 0.061 28.582 28.738 -0.363 0.000 0.898 489 Q HN 0.464 nan 8.270 nan 0.000 0.424 490 M N -0.607 118.875 119.600 -0.197 0.000 2.086 490 M HA -0.195 4.285 4.480 0.001 0.000 0.261 490 M C 1.880 178.194 176.300 0.023 0.000 1.067 490 M CA 1.247 56.448 55.300 -0.164 0.000 1.116 490 M CB -1.425 30.913 32.600 -0.438 0.000 1.348 490 M HN 0.400 nan 8.290 nan 0.000 0.407 491 W N 0.534 121.937 121.300 0.172 0.000 2.358 491 W HA -0.005 4.655 4.660 0.001 0.000 0.303 491 W C 2.709 179.422 176.519 0.323 0.000 1.208 491 W CA 1.400 58.939 57.345 0.323 0.000 1.274 491 W CB -1.547 28.067 29.460 0.256 0.000 1.138 491 W HN 0.314 nan 8.180 nan 0.000 0.515 492 A N 0.572 123.685 122.820 0.489 0.000 1.978 492 A HA -0.048 4.272 4.320 0.001 0.000 0.220 492 A C 2.249 180.007 177.584 0.290 0.000 1.170 492 A CA 2.728 55.039 52.037 0.457 0.000 0.636 492 A CB -0.911 18.420 19.000 0.552 0.000 0.810 492 A HN 0.148 nan 8.150 nan 0.000 0.448 493 A N -1.036 121.832 122.820 0.081 0.000 1.898 493 A HA -0.090 4.231 4.320 0.001 0.000 0.214 493 A C 2.126 179.663 177.584 -0.077 0.000 1.183 493 A CA 1.376 53.237 52.037 -0.293 0.000 0.622 493 A CB -0.398 18.414 19.000 -0.314 0.000 0.824 493 A HN 0.625 nan 8.150 nan 0.000 0.444 494 Q N -1.442 118.358 119.800 -0.001 0.000 2.049 494 Q HA -0.020 4.321 4.340 0.001 0.000 0.198 494 Q C 0.549 176.304 176.000 -0.409 0.000 0.971 494 Q CA 1.236 56.900 55.803 -0.231 0.000 0.833 494 Q CB -0.116 28.432 28.738 -0.318 0.000 0.896 494 Q HN 0.716 nan 8.270 nan 0.000 0.434 495 F N -0.840 119.180 119.950 0.117 0.000 2.730 495 F HA 0.227 4.754 4.527 0.001 0.000 0.295 495 F C -0.332 175.489 175.800 0.036 0.000 1.143 495 F CA -0.351 57.682 58.000 0.055 0.000 1.367 495 F CB 0.257 39.272 39.000 0.025 0.000 0.970 495 F HN -0.029 nan 8.300 nan 0.000 0.514 496 Y N 0.657 120.946 120.300 -0.019 0.000 2.421 496 Y HA 0.420 4.971 4.550 0.001 0.000 0.339 496 Y C -0.707 174.942 175.900 -0.418 0.000 0.996 496 Y CA -1.225 56.750 58.100 -0.209 0.000 1.046 496 Y CB 1.000 39.317 38.460 -0.239 0.000 1.226 496 Y HN -0.132 nan 8.280 nan 0.000 0.445 497 N N 5.813 124.258 118.700 -0.424 0.000 2.439 497 N HA 0.140 4.881 4.740 0.001 0.000 0.249 497 N C -1.611 173.750 175.510 -0.249 0.000 1.003 497 N CA -0.222 52.683 53.050 -0.241 0.000 0.942 497 N CB 0.712 39.102 38.487 -0.162 0.000 1.115 497 N HN 0.536 nan 8.380 nan 0.000 0.505 498 Y N 1.460 121.878 120.300 0.196 0.000 2.335 498 Y HA 0.139 4.690 4.550 0.001 0.000 0.331 498 Y C 1.771 177.733 175.900 0.104 0.000 1.094 498 Y CA -0.331 57.887 58.100 0.197 0.000 1.253 498 Y CB 1.097 39.637 38.460 0.132 0.000 1.203 498 Y HN 0.208 nan 8.280 nan 0.000 0.508 499 K N 1.783 122.294 120.400 0.186 0.000 2.211 499 K HA 0.129 4.449 4.320 0.001 0.000 0.201 499 K C 0.176 176.842 176.600 0.110 0.000 1.052 499 K CA 0.793 57.138 56.287 0.098 0.000 0.973 499 K CB 0.272 32.813 32.500 0.067 0.000 0.766 499 K HN 0.509 nan 8.250 nan 0.000 0.466 500 K N 0.260 120.758 120.400 0.164 0.000 2.466 500 K HA 0.455 4.775 4.320 0.001 0.000 0.260 500 K C -2.777 173.922 176.600 0.165 0.000 1.011 500 K CA -2.251 54.120 56.287 0.140 0.000 0.871 500 K CB 1.484 34.051 32.500 0.113 0.000 1.404 500 K HN -0.255 nan 8.250 nan 0.000 0.450 501 P HA 0.323 nan 4.420 nan 0.000 0.276 501 P C -0.710 176.658 177.300 0.114 0.000 1.252 501 P CA -0.195 62.979 63.100 0.123 0.000 0.802 501 P CB 0.454 32.215 31.700 0.101 0.000 1.035 502 R N -0.889 119.674 120.500 0.105 0.000 3.878 502 R HA -0.235 4.106 4.340 0.001 0.000 0.330 502 R C 0.909 177.268 176.300 0.099 0.000 1.186 502 R CA 0.676 56.825 56.100 0.081 0.000 0.885 502 R CB -2.087 28.247 30.300 0.057 0.000 1.377 502 R HN 0.591 nan 8.270 nan 0.000 0.523 503 Q N -0.532 119.363 119.800 0.157 0.000 2.378 503 Q HA 0.067 4.407 4.340 0.001 0.000 0.229 503 Q C -0.030 176.111 176.000 0.235 0.000 0.882 503 Q CA 0.022 55.956 55.803 0.218 0.000 0.936 503 Q CB 0.566 29.511 28.738 0.344 0.000 1.092 503 Q HN 0.424 nan 8.270 nan 0.000 0.535 504 W N 2.060 123.280 121.300 -0.134 0.000 2.314 504 W HA 0.433 5.094 4.660 0.001 0.000 0.310 504 W C -1.816 174.631 176.519 -0.121 0.000 1.075 504 W CA -0.453 56.712 57.345 -0.301 0.000 1.253 504 W CB 0.464 29.530 29.460 -0.656 0.000 1.238 504 W HN -0.051 nan 8.180 nan 0.000 0.440 505 L N 6.865 127.789 121.223 -0.497 0.000 2.366 505 L HA 0.346 4.687 4.340 0.001 0.000 0.266 505 L C -0.079 176.468 176.870 -0.538 0.000 1.010 505 L CA -0.325 54.288 54.840 -0.378 0.000 0.879 505 L CB 1.157 43.142 42.059 -0.124 0.000 1.228 505 L HN 0.263 nan 8.230 nan 0.000 0.439 506 S N 1.116 116.345 115.700 -0.784 0.000 2.536 506 S HA 0.382 4.852 4.470 0.001 0.000 0.271 506 S C -0.691 173.434 174.600 -0.792 0.000 1.134 506 S CA -0.405 57.317 58.200 -0.796 0.000 0.897 506 S CB 2.241 64.728 63.200 -1.188 0.000 1.094 506 S HN 0.478 nan 8.310 nan 0.000 0.473 507 S N 2.927 118.015 115.700 -1.021 0.000 2.405 507 S HA 0.459 4.929 4.470 0.001 0.000 0.291 507 S C 1.055 175.395 174.600 -0.433 0.000 1.137 507 S CA 0.129 57.801 58.200 -0.878 0.000 1.061 507 S CB -0.074 62.525 63.200 -1.002 0.000 1.001 507 S HN 0.875 nan 8.310 nan 0.000 0.507 508 G N 3.908 112.533 108.800 -0.291 0.000 2.641 508 G HA2 0.200 4.161 3.960 0.001 0.000 0.207 508 G HA3 0.200 4.161 3.960 0.001 0.000 0.207 508 G C 1.203 176.036 174.900 -0.112 0.000 1.137 508 G CA 0.401 45.414 45.100 -0.146 0.000 0.824 508 G HN 0.779 nan 8.290 nan 0.000 0.547 509 G N 0.996 109.728 108.800 -0.114 0.000 2.424 509 G HA2 -0.051 3.909 3.960 0.001 0.000 0.214 509 G HA3 -0.051 3.909 3.960 0.001 0.000 0.214 509 G C 1.683 176.532 174.900 -0.086 0.000 1.202 509 G CA 1.083 46.135 45.100 -0.079 0.000 0.793 509 G HN 0.343 nan 8.290 nan 0.000 0.534 510 L N 0.766 121.925 121.223 -0.107 0.000 2.209 510 L HA 0.360 4.700 4.340 0.001 0.000 0.207 510 L C 1.786 178.587 176.870 -0.114 0.000 1.094 510 L CA 1.530 56.315 54.840 -0.092 0.000 0.790 510 L CB -0.388 41.626 42.059 -0.074 0.000 0.932 510 L HN 0.478 nan 8.230 nan 0.000 0.447 511 G N 0.379 109.077 108.800 -0.170 0.000 2.351 511 G HA2 -0.168 3.792 3.960 0.001 0.000 0.297 511 G HA3 -0.168 3.792 3.960 0.001 0.000 0.297 511 G C 0.304 175.110 174.900 -0.156 0.000 1.054 511 G CA 0.238 45.229 45.100 -0.181 0.000 1.123 511 G HN 0.840 nan 8.290 nan 0.000 0.512 512 A N 1.380 124.085 122.820 -0.191 0.000 2.354 512 A HA 0.742 5.062 4.320 0.001 0.000 0.281 512 A C 0.866 178.388 177.584 -0.103 0.000 1.174 512 A CA -0.085 51.893 52.037 -0.099 0.000 0.828 512 A CB 0.330 19.332 19.000 0.004 0.000 1.099 512 A HN 0.656 nan 8.150 nan 0.000 0.516 513 M N 1.853 121.439 119.600 -0.024 0.000 2.245 513 M HA 0.351 4.831 4.480 0.001 0.000 0.330 513 M C 1.420 177.742 176.300 0.037 0.000 1.098 513 M CA 1.799 57.104 55.300 0.008 0.000 1.172 513 M CB 0.469 33.081 32.600 0.022 0.000 1.467 513 M HN 1.302 nan 8.290 nan 0.000 0.454 514 G N 1.645 110.463 108.800 0.029 0.000 2.143 514 G HA2 -0.299 3.662 3.960 0.001 0.000 0.249 514 G HA3 -0.299 3.662 3.960 0.001 0.000 0.249 514 G C 0.279 175.170 174.900 -0.015 0.000 0.981 514 G CA 0.427 45.544 45.100 0.028 0.000 0.665 514 G HN 0.785 nan 8.290 nan 0.000 0.528 515 F N 1.670 121.377 119.950 -0.404 0.000 2.270 515 F HA 0.292 4.819 4.527 0.001 0.000 0.295 515 F C 2.300 177.883 175.800 -0.362 0.000 1.087 515 F CA 1.988 59.522 58.000 -0.777 0.000 1.365 515 F CB -0.407 38.075 39.000 -0.862 0.000 1.056 515 F HN 0.134 nan 8.300 nan 0.000 0.506 516 G N 1.411 110.133 108.800 -0.131 0.000 2.586 516 G HA2 -0.350 3.610 3.960 0.001 0.000 0.218 516 G HA3 -0.350 3.610 3.960 0.001 0.000 0.218 516 G C 1.585 176.382 174.900 -0.172 0.000 1.216 516 G CA 1.336 46.363 45.100 -0.122 0.000 0.786 516 G HN 0.411 nan 8.290 nan 0.000 0.583 517 L N 1.983 123.150 121.223 -0.093 0.000 1.994 517 L HA 0.071 4.411 4.340 0.001 0.000 0.208 517 L C 0.152 176.943 176.870 -0.131 0.000 1.071 517 L CA 2.000 56.801 54.840 -0.066 0.000 0.745 517 L CB -1.065 40.948 42.059 -0.077 0.000 0.892 517 L HN 0.141 nan 8.230 nan 0.000 0.431 518 P HA -0.142 nan 4.420 nan 0.000 0.215 518 P C 1.526 178.658 177.300 -0.280 0.000 1.153 518 P CA 1.971 64.975 63.100 -0.159 0.000 0.853 518 P CB -0.210 31.462 31.700 -0.046 0.000 0.788 519 A N 0.081 122.592 122.820 -0.516 0.000 1.933 519 A HA -0.127 4.193 4.320 0.001 0.000 0.218 519 A C 2.329 179.723 177.584 -0.317 0.000 1.175 519 A CA 2.106 53.765 52.037 -0.630 0.000 0.628 519 A CB -1.618 16.607 19.000 -1.292 0.000 0.814 519 A HN 0.202 nan 8.150 nan 0.000 0.444 520 A N -0.131 122.553 122.820 -0.227 0.000 1.933 520 A HA -0.052 4.268 4.320 0.001 0.000 0.218 520 A C 2.098 179.660 177.584 -0.038 0.000 1.175 520 A CA 1.401 53.380 52.037 -0.097 0.000 0.628 520 A CB -0.561 18.411 19.000 -0.047 0.000 0.814 520 A HN 0.508 nan 8.150 nan 0.000 0.444 521 I N -0.383 120.161 120.570 -0.043 0.000 2.142 521 I HA -0.230 3.940 4.170 0.001 0.000 0.240 521 I C 2.739 178.917 176.117 0.102 0.000 1.078 521 I CA 1.292 62.615 61.300 0.037 0.000 1.343 521 I CB -0.694 37.328 38.000 0.036 0.000 1.046 521 I HN 0.405 nan 8.210 nan 0.000 0.405 522 G N 0.345 109.145 108.800 -0.001 0.000 2.418 522 G HA2 -0.237 3.723 3.960 0.001 0.000 0.217 522 G HA3 -0.237 3.723 3.960 0.001 0.000 0.217 522 G C 1.865 176.885 174.900 0.200 0.000 1.158 522 G CA 0.839 46.020 45.100 0.135 0.000 0.771 522 G HN 0.497 nan 8.290 nan 0.000 0.545 523 A N 0.595 123.443 122.820 0.048 0.000 1.883 523 A HA -0.073 4.248 4.320 0.001 0.000 0.217 523 A C 2.652 180.260 177.584 0.041 0.000 1.186 523 A CA 2.461 54.507 52.037 0.015 0.000 0.624 523 A CB -0.941 18.048 19.000 -0.018 0.000 0.822 523 A HN 0.429 nan 8.150 nan 0.000 0.444 524 S N -0.772 114.968 115.700 0.067 0.000 2.368 524 S HA -0.126 4.344 4.470 0.001 0.000 0.225 524 S C 1.883 176.545 174.600 0.104 0.000 1.030 524 S CA 1.600 59.846 58.200 0.076 0.000 0.999 524 S CB -0.477 62.771 63.200 0.079 0.000 0.844 524 S HN 0.305 nan 8.310 nan 0.000 0.459 525 V N 1.769 121.789 119.914 0.177 0.000 2.490 525 V HA -0.088 4.032 4.120 0.001 0.000 0.250 525 V C 2.655 178.860 176.094 0.185 0.000 1.061 525 V CA 1.686 64.119 62.300 0.221 0.000 1.064 525 V CB -1.075 30.969 31.823 0.367 0.000 0.670 525 V HN 0.601 nan 8.190 nan 0.000 0.461 526 A N -0.321 122.553 122.820 0.089 0.000 2.072 526 A HA 0.031 4.351 4.320 0.001 0.000 0.216 526 A C 1.066 178.602 177.584 -0.080 0.000 1.156 526 A CA 0.730 52.667 52.037 -0.166 0.000 0.701 526 A CB -0.086 18.592 19.000 -0.537 0.000 0.816 526 A HN 0.600 nan 8.150 nan 0.000 0.458 527 N N -0.439 118.253 118.700 -0.014 0.000 2.733 527 N HA 0.187 4.928 4.740 0.001 0.000 0.271 527 N C -2.586 172.942 175.510 0.030 0.000 1.720 527 N CA -0.933 52.119 53.050 0.003 0.000 0.803 527 N CB 1.098 39.587 38.487 0.002 0.000 1.208 527 N HN 0.019 nan 8.380 nan 0.000 0.498 528 P HA -0.128 nan 4.420 nan 0.000 0.217 528 P C 0.451 177.775 177.300 0.039 0.000 1.148 528 P CA 1.403 64.530 63.100 0.044 0.000 0.834 528 P CB 0.341 32.067 31.700 0.043 0.000 0.783 529 D N -1.674 118.746 120.400 0.034 0.000 2.340 529 D HA 0.199 4.839 4.640 0.001 0.000 0.217 529 D C 0.806 177.128 176.300 0.036 0.000 1.081 529 D CA 0.121 54.140 54.000 0.033 0.000 0.842 529 D CB 0.125 40.942 40.800 0.029 0.000 0.934 529 D HN 0.129 nan 8.370 nan 0.000 0.511 530 A N 0.538 123.381 122.820 0.038 0.000 2.264 530 A HA 0.559 4.879 4.320 0.001 0.000 0.304 530 A C 0.126 177.740 177.584 0.048 0.000 1.100 530 A CA -0.519 51.544 52.037 0.044 0.000 0.839 530 A CB 0.791 19.817 19.000 0.044 0.000 1.121 530 A HN 0.069 nan 8.150 nan 0.000 0.496 531 I N 1.545 122.149 120.570 0.055 0.000 2.337 531 I HA 0.239 4.409 4.170 0.001 0.000 0.291 531 I C -0.790 175.364 176.117 0.061 0.000 1.046 531 I CA -0.158 61.177 61.300 0.058 0.000 1.324 531 I CB 1.043 39.081 38.000 0.064 0.000 1.409 531 I HN 0.205 nan 8.210 nan 0.000 0.494 532 V N 7.825 127.773 119.914 0.056 0.000 2.384 532 V HA 0.409 4.529 4.120 0.001 0.000 0.287 532 V C -0.075 176.051 176.094 0.054 0.000 1.020 532 V CA -0.606 61.724 62.300 0.051 0.000 0.850 532 V CB 1.854 33.703 31.823 0.044 0.000 0.987 532 V HN 0.385 nan 8.190 nan 0.000 0.436 533 V N 3.505 123.450 119.914 0.051 0.000 2.531 533 V HA 0.410 4.530 4.120 0.001 0.000 0.301 533 V C -0.704 175.422 176.094 0.053 0.000 1.034 533 V CA -0.627 61.707 62.300 0.058 0.000 0.865 533 V CB 2.128 33.990 31.823 0.066 0.000 0.995 533 V HN 0.950 nan 8.190 nan 0.000 0.424 534 D N 4.730 125.165 120.400 0.058 0.000 2.396 534 D HA 0.351 4.992 4.640 0.001 0.000 0.225 534 D C -0.235 176.112 176.300 0.079 0.000 1.121 534 D CA -0.171 53.864 54.000 0.059 0.000 0.853 534 D CB 0.776 41.614 40.800 0.064 0.000 1.043 534 D HN 0.477 nan 8.370 nan 0.000 0.500 535 I N 3.987 124.629 120.570 0.120 0.000 2.278 535 I HA 0.177 4.347 4.170 0.001 0.000 0.296 535 I C 0.466 176.687 176.117 0.174 0.000 1.121 535 I CA -0.303 61.094 61.300 0.161 0.000 1.267 535 I CB 0.363 38.516 38.000 0.254 0.000 1.447 535 I HN 0.329 nan 8.210 nan 0.000 0.509 536 D N 4.027 124.416 120.400 -0.018 0.000 2.442 536 D HA 0.582 5.223 4.640 0.001 0.000 0.254 536 D C -0.051 175.820 176.300 -0.716 0.000 1.069 536 D CA -0.214 53.634 54.000 -0.253 0.000 1.017 536 D CB 2.353 43.154 40.800 0.003 0.000 1.172 536 D HN 0.468 nan 8.370 nan 0.000 0.561 537 G N -0.543 107.724 108.800 -0.889 0.000 2.441 537 G HA2 0.245 4.206 3.960 0.001 0.000 0.334 537 G HA3 0.245 4.206 3.960 0.001 0.000 0.334 537 G C 0.688 175.526 174.900 -0.104 0.000 1.161 537 G CA -0.467 44.327 45.100 -0.511 0.000 0.935 537 G HN 0.516 nan 8.290 nan 0.000 0.488 538 D N 0.119 120.512 120.400 -0.012 0.000 2.219 538 D HA -0.073 4.567 4.640 0.001 0.000 0.205 538 D C 1.903 178.247 176.300 0.073 0.000 0.970 538 D CA 1.131 55.159 54.000 0.047 0.000 0.851 538 D CB -0.284 40.538 40.800 0.038 0.000 0.943 538 D HN 0.467 nan 8.370 nan 0.000 0.488 539 G N 0.500 109.336 108.800 0.060 0.000 2.411 539 G HA2 -0.152 3.809 3.960 0.001 0.000 0.213 539 G HA3 -0.152 3.809 3.960 0.001 0.000 0.213 539 G C 1.824 176.748 174.900 0.041 0.000 1.166 539 G CA 0.628 45.756 45.100 0.046 0.000 0.802 539 G HN 0.310 nan 8.290 nan 0.000 0.533 540 S N 0.378 116.120 115.700 0.069 0.000 2.371 540 S HA -0.032 4.438 4.470 0.001 0.000 0.224 540 S C 1.875 176.497 174.600 0.036 0.000 1.029 540 S CA 0.755 58.994 58.200 0.064 0.000 0.978 540 S CB -0.352 62.928 63.200 0.134 0.000 0.833 540 S HN 0.354 nan 8.310 nan 0.000 0.466 541 F N 2.213 122.111 119.950 -0.087 0.000 2.095 541 F HA -0.075 4.452 4.527 0.001 0.000 0.298 541 F C 1.939 177.648 175.800 -0.152 0.000 1.104 541 F CA 1.158 59.092 58.000 -0.110 0.000 1.232 541 F CB -0.380 38.555 39.000 -0.109 0.000 0.987 541 F HN 0.129 nan 8.300 nan 0.000 0.475 542 I N -0.267 120.213 120.570 -0.150 0.000 2.454 542 I HA -0.329 3.841 4.170 0.001 0.000 0.254 542 I C 2.162 178.074 176.117 -0.343 0.000 1.156 542 I CA 1.057 62.157 61.300 -0.333 0.000 1.433 542 I CB -0.130 37.773 38.000 -0.161 0.000 1.082 542 I HN 0.265 nan 8.210 nan 0.000 0.432 543 M N -0.006 119.458 119.600 -0.226 0.000 2.108 543 M HA -0.216 4.264 4.480 0.001 0.000 0.261 543 M C 0.634 176.782 176.300 -0.253 0.000 1.066 543 M CA 1.585 56.769 55.300 -0.192 0.000 1.107 543 M CB -0.289 32.247 32.600 -0.107 0.000 1.356 543 M HN 0.200 nan 8.290 nan 0.000 0.406 544 N N -0.080 118.443 118.700 -0.296 0.000 2.480 544 N HA 0.117 4.857 4.740 0.001 0.000 0.281 544 N C 0.609 175.873 175.510 -0.409 0.000 1.381 544 N CA 0.062 52.934 53.050 -0.297 0.000 0.903 544 N CB 1.025 39.403 38.487 -0.181 0.000 1.274 544 N HN 0.046 nan 8.380 nan 0.000 0.505 545 V N 1.435 121.011 119.914 -0.563 0.000 2.867 545 V HA -0.180 3.940 4.120 0.001 0.000 0.260 545 V C 2.394 178.231 176.094 -0.428 0.000 1.099 545 V CA 1.618 63.477 62.300 -0.736 0.000 1.122 545 V CB -0.124 31.113 31.823 -0.976 0.000 0.708 545 V HN 0.429 nan 8.190 nan 0.000 0.490 546 Q N -0.584 119.042 119.800 -0.290 0.000 2.364 546 Q HA -0.170 4.170 4.340 0.001 0.000 0.207 546 Q C 1.420 177.362 176.000 -0.096 0.000 0.970 546 Q CA 1.365 57.078 55.803 -0.150 0.000 0.888 546 Q CB -0.482 28.203 28.738 -0.088 0.000 0.951 546 Q HN 0.595 nan 8.270 nan 0.000 0.469 547 E N 1.014 121.139 120.200 -0.126 0.000 2.516 547 E HA 0.054 4.404 4.350 0.001 0.000 0.199 547 E C 2.012 178.590 176.600 -0.037 0.000 1.069 547 E CA 0.127 56.490 56.400 -0.062 0.000 0.876 547 E CB -0.170 29.486 29.700 -0.073 0.000 0.843 547 E HN 0.434 nan 8.360 nan 0.000 0.530 548 L N 0.151 121.338 121.223 -0.060 0.000 2.131 548 L HA -0.140 4.200 4.340 0.001 0.000 0.210 548 L C 2.376 179.261 176.870 0.025 0.000 1.092 548 L CA 1.068 55.908 54.840 0.001 0.000 0.759 548 L CB -0.469 41.601 42.059 0.017 0.000 0.903 548 L HN 0.079 nan 8.230 nan 0.000 0.435 549 A N -0.375 122.455 122.820 0.018 0.000 1.933 549 A HA -0.186 4.135 4.320 0.001 0.000 0.218 549 A C 2.356 179.965 177.584 0.042 0.000 1.175 549 A CA 2.229 54.285 52.037 0.033 0.000 0.628 549 A CB -0.810 18.210 19.000 0.033 0.000 0.814 549 A HN 0.361 nan 8.150 nan 0.000 0.444 550 T N 0.507 115.088 114.554 0.046 0.000 2.708 550 T HA -0.125 4.225 4.350 0.001 0.000 0.266 550 T C 1.807 176.546 174.700 0.065 0.000 1.037 550 T CA 1.572 63.711 62.100 0.065 0.000 1.146 550 T CB -0.451 68.465 68.868 0.080 0.000 0.865 550 T HN 0.429 nan 8.240 nan 0.000 0.435 551 I N 0.902 121.507 120.570 0.059 0.000 2.151 551 I HA -0.238 3.932 4.170 0.001 0.000 0.243 551 I C 2.818 178.970 176.117 0.059 0.000 1.080 551 I CA 1.331 62.669 61.300 0.064 0.000 1.339 551 I CB -0.335 37.703 38.000 0.063 0.000 1.039 551 I HN 0.099 nan 8.210 nan 0.000 0.409 552 R N 1.304 121.835 120.500 0.052 0.000 2.070 552 R HA -0.115 4.225 4.340 0.001 0.000 0.233 552 R C 2.033 178.358 176.300 0.042 0.000 1.137 552 R CA 1.876 58.004 56.100 0.046 0.000 0.945 552 R CB -1.173 29.151 30.300 0.040 0.000 0.845 552 R HN 0.183 nan 8.270 nan 0.000 0.430 553 V N 1.503 121.441 119.914 0.041 0.000 2.407 553 V HA -0.143 3.978 4.120 0.001 0.000 0.248 553 V C 1.756 177.872 176.094 0.037 0.000 1.055 553 V CA 2.053 64.374 62.300 0.035 0.000 1.049 553 V CB -0.474 31.368 31.823 0.033 0.000 0.662 553 V HN 0.347 nan 8.190 nan 0.000 0.455 554 E N -0.658 119.571 120.200 0.047 0.000 2.489 554 E HA 0.029 4.380 4.350 0.001 0.000 0.193 554 E C 0.396 177.027 176.600 0.051 0.000 1.057 554 E CA -0.140 56.290 56.400 0.050 0.000 0.866 554 E CB -0.275 29.467 29.700 0.069 0.000 0.916 554 E HN 0.579 nan 8.360 nan 0.000 0.500 555 N N 0.892 119.622 118.700 0.050 0.000 2.725 555 N HA -0.197 4.543 4.740 0.001 0.000 0.251 555 N C -0.715 174.829 175.510 0.058 0.000 1.031 555 N CA 0.569 53.648 53.050 0.050 0.000 0.720 555 N CB -1.447 37.065 38.487 0.042 0.000 0.930 555 N HN 0.228 nan 8.380 nan 0.000 0.543 556 L N 1.161 122.424 121.223 0.066 0.000 2.292 556 L HA 0.298 4.638 4.340 0.001 0.000 0.284 556 L C -1.156 175.758 176.870 0.072 0.000 1.065 556 L CA -1.536 53.348 54.840 0.072 0.000 0.806 556 L CB 0.899 43.008 42.059 0.083 0.000 1.175 556 L HN -0.110 nan 8.230 nan 0.000 0.431 557 P HA 0.015 nan 4.420 nan 0.000 0.261 557 P C -0.067 177.281 177.300 0.079 0.000 1.650 557 P CA -0.015 63.129 63.100 0.074 0.000 0.846 557 P CB -0.127 31.611 31.700 0.063 0.000 1.758 558 V N 2.333 122.296 119.914 0.083 0.000 2.479 558 V HA 0.032 4.152 4.120 0.001 0.000 0.281 558 V C 0.990 177.147 176.094 0.105 0.000 1.031 558 V CA 0.346 62.696 62.300 0.083 0.000 1.038 558 V CB 0.149 32.018 31.823 0.076 0.000 0.981 558 V HN 0.154 nan 8.190 nan 0.000 0.478 559 K N 4.332 124.792 120.400 0.099 0.000 2.138 559 K HA 0.605 4.925 4.320 0.001 0.000 0.263 559 K C -0.817 175.845 176.600 0.103 0.000 0.965 559 K CA -0.597 55.762 56.287 0.120 0.000 0.868 559 K CB 2.094 34.647 32.500 0.089 0.000 1.083 559 K HN 0.379 nan 8.250 nan 0.000 0.443 560 V N 3.614 123.593 119.914 0.109 0.000 2.376 560 V HA 0.210 4.330 4.120 0.001 0.000 0.287 560 V C -0.571 175.531 176.094 0.014 0.000 1.015 560 V CA -0.945 61.385 62.300 0.050 0.000 0.834 560 V CB 1.345 33.174 31.823 0.009 0.000 1.001 560 V HN 0.517 nan 8.190 nan 0.000 0.428 561 L N 6.660 127.894 121.223 0.017 0.000 2.315 561 L HA 0.514 4.854 4.340 0.001 0.000 0.278 561 L C -0.465 176.382 176.870 -0.037 0.000 1.088 561 L CA -0.210 54.639 54.840 0.014 0.000 0.899 561 L CB 0.835 42.927 42.059 0.056 0.000 1.277 561 L HN 0.629 nan 8.230 nan 0.000 0.431 562 L N 5.741 126.894 121.223 -0.118 0.000 2.295 562 L HA 0.336 4.676 4.340 0.001 0.000 0.288 562 L C -0.608 176.209 176.870 -0.089 0.000 1.079 562 L CA 0.152 54.877 54.840 -0.192 0.000 0.830 562 L CB 0.419 42.249 42.059 -0.381 0.000 1.200 562 L HN 0.458 nan 8.230 nan 0.000 0.438 563 L N 5.592 126.788 121.223 -0.044 0.000 2.356 563 L HA 0.270 4.610 4.340 0.001 0.000 0.282 563 L C 0.347 177.246 176.870 0.049 0.000 1.132 563 L CA -0.191 54.676 54.840 0.045 0.000 0.923 563 L CB -0.350 41.805 42.059 0.160 0.000 1.278 563 L HN 0.610 nan 8.230 nan 0.000 0.436 564 N N 3.635 122.357 118.700 0.036 0.000 2.401 564 N HA 0.030 4.770 4.740 0.001 0.000 0.255 564 N C 0.278 175.862 175.510 0.124 0.000 1.110 564 N CA -0.037 53.047 53.050 0.057 0.000 0.949 564 N CB 0.753 39.255 38.487 0.026 0.000 1.110 564 N HN 0.544 nan 8.380 nan 0.000 0.490 565 N N 2.781 121.587 118.700 0.177 0.000 2.238 565 N HA 0.004 4.745 4.740 0.001 0.000 0.235 565 N C -0.354 175.364 175.510 0.346 0.000 1.209 565 N CA -0.066 53.143 53.050 0.264 0.000 0.879 565 N CB 0.242 38.915 38.487 0.311 0.000 1.136 565 N HN 0.321 nan 8.380 nan 0.000 0.517 566 Q N -0.737 119.193 119.800 0.217 0.000 2.315 566 Q HA -0.243 4.097 4.340 0.001 0.000 0.221 566 Q C -0.841 175.159 176.000 -0.000 0.000 0.780 566 Q CA 1.633 57.500 55.803 0.107 0.000 1.357 566 Q CB -2.133 26.722 28.738 0.195 0.000 1.766 566 Q HN 0.758 nan 8.270 nan 0.000 0.613 567 H N -1.704 117.432 119.070 0.110 0.000 2.949 567 H HA 0.553 5.109 4.556 0.001 0.000 0.356 567 H C 0.049 175.451 175.328 0.124 0.000 1.212 567 H CA -0.848 55.283 56.048 0.139 0.000 1.136 567 H CB 0.869 30.760 29.762 0.215 0.000 1.869 567 H HN -0.032 nan 8.280 nan 0.000 0.556 568 L N 2.447 123.825 121.223 0.258 0.000 2.399 568 L HA 0.173 4.513 4.340 0.001 0.000 0.257 568 L C 1.508 178.500 176.870 0.203 0.000 1.236 568 L CA -0.174 54.771 54.840 0.176 0.000 1.144 568 L CB -0.225 41.908 42.059 0.124 0.000 1.379 568 L HN 0.982 nan 8.230 nan 0.000 0.414 569 G N 2.065 110.997 108.800 0.220 0.000 2.766 569 G HA2 -0.430 3.531 3.960 0.001 0.000 0.222 569 G HA3 -0.430 3.531 3.960 0.001 0.000 0.222 569 G C 1.332 176.311 174.900 0.131 0.000 1.225 569 G CA 1.273 46.490 45.100 0.195 0.000 0.784 569 G HN 0.534 nan 8.290 nan 0.000 0.631 570 M N 0.316 119.954 119.600 0.062 0.000 2.149 570 M HA -0.018 4.462 4.480 0.001 0.000 0.261 570 M C 2.514 178.879 176.300 0.108 0.000 1.064 570 M CA 1.262 56.592 55.300 0.050 0.000 1.102 570 M CB -0.390 32.191 32.600 -0.032 0.000 1.369 570 M HN 0.075 nan 8.290 nan 0.000 0.408 571 V N 0.571 120.530 119.914 0.075 0.000 2.548 571 V HA -0.253 3.868 4.120 0.001 0.000 0.249 571 V C 2.346 178.560 176.094 0.200 0.000 1.055 571 V CA 1.837 64.192 62.300 0.091 0.000 1.065 571 V CB -1.065 30.788 31.823 0.051 0.000 0.681 571 V HN 0.735 nan 8.190 nan 0.000 0.462 572 M N -0.146 119.577 119.600 0.204 0.000 2.319 572 M HA -0.132 4.349 4.480 0.001 0.000 0.265 572 M C 2.102 178.530 176.300 0.212 0.000 1.068 572 M CA 1.888 57.323 55.300 0.226 0.000 1.118 572 M CB -0.674 32.075 32.600 0.249 0.000 1.395 572 M HN 0.258 nan 8.290 nan 0.000 0.435 573 Q N 0.150 120.049 119.800 0.165 0.000 2.050 573 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 573 Q C 1.579 177.583 176.000 0.007 0.000 0.980 573 Q CA 2.225 57.976 55.803 -0.087 0.000 0.840 573 Q CB -0.233 28.409 28.738 -0.161 0.000 0.898 573 Q HN 0.754 nan 8.270 nan 0.000 0.424 574 W N 1.313 122.624 121.300 0.019 0.000 2.402 574 W HA -0.054 4.606 4.660 0.001 0.000 0.286 574 W C 1.910 178.594 176.519 0.275 0.000 1.221 574 W CA 1.058 58.519 57.345 0.194 0.000 1.257 574 W CB -0.085 29.606 29.460 0.385 0.000 1.120 574 W HN 0.322 nan 8.180 nan 0.000 0.551 575 E N -0.125 120.336 120.200 0.436 0.000 2.072 575 E HA -0.192 4.158 4.350 0.001 0.000 0.191 575 E C 1.599 178.349 176.600 0.250 0.000 0.985 575 E CA 1.473 58.109 56.400 0.393 0.000 0.801 575 E CB -0.299 29.543 29.700 0.237 0.000 0.750 575 E HN 0.203 nan 8.360 nan 0.000 0.452 576 D N 0.408 120.897 120.400 0.149 0.000 2.097 576 D HA -0.113 4.527 4.640 0.001 0.000 0.197 576 D C 2.044 178.303 176.300 -0.068 0.000 0.984 576 D CA 0.852 54.908 54.000 0.094 0.000 0.826 576 D CB -0.113 40.831 40.800 0.238 0.000 0.973 576 D HN 0.023 nan 8.370 nan 0.000 0.460 577 R N -0.065 120.241 120.500 -0.323 0.000 2.066 577 R HA -0.011 4.329 4.340 0.001 0.000 0.232 577 R C 1.959 177.737 176.300 -0.871 0.000 1.131 577 R CA 0.791 56.416 56.100 -0.791 0.000 0.955 577 R CB -0.631 28.737 30.300 -1.554 0.000 0.851 577 R HN 0.337 nan 8.270 nan 0.000 0.432 578 F N -2.556 117.323 119.950 -0.119 0.000 2.682 578 F HA 0.243 4.770 4.527 0.001 0.000 0.308 578 F C 0.331 175.788 175.800 -0.572 0.000 1.093 578 F CA -0.325 57.471 58.000 -0.341 0.000 1.244 578 F CB 0.428 39.150 39.000 -0.463 0.000 1.052 578 F HN -0.101 nan 8.300 nan 0.000 0.573 579 Y N 0.093 120.473 120.300 0.133 0.000 2.721 579 Y HA 0.283 4.834 4.550 0.001 0.000 0.251 579 Y C 0.250 176.192 175.900 0.070 0.000 1.136 579 Y CA -1.423 56.749 58.100 0.120 0.000 1.142 579 Y CB 0.022 38.569 38.460 0.145 0.000 1.212 579 Y HN -0.095 nan 8.280 nan 0.000 0.565 580 K N 0.677 121.146 120.400 0.115 0.000 3.077 580 K HA -0.259 4.061 4.320 0.001 0.000 0.264 580 K C 0.822 177.479 176.600 0.094 0.000 1.008 580 K CA 0.532 56.866 56.287 0.078 0.000 0.740 580 K CB -1.485 31.057 32.500 0.069 0.000 1.273 580 K HN 0.637 nan 8.250 nan 0.000 0.477 581 A N -0.400 122.488 122.820 0.114 0.000 2.798 581 A HA -0.288 4.032 4.320 0.001 0.000 0.282 581 A C 0.206 177.855 177.584 0.108 0.000 1.464 581 A CA 1.430 53.535 52.037 0.113 0.000 0.844 581 A CB -1.557 17.488 19.000 0.075 0.000 1.006 581 A HN 0.707 nan 8.150 nan 0.000 0.577 582 N N 0.823 119.598 118.700 0.126 0.000 2.402 582 N HA 0.216 4.956 4.740 0.001 0.000 0.259 582 N C 0.231 175.772 175.510 0.051 0.000 1.167 582 N CA -0.227 52.873 53.050 0.083 0.000 0.949 582 N CB 0.261 38.803 38.487 0.092 0.000 1.212 582 N HN 0.316 nan 8.380 nan 0.000 0.493 583 R N 2.653 123.176 120.500 0.038 0.000 2.404 583 R HA 0.152 4.493 4.340 0.001 0.000 0.315 583 R C -0.433 175.812 176.300 -0.091 0.000 1.032 583 R CA -0.058 56.057 56.100 0.025 0.000 0.992 583 R CB 0.206 30.542 30.300 0.059 0.000 0.959 583 R HN 0.567 nan 8.270 nan 0.000 0.428 584 A N 4.713 127.446 122.820 -0.146 0.000 3.064 584 A HA 0.284 4.605 4.320 0.001 0.000 0.339 584 A C -0.379 176.928 177.584 -0.462 0.000 1.078 584 A CA -0.590 51.188 52.037 -0.432 0.000 0.869 584 A CB -0.184 18.648 19.000 -0.279 0.000 1.067 584 A HN 0.892 nan 8.150 nan 0.000 0.480 585 H N 0.124 119.233 119.070 0.065 0.000 2.976 585 H HA -0.152 4.404 4.556 0.001 0.000 0.273 585 H C 0.936 176.310 175.328 0.076 0.000 1.259 585 H CA 1.269 57.355 56.048 0.064 0.000 1.122 585 H CB -2.421 27.361 29.762 0.033 0.000 1.298 585 H HN 0.783 nan 8.280 nan 0.000 0.379 586 T N -3.483 111.169 114.554 0.163 0.000 3.044 586 T HA 0.137 4.487 4.350 0.001 0.000 0.250 586 T C 0.532 175.333 174.700 0.167 0.000 1.081 586 T CA -0.169 62.043 62.100 0.185 0.000 1.040 586 T CB 0.246 69.258 68.868 0.240 0.000 0.962 586 T HN 0.190 nan 8.240 nan 0.000 0.506 587 F N 2.526 122.433 119.950 -0.071 0.000 2.438 587 F HA 0.494 5.021 4.527 0.001 0.000 0.356 587 F C 0.579 176.280 175.800 -0.164 0.000 1.099 587 F CA -2.094 55.702 58.000 -0.340 0.000 1.185 587 F CB 0.584 39.406 39.000 -0.297 0.000 1.115 587 F HN -0.082 nan 8.300 nan 0.000 0.526 588 L N 5.673 126.403 121.223 -0.821 0.000 2.607 588 L HA 0.295 4.635 4.340 0.001 0.000 0.228 588 L C 1.346 177.825 176.870 -0.653 0.000 1.123 588 L CA 0.040 54.557 54.840 -0.538 0.000 0.890 588 L CB -0.633 41.283 42.059 -0.238 0.000 1.103 588 L HN 0.752 nan 8.230 nan 0.000 0.468 589 G N -1.063 106.787 108.800 -1.583 0.000 2.532 589 G HA2 0.113 4.074 3.960 0.001 0.000 0.291 589 G HA3 0.113 4.074 3.960 0.001 0.000 0.291 589 G C -1.141 173.535 174.900 -0.374 0.000 1.349 589 G CA -0.311 44.350 45.100 -0.731 0.000 1.038 589 G HN -0.065 nan 8.290 nan 0.000 0.518 590 D N -0.583 119.716 120.400 -0.169 0.000 2.313 590 D HA 0.316 4.957 4.640 0.001 0.000 0.239 590 D C -1.492 174.857 176.300 0.082 0.000 1.142 590 D CA -2.042 51.791 54.000 -0.279 0.000 0.847 590 D CB 1.850 42.219 40.800 -0.718 0.000 1.082 590 D HN -0.127 nan 8.370 nan 0.000 0.480 591 P HA -0.042 nan 4.420 nan 0.000 0.222 591 P C 0.849 178.154 177.300 0.007 0.000 1.147 591 P CA 0.848 64.009 63.100 0.102 0.000 0.790 591 P CB 0.278 32.027 31.700 0.082 0.000 0.780 592 A N -0.729 122.071 122.820 -0.034 0.000 2.067 592 A HA -0.143 4.177 4.320 0.001 0.000 0.219 592 A C 1.262 178.824 177.584 -0.036 0.000 1.158 592 A CA 1.311 53.321 52.037 -0.045 0.000 0.661 592 A CB -0.631 18.324 19.000 -0.074 0.000 0.801 592 A HN 0.257 nan 8.150 nan 0.000 0.452 593 Q N -1.714 118.069 119.800 -0.029 0.000 3.048 593 Q HA 0.343 4.684 4.340 0.001 0.000 0.337 593 Q C 0.792 176.818 176.000 0.043 0.000 0.845 593 Q CA 0.394 56.196 55.803 -0.002 0.000 0.942 593 Q CB 0.606 29.337 28.738 -0.011 0.000 1.454 593 Q HN 0.565 nan 8.270 nan 0.000 0.392 594 E N 1.197 121.413 120.200 0.027 0.000 2.164 594 E HA -0.234 4.116 4.350 0.001 0.000 0.206 594 E C 0.609 177.250 176.600 0.068 0.000 1.032 594 E CA 1.859 58.267 56.400 0.013 0.000 0.832 594 E CB -0.359 29.288 29.700 -0.090 0.000 0.742 594 E HN 0.420 nan 8.360 nan 0.000 0.460 595 D N 0.888 121.320 120.400 0.054 0.000 3.168 595 D HA 0.237 4.877 4.640 0.001 0.000 0.255 595 D C -0.544 175.806 176.300 0.083 0.000 1.314 595 D CA 0.056 54.097 54.000 0.068 0.000 0.900 595 D CB 0.290 41.115 40.800 0.042 0.000 1.072 595 D HN 0.332 nan 8.370 nan 0.000 0.487 596 E N 0.860 121.131 120.200 0.119 0.000 2.287 596 E HA 0.251 4.601 4.350 0.001 0.000 0.274 596 E C 0.073 176.773 176.600 0.166 0.000 0.896 596 E CA -0.600 55.872 56.400 0.119 0.000 0.788 596 E CB 2.458 32.217 29.700 0.098 0.000 1.244 596 E HN 0.179 nan 8.360 nan 0.000 0.408 597 I N 3.245 123.898 120.570 0.138 0.000 2.742 597 I HA -0.015 4.155 4.170 0.001 0.000 0.287 597 I C 0.033 176.260 176.117 0.182 0.000 1.186 597 I CA 0.713 62.094 61.300 0.135 0.000 1.417 597 I CB -0.123 37.926 38.000 0.081 0.000 1.377 597 I HN 0.312 nan 8.210 nan 0.000 0.556 598 F N 9.219 129.166 119.950 -0.005 0.000 2.574 598 F HA 0.570 5.098 4.527 0.001 0.000 0.313 598 F C -2.657 173.123 175.800 -0.033 0.000 1.130 598 F CA -2.120 55.865 58.000 -0.025 0.000 0.936 598 F CB 1.824 40.802 39.000 -0.037 0.000 1.219 598 F HN 0.203 nan 8.300 nan 0.000 0.445 599 P HA 0.157 nan 4.420 nan 0.000 0.289 599 P C -1.205 175.880 177.300 -0.359 0.000 1.299 599 P CA -0.427 62.044 63.100 -1.047 0.000 0.766 599 P CB 0.508 31.711 31.700 -0.830 0.000 1.226 600 N N 1.084 119.578 118.700 -0.342 0.000 2.719 600 N HA 0.071 4.811 4.740 0.001 0.000 0.243 600 N C 0.862 176.245 175.510 -0.212 0.000 1.104 600 N CA 0.038 52.970 53.050 -0.196 0.000 0.981 600 N CB -0.323 38.065 38.487 -0.165 0.000 1.290 600 N HN 0.196 nan 8.380 nan 0.000 0.513 601 M N 1.990 121.568 119.600 -0.037 0.000 2.260 601 M HA -0.182 4.299 4.480 0.001 0.000 0.261 601 M C 1.579 177.928 176.300 0.081 0.000 1.066 601 M CA 1.074 56.475 55.300 0.169 0.000 1.082 601 M CB -0.760 31.903 32.600 0.105 0.000 1.388 601 M HN 0.490 nan 8.290 nan 0.000 0.419 602 L N -0.558 120.648 121.223 -0.029 0.000 2.079 602 L HA -0.225 4.116 4.340 0.001 0.000 0.210 602 L C 2.358 179.199 176.870 -0.049 0.000 1.081 602 L CA 1.021 55.836 54.840 -0.043 0.000 0.752 602 L CB -0.713 41.312 42.059 -0.057 0.000 0.896 602 L HN 0.285 nan 8.230 nan 0.000 0.433 603 L N -1.788 119.362 121.223 -0.120 0.000 2.291 603 L HA -0.138 4.203 4.340 0.001 0.000 0.214 603 L C 2.384 179.190 176.870 -0.107 0.000 1.120 603 L CA 0.935 55.685 54.840 -0.151 0.000 0.799 603 L CB -0.379 41.537 42.059 -0.239 0.000 0.925 603 L HN 0.155 nan 8.230 nan 0.000 0.446 604 F N 0.058 120.009 119.950 0.001 0.000 2.146 604 F HA -0.200 4.327 4.527 0.001 0.000 0.298 604 F C 2.651 178.469 175.800 0.029 0.000 1.096 604 F CA 0.810 58.823 58.000 0.021 0.000 1.275 604 F CB -0.255 38.788 39.000 0.072 0.000 1.008 604 F HN 0.042 nan 8.300 nan 0.000 0.480 605 A N 0.188 123.140 122.820 0.220 0.000 1.877 605 A HA -0.133 4.187 4.320 0.001 0.000 0.216 605 A C 2.350 179.964 177.584 0.049 0.000 1.186 605 A CA 1.694 53.798 52.037 0.112 0.000 0.620 605 A CB -1.277 17.743 19.000 0.034 0.000 0.822 605 A HN 0.319 nan 8.150 nan 0.000 0.443 606 A N -0.068 122.763 122.820 0.018 0.000 1.908 606 A HA 0.115 4.435 4.320 0.001 0.000 0.218 606 A C 2.482 180.076 177.584 0.016 0.000 1.181 606 A CA 2.164 54.200 52.037 -0.002 0.000 0.627 606 A CB -1.055 17.931 19.000 -0.023 0.000 0.818 606 A HN 1.163 nan 8.150 nan 0.000 0.445 607 A N -1.489 121.353 122.820 0.037 0.000 2.024 607 A HA -0.157 4.163 4.320 0.001 0.000 0.220 607 A C 1.777 179.391 177.584 0.050 0.000 1.164 607 A CA 1.668 53.733 52.037 0.047 0.000 0.643 607 A CB -0.905 18.145 19.000 0.083 0.000 0.806 607 A HN 0.651 nan 8.150 nan 0.000 0.451 608 C N -0.958 118.376 119.300 0.056 0.000 2.668 608 C HA 0.527 4.987 4.460 0.001 0.000 0.301 608 C C 1.623 176.633 174.990 0.034 0.000 1.351 608 C CA -0.392 58.654 59.018 0.047 0.000 1.757 608 C CB -1.150 26.624 27.740 0.056 0.000 2.179 608 C HN 1.066 nan 8.230 nan 0.000 0.586 609 G N 1.954 110.768 108.800 0.024 0.000 2.323 609 G HA2 -0.259 3.701 3.960 0.001 0.000 0.292 609 G HA3 -0.259 3.701 3.960 0.001 0.000 0.292 609 G C -0.237 174.669 174.900 0.009 0.000 1.040 609 G CA 0.062 45.170 45.100 0.014 0.000 0.942 609 G HN 0.651 nan 8.290 nan 0.000 0.506 610 I N 1.714 122.283 120.570 -0.001 0.000 2.389 610 I HA 0.283 4.454 4.170 0.001 0.000 0.288 610 I C -1.762 174.296 176.117 -0.098 0.000 0.999 610 I CA -2.537 58.749 61.300 -0.023 0.000 1.129 610 I CB 2.110 40.114 38.000 0.007 0.000 1.288 610 I HN -0.062 nan 8.210 nan 0.000 0.444 611 P HA 0.178 nan 4.420 nan 0.000 0.265 611 P C -0.888 176.032 177.300 -0.632 0.000 1.193 611 P CA 0.049 62.981 63.100 -0.279 0.000 0.765 611 P CB 1.291 32.889 31.700 -0.170 0.000 0.823 612 A N 2.128 124.646 122.820 -0.504 0.000 2.594 612 A HA 0.871 5.191 4.320 0.001 0.000 0.291 612 A C -1.410 176.025 177.584 -0.248 0.000 1.105 612 A CA -0.355 51.380 52.037 -0.503 0.000 0.694 612 A CB 1.845 20.700 19.000 -0.243 0.000 1.291 612 A HN 0.655 nan 8.150 nan 0.000 0.410 613 A N 0.097 122.857 122.820 -0.100 0.000 2.612 613 A HA 0.848 5.169 4.320 0.001 0.000 0.293 613 A C -0.750 176.856 177.584 0.037 0.000 1.075 613 A CA -0.526 51.527 52.037 0.026 0.000 0.680 613 A CB 1.310 20.397 19.000 0.145 0.000 1.279 613 A HN 1.239 nan 8.150 nan 0.000 0.411 614 R N 0.000 120.519 120.500 0.032 0.000 2.664 614 R HA 0.783 5.124 4.340 0.001 0.000 0.286 614 R C -1.637 174.686 176.300 0.038 0.000 0.967 614 R CA -0.308 55.808 56.100 0.026 0.000 0.933 614 R CB 1.875 32.184 30.300 0.015 0.000 1.146 614 R HN 0.718 nan 8.270 nan 0.000 0.468 615 V N 2.384 122.320 119.914 0.036 0.000 2.638 615 V HA 0.436 4.556 4.120 0.001 0.000 0.306 615 V C -0.249 175.867 176.094 0.036 0.000 1.052 615 V CA -0.640 61.683 62.300 0.039 0.000 0.885 615 V CB 1.929 33.777 31.823 0.042 0.000 0.999 615 V HN 1.035 nan 8.190 nan 0.000 0.424 616 T N 1.369 115.943 114.554 0.035 0.000 2.966 616 T HA 0.219 4.570 4.350 0.001 0.000 0.254 616 T C 0.425 175.144 174.700 0.031 0.000 0.961 616 T CA -0.049 62.072 62.100 0.035 0.000 0.915 616 T CB 0.330 69.219 68.868 0.035 0.000 1.186 616 T HN 0.515 nan 8.240 nan 0.000 0.505 617 K N 2.045 122.463 120.400 0.029 0.000 2.213 617 K HA 0.390 4.710 4.320 0.001 0.000 0.270 617 K C 0.889 177.505 176.600 0.026 0.000 1.002 617 K CA -0.427 55.874 56.287 0.023 0.000 0.868 617 K CB 1.877 34.389 32.500 0.020 0.000 1.093 617 K HN -0.038 nan 8.250 nan 0.000 0.454 618 K N 2.439 122.846 120.400 0.012 0.000 2.218 618 K HA -0.230 4.091 4.320 0.001 0.000 0.205 618 K C 1.514 178.137 176.600 0.038 0.000 1.046 618 K CA 1.697 57.990 56.287 0.010 0.000 0.933 618 K CB 0.007 32.456 32.500 -0.084 0.000 0.728 618 K HN 0.727 nan 8.250 nan 0.000 0.454 619 A N 1.219 124.051 122.820 0.021 0.000 1.930 619 A HA -0.125 4.195 4.320 0.001 0.000 0.217 619 A C 1.320 178.929 177.584 0.042 0.000 1.175 619 A CA 1.669 53.723 52.037 0.029 0.000 0.627 619 A CB -0.170 18.838 19.000 0.013 0.000 0.815 619 A HN 0.401 nan 8.150 nan 0.000 0.443 620 D N -0.552 119.872 120.400 0.040 0.000 2.349 620 D HA 0.014 4.655 4.640 0.001 0.000 0.215 620 D C 1.598 177.923 176.300 0.043 0.000 1.016 620 D CA 0.079 54.101 54.000 0.037 0.000 0.870 620 D CB -0.070 40.750 40.800 0.032 0.000 0.917 620 D HN 0.296 nan 8.370 nan 0.000 0.524 621 L N 1.571 122.831 121.223 0.062 0.000 1.990 621 L HA -0.192 4.148 4.340 0.001 0.000 0.213 621 L C 2.364 179.254 176.870 0.035 0.000 1.072 621 L CA 1.781 56.659 54.840 0.064 0.000 0.755 621 L CB -0.411 41.722 42.059 0.122 0.000 0.889 621 L HN -0.122 nan 8.230 nan 0.000 0.432 622 R N -0.746 119.779 120.500 0.042 0.000 2.083 622 R HA -0.228 4.112 4.340 0.001 0.000 0.237 622 R C 2.368 178.663 176.300 -0.007 0.000 1.137 622 R CA 1.991 58.095 56.100 0.006 0.000 0.951 622 R CB -0.322 29.990 30.300 0.020 0.000 0.851 622 R HN 0.585 nan 8.270 nan 0.000 0.434 623 E N -0.510 119.693 120.200 0.004 0.000 2.106 623 E HA -0.159 4.192 4.350 0.001 0.000 0.192 623 E C 1.744 178.335 176.600 -0.016 0.000 0.984 623 E CA 0.942 57.339 56.400 -0.005 0.000 0.806 623 E CB -0.027 29.676 29.700 0.006 0.000 0.750 623 E HN 0.469 nan 8.360 nan 0.000 0.458 624 A N 1.291 124.110 122.820 -0.003 0.000 1.858 624 A HA -0.168 4.152 4.320 0.001 0.000 0.216 624 A C 2.152 179.706 177.584 -0.051 0.000 1.190 624 A CA 1.325 53.361 52.037 -0.002 0.000 0.617 624 A CB -0.657 18.361 19.000 0.030 0.000 0.827 624 A HN 0.298 nan 8.150 nan 0.000 0.443 625 I N -0.823 119.721 120.570 -0.043 0.000 2.179 625 I HA -0.298 3.873 4.170 0.001 0.000 0.242 625 I C 2.787 178.840 176.117 -0.106 0.000 1.088 625 I CA 1.876 63.136 61.300 -0.067 0.000 1.357 625 I CB -0.399 37.575 38.000 -0.044 0.000 1.051 625 I HN 0.416 nan 8.210 nan 0.000 0.409 626 Q N 0.905 120.657 119.800 -0.081 0.000 2.152 626 Q HA -0.197 4.143 4.340 0.001 0.000 0.206 626 Q C 2.058 177.983 176.000 -0.125 0.000 0.985 626 Q CA 2.546 58.300 55.803 -0.082 0.000 0.863 626 Q CB -0.437 28.269 28.738 -0.053 0.000 0.904 626 Q HN 0.420 nan 8.270 nan 0.000 0.422 627 T N 0.530 114.993 114.554 -0.151 0.000 2.674 627 T HA -0.202 4.148 4.350 0.001 0.000 0.265 627 T C 1.656 176.087 174.700 -0.450 0.000 1.039 627 T CA 1.578 63.553 62.100 -0.208 0.000 1.150 627 T CB -0.402 68.379 68.868 -0.144 0.000 0.864 627 T HN 0.490 nan 8.240 nan 0.000 0.427 628 M N 0.723 119.903 119.600 -0.700 0.000 2.088 628 M HA -0.144 4.337 4.480 0.001 0.000 0.256 628 M C 2.035 178.049 176.300 -0.476 0.000 1.071 628 M CA 1.839 56.471 55.300 -1.113 0.000 1.097 628 M CB -0.424 31.817 32.600 -0.599 0.000 1.315 628 M HN 0.217 nan 8.290 nan 0.000 0.406 629 L N -0.046 121.027 121.223 -0.250 0.000 2.017 629 L HA -0.251 4.089 4.340 0.001 0.000 0.208 629 L C 2.137 178.950 176.870 -0.096 0.000 1.073 629 L CA 1.414 56.182 54.840 -0.119 0.000 0.745 629 L CB -1.044 40.972 42.059 -0.071 0.000 0.894 629 L HN 0.364 nan 8.230 nan 0.000 0.432 630 D N -0.818 119.515 120.400 -0.112 0.000 2.149 630 D HA -0.066 4.574 4.640 0.001 0.000 0.201 630 D C 0.835 177.107 176.300 -0.046 0.000 0.972 630 D CA 0.756 54.717 54.000 -0.065 0.000 0.835 630 D CB -0.241 40.525 40.800 -0.056 0.000 0.966 630 D HN 0.236 nan 8.370 nan 0.000 0.476 631 T N 3.727 118.234 114.554 -0.077 0.000 2.784 631 T HA 0.173 4.523 4.350 0.001 0.000 0.291 631 T C -2.341 172.391 174.700 0.053 0.000 0.942 631 T CA -1.046 61.063 62.100 0.014 0.000 1.161 631 T CB 1.076 69.999 68.868 0.092 0.000 0.885 631 T HN -0.060 nan 8.240 nan 0.000 0.534 632 P HA 0.369 nan 4.420 nan 0.000 0.268 632 P C 0.776 178.126 177.300 0.084 0.000 1.205 632 P CA 0.741 63.877 63.100 0.059 0.000 0.771 632 P CB 0.365 32.093 31.700 0.047 0.000 0.858 633 G N 2.917 111.764 108.800 0.079 0.000 2.660 633 G HA2 -0.108 3.852 3.960 0.001 0.000 0.215 633 G HA3 -0.108 3.852 3.960 0.001 0.000 0.215 633 G C -3.016 171.953 174.900 0.116 0.000 1.345 633 G CA -1.038 44.114 45.100 0.087 0.000 0.877 633 G HN 0.408 nan 8.290 nan 0.000 0.549 634 P HA 0.519 nan 4.420 nan 0.000 0.272 634 P C -0.897 176.513 177.300 0.183 0.000 1.223 634 P CA 0.162 63.337 63.100 0.125 0.000 0.784 634 P CB 0.521 32.273 31.700 0.088 0.000 0.923 635 Y N 1.476 121.800 120.300 0.041 0.000 2.521 635 Y HA 0.512 5.063 4.550 0.001 0.000 0.332 635 Y C -1.809 174.104 175.900 0.022 0.000 1.121 635 Y CA -1.222 56.896 58.100 0.031 0.000 1.037 635 Y CB 1.534 40.008 38.460 0.024 0.000 1.330 635 Y HN 0.235 nan 8.280 nan 0.000 0.452 636 L N 6.878 128.016 121.223 -0.141 0.000 2.343 636 L HA 0.660 5.001 4.340 0.001 0.000 0.278 636 L C -2.269 174.611 176.870 0.015 0.000 0.996 636 L CA -0.688 54.130 54.840 -0.036 0.000 0.831 636 L CB 1.356 43.353 42.059 -0.104 0.000 1.232 636 L HN 0.608 nan 8.230 nan 0.000 0.413 637 L N 4.660 125.960 121.223 0.127 0.000 2.280 637 L HA 0.511 4.851 4.340 0.001 0.000 0.287 637 L C -0.816 176.055 176.870 0.002 0.000 1.023 637 L CA -0.017 54.904 54.840 0.136 0.000 0.819 637 L CB 1.165 43.322 42.059 0.165 0.000 1.212 637 L HN 0.666 nan 8.230 nan 0.000 0.420 638 D N 4.120 124.510 120.400 -0.016 0.000 2.441 638 D HA 0.183 4.824 4.640 0.001 0.000 0.221 638 D C -0.788 175.507 176.300 -0.008 0.000 1.156 638 D CA -0.060 53.911 54.000 -0.048 0.000 0.896 638 D CB 0.672 41.443 40.800 -0.049 0.000 1.028 638 D HN 0.264 nan 8.370 nan 0.000 0.509 639 V N 5.785 125.696 119.914 -0.006 0.000 2.372 639 V HA 0.152 4.273 4.120 0.001 0.000 0.261 639 V C 0.528 176.639 176.094 0.027 0.000 1.055 639 V CA -0.764 61.546 62.300 0.017 0.000 0.930 639 V CB 0.533 32.368 31.823 0.019 0.000 1.031 639 V HN 0.413 nan 8.190 nan 0.000 0.479 640 I N 4.534 125.126 120.570 0.036 0.000 2.496 640 I HA 0.282 4.452 4.170 0.001 0.000 0.285 640 I C 0.307 176.458 176.117 0.057 0.000 1.080 640 I CA 0.272 61.605 61.300 0.054 0.000 1.404 640 I CB 0.631 38.666 38.000 0.057 0.000 1.403 640 I HN 0.572 nan 8.210 nan 0.000 0.539 641 C N 7.061 126.409 119.300 0.080 0.000 2.802 641 C HA 0.495 4.955 4.460 0.001 0.000 0.307 641 C C -2.278 172.770 174.990 0.097 0.000 1.222 641 C CA -1.212 57.846 59.018 0.067 0.000 1.580 641 C CB 2.252 30.028 27.740 0.061 0.000 2.119 641 C HN 0.590 nan 8.230 nan 0.000 0.479 642 P HA 0.115 nan 4.420 nan 0.000 0.271 642 P C 0.465 177.792 177.300 0.045 0.000 1.220 642 P CA 0.479 63.590 63.100 0.019 0.000 0.768 642 P CB 0.367 31.995 31.700 -0.120 0.000 0.848 643 H N 4.135 123.215 119.070 0.016 0.000 2.495 643 H HA -0.083 4.474 4.556 0.001 0.000 0.287 643 H C 0.956 176.271 175.328 -0.021 0.000 1.033 643 H CA 0.794 56.846 56.048 0.007 0.000 1.307 643 H CB -0.278 29.407 29.762 -0.128 0.000 1.401 643 H HN 0.401 nan 8.280 nan 0.000 0.555 644 Q N 1.367 120.822 119.800 -0.575 0.000 2.515 644 Q HA 0.027 4.367 4.340 0.001 0.000 0.214 644 Q C -0.213 175.678 176.000 -0.180 0.000 0.971 644 Q CA 0.249 55.796 55.803 -0.427 0.000 0.952 644 Q CB 0.008 28.420 28.738 -0.542 0.000 0.999 644 Q HN 0.465 nan 8.270 nan 0.000 0.524 645 E N 1.601 121.811 120.200 0.017 0.000 2.383 645 E HA 0.177 4.527 4.350 0.001 0.000 0.264 645 E C -0.617 176.275 176.600 0.486 0.000 1.050 645 E CA 0.089 56.605 56.400 0.194 0.000 0.896 645 E CB 0.642 30.471 29.700 0.215 0.000 0.982 645 E HN 0.321 nan 8.360 nan 0.000 0.424 646 H N -0.147 119.113 119.070 0.316 0.000 2.600 646 H HA 0.293 4.849 4.556 0.001 0.000 0.357 646 H C -0.582 174.985 175.328 0.399 0.000 1.106 646 H CA -1.006 55.215 56.048 0.288 0.000 1.193 646 H CB 1.802 31.664 29.762 0.166 0.000 1.594 646 H HN 0.138 nan 8.280 nan 0.000 0.526 647 V N 5.658 125.767 119.914 0.324 0.000 2.521 647 V HA 0.101 4.222 4.120 0.001 0.000 0.286 647 V C 0.137 176.397 176.094 0.277 0.000 1.034 647 V CA 0.314 62.737 62.300 0.205 0.000 1.045 647 V CB 0.185 31.733 31.823 -0.459 0.000 0.974 647 V HN 0.448 nan 8.190 nan 0.000 0.480 648 L N 6.872 128.325 121.223 0.382 0.000 2.376 648 L HA 0.602 4.942 4.340 0.001 0.000 0.258 648 L C -2.295 174.771 176.870 0.327 0.000 1.013 648 L CA -1.825 53.223 54.840 0.347 0.000 0.822 648 L CB 2.993 45.236 42.059 0.307 0.000 1.388 648 L HN 0.409 nan 8.230 nan 0.000 0.413 649 P HA 0.212 nan 4.420 nan 0.000 0.277 649 P C -1.299 176.155 177.300 0.256 0.000 1.276 649 P CA -0.442 62.794 63.100 0.228 0.000 0.788 649 P CB 1.261 33.065 31.700 0.173 0.000 1.114 650 M N 0.547 120.231 119.600 0.140 0.000 2.284 650 M HA 0.377 4.857 4.480 0.001 0.000 0.281 650 M C -1.795 174.484 176.300 -0.036 0.000 1.083 650 M CA -0.600 54.715 55.300 0.024 0.000 0.965 650 M CB 1.408 34.065 32.600 0.095 0.000 1.717 650 M HN 0.163 nan 8.290 nan 0.000 0.479 651 I N 7.688 128.203 120.570 -0.092 0.000 2.328 651 I HA 0.375 4.546 4.170 0.001 0.000 0.287 651 I C -1.868 174.207 176.117 -0.071 0.000 1.012 651 I CA -1.793 59.474 61.300 -0.055 0.000 1.195 651 I CB 1.504 39.494 38.000 -0.017 0.000 1.350 651 I HN 0.457 nan 8.210 nan 0.000 0.464 652 P HA -0.091 nan 4.420 nan 0.000 0.267 652 P C 0.019 177.273 177.300 -0.076 0.000 1.195 652 P CA 0.038 63.068 63.100 -0.118 0.000 0.773 652 P CB 0.622 32.238 31.700 -0.141 0.000 0.837 653 S N 1.394 117.071 115.700 -0.039 0.000 2.596 653 S HA 0.264 4.734 4.470 0.001 0.000 0.298 653 S C 1.497 176.091 174.600 -0.010 0.000 1.255 653 S CA 0.982 59.211 58.200 0.050 0.000 1.083 653 S CB -1.537 61.777 63.200 0.189 0.000 0.837 653 S HN 0.917 nan 8.310 nan 0.000 0.499 654 G N 3.357 112.155 108.800 -0.004 0.000 2.143 654 G HA2 -0.175 3.785 3.960 0.001 0.000 0.248 654 G HA3 -0.175 3.785 3.960 0.001 0.000 0.248 654 G C 0.500 175.393 174.900 -0.012 0.000 0.991 654 G CA 0.169 45.264 45.100 -0.009 0.000 0.689 654 G HN 1.194 nan 8.290 nan 0.000 0.522 655 G N -1.478 107.314 108.800 -0.014 0.000 2.525 655 G HA2 0.674 4.634 3.960 0.001 0.000 0.287 655 G HA3 0.674 4.634 3.960 0.001 0.000 0.287 655 G C -0.068 174.845 174.900 0.021 0.000 1.350 655 G CA 0.504 45.599 45.100 -0.009 0.000 1.039 655 G HN 0.532 nan 8.290 nan 0.000 0.513 656 T N -0.758 113.811 114.554 0.026 0.000 2.942 656 T HA 0.267 4.617 4.350 0.001 0.000 0.289 656 T C 0.644 175.395 174.700 0.085 0.000 1.044 656 T CA -0.332 61.807 62.100 0.064 0.000 1.023 656 T CB 1.677 70.574 68.868 0.048 0.000 1.123 656 T HN 0.342 nan 8.240 nan 0.000 0.512 657 F N 2.119 122.056 119.950 -0.021 0.000 2.250 657 F HA -0.101 4.426 4.527 0.001 0.000 0.301 657 F C 1.707 177.502 175.800 -0.010 0.000 1.077 657 F CA 1.613 59.596 58.000 -0.027 0.000 1.348 657 F CB -0.577 38.382 39.000 -0.069 0.000 1.040 657 F HN 0.590 nan 8.300 nan 0.000 0.509 658 N N -0.322 118.311 118.700 -0.112 0.000 2.550 658 N HA -0.118 4.622 4.740 0.001 0.000 0.186 658 N C 0.417 175.834 175.510 -0.155 0.000 1.110 658 N CA 0.662 53.606 53.050 -0.175 0.000 0.912 658 N CB -0.042 38.423 38.487 -0.036 0.000 0.968 658 N HN 0.276 nan 8.380 nan 0.000 0.448 659 D N 0.252 120.580 120.400 -0.120 0.000 2.369 659 D HA 0.018 4.659 4.640 0.001 0.000 0.211 659 D C 0.183 176.428 176.300 -0.092 0.000 1.077 659 D CA 0.011 53.963 54.000 -0.080 0.000 0.842 659 D CB 0.246 41.019 40.800 -0.045 0.000 0.947 659 D HN -0.046 nan 8.370 nan 0.000 0.509 660 V N 1.926 121.741 119.914 -0.164 0.000 2.557 660 V HA -0.047 4.073 4.120 0.001 0.000 0.301 660 V C 0.141 176.196 176.094 -0.065 0.000 1.026 660 V CA 0.144 62.367 62.300 -0.128 0.000 1.137 660 V CB 0.002 31.683 31.823 -0.237 0.000 0.917 660 V HN -0.009 nan 8.190 nan 0.000 0.484 661 I N 6.505 127.070 120.570 -0.008 0.000 2.353 661 I HA 0.352 4.522 4.170 0.001 0.000 0.293 661 I C 1.030 177.192 176.117 0.075 0.000 0.992 661 I CA 0.053 61.369 61.300 0.027 0.000 1.268 661 I CB 1.641 39.657 38.000 0.028 0.000 1.387 661 I HN 0.807 nan 8.210 nan 0.000 0.478 662 T N 0.297 114.906 114.554 0.092 0.000 3.058 662 T HA 0.350 4.700 4.350 0.001 0.000 0.278 662 T C 0.237 175.010 174.700 0.122 0.000 0.974 662 T CA -0.305 61.876 62.100 0.136 0.000 0.893 662 T CB 0.250 69.226 68.868 0.181 0.000 1.138 662 T HN 0.541 nan 8.240 nan 0.000 0.529 663 E N 0.526 120.783 120.200 0.095 0.000 2.383 663 E HA 0.591 4.942 4.350 0.001 0.000 0.275 663 E C -0.346 176.298 176.600 0.074 0.000 0.918 663 E CA -0.957 55.490 56.400 0.079 0.000 0.764 663 E CB 2.243 31.972 29.700 0.047 0.000 1.252 663 E HN 0.473 nan 8.360 nan 0.000 0.449 664 G N 1.864 110.703 108.800 0.064 0.000 2.515 664 G HA2 0.153 4.114 3.960 0.001 0.000 0.686 664 G HA3 0.153 4.114 3.960 0.001 0.000 0.686 664 G C -1.281 173.615 174.900 -0.006 0.000 1.274 664 G CA -0.174 44.943 45.100 0.029 0.000 0.874 664 G HN 0.751 nan 8.290 nan 0.000 0.631 665 D N -2.084 118.193 120.400 -0.206 0.000 3.145 665 D HA 0.596 5.236 4.640 0.001 0.000 0.345 665 D C 0.884 176.698 176.300 -0.810 0.000 1.391 665 D CA 0.364 53.945 54.000 -0.699 0.000 0.930 665 D CB 0.278 40.874 40.800 -0.339 0.000 1.451 665 D HN 1.413 nan 8.370 nan 0.000 0.555 666 G N -0.701 107.637 108.800 -0.771 0.000 3.591 666 G HA2 0.322 4.283 3.960 0.001 0.000 0.282 666 G HA3 0.322 4.283 3.960 0.001 0.000 0.282 666 G C -0.002 174.746 174.900 -0.254 0.000 1.238 666 G CA -0.395 44.488 45.100 -0.362 0.000 0.993 666 G HN 0.194 nan 8.290 nan 0.000 0.542 667 R N 0.000 120.356 120.500 -0.241 0.000 2.786 667 R HA 0.000 4.340 4.340 0.001 0.000 0.208 667 R CA 0.000 55.987 56.100 -0.189 0.000 0.921 667 R CB 0.000 30.176 30.300 -0.207 0.000 0.687 667 R HN 0.000 nan 8.270 nan 0.000 0.535