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 3gf5_1_A DATA FIRST_RESID -3 DATA SEQUENCE GPLGMATEEA IIRIPPYHYI HVLDQNSNVS RVEVGPKTYI RQDNERVLFA DATA SEQUENCE PVRMVTVPPR HYCIVANPVS RDAQSSVLFD VTGQVRLRHA DQEIRLAQDP DATA SEQUENCE FPLYPGELLE KDITPLQVVL PNTALHLKAL LDFEDKNGDK VMAGDEWLFE DATA SEQUENCE GPGTYIPQKE VEVVEIIQAT VIKQNQALRL RARKECFDRD GKERVTGEEW DATA SEQUENCE LVRSVGAYLP AVFEEVLDLV DAVILTEKTA LHLRARQNFK DLRGVAHRTG DATA SEQUENCE EEWLVTVQDT EAHVPDVYEE VLGVVPITTL GPRHYCVILD PMGPDGKNQL DATA SEQUENCE GQKRVVKGEK SFFLQPGERL ERGIQDVYVL SEQQGLLLKA LQPLXXXXXX DATA SEQUENCE ERVAHQAGDR WLIRGPLEYV PSAKVEVVEE RQAI 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 -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 -3 G C 0.000 174.891 174.900 -0.016 0.000 0.946 -3 G CA 0.000 45.092 45.100 -0.014 0.000 0.502 -2 P HA 0.533 nan 4.420 nan 0.000 0.133 -2 P C 0.059 177.350 177.300 -0.015 0.000 0.988 -2 P CA 0.933 64.024 63.100 -0.015 0.000 0.915 -2 P CB -1.853 29.837 31.700 -0.018 0.000 1.305 -1 L N 2.159 123.375 121.223 -0.012 0.000 2.476 -1 L HA 0.817 5.159 4.340 0.003 0.000 0.264 -1 L C 1.457 178.321 176.870 -0.010 0.000 1.224 -1 L CA 0.300 55.135 54.840 -0.010 0.000 0.821 -1 L CB 0.557 nan 42.059 nan 0.000 1.101 -1 L HN 1.861 nan 8.230 nan 0.000 0.488 0 G N 2.089 110.885 108.800 -0.007 0.000 2.364 0 G HA2 0.509 4.471 3.960 0.003 0.000 0.267 0 G HA3 0.509 4.471 3.960 0.003 0.000 0.267 0 G C 0.339 175.240 174.900 0.001 0.000 1.233 0 G CA -0.531 44.566 45.100 -0.004 0.000 0.885 0 G HN 0.699 nan 8.290 nan 0.000 0.490 1 M N 1.354 120.956 119.600 0.002 0.000 2.240 1 M HA 0.237 4.719 4.480 0.003 0.000 0.317 1 M C 0.967 177.275 176.300 0.014 0.000 1.087 1 M CA -0.613 54.690 55.300 0.005 0.000 1.176 1 M CB 0.635 33.236 32.600 0.002 0.000 1.439 1 M HN 0.570 nan 8.290 nan 0.000 0.452 2 A N 1.696 124.523 122.820 0.011 0.000 2.407 2 A HA 0.401 4.723 4.320 0.003 0.000 0.248 2 A C 1.071 178.667 177.584 0.020 0.000 1.082 2 A CA 0.175 52.221 52.037 0.015 0.000 0.785 2 A CB -0.038 18.969 19.000 0.011 0.000 1.020 2 A HN 0.959 nan 8.150 nan 0.000 0.489 3 T N -1.228 113.340 114.554 0.023 0.000 2.978 3 T HA 0.153 4.504 4.350 0.003 0.000 0.248 3 T C 0.335 175.052 174.700 0.027 0.000 1.018 3 T CA 0.412 62.525 62.100 0.021 0.000 1.026 3 T CB -0.136 68.746 68.868 0.023 0.000 1.032 3 T HN 0.647 nan 8.240 nan 0.000 0.485 4 E N 2.624 122.840 120.200 0.026 0.000 1.892 4 E HA 0.232 4.584 4.350 0.003 0.000 0.271 4 E C -0.502 176.113 176.600 0.025 0.000 1.146 4 E CA -0.037 56.379 56.400 0.027 0.000 1.096 4 E CB 0.289 30.002 29.700 0.021 0.000 1.155 4 E HN 0.552 nan 8.360 nan 0.000 0.458 5 E N 0.294 120.515 120.200 0.034 0.000 2.244 5 E HA 0.331 4.682 4.350 0.003 0.000 0.266 5 E C 0.401 177.016 176.600 0.025 0.000 0.914 5 E CA -0.558 55.859 56.400 0.028 0.000 0.794 5 E CB 1.925 31.645 29.700 0.033 0.000 1.210 5 E HN 0.307 nan 8.360 nan 0.000 0.414 6 A N 1.945 124.768 122.820 0.005 0.000 1.968 6 A HA 0.006 4.328 4.320 0.003 0.000 0.217 6 A C 0.786 178.351 177.584 -0.032 0.000 1.169 6 A CA 1.116 53.142 52.037 -0.018 0.000 0.638 6 A CB -0.039 18.947 19.000 -0.023 0.000 0.812 6 A HN 0.435 nan 8.150 nan 0.000 0.446 7 I N -0.815 119.752 120.570 -0.005 0.000 2.498 7 I HA 0.436 4.607 4.170 0.003 0.000 0.290 7 I C -0.855 175.293 176.117 0.053 0.000 1.032 7 I CA -0.199 61.103 61.300 0.004 0.000 1.073 7 I CB 2.129 40.124 38.000 -0.009 0.000 1.251 7 I HN 0.039 nan 8.210 nan 0.000 0.426 8 I N 4.882 125.523 120.570 0.118 0.000 2.410 8 I HA 0.429 4.601 4.170 0.003 0.000 0.286 8 I C -0.270 175.901 176.117 0.090 0.000 1.009 8 I CA -0.921 60.444 61.300 0.109 0.000 1.111 8 I CB 1.598 39.684 38.000 0.143 0.000 1.262 8 I HN 0.450 nan 8.210 nan 0.000 0.443 9 R N 7.680 128.199 120.500 0.032 0.000 2.210 9 R HA 0.426 4.768 4.340 0.003 0.000 0.338 9 R C -1.034 175.256 176.300 -0.016 0.000 1.062 9 R CA -0.020 56.087 56.100 0.011 0.000 0.902 9 R CB 0.014 30.307 30.300 -0.012 0.000 1.050 9 R HN 0.556 nan 8.270 nan 0.000 0.461 10 I N 8.714 129.285 120.570 0.002 0.000 2.291 10 I HA 0.286 4.458 4.170 0.003 0.000 0.290 10 I C -1.870 174.232 176.117 -0.025 0.000 1.050 10 I CA -2.290 59.002 61.300 -0.014 0.000 1.245 10 I CB 1.357 39.369 38.000 0.020 0.000 1.405 10 I HN 0.462 nan 8.210 nan 0.000 0.478 11 P HA 0.188 nan 4.420 nan 0.000 0.273 11 P C -2.501 174.841 177.300 0.070 0.000 1.250 11 P CA -1.380 61.675 63.100 -0.074 0.000 0.793 11 P CB -0.296 31.247 31.700 -0.262 0.000 1.011 12 P HA -0.062 nan 4.420 nan 0.000 0.264 12 P C -0.619 176.796 177.300 0.192 0.000 1.183 12 P CA 0.720 63.802 63.100 -0.029 0.000 0.763 12 P CB -0.429 31.267 31.700 -0.006 0.000 0.807 13 Y N -1.051 119.326 120.300 0.129 0.000 3.825 13 Y HA -0.262 4.290 4.550 0.003 0.000 0.221 13 Y C 0.462 176.326 175.900 -0.059 0.000 1.195 13 Y CA 0.927 59.047 58.100 0.033 0.000 1.699 13 Y CB -3.102 35.336 38.460 -0.037 0.000 1.531 13 Y HN 0.545 nan 8.280 nan 0.000 0.640 14 H N -1.125 118.023 119.070 0.131 0.000 2.834 14 H HA 0.770 5.328 4.556 0.003 0.000 0.369 14 H C -0.385 175.052 175.328 0.182 0.000 1.174 14 H CA -0.783 55.337 56.048 0.120 0.000 1.165 14 H CB 1.526 31.302 29.762 0.024 0.000 1.820 14 H HN 0.121 nan 8.280 nan 0.000 0.558 15 Y N -0.701 119.670 120.300 0.117 0.000 2.609 15 Y HA 0.624 5.175 4.550 0.003 0.000 0.336 15 Y C -1.482 174.452 175.900 0.056 0.000 1.129 15 Y CA -1.389 56.738 58.100 0.044 0.000 1.040 15 Y CB 1.170 39.633 38.460 0.006 0.000 1.310 15 Y HN 0.669 nan 8.280 nan 0.000 0.460 16 I N -0.882 119.672 120.570 -0.026 0.000 3.002 16 I HA 0.653 4.825 4.170 0.003 0.000 0.310 16 I C -1.446 174.479 176.117 -0.320 0.000 1.087 16 I CA -1.154 59.938 61.300 -0.348 0.000 1.017 16 I CB 2.807 40.577 38.000 -0.383 0.000 1.226 16 I HN 0.854 nan 8.210 nan 0.000 0.443 17 H N 2.002 120.532 119.070 -0.901 0.000 2.459 17 H HA 0.634 5.191 4.556 0.003 0.000 0.332 17 H C -0.999 174.062 175.328 -0.446 0.000 1.094 17 H CA -1.033 54.711 56.048 -0.508 0.000 1.224 17 H CB 2.391 31.917 29.762 -0.393 0.000 1.449 17 H HN 0.341 nan 8.280 nan 0.000 0.484 18 V N 4.398 124.228 119.914 -0.141 0.000 2.459 18 V HA 0.110 4.231 4.120 0.003 0.000 0.295 18 V C -0.521 175.550 176.094 -0.038 0.000 1.029 18 V CA -0.783 61.443 62.300 -0.124 0.000 0.874 18 V CB 1.844 33.584 31.823 -0.139 0.000 0.985 18 V HN 0.421 nan 8.190 nan 0.000 0.438 19 L N 4.153 125.368 121.223 -0.014 0.000 2.264 19 L HA 0.557 4.899 4.340 0.003 0.000 0.289 19 L C -0.130 176.756 176.870 0.026 0.000 1.044 19 L CA 0.038 54.885 54.840 0.011 0.000 0.807 19 L CB 1.212 43.281 42.059 0.018 0.000 1.192 19 L HN 0.663 nan 8.230 nan 0.000 0.425 20 D N 3.369 123.785 120.400 0.027 0.000 2.336 20 D HA 0.084 4.726 4.640 0.003 0.000 0.249 20 D C 0.648 176.962 176.300 0.024 0.000 1.213 20 D CA 0.262 54.280 54.000 0.029 0.000 0.870 20 D CB 1.022 41.837 40.800 0.026 0.000 1.076 20 D HN 0.683 nan 8.370 nan 0.000 0.483 21 Q N 2.193 122.008 119.800 0.024 0.000 2.369 21 Q HA -0.040 4.302 4.340 0.003 0.000 0.206 21 Q C -0.129 175.881 176.000 0.017 0.000 0.963 21 Q CA 0.610 56.425 55.803 0.021 0.000 0.894 21 Q CB 0.050 28.800 28.738 0.020 0.000 0.965 21 Q HN 0.508 nan 8.270 nan 0.000 0.475 22 N N -0.358 118.352 118.700 0.015 0.000 2.473 22 N HA 0.121 4.863 4.740 0.003 0.000 0.291 22 N C 0.169 175.687 175.510 0.013 0.000 1.083 22 N CA 0.377 53.434 53.050 0.012 0.000 0.951 22 N CB 1.479 39.972 38.487 0.009 0.000 1.164 22 N HN 0.078 nan 8.380 nan 0.000 0.480 23 S N 1.875 117.582 115.700 0.012 0.000 2.156 23 S HA -0.378 4.094 4.470 0.003 0.000 0.234 23 S C 0.777 175.388 174.600 0.018 0.000 1.141 23 S CA 1.304 59.513 58.200 0.013 0.000 1.592 23 S CB -1.474 61.733 63.200 0.011 0.000 2.054 23 S HN 0.828 nan 8.310 nan 0.000 0.586 24 N N -0.104 118.608 118.700 0.020 0.000 2.741 24 N HA -0.134 4.607 4.740 0.003 0.000 0.251 24 N C -0.319 175.208 175.510 0.028 0.000 1.112 24 N CA 1.033 54.097 53.050 0.024 0.000 0.750 24 N CB -1.901 36.600 38.487 0.024 0.000 1.119 24 N HN 1.170 nan 8.380 nan 0.000 0.561 25 V N 0.789 120.720 119.914 0.027 0.000 2.415 25 V HA 0.166 4.288 4.120 0.003 0.000 0.267 25 V C 0.857 176.969 176.094 0.030 0.000 1.042 25 V CA -0.033 62.286 62.300 0.033 0.000 1.000 25 V CB 1.170 33.010 31.823 0.028 0.000 1.015 25 V HN 0.303 nan 8.190 nan 0.000 0.478 26 S N 6.642 122.360 115.700 0.030 0.000 2.499 26 S HA 0.721 5.193 4.470 0.003 0.000 0.279 26 S C -0.124 174.477 174.600 0.001 0.000 1.219 26 S CA -0.780 57.423 58.200 0.006 0.000 1.062 26 S CB 0.396 63.595 63.200 -0.002 0.000 0.978 26 S HN 0.923 nan 8.310 nan 0.000 0.489 27 R N 1.848 122.339 120.500 -0.015 0.000 2.817 27 R HA 0.734 5.076 4.340 0.003 0.000 0.268 27 R C -1.615 174.687 176.300 0.005 0.000 1.027 27 R CA -0.929 55.188 56.100 0.027 0.000 0.928 27 R CB 0.953 31.298 30.300 0.076 0.000 1.228 27 R HN 0.430 nan 8.270 nan 0.000 0.469 28 V N 1.034 120.996 119.914 0.081 0.000 2.539 28 V HA 0.377 4.499 4.120 0.003 0.000 0.292 28 V C -0.805 175.330 176.094 0.069 0.000 1.045 28 V CA -0.310 62.071 62.300 0.135 0.000 0.945 28 V CB 1.539 33.362 31.823 -0.000 0.000 0.993 28 V HN 0.746 nan 8.190 nan 0.000 0.464 29 E N 4.324 124.545 120.200 0.036 0.000 2.199 29 E HA 0.494 4.846 4.350 0.003 0.000 0.265 29 E C -1.300 175.322 176.600 0.036 0.000 0.882 29 E CA -0.349 56.044 56.400 -0.012 0.000 0.759 29 E CB 2.121 31.717 29.700 -0.173 0.000 1.148 29 E HN 0.461 nan 8.360 nan 0.000 0.412 30 V N 1.641 121.583 119.914 0.046 0.000 2.628 30 V HA 0.570 4.692 4.120 0.003 0.000 0.306 30 V C 0.686 176.805 176.094 0.041 0.000 1.045 30 V CA -0.713 61.623 62.300 0.060 0.000 0.905 30 V CB 2.088 33.927 31.823 0.027 0.000 0.997 30 V HN 0.741 nan 8.190 nan 0.000 0.436 31 G N 4.137 112.964 108.800 0.046 0.000 2.599 31 G HA2 0.544 4.505 3.960 0.003 0.000 0.264 31 G HA3 0.544 4.505 3.960 0.003 0.000 0.264 31 G C -2.593 172.271 174.900 -0.060 0.000 1.200 31 G CA -1.009 44.098 45.100 0.011 0.000 0.896 31 G HN 0.563 nan 8.290 nan 0.000 0.536 32 P HA 0.332 nan 4.420 nan 0.000 0.287 32 P C -0.892 176.406 177.300 -0.004 0.000 1.281 32 P CA -0.288 62.794 63.100 -0.031 0.000 0.781 32 P CB 1.255 32.930 31.700 -0.041 0.000 0.903 33 K N 0.257 120.667 120.400 0.016 0.000 2.598 33 K HA 0.396 4.718 4.320 0.003 0.000 0.271 33 K C -1.418 175.214 176.600 0.052 0.000 0.947 33 K CA -0.702 55.607 56.287 0.036 0.000 0.854 33 K CB 0.654 33.187 32.500 0.055 0.000 1.401 33 K HN 0.071 nan 8.250 nan 0.000 0.415 34 T N 3.266 117.848 114.554 0.046 0.000 2.997 34 T HA 0.099 4.450 4.350 0.003 0.000 0.311 34 T C -1.120 173.623 174.700 0.073 0.000 1.079 34 T CA -0.192 61.937 62.100 0.048 0.000 0.982 34 T CB -0.691 68.186 68.868 0.014 0.000 1.032 34 T HN 0.415 nan 8.240 nan 0.000 0.581 35 Y N 4.596 124.887 120.300 -0.014 0.000 2.436 35 Y HA 0.447 4.998 4.550 0.003 0.000 0.336 35 Y C -0.561 175.331 175.900 -0.015 0.000 1.049 35 Y CA -1.078 57.015 58.100 -0.013 0.000 1.294 35 Y CB 0.177 38.629 38.460 -0.013 0.000 1.179 35 Y HN 0.416 nan 8.280 nan 0.000 0.520 36 I N 7.349 127.553 120.570 -0.610 0.000 2.339 36 I HA 0.309 4.481 4.170 0.003 0.000 0.290 36 I C -0.314 175.299 176.117 -0.841 0.000 0.994 36 I CA -0.572 60.413 61.300 -0.525 0.000 1.191 36 I CB 1.269 39.107 38.000 -0.270 0.000 1.343 36 I HN 0.614 nan 8.210 nan 0.000 0.458 37 R N 5.870 126.023 120.500 -0.578 0.000 2.490 37 R HA 0.437 4.779 4.340 0.003 0.000 0.280 37 R C -0.601 175.590 176.300 -0.181 0.000 1.077 37 R CA -0.636 55.254 56.100 -0.351 0.000 1.065 37 R CB 0.791 31.100 30.300 0.016 0.000 1.003 37 R HN 0.413 nan 8.270 nan 0.000 0.470 38 Q N 1.949 121.688 119.800 -0.101 0.000 2.169 38 Q HA 0.101 4.443 4.340 0.003 0.000 0.234 38 Q C 0.182 176.171 176.000 -0.017 0.000 0.980 38 Q CA -0.522 55.247 55.803 -0.057 0.000 0.941 38 Q CB 0.936 29.651 28.738 -0.040 0.000 1.199 38 Q HN 0.684 nan 8.270 nan 0.000 0.496 39 D N 0.797 121.188 120.400 -0.015 0.000 2.104 39 D HA -0.178 4.464 4.640 0.003 0.000 0.194 39 D C 1.361 177.665 176.300 0.007 0.000 0.994 39 D CA 1.563 55.560 54.000 -0.005 0.000 0.830 39 D CB -0.101 40.695 40.800 -0.007 0.000 0.959 39 D HN 0.576 nan 8.370 nan 0.000 0.452 40 N N 0.938 119.643 118.700 0.010 0.000 2.381 40 N HA -0.130 4.612 4.740 0.003 0.000 0.182 40 N C 0.223 175.750 175.510 0.029 0.000 1.025 40 N CA 0.535 53.595 53.050 0.017 0.000 0.888 40 N CB -0.257 38.239 38.487 0.015 0.000 0.965 40 N HN 0.284 nan 8.380 nan 0.000 0.438 41 E N 0.070 120.295 120.200 0.041 0.000 2.318 41 E HA 0.363 4.715 4.350 0.003 0.000 0.265 41 E C -0.488 176.151 176.600 0.065 0.000 1.069 41 E CA -0.548 55.894 56.400 0.069 0.000 0.893 41 E CB 1.344 31.121 29.700 0.128 0.000 1.076 41 E HN 0.110 nan 8.360 nan 0.000 0.414 42 R N 1.494 122.030 120.500 0.060 0.000 2.510 42 R HA 0.255 4.597 4.340 0.003 0.000 0.287 42 R C -1.721 174.584 176.300 0.009 0.000 1.084 42 R CA -0.500 55.623 56.100 0.039 0.000 0.934 42 R CB 1.281 31.598 30.300 0.027 0.000 1.201 42 R HN 0.305 nan 8.270 nan 0.000 0.431 43 V N 6.378 126.292 119.914 -0.000 0.000 2.470 43 V HA 0.054 4.176 4.120 0.003 0.000 0.276 43 V C 1.007 177.042 176.094 -0.099 0.000 1.040 43 V CA -0.198 62.049 62.300 -0.088 0.000 1.008 43 V CB 1.231 33.014 31.823 -0.066 0.000 0.990 43 V HN 0.758 nan 8.190 nan 0.000 0.477 44 L N 5.857 126.960 121.223 -0.201 0.000 2.240 44 L HA 0.250 4.592 4.340 0.003 0.000 0.211 44 L C 0.282 177.147 176.870 -0.009 0.000 1.106 44 L CA 1.318 56.093 54.840 -0.109 0.000 0.793 44 L CB -0.684 41.325 42.059 -0.083 0.000 0.927 44 L HN 0.779 nan 8.230 nan 0.000 0.446 45 F N -4.061 115.863 119.950 -0.044 0.000 2.703 45 F HA 0.723 5.252 4.527 0.003 0.000 0.308 45 F C -0.171 175.562 175.800 -0.112 0.000 1.126 45 F CA -1.925 56.025 58.000 -0.082 0.000 0.959 45 F CB 0.091 39.021 39.000 -0.117 0.000 1.297 45 F HN -0.253 nan 8.300 nan 0.000 0.441 46 A N 1.287 124.192 122.820 0.142 0.000 2.406 46 A HA 0.645 4.967 4.320 0.003 0.000 0.243 46 A C -2.576 175.055 177.584 0.077 0.000 1.082 46 A CA -1.449 50.619 52.037 0.053 0.000 0.786 46 A CB -0.694 18.323 19.000 0.028 0.000 1.029 46 A HN 0.587 nan 8.150 nan 0.000 0.495 47 P HA 0.175 nan 4.420 nan 0.000 0.260 47 P C -0.477 176.831 177.300 0.012 0.000 1.172 47 P CA 0.392 63.488 63.100 -0.005 0.000 0.760 47 P CB 0.222 31.901 31.700 -0.035 0.000 0.773 48 V N 1.560 121.386 119.914 -0.147 0.000 2.864 48 V HA 0.549 4.671 4.120 0.003 0.000 0.314 48 V C 0.200 176.150 176.094 -0.239 0.000 1.073 48 V CA -1.341 60.825 62.300 -0.223 0.000 0.956 48 V CB 2.029 33.562 31.823 -0.484 0.000 1.023 48 V HN 0.294 nan 8.190 nan 0.000 0.435 49 R N 2.776 123.138 120.500 -0.230 0.000 2.623 49 R HA 0.310 4.652 4.340 0.003 0.000 0.271 49 R C 0.061 176.311 176.300 -0.084 0.000 1.043 49 R CA -0.071 55.791 56.100 -0.397 0.000 1.083 49 R CB 0.374 30.490 30.300 -0.307 0.000 0.974 49 R HN 0.723 nan 8.270 nan 0.000 0.436 50 M N 1.618 121.193 119.600 -0.041 0.000 2.245 50 M HA 0.039 4.521 4.480 0.003 0.000 0.330 50 M C 0.012 176.180 176.300 -0.220 0.000 1.098 50 M CA -0.033 55.262 55.300 -0.007 0.000 1.172 50 M CB 0.874 33.457 32.600 -0.029 0.000 1.467 50 M HN 0.238 nan 8.290 nan 0.000 0.454 51 V N 2.660 122.313 119.914 -0.436 0.000 2.479 51 V HA 0.055 4.177 4.120 0.003 0.000 0.281 51 V C 0.204 175.856 176.094 -0.736 0.000 1.031 51 V CA 0.267 62.204 62.300 -0.604 0.000 1.038 51 V CB 0.560 31.933 31.823 -0.750 0.000 0.981 51 V HN 0.796 nan 8.190 nan 0.000 0.478 52 T N 5.433 119.740 114.554 -0.412 0.000 2.770 52 T HA 0.378 4.730 4.350 0.003 0.000 0.297 52 T C -0.185 174.392 174.700 -0.206 0.000 0.997 52 T CA -0.288 61.632 62.100 -0.300 0.000 0.949 52 T CB 1.113 69.836 68.868 -0.242 0.000 0.941 52 T HN 0.333 nan 8.240 nan 0.000 0.457 53 V N 8.080 127.928 119.914 -0.111 0.000 2.334 53 V HA 0.316 4.438 4.120 0.003 0.000 0.267 53 V C -1.757 174.330 176.094 -0.013 0.000 1.040 53 V CA -1.796 60.499 62.300 -0.009 0.000 0.866 53 V CB 0.608 32.516 31.823 0.142 0.000 1.019 53 V HN 0.671 nan 8.190 nan 0.000 0.468 54 P HA 0.370 nan 4.420 nan 0.000 0.278 54 P C -2.818 174.509 177.300 0.046 0.000 1.266 54 P CA -2.273 60.780 63.100 -0.078 0.000 0.807 54 P CB 0.121 31.682 31.700 -0.231 0.000 1.094 55 P HA 0.005 nan 4.420 nan 0.000 0.264 55 P C 0.250 177.685 177.300 0.225 0.000 1.179 55 P CA 0.645 63.812 63.100 0.112 0.000 0.763 55 P CB -0.117 31.626 31.700 0.073 0.000 0.806 56 R N -1.462 119.135 120.500 0.162 0.000 3.989 56 R HA -0.216 4.125 4.340 0.003 0.000 0.377 56 R C -0.096 176.236 176.300 0.054 0.000 1.158 56 R CA 0.962 57.127 56.100 0.108 0.000 1.035 56 R CB -2.369 27.974 30.300 0.072 0.000 1.557 56 R HN 0.691 nan 8.270 nan 0.000 0.551 57 H N -1.342 117.774 119.070 0.076 0.000 2.797 57 H HA 0.677 5.234 4.556 0.003 0.000 0.362 57 H C -0.270 175.162 175.328 0.175 0.000 1.183 57 H CA -0.200 55.906 56.048 0.097 0.000 1.197 57 H CB 1.064 30.836 29.762 0.018 0.000 1.835 57 H HN 0.194 nan 8.280 nan 0.000 0.567 58 Y N -1.411 118.958 120.300 0.115 0.000 2.689 58 Y HA 0.660 5.212 4.550 0.003 0.000 0.333 58 Y C -1.113 174.832 175.900 0.075 0.000 1.190 58 Y CA -1.427 56.714 58.100 0.068 0.000 1.063 58 Y CB 0.824 39.285 38.460 0.001 0.000 1.294 58 Y HN 0.932 nan 8.280 nan 0.000 0.466 59 C N 0.712 120.027 119.300 0.024 0.000 3.236 59 C HA 0.876 5.338 4.460 0.003 0.000 0.312 59 C C -1.154 173.915 174.990 0.133 0.000 1.374 59 C CA -1.170 57.803 59.018 -0.074 0.000 1.455 59 C CB 1.202 28.956 27.740 0.023 0.000 1.834 59 C HN 0.921 nan 8.230 nan 0.000 0.460 60 I N 1.856 122.475 120.570 0.082 0.000 2.418 60 I HA 0.517 4.689 4.170 0.003 0.000 0.287 60 I C -0.688 175.468 176.117 0.066 0.000 1.008 60 I CA -0.594 60.768 61.300 0.103 0.000 1.104 60 I CB 1.816 39.882 38.000 0.110 0.000 1.264 60 I HN 0.525 nan 8.210 nan 0.000 0.438 61 V N 5.515 125.459 119.914 0.051 0.000 2.370 61 V HA 0.542 4.663 4.120 0.003 0.000 0.283 61 V C 0.593 176.699 176.094 0.021 0.000 1.023 61 V CA -0.517 61.809 62.300 0.044 0.000 0.857 61 V CB 1.444 33.283 31.823 0.027 0.000 0.985 61 V HN 0.851 nan 8.190 nan 0.000 0.443 62 A N 4.349 127.187 122.820 0.030 0.000 2.340 62 A HA 0.556 4.878 4.320 0.003 0.000 0.268 62 A C 0.779 178.372 177.584 0.015 0.000 1.100 62 A CA -0.380 51.670 52.037 0.022 0.000 0.803 62 A CB -0.104 18.916 19.000 0.033 0.000 1.043 62 A HN 1.001 nan 8.150 nan 0.000 0.488 63 N N -0.480 118.219 118.700 -0.002 0.000 2.705 63 N HA -0.110 4.632 4.740 0.003 0.000 0.255 63 N C -2.638 172.820 175.510 -0.085 0.000 1.008 63 N CA 1.186 54.210 53.050 -0.044 0.000 0.742 63 N CB -1.646 36.840 38.487 -0.001 0.000 0.906 63 N HN 0.559 nan 8.380 nan 0.000 0.541 64 P HA 0.091 nan 4.420 nan 0.000 0.272 64 P C 0.422 177.625 177.300 -0.161 0.000 1.223 64 P CA -0.386 62.652 63.100 -0.103 0.000 0.784 64 P CB 0.714 32.353 31.700 -0.101 0.000 0.923 65 V N -0.047 119.757 119.914 -0.184 0.000 2.715 65 V HA 0.191 4.313 4.120 0.003 0.000 0.299 65 V C 0.371 176.307 176.094 -0.263 0.000 1.054 65 V CA -0.232 61.902 62.300 -0.277 0.000 1.077 65 V CB -0.387 31.176 31.823 -0.433 0.000 0.972 65 V HN 0.453 nan 8.190 nan 0.000 0.484 66 S N 5.038 120.577 115.700 -0.268 0.000 2.565 66 S HA 0.559 5.031 4.470 0.003 0.000 0.276 66 S C 0.070 174.523 174.600 -0.246 0.000 1.326 66 S CA -0.628 57.442 58.200 -0.217 0.000 1.045 66 S CB 0.424 63.515 63.200 -0.181 0.000 0.918 66 S HN 0.853 nan 8.310 nan 0.000 0.505 67 R N 1.218 121.607 120.500 -0.186 0.000 2.807 67 R HA 0.456 4.798 4.340 0.003 0.000 0.276 67 R C -0.930 175.300 176.300 -0.117 0.000 0.979 67 R CA -1.090 54.907 56.100 -0.172 0.000 0.928 67 R CB 0.893 31.102 30.300 -0.152 0.000 1.191 67 R HN 0.618 nan 8.270 nan 0.000 0.471 68 D N 0.982 121.325 120.400 -0.095 0.000 2.447 68 D HA 0.147 4.788 4.640 0.003 0.000 0.265 68 D C 0.992 177.263 176.300 -0.047 0.000 1.250 68 D CA -0.430 53.535 54.000 -0.059 0.000 1.046 68 D CB 0.265 41.042 40.800 -0.039 0.000 1.095 68 D HN 0.460 nan 8.370 nan 0.000 0.555 69 A N -0.515 122.286 122.820 -0.032 0.000 1.958 69 A HA -0.277 4.045 4.320 0.003 0.000 0.221 69 A C 1.886 179.456 177.584 -0.024 0.000 1.178 69 A CA 1.823 53.845 52.037 -0.025 0.000 0.642 69 A CB -0.887 18.104 19.000 -0.016 0.000 0.816 69 A HN 0.648 nan 8.150 nan 0.000 0.453 70 Q N -0.879 118.908 119.800 -0.021 0.000 2.280 70 Q HA 0.239 4.581 4.340 0.003 0.000 0.202 70 Q C 0.107 176.094 176.000 -0.022 0.000 0.903 70 Q CA 0.393 56.187 55.803 -0.015 0.000 0.948 70 Q CB 0.266 29.001 28.738 -0.005 0.000 1.058 70 Q HN 0.595 nan 8.270 nan 0.000 0.493 71 S N -0.657 115.019 115.700 -0.039 0.000 3.361 71 S HA -0.134 4.337 4.470 0.003 0.000 0.288 71 S C 0.062 174.625 174.600 -0.062 0.000 1.269 71 S CA 0.527 58.695 58.200 -0.055 0.000 0.976 71 S CB -1.641 61.534 63.200 -0.041 0.000 1.162 71 S HN 0.411 nan 8.310 nan 0.000 0.643 72 S N 1.174 116.841 115.700 -0.055 0.000 2.565 72 S HA 0.477 4.949 4.470 0.003 0.000 0.274 72 S C 0.707 175.219 174.600 -0.146 0.000 1.309 72 S CA -0.694 57.472 58.200 -0.057 0.000 1.043 72 S CB 1.394 64.591 63.200 -0.005 0.000 0.939 72 S HN 0.326 nan 8.310 nan 0.000 0.504 73 V N 4.085 123.854 119.914 -0.242 0.000 2.655 73 V HA 0.080 4.202 4.120 0.003 0.000 0.300 73 V C 0.334 176.070 176.094 -0.597 0.000 1.044 73 V CA 0.060 62.053 62.300 -0.511 0.000 1.095 73 V CB -0.026 31.298 31.823 -0.832 0.000 0.952 73 V HN 0.652 nan 8.190 nan 0.000 0.485 74 L N 4.913 125.801 121.223 -0.560 0.000 2.379 74 L HA 0.588 4.930 4.340 0.003 0.000 0.269 74 L C -0.565 175.928 176.870 -0.627 0.000 1.084 74 L CA -0.154 54.438 54.840 -0.413 0.000 0.802 74 L CB 1.181 43.117 42.059 -0.206 0.000 1.175 74 L HN 0.470 nan 8.230 nan 0.000 0.448 75 F N -0.868 119.041 119.950 -0.068 0.000 2.579 75 F HA 0.366 4.895 4.527 0.003 0.000 0.324 75 F C 0.343 176.125 175.800 -0.029 0.000 1.058 75 F CA -1.023 56.947 58.000 -0.049 0.000 0.944 75 F CB 1.102 40.082 39.000 -0.033 0.000 1.245 75 F HN 0.369 nan 8.300 nan 0.000 0.477 76 D N 0.290 120.798 120.400 0.180 0.000 2.369 76 D HA 0.091 4.733 4.640 0.003 0.000 0.241 76 D C 1.502 177.861 176.300 0.099 0.000 1.271 76 D CA 0.065 54.129 54.000 0.106 0.000 0.942 76 D CB 0.780 41.632 40.800 0.086 0.000 1.129 76 D HN 0.377 nan 8.370 nan 0.000 0.476 77 V N -1.345 118.605 119.914 0.060 0.000 2.594 77 V HA -0.207 3.915 4.120 0.003 0.000 0.253 77 V C 1.952 178.065 176.094 0.032 0.000 1.069 77 V CA 2.175 64.499 62.300 0.040 0.000 1.082 77 V CB -1.567 30.273 31.823 0.028 0.000 0.680 77 V HN 0.658 nan 8.190 nan 0.000 0.469 78 T N -2.492 112.086 114.554 0.040 0.000 2.951 78 T HA 0.292 4.644 4.350 0.003 0.000 0.268 78 T C 1.807 176.524 174.700 0.028 0.000 1.073 78 T CA 1.445 63.565 62.100 0.032 0.000 1.134 78 T CB 0.004 68.895 68.868 0.038 0.000 0.884 78 T HN 1.609 nan 8.240 nan 0.000 0.479 79 G N 0.322 109.155 108.800 0.055 0.000 2.184 79 G HA2 -0.205 3.757 3.960 0.003 0.000 0.206 79 G HA3 -0.205 3.757 3.960 0.003 0.000 0.206 79 G C -0.094 174.905 174.900 0.165 0.000 0.995 79 G CA -0.019 45.100 45.100 0.032 0.000 0.651 79 G HN 0.813 nan 8.290 nan 0.000 0.511 80 Q N 1.583 121.485 119.800 0.170 0.000 2.296 80 Q HA 0.500 4.842 4.340 0.003 0.000 0.262 80 Q C 1.068 177.204 176.000 0.226 0.000 0.981 80 Q CA 0.097 56.009 55.803 0.183 0.000 0.905 80 Q CB 1.200 30.001 28.738 0.105 0.000 1.186 80 Q HN 1.209 nan 8.270 nan 0.000 0.399 81 V N 3.055 123.092 119.914 0.205 0.000 2.583 81 V HA 0.030 4.152 4.120 0.003 0.000 0.302 81 V C 0.037 176.041 176.094 -0.150 0.000 1.033 81 V CA 0.066 62.266 62.300 -0.168 0.000 1.194 81 V CB -0.247 31.411 31.823 -0.275 0.000 0.879 81 V HN 0.715 nan 8.190 nan 0.000 0.482 82 R N 4.521 124.898 120.500 -0.204 0.000 2.390 82 R HA 0.699 5.041 4.340 0.003 0.000 0.291 82 R C -0.445 175.714 176.300 -0.235 0.000 1.070 82 R CA -0.512 55.504 56.100 -0.140 0.000 1.014 82 R CB 0.982 31.227 30.300 -0.092 0.000 1.007 82 R HN 0.738 nan 8.270 nan 0.000 0.466 83 L N 2.347 123.390 121.223 -0.300 0.000 2.319 83 L HA 0.524 4.866 4.340 0.003 0.000 0.267 83 L C 0.349 176.942 176.870 -0.460 0.000 1.011 83 L CA -1.037 53.541 54.840 -0.437 0.000 0.818 83 L CB 1.663 43.367 42.059 -0.591 0.000 1.316 83 L HN 0.407 nan 8.230 nan 0.000 0.432 84 R N 0.479 120.787 120.500 -0.319 0.000 2.593 84 R HA 0.249 4.591 4.340 0.003 0.000 0.282 84 R C -0.887 175.311 176.300 -0.170 0.000 1.300 84 R CA -0.542 55.444 56.100 -0.190 0.000 1.221 84 R CB -0.292 29.937 30.300 -0.118 0.000 1.157 84 R HN 0.500 nan 8.270 nan 0.000 0.555 85 H N 1.235 120.295 119.070 -0.018 0.000 2.886 85 H HA 0.100 4.658 4.556 0.003 0.000 0.329 85 H C 1.166 176.491 175.328 -0.004 0.000 1.044 85 H CA 1.108 57.152 56.048 -0.007 0.000 1.456 85 H CB 1.002 30.763 29.762 -0.003 0.000 1.464 85 H HN 0.785 nan 8.280 nan 0.000 0.573 86 A N 2.043 124.928 122.820 0.108 0.000 3.526 86 A HA -0.211 4.111 4.320 0.003 0.000 0.254 86 A C 0.733 178.336 177.584 0.032 0.000 1.109 86 A CA 1.026 53.102 52.037 0.066 0.000 1.395 86 A CB -1.920 17.120 19.000 0.067 0.000 1.057 86 A HN 0.808 nan 8.150 nan 0.000 0.901 87 D N -0.107 120.302 120.400 0.015 0.000 2.506 87 D HA 0.626 5.268 4.640 0.003 0.000 0.254 87 D C 0.019 176.311 176.300 -0.014 0.000 1.089 87 D CA -0.227 53.771 54.000 -0.003 0.000 1.050 87 D CB 0.679 41.472 40.800 -0.011 0.000 1.221 87 D HN 0.593 nan 8.370 nan 0.000 0.589 88 Q N -0.846 118.941 119.800 -0.021 0.000 2.445 88 Q HA 0.522 4.864 4.340 0.003 0.000 0.281 88 Q C -0.944 175.035 176.000 -0.035 0.000 1.101 88 Q CA -0.930 54.861 55.803 -0.020 0.000 0.833 88 Q CB 2.454 31.186 28.738 -0.010 0.000 1.416 88 Q HN 0.581 nan 8.270 nan 0.000 0.451 89 E N 1.224 121.406 120.200 -0.030 0.000 2.287 89 E HA 0.301 4.653 4.350 0.003 0.000 0.274 89 E C -1.516 175.073 176.600 -0.019 0.000 0.896 89 E CA -0.597 55.776 56.400 -0.046 0.000 0.788 89 E CB 1.245 30.900 29.700 -0.074 0.000 1.244 89 E HN 0.448 nan 8.360 nan 0.000 0.408 90 I N 4.072 124.628 120.570 -0.023 0.000 2.471 90 I HA 0.182 4.354 4.170 0.003 0.000 0.286 90 I C 0.280 176.406 176.117 0.015 0.000 1.079 90 I CA 0.063 61.378 61.300 0.024 0.000 1.398 90 I CB 0.500 38.459 38.000 -0.068 0.000 1.403 90 I HN 0.260 nan 8.210 nan 0.000 0.530 91 R N 7.167 127.716 120.500 0.082 0.000 2.310 91 R HA 0.553 4.894 4.340 0.003 0.000 0.324 91 R C -0.550 175.833 176.300 0.138 0.000 0.955 91 R CA -0.721 55.410 56.100 0.051 0.000 0.830 91 R CB 1.160 31.472 30.300 0.021 0.000 1.154 91 R HN 0.560 nan 8.270 nan 0.000 0.458 92 L N 1.204 122.483 121.223 0.092 0.000 2.642 92 L HA 0.482 4.824 4.340 0.003 0.000 0.229 92 L C 0.906 177.853 176.870 0.128 0.000 1.179 92 L CA -0.960 53.947 54.840 0.113 0.000 0.834 92 L CB 0.277 42.368 42.059 0.052 0.000 1.515 92 L HN 0.550 nan 8.230 nan 0.000 0.512 93 A N 0.757 123.645 122.820 0.114 0.000 2.587 93 A HA 0.226 4.547 4.320 0.003 0.000 0.235 93 A C -0.223 177.419 177.584 0.097 0.000 1.044 93 A CA 0.709 52.806 52.037 0.100 0.000 0.754 93 A CB 0.021 19.069 19.000 0.079 0.000 0.968 93 A HN 0.680 nan 8.150 nan 0.000 0.509 94 Q N 1.047 120.913 119.800 0.110 0.000 2.721 94 Q HA 0.185 4.527 4.340 0.003 0.000 0.282 94 Q C -1.744 174.340 176.000 0.141 0.000 0.932 94 Q CA -0.841 55.047 55.803 0.143 0.000 0.816 94 Q CB 1.231 30.108 28.738 0.232 0.000 1.506 94 Q HN 0.775 nan 8.270 nan 0.000 0.399 95 D N 3.294 123.781 120.400 0.146 0.000 2.488 95 D HA 0.105 4.747 4.640 0.003 0.000 0.238 95 D C -2.232 174.171 176.300 0.172 0.000 1.138 95 D CA -0.428 53.657 54.000 0.140 0.000 0.873 95 D CB 0.581 41.468 40.800 0.146 0.000 1.183 95 D HN 0.261 nan 8.370 nan 0.000 0.458 96 P HA -0.024 nan 4.420 nan 0.000 0.260 96 P C -0.590 176.746 177.300 0.060 0.000 1.172 96 P CA 0.395 63.477 63.100 -0.030 0.000 0.760 96 P CB -0.003 31.711 31.700 0.023 0.000 0.773 97 F N 3.557 123.511 119.950 0.006 0.000 2.561 97 F HA 0.845 5.374 4.527 0.003 0.000 0.321 97 F C -2.753 172.946 175.800 -0.167 0.000 1.065 97 F CA -3.483 54.489 58.000 -0.047 0.000 0.934 97 F CB 0.892 39.880 39.000 -0.020 0.000 1.215 97 F HN 0.106 nan 8.300 nan 0.000 0.471 98 P HA 0.345 nan 4.420 nan 0.000 0.278 98 P C -1.096 175.946 177.300 -0.430 0.000 1.266 98 P CA -0.466 62.191 63.100 -0.739 0.000 0.807 98 P CB 1.768 32.905 31.700 -0.939 0.000 1.094 99 L N 1.422 122.271 121.223 -0.623 0.000 2.264 99 L HA 0.333 4.675 4.340 0.003 0.000 0.289 99 L C 0.426 177.325 176.870 0.048 0.000 1.044 99 L CA -0.803 54.004 54.840 -0.055 0.000 0.807 99 L CB -0.068 42.083 42.059 0.153 0.000 1.192 99 L HN 0.333 nan 8.230 nan 0.000 0.425 100 Y N 3.543 123.895 120.300 0.087 0.000 2.314 100 Y HA 0.164 4.716 4.550 0.003 0.000 0.334 100 Y C -1.724 174.178 175.900 0.003 0.000 1.266 100 Y CA -1.922 56.206 58.100 0.048 0.000 1.391 100 Y CB 0.039 38.468 38.460 -0.051 0.000 1.306 100 Y HN 0.422 nan 8.280 nan 0.000 0.558 101 P HA -0.039 nan 4.420 nan 0.000 0.261 101 P C 0.694 178.028 177.300 0.056 0.000 1.173 101 P CA 2.128 65.122 63.100 -0.177 0.000 0.760 101 P CB 0.284 31.852 31.700 -0.220 0.000 0.783 102 G N 2.317 111.192 108.800 0.126 0.000 2.420 102 G HA2 -0.231 3.731 3.960 0.003 0.000 0.221 102 G HA3 -0.231 3.731 3.960 0.003 0.000 0.221 102 G C 0.146 175.119 174.900 0.120 0.000 1.117 102 G CA 0.240 45.416 45.100 0.127 0.000 0.657 102 G HN 0.711 nan 8.290 nan 0.000 0.512 103 E N 1.374 121.644 120.200 0.118 0.000 2.354 103 E HA 0.548 4.900 4.350 0.003 0.000 0.269 103 E C -0.065 176.615 176.600 0.134 0.000 1.036 103 E CA -0.368 56.092 56.400 0.099 0.000 0.876 103 E CB 0.978 30.727 29.700 0.080 0.000 1.009 103 E HN 1.087 nan 8.360 nan 0.000 0.416 104 L N 0.497 121.779 121.223 0.100 0.000 2.424 104 L HA 0.436 4.778 4.340 0.003 0.000 0.258 104 L C -1.024 175.892 176.870 0.076 0.000 0.995 104 L CA -1.431 53.465 54.840 0.093 0.000 0.821 104 L CB 1.050 43.154 42.059 0.076 0.000 1.383 104 L HN 0.552 nan 8.230 nan 0.000 0.410 105 L N 2.046 123.310 121.223 0.069 0.000 2.515 105 L HA 0.278 4.620 4.340 0.003 0.000 0.281 105 L C 1.312 178.202 176.870 0.034 0.000 1.131 105 L CA 0.864 55.739 54.840 0.059 0.000 0.905 105 L CB -0.258 41.827 42.059 0.044 0.000 1.246 105 L HN 0.904 nan 8.230 nan 0.000 0.463 106 E N 3.710 123.931 120.200 0.035 0.000 2.299 106 E HA -0.050 4.302 4.350 0.003 0.000 0.193 106 E C -0.033 176.575 176.600 0.013 0.000 0.998 106 E CA 0.441 56.856 56.400 0.025 0.000 0.851 106 E CB 0.438 30.156 29.700 0.029 0.000 0.795 106 E HN 0.607 nan 8.360 nan 0.000 0.492 107 K N 1.098 121.501 120.400 0.005 0.000 2.615 107 K HA 0.106 4.428 4.320 0.003 0.000 0.249 107 K C -1.007 175.555 176.600 -0.064 0.000 0.977 107 K CA -0.637 55.633 56.287 -0.028 0.000 0.833 107 K CB 1.413 33.900 32.500 -0.022 0.000 1.208 107 K HN -0.210 nan 8.250 nan 0.000 0.443 108 D N 2.153 122.509 120.400 -0.072 0.000 2.346 108 D HA 0.093 4.734 4.640 0.003 0.000 0.249 108 D C 0.428 176.646 176.300 -0.136 0.000 1.308 108 D CA -0.320 53.631 54.000 -0.081 0.000 0.987 108 D CB 0.660 41.419 40.800 -0.068 0.000 1.114 108 D HN 0.427 nan 8.370 nan 0.000 0.529 109 I N 1.300 121.802 120.570 -0.114 0.000 2.828 109 I HA -0.050 4.122 4.170 0.003 0.000 0.292 109 I C 0.528 176.577 176.117 -0.114 0.000 1.206 109 I CA 1.021 62.253 61.300 -0.114 0.000 1.420 109 I CB -1.031 36.914 38.000 -0.092 0.000 1.368 109 I HN 0.130 nan 8.210 nan 0.000 0.556 110 T N 8.398 122.816 114.554 -0.226 0.000 2.893 110 T HA 0.413 4.765 4.350 0.003 0.000 0.293 110 T C -2.481 172.152 174.700 -0.111 0.000 1.027 110 T CA -1.290 60.671 62.100 -0.232 0.000 0.988 110 T CB 2.426 70.969 68.868 -0.543 0.000 1.043 110 T HN 0.348 nan 8.240 nan 0.000 0.461 111 P HA 0.220 nan 4.420 nan 0.000 0.271 111 P C -0.377 176.902 177.300 -0.034 0.000 1.216 111 P CA -0.438 62.411 63.100 -0.419 0.000 0.776 111 P CB 0.657 32.143 31.700 -0.356 0.000 0.881 112 L N 1.976 123.185 121.223 -0.025 0.000 2.456 112 L HA 0.085 4.427 4.340 0.003 0.000 0.272 112 L C 1.399 178.277 176.870 0.013 0.000 1.189 112 L CA 0.103 54.975 54.840 0.054 0.000 0.846 112 L CB -0.135 41.918 42.059 -0.009 0.000 1.111 112 L HN 0.421 nan 8.230 nan 0.000 0.475 113 Q N 2.093 121.915 119.800 0.036 0.000 2.296 113 Q HA 0.210 4.552 4.340 0.003 0.000 0.263 113 Q C -0.752 175.282 176.000 0.057 0.000 1.026 113 Q CA -0.318 55.515 55.803 0.049 0.000 0.912 113 Q CB 1.446 30.227 28.738 0.071 0.000 1.198 113 Q HN 0.478 nan 8.270 nan 0.000 0.407 114 V N 5.812 125.754 119.914 0.048 0.000 2.432 114 V HA 0.329 4.451 4.120 0.003 0.000 0.275 114 V C -0.674 175.473 176.094 0.089 0.000 1.043 114 V CA -0.351 61.991 62.300 0.071 0.000 0.925 114 V CB 1.352 33.201 31.823 0.044 0.000 0.985 114 V HN 0.593 nan 8.190 nan 0.000 0.466 115 V N 8.295 128.298 119.914 0.148 0.000 2.398 115 V HA 0.440 4.562 4.120 0.003 0.000 0.286 115 V C 0.255 176.402 176.094 0.089 0.000 1.026 115 V CA -0.538 61.849 62.300 0.144 0.000 0.868 115 V CB 1.310 33.304 31.823 0.286 0.000 0.982 115 V HN 0.747 nan 8.190 nan 0.000 0.443 116 L N 6.635 127.886 121.223 0.048 0.000 2.439 116 L HA 0.481 4.823 4.340 0.003 0.000 0.259 116 L C -1.999 174.874 176.870 0.005 0.000 1.129 116 L CA -1.893 52.962 54.840 0.024 0.000 0.803 116 L CB 1.350 43.419 42.059 0.016 0.000 1.161 116 L HN 0.399 nan 8.230 nan 0.000 0.462 117 P HA 0.002 nan 4.420 nan 0.000 0.269 117 P C -0.576 176.711 177.300 -0.023 0.000 1.215 117 P CA 0.037 63.125 63.100 -0.020 0.000 0.780 117 P CB 0.336 32.027 31.700 -0.015 0.000 0.898 118 N N -1.745 116.933 118.700 -0.037 0.000 2.714 118 N HA -0.145 4.597 4.740 0.003 0.000 0.250 118 N C -0.069 175.417 175.510 -0.040 0.000 1.117 118 N CA 1.772 54.797 53.050 -0.042 0.000 0.719 118 N CB -1.932 36.539 38.487 -0.027 0.000 1.081 118 N HN 0.767 nan 8.380 nan 0.000 0.557 119 T N -4.093 110.438 114.554 -0.038 0.000 2.883 119 T HA 0.903 5.255 4.350 0.003 0.000 0.296 119 T C -0.893 173.787 174.700 -0.034 0.000 1.117 119 T CA -0.205 61.876 62.100 -0.031 0.000 1.006 119 T CB 2.880 71.742 68.868 -0.010 0.000 1.191 119 T HN 0.496 nan 8.240 nan 0.000 0.508 120 A N 1.495 124.298 122.820 -0.028 0.000 2.566 120 A HA 0.648 4.970 4.320 0.003 0.000 0.297 120 A C -1.620 175.955 177.584 -0.015 0.000 1.059 120 A CA -0.832 51.195 52.037 -0.017 0.000 0.691 120 A CB 1.165 20.133 19.000 -0.054 0.000 1.282 120 A HN 0.754 nan 8.150 nan 0.000 0.401 121 L N 2.579 123.803 121.223 0.002 0.000 2.331 121 L HA 0.269 4.611 4.340 0.003 0.000 0.278 121 L C 0.825 177.627 176.870 -0.112 0.000 1.106 121 L CA 0.444 55.219 54.840 -0.108 0.000 0.824 121 L CB 0.340 42.219 42.059 -0.300 0.000 1.142 121 L HN 0.788 nan 8.230 nan 0.000 0.443 122 H N 4.905 123.834 119.070 -0.235 0.000 2.911 122 H HA 0.352 4.910 4.556 0.003 0.000 0.273 122 H C -0.936 174.167 175.328 -0.375 0.000 1.157 122 H CA -0.687 55.201 56.048 -0.267 0.000 1.402 122 H CB 0.416 30.067 29.762 -0.184 0.000 1.463 122 H HN 0.453 nan 8.280 nan 0.000 0.475 123 L N 4.930 125.824 121.223 -0.548 0.000 2.309 123 L HA 0.310 4.651 4.340 0.003 0.000 0.282 123 L C -0.209 176.108 176.870 -0.921 0.000 1.036 123 L CA -0.635 53.686 54.840 -0.866 0.000 0.806 123 L CB 1.558 42.862 42.059 -1.258 0.000 1.220 123 L HN 0.492 nan 8.230 nan 0.000 0.429 124 K N 2.390 122.415 120.400 -0.624 0.000 2.270 124 K HA 0.665 4.986 4.320 0.003 0.000 0.255 124 K C -0.773 175.771 176.600 -0.094 0.000 0.936 124 K CA -0.356 55.740 56.287 -0.318 0.000 0.809 124 K CB 1.962 34.315 32.500 -0.244 0.000 1.131 124 K HN 0.579 nan 8.250 nan 0.000 0.427 125 A N 5.415 128.356 122.820 0.202 0.000 2.347 125 A HA 0.277 4.599 4.320 0.003 0.000 0.287 125 A C 0.570 178.275 177.584 0.201 0.000 1.199 125 A CA -0.320 51.946 52.037 0.382 0.000 0.851 125 A CB -0.291 19.048 19.000 0.566 0.000 1.118 125 A HN 0.920 nan 8.150 nan 0.000 0.525 126 L N 1.916 123.219 121.223 0.132 0.000 2.179 126 L HA 0.042 4.384 4.340 0.003 0.000 0.208 126 L C 0.171 177.101 176.870 0.099 0.000 1.096 126 L CA 0.736 55.621 54.840 0.074 0.000 0.779 126 L CB -0.589 41.483 42.059 0.022 0.000 0.922 126 L HN 0.793 nan 8.230 nan 0.000 0.443 127 L N -5.778 115.535 121.223 0.151 0.000 2.828 127 L HA 0.545 4.887 4.340 0.003 0.000 0.264 127 L C -1.335 175.696 176.870 0.269 0.000 1.106 127 L CA -1.190 53.745 54.840 0.159 0.000 0.955 127 L CB 0.163 42.284 42.059 0.103 0.000 1.558 127 L HN -0.344 nan 8.230 nan 0.000 0.386 128 D N 1.108 121.631 120.400 0.204 0.000 2.351 128 D HA 0.592 5.233 4.640 0.003 0.000 0.251 128 D C -0.624 175.858 176.300 0.304 0.000 1.137 128 D CA 0.862 54.979 54.000 0.195 0.000 0.879 128 D CB 0.656 41.513 40.800 0.094 0.000 1.181 128 D HN 0.622 nan 8.370 nan 0.000 0.448 129 F N -1.869 118.095 119.950 0.024 0.000 2.719 129 F HA 0.421 4.950 4.527 0.003 0.000 0.309 129 F C -1.028 174.767 175.800 -0.008 0.000 1.138 129 F CA -1.181 56.826 58.000 0.013 0.000 0.943 129 F CB 1.222 40.238 39.000 0.028 0.000 1.304 129 F HN -0.010 nan 8.300 nan 0.000 0.445 130 E N 2.331 122.504 120.200 -0.045 0.000 2.146 130 E HA 0.226 4.578 4.350 0.003 0.000 0.282 130 E C -0.939 175.626 176.600 -0.058 0.000 0.989 130 E CA -0.838 55.468 56.400 -0.156 0.000 0.799 130 E CB 1.212 30.884 29.700 -0.048 0.000 1.088 130 E HN 0.645 nan 8.360 nan 0.000 0.397 131 D N 2.144 122.414 120.400 -0.216 0.000 2.414 131 D HA -0.000 4.642 4.640 0.003 0.000 0.259 131 D C 0.622 176.931 176.300 0.014 0.000 1.269 131 D CA -0.277 53.717 54.000 -0.011 0.000 1.028 131 D CB 0.694 41.423 40.800 -0.118 0.000 1.093 131 D HN 0.145 nan 8.370 nan 0.000 0.545 132 K N -0.950 119.477 120.400 0.044 0.000 2.283 132 K HA -0.038 4.284 4.320 0.003 0.000 0.202 132 K C 1.286 177.888 176.600 0.002 0.000 1.048 132 K CA 0.599 56.905 56.287 0.031 0.000 0.948 132 K CB -0.196 32.332 32.500 0.046 0.000 0.742 132 K HN 0.325 nan 8.250 nan 0.000 0.458 133 N N 0.098 118.786 118.700 -0.020 0.000 2.396 133 N HA -0.067 4.675 4.740 0.003 0.000 0.180 133 N C 1.255 176.741 175.510 -0.041 0.000 1.028 133 N CA 1.304 54.334 53.050 -0.032 0.000 0.893 133 N CB 0.474 38.931 38.487 -0.050 0.000 0.967 133 N HN 0.420 nan 8.380 nan 0.000 0.440 134 G N 0.382 109.151 108.800 -0.052 0.000 2.176 134 G HA2 -0.197 3.764 3.960 0.003 0.000 0.232 134 G HA3 -0.197 3.764 3.960 0.003 0.000 0.232 134 G C -0.645 174.204 174.900 -0.086 0.000 0.986 134 G CA -0.192 44.875 45.100 -0.055 0.000 0.643 134 G HN 0.233 nan 8.290 nan 0.000 0.522 135 D N 1.483 121.812 120.400 -0.120 0.000 2.350 135 D HA 0.329 4.971 4.640 0.003 0.000 0.249 135 D C 0.633 176.803 176.300 -0.217 0.000 1.119 135 D CA 0.206 54.114 54.000 -0.153 0.000 0.886 135 D CB 0.822 41.519 40.800 -0.173 0.000 1.195 135 D HN 0.207 nan 8.370 nan 0.000 0.437 136 K N 1.441 121.729 120.400 -0.186 0.000 2.349 136 K HA 0.254 4.576 4.320 0.003 0.000 0.288 136 K C -0.348 176.081 176.600 -0.286 0.000 1.058 136 K CA -0.457 55.704 56.287 -0.210 0.000 0.953 136 K CB 1.065 33.491 32.500 -0.123 0.000 0.997 136 K HN 0.161 nan 8.250 nan 0.000 0.477 137 V N 4.611 124.248 119.914 -0.462 0.000 2.532 137 V HA 0.338 4.460 4.120 0.003 0.000 0.295 137 V C 0.233 176.194 176.094 -0.222 0.000 1.041 137 V CA -0.826 61.192 62.300 -0.471 0.000 0.926 137 V CB 1.575 32.841 31.823 -0.927 0.000 0.992 137 V HN 0.646 nan 8.190 nan 0.000 0.457 138 M N 2.767 122.329 119.600 -0.063 0.000 2.537 138 M HA 0.568 5.050 4.480 0.003 0.000 0.324 138 M C 0.280 176.657 176.300 0.129 0.000 1.187 138 M CA -0.638 54.683 55.300 0.035 0.000 0.993 138 M CB 1.565 34.184 32.600 0.031 0.000 1.666 138 M HN 0.748 nan 8.290 nan 0.000 0.461 139 A N 1.116 124.016 122.820 0.134 0.000 2.546 139 A HA 0.442 4.764 4.320 0.003 0.000 0.243 139 A C 1.243 178.912 177.584 0.142 0.000 1.063 139 A CA 0.969 53.097 52.037 0.152 0.000 0.757 139 A CB -0.688 18.379 19.000 0.112 0.000 0.991 139 A HN 1.338 nan 8.150 nan 0.000 0.503 140 G N 2.132 111.028 108.800 0.160 0.000 2.241 140 G HA2 -0.209 3.753 3.960 0.003 0.000 0.244 140 G HA3 -0.209 3.753 3.960 0.003 0.000 0.244 140 G C 0.035 175.059 174.900 0.206 0.000 0.998 140 G CA 0.347 45.535 45.100 0.146 0.000 0.621 140 G HN 0.855 nan 8.290 nan 0.000 0.519 141 D N 1.609 122.169 120.400 0.267 0.000 2.419 141 D HA 0.486 5.128 4.640 0.003 0.000 0.236 141 D C 0.678 177.255 176.300 0.461 0.000 1.165 141 D CA 0.705 54.924 54.000 0.365 0.000 0.882 141 D CB 0.488 41.493 40.800 0.341 0.000 1.201 141 D HN 0.597 nan 8.370 nan 0.000 0.443 142 E N 0.409 120.906 120.200 0.496 0.000 2.292 142 E HA 0.593 4.945 4.350 0.003 0.000 0.272 142 E C -0.910 175.924 176.600 0.390 0.000 0.881 142 E CA -0.970 55.621 56.400 0.318 0.000 0.754 142 E CB 2.058 31.902 29.700 0.240 0.000 1.201 142 E HN 0.532 nan 8.360 nan 0.000 0.425 143 W N 1.411 122.729 121.300 0.030 0.000 2.959 143 W HA 0.639 5.300 4.660 0.003 0.000 0.358 143 W C -2.296 174.244 176.519 0.036 0.000 1.228 143 W CA -0.985 56.357 57.345 -0.006 0.000 1.183 143 W CB 0.391 29.873 29.460 0.037 0.000 1.467 143 W HN 0.250 nan 8.180 nan 0.000 0.578 144 L N 2.416 123.732 121.223 0.155 0.000 2.329 144 L HA 0.491 4.833 4.340 0.003 0.000 0.279 144 L C -0.798 176.180 176.870 0.180 0.000 1.014 144 L CA -0.837 54.029 54.840 0.044 0.000 0.814 144 L CB 1.221 43.275 42.059 -0.008 0.000 1.257 144 L HN 0.472 nan 8.230 nan 0.000 0.424 145 F N 3.262 123.180 119.950 -0.053 0.000 2.303 145 F HA 0.346 4.875 4.527 0.003 0.000 0.368 145 F C 0.545 176.335 175.800 -0.018 0.000 1.105 145 F CA -0.448 57.557 58.000 0.008 0.000 1.153 145 F CB 0.455 39.416 39.000 -0.066 0.000 1.362 145 F HN 0.552 nan 8.300 nan 0.000 0.511 146 E N 4.151 124.164 120.200 -0.311 0.000 2.259 146 E HA 0.400 4.752 4.350 0.003 0.000 0.281 146 E C 0.505 176.882 176.600 -0.372 0.000 1.037 146 E CA -0.422 55.827 56.400 -0.251 0.000 0.854 146 E CB 0.839 30.434 29.700 -0.174 0.000 1.051 146 E HN 0.822 nan 8.360 nan 0.000 0.409 147 G N 4.469 113.157 108.800 -0.187 0.000 2.651 147 G HA2 0.239 4.201 3.960 0.003 0.000 0.260 147 G HA3 0.239 4.201 3.960 0.003 0.000 0.260 147 G C -2.247 172.589 174.900 -0.107 0.000 1.216 147 G CA -0.957 44.070 45.100 -0.121 0.000 0.913 147 G HN 0.510 nan 8.290 nan 0.000 0.535 148 P HA 0.522 nan 4.420 nan 0.000 0.277 148 P C 0.076 177.377 177.300 0.002 0.000 1.240 148 P CA 0.067 63.159 63.100 -0.013 0.000 0.798 148 P CB 1.679 33.378 31.700 -0.000 0.000 0.979 149 G N -0.053 108.809 108.800 0.103 0.000 2.328 149 G HA2 0.340 4.302 3.960 0.003 0.000 0.299 149 G HA3 0.340 4.302 3.960 0.003 0.000 0.299 149 G C -1.705 173.375 174.900 0.301 0.000 1.435 149 G CA -0.564 44.663 45.100 0.210 0.000 0.865 149 G HN 0.426 nan 8.290 nan 0.000 0.601 150 T N 1.065 115.779 114.554 0.267 0.000 2.788 150 T HA 0.424 4.776 4.350 0.003 0.000 0.296 150 T C -0.784 173.969 174.700 0.089 0.000 1.009 150 T CA -0.129 62.066 62.100 0.158 0.000 0.949 150 T CB 0.826 69.737 68.868 0.073 0.000 0.946 150 T HN 0.547 nan 8.240 nan 0.000 0.453 151 Y N 5.589 125.761 120.300 -0.212 0.000 2.496 151 Y HA 0.309 4.861 4.550 0.003 0.000 0.334 151 Y C -0.127 175.544 175.900 -0.382 0.000 1.080 151 Y CA -1.291 56.443 58.100 -0.611 0.000 1.355 151 Y CB 0.172 38.171 38.460 -0.768 0.000 1.193 151 Y HN 0.419 nan 8.280 nan 0.000 0.523 152 I N 9.795 129.828 120.570 -0.895 0.000 2.396 152 I HA 0.167 4.338 4.170 0.003 0.000 0.289 152 I C -2.089 173.251 176.117 -1.295 0.000 1.056 152 I CA -2.658 58.155 61.300 -0.811 0.000 1.365 152 I CB 0.579 38.306 38.000 -0.454 0.000 1.407 152 I HN 0.529 nan 8.210 nan 0.000 0.509 153 P HA 0.164 nan 4.420 nan 0.000 0.271 153 P C -1.156 175.830 177.300 -0.523 0.000 1.218 153 P CA -0.365 62.246 63.100 -0.815 0.000 0.780 153 P CB 0.715 31.905 31.700 -0.849 0.000 0.901 154 Q N 1.088 120.700 119.800 -0.312 0.000 2.340 154 Q HA 0.222 4.564 4.340 0.003 0.000 0.268 154 Q C 1.107 177.000 176.000 -0.178 0.000 1.031 154 Q CA -0.825 54.841 55.803 -0.228 0.000 0.804 154 Q CB 2.114 30.743 28.738 -0.182 0.000 1.286 154 Q HN 0.401 nan 8.270 nan 0.000 0.448 155 K N 0.483 120.781 120.400 -0.171 0.000 2.280 155 K HA -0.162 4.160 4.320 0.003 0.000 0.202 155 K C 0.399 176.907 176.600 -0.153 0.000 1.047 155 K CA 1.574 57.785 56.287 -0.126 0.000 0.942 155 K CB 0.187 32.629 32.500 -0.096 0.000 0.739 155 K HN 0.443 nan 8.250 nan 0.000 0.457 156 E N 0.627 120.660 120.200 -0.279 0.000 2.447 156 E HA 0.094 4.446 4.350 0.003 0.000 0.195 156 E C -0.499 175.966 176.600 -0.226 0.000 1.028 156 E CA 0.072 56.263 56.400 -0.348 0.000 0.876 156 E CB 0.799 29.990 29.700 -0.849 0.000 0.885 156 E HN 0.026 nan 8.360 nan 0.000 0.500 157 V N 1.966 121.784 119.914 -0.161 0.000 2.588 157 V HA 0.252 4.374 4.120 0.003 0.000 0.304 157 V C -0.394 175.658 176.094 -0.070 0.000 1.042 157 V CA -1.092 61.179 62.300 -0.048 0.000 0.877 157 V CB 1.836 33.696 31.823 0.062 0.000 0.996 157 V HN 0.155 nan 8.190 nan 0.000 0.425 158 E N 3.607 123.740 120.200 -0.111 0.000 2.212 158 E HA 0.687 5.039 4.350 0.003 0.000 0.270 158 E C -1.353 175.116 176.600 -0.218 0.000 0.956 158 E CA -0.854 55.471 56.400 -0.124 0.000 0.825 158 E CB 2.190 31.830 29.700 -0.100 0.000 1.167 158 E HN 0.309 nan 8.360 nan 0.000 0.400 159 V N 4.179 123.977 119.914 -0.193 0.000 2.353 159 V HA 0.016 4.138 4.120 0.003 0.000 0.264 159 V C 0.986 176.957 176.094 -0.205 0.000 1.049 159 V CA -0.400 61.749 62.300 -0.252 0.000 0.896 159 V CB 0.782 32.472 31.823 -0.221 0.000 1.025 159 V HN 0.756 nan 8.190 nan 0.000 0.475 160 V N 3.978 123.725 119.914 -0.277 0.000 2.379 160 V HA -0.028 4.093 4.120 0.003 0.000 0.245 160 V C 0.844 176.874 176.094 -0.107 0.000 1.044 160 V CA 1.636 63.801 62.300 -0.224 0.000 1.036 160 V CB -0.547 31.033 31.823 -0.404 0.000 0.664 160 V HN 1.072 nan 8.190 nan 0.000 0.453 161 E N -1.209 118.947 120.200 -0.074 0.000 2.388 161 E HA 0.424 4.776 4.350 0.003 0.000 0.280 161 E C -1.476 175.111 176.600 -0.021 0.000 1.019 161 E CA -0.842 55.550 56.400 -0.014 0.000 0.806 161 E CB 1.468 31.196 29.700 0.046 0.000 1.246 161 E HN 0.137 nan 8.360 nan 0.000 0.443 162 I N 2.303 122.857 120.570 -0.027 0.000 2.371 162 I HA 0.273 4.445 4.170 0.003 0.000 0.290 162 I C -0.075 176.029 176.117 -0.022 0.000 1.028 162 I CA -0.649 60.634 61.300 -0.029 0.000 1.345 162 I CB 0.561 38.546 38.000 -0.025 0.000 1.407 162 I HN 0.398 nan 8.210 nan 0.000 0.501 163 I N 6.289 126.841 120.570 -0.031 0.000 2.321 163 I HA 0.207 4.379 4.170 0.003 0.000 0.291 163 I C -0.005 176.089 176.117 -0.040 0.000 0.998 163 I CA -0.459 60.815 61.300 -0.044 0.000 1.227 163 I CB 1.381 39.336 38.000 -0.077 0.000 1.368 163 I HN 0.554 nan 8.210 nan 0.000 0.466 164 Q N 4.402 124.183 119.800 -0.031 0.000 2.222 164 Q HA 0.645 4.986 4.340 0.003 0.000 0.252 164 Q C -0.406 175.579 176.000 -0.025 0.000 0.926 164 Q CA -0.410 55.378 55.803 -0.025 0.000 0.899 164 Q CB 1.867 30.596 28.738 -0.015 0.000 1.250 164 Q HN 0.748 nan 8.270 nan 0.000 0.441 165 A N 1.894 124.701 122.820 -0.023 0.000 2.351 165 A HA 0.541 4.863 4.320 0.003 0.000 0.257 165 A C -0.493 177.101 177.584 0.017 0.000 1.087 165 A CA -0.273 51.757 52.037 -0.012 0.000 0.798 165 A CB 0.491 19.479 19.000 -0.020 0.000 1.033 165 A HN 0.718 nan 8.150 nan 0.000 0.488 166 T N 1.195 115.783 114.554 0.056 0.000 2.794 166 T HA 0.404 4.756 4.350 0.003 0.000 0.280 166 T C -0.236 174.501 174.700 0.061 0.000 0.987 166 T CA -0.295 61.837 62.100 0.052 0.000 0.993 166 T CB 1.261 70.163 68.868 0.057 0.000 0.939 166 T HN 0.672 nan 8.240 nan 0.000 0.449 167 V N 5.661 125.593 119.914 0.031 0.000 2.498 167 V HA 0.483 4.605 4.120 0.003 0.000 0.279 167 V C -0.504 175.599 176.094 0.015 0.000 1.048 167 V CA -0.529 61.787 62.300 0.027 0.000 0.967 167 V CB 0.161 31.993 31.823 0.015 0.000 0.988 167 V HN 0.762 nan 8.190 nan 0.000 0.473 168 I N 7.735 128.315 120.570 0.017 0.000 2.354 168 I HA 0.429 4.601 4.170 0.003 0.000 0.286 168 I C 0.337 176.452 176.117 -0.003 0.000 1.007 168 I CA -0.587 60.709 61.300 -0.006 0.000 1.167 168 I CB 1.277 39.266 38.000 -0.019 0.000 1.320 168 I HN 0.570 nan 8.210 nan 0.000 0.458 169 K N 3.225 123.620 120.400 -0.009 0.000 2.140 169 K HA 0.120 4.441 4.320 0.003 0.000 0.237 169 K C 0.939 177.535 176.600 -0.007 0.000 1.045 169 K CA -0.491 55.793 56.287 -0.005 0.000 0.896 169 K CB 0.514 33.010 32.500 -0.006 0.000 1.122 169 K HN 0.377 nan 8.250 nan 0.000 0.503 170 Q N 1.133 120.931 119.800 -0.004 0.000 2.012 170 Q HA -0.228 4.113 4.340 0.003 0.000 0.211 170 Q C 0.161 176.156 176.000 -0.008 0.000 1.009 170 Q CA 1.944 57.745 55.803 -0.003 0.000 0.866 170 Q CB -0.154 28.585 28.738 0.001 0.000 0.945 170 Q HN 0.438 nan 8.270 nan 0.000 0.414 171 N N 0.871 119.565 118.700 -0.009 0.000 2.920 171 N HA 0.154 4.896 4.740 0.003 0.000 0.310 171 N C -0.913 174.583 175.510 -0.023 0.000 1.384 171 N CA 0.070 53.112 53.050 -0.013 0.000 1.083 171 N CB 0.669 39.153 38.487 -0.005 0.000 1.389 171 N HN 0.383 nan 8.380 nan 0.000 0.521 172 Q N -0.155 119.627 119.800 -0.030 0.000 2.484 172 Q HA 0.830 5.172 4.340 0.003 0.000 0.285 172 Q C -1.192 174.773 176.000 -0.058 0.000 1.097 172 Q CA -1.026 54.751 55.803 -0.042 0.000 0.802 172 Q CB 2.729 31.444 28.738 -0.037 0.000 1.444 172 Q HN 0.253 nan 8.270 nan 0.000 0.429 173 A N 1.126 123.900 122.820 -0.076 0.000 2.520 173 A HA 0.638 4.960 4.320 0.003 0.000 0.298 173 A C -2.005 175.501 177.584 -0.129 0.000 1.051 173 A CA -0.519 51.457 52.037 -0.102 0.000 0.690 173 A CB 1.385 20.325 19.000 -0.101 0.000 1.281 173 A HN 0.483 nan 8.150 nan 0.000 0.402 174 L N 1.499 122.615 121.223 -0.177 0.000 2.282 174 L HA 0.571 4.913 4.340 0.003 0.000 0.288 174 L C 0.443 177.146 176.870 -0.279 0.000 1.033 174 L CA -0.215 54.499 54.840 -0.210 0.000 0.807 174 L CB 1.058 42.977 42.059 -0.233 0.000 1.209 174 L HN 0.755 nan 8.230 nan 0.000 0.423 175 R N 5.158 125.503 120.500 -0.258 0.000 2.265 175 R HA 0.591 4.932 4.340 0.003 0.000 0.314 175 R C -1.370 174.679 176.300 -0.417 0.000 1.053 175 R CA -0.382 55.523 56.100 -0.325 0.000 0.931 175 R CB 0.453 30.610 30.300 -0.237 0.000 1.024 175 R HN 0.720 nan 8.270 nan 0.000 0.457 176 L N 3.687 124.493 121.223 -0.694 0.000 2.341 176 L HA 0.620 4.962 4.340 0.003 0.000 0.267 176 L C -0.310 176.054 176.870 -0.843 0.000 1.009 176 L CA -1.081 53.270 54.840 -0.815 0.000 0.819 176 L CB 2.163 43.528 42.059 -1.157 0.000 1.323 176 L HN 0.555 nan 8.230 nan 0.000 0.425 177 R N 1.393 121.594 120.500 -0.498 0.000 2.532 177 R HA 0.698 5.039 4.340 0.003 0.000 0.297 177 R C -0.963 175.311 176.300 -0.044 0.000 0.984 177 R CA -0.442 55.512 56.100 -0.244 0.000 0.884 177 R CB 1.908 32.137 30.300 -0.118 0.000 1.182 177 R HN 0.752 nan 8.270 nan 0.000 0.442 178 A N 4.518 127.452 122.820 0.190 0.000 2.404 178 A HA 0.223 4.545 4.320 0.003 0.000 0.273 178 A C 0.703 178.378 177.584 0.151 0.000 1.144 178 A CA -0.450 51.763 52.037 0.293 0.000 0.806 178 A CB 0.465 19.693 19.000 0.379 0.000 1.080 178 A HN 0.894 nan 8.150 nan 0.000 0.509 179 R N 1.737 122.329 120.500 0.153 0.000 2.070 179 R HA -0.049 4.292 4.340 0.003 0.000 0.233 179 R C 0.299 176.601 176.300 0.003 0.000 1.137 179 R CA 1.408 57.568 56.100 0.098 0.000 0.945 179 R CB -0.322 30.088 30.300 0.184 0.000 0.845 179 R HN 0.761 nan 8.270 nan 0.000 0.430 180 K N 0.125 120.468 120.400 -0.095 0.000 2.279 180 K HA 0.239 4.561 4.320 0.003 0.000 0.238 180 K C -0.582 175.912 176.600 -0.176 0.000 1.084 180 K CA -0.910 55.233 56.287 -0.240 0.000 0.885 180 K CB 0.981 33.129 32.500 -0.588 0.000 1.319 180 K HN -0.239 nan 8.250 nan 0.000 0.494 181 E N 0.847 120.925 120.200 -0.203 0.000 2.465 181 E HA 0.012 4.364 4.350 0.003 0.000 0.260 181 E C -0.586 175.877 176.600 -0.229 0.000 0.980 181 E CA 0.304 56.588 56.400 -0.193 0.000 0.927 181 E CB 0.068 29.646 29.700 -0.202 0.000 0.934 181 E HN 0.605 nan 8.360 nan 0.000 0.459 182 C N 1.199 120.363 119.300 -0.227 0.000 3.295 182 C HA 0.640 5.102 4.460 0.003 0.000 0.341 182 C C -1.221 173.557 174.990 -0.354 0.000 1.418 182 C CA -1.305 57.579 59.018 -0.223 0.000 1.240 182 C CB 0.333 28.140 27.740 0.112 0.000 1.562 182 C HN 0.484 nan 8.230 nan 0.000 0.457 183 F N 1.411 121.375 119.950 0.024 0.000 2.397 183 F HA 0.540 5.068 4.527 0.003 0.000 0.331 183 F C 0.869 176.630 175.800 -0.065 0.000 1.090 183 F CA 0.302 58.277 58.000 -0.041 0.000 1.065 183 F CB 0.572 39.565 39.000 -0.012 0.000 1.184 183 F HN 0.760 nan 8.300 nan 0.000 0.499 184 D N 0.582 120.996 120.400 0.024 0.000 2.369 184 D HA 0.042 4.684 4.640 0.003 0.000 0.241 184 D C 1.451 177.805 176.300 0.089 0.000 1.271 184 D CA -0.027 53.905 54.000 -0.113 0.000 0.942 184 D CB 0.728 41.342 40.800 -0.310 0.000 1.129 184 D HN 0.412 nan 8.370 nan 0.000 0.476 185 R N 0.230 120.835 120.500 0.176 0.000 2.115 185 R HA -0.055 4.287 4.340 0.003 0.000 0.230 185 R C 0.873 177.240 176.300 0.113 0.000 1.111 185 R CA 1.548 57.770 56.100 0.203 0.000 0.976 185 R CB -0.302 30.219 30.300 0.369 0.000 0.870 185 R HN 0.387 nan 8.270 nan 0.000 0.445 186 D N -1.395 119.046 120.400 0.069 0.000 2.347 186 D HA 0.133 4.775 4.640 0.003 0.000 0.213 186 D C 0.855 177.152 176.300 -0.004 0.000 0.985 186 D CA 1.163 55.181 54.000 0.029 0.000 0.879 186 D CB 0.489 41.300 40.800 0.018 0.000 0.919 186 D HN 0.465 nan 8.370 nan 0.000 0.526 187 G N 0.906 109.704 108.800 -0.004 0.000 2.179 187 G HA2 -0.247 3.715 3.960 0.003 0.000 0.220 187 G HA3 -0.247 3.715 3.960 0.003 0.000 0.220 187 G C 0.268 175.165 174.900 -0.005 0.000 0.990 187 G CA -0.371 44.707 45.100 -0.037 0.000 0.646 187 G HN 0.266 nan 8.290 nan 0.000 0.517 188 K N 1.086 121.476 120.400 -0.016 0.000 2.295 188 K HA 0.383 4.704 4.320 0.003 0.000 0.270 188 K C 0.390 177.010 176.600 0.033 0.000 1.011 188 K CA -0.141 56.135 56.287 -0.018 0.000 0.953 188 K CB 0.774 33.216 32.500 -0.096 0.000 0.956 188 K HN 0.437 nan 8.250 nan 0.000 0.477 189 E N 2.319 122.565 120.200 0.077 0.000 2.373 189 E HA 0.073 4.424 4.350 0.003 0.000 0.267 189 E C -0.385 176.153 176.600 -0.104 0.000 1.032 189 E CA -0.057 56.377 56.400 0.056 0.000 0.889 189 E CB 0.669 30.413 29.700 0.074 0.000 0.984 189 E HN 0.140 nan 8.360 nan 0.000 0.425 190 R N 1.777 122.175 120.500 -0.170 0.000 2.514 190 R HA 0.238 4.580 4.340 0.003 0.000 0.296 190 R C -0.522 175.727 176.300 -0.085 0.000 1.012 190 R CA -0.694 55.306 56.100 -0.167 0.000 0.897 190 R CB 1.073 31.165 30.300 -0.347 0.000 1.184 190 R HN 0.478 nan 8.270 nan 0.000 0.440 191 V N -0.320 119.582 119.914 -0.020 0.000 3.264 191 V HA 0.400 4.522 4.120 0.003 0.000 0.304 191 V C 0.600 176.714 176.094 0.032 0.000 1.086 191 V CA -0.483 61.812 62.300 -0.009 0.000 1.090 191 V CB 0.616 32.443 31.823 0.008 0.000 1.112 191 V HN 0.614 nan 8.190 nan 0.000 0.472 192 T N 2.165 116.725 114.554 0.010 0.000 2.888 192 T HA 0.474 4.826 4.350 0.003 0.000 0.301 192 T C 1.224 175.957 174.700 0.055 0.000 1.001 192 T CA 1.111 63.224 62.100 0.023 0.000 1.147 192 T CB 0.262 69.122 68.868 -0.013 0.000 0.931 192 T HN 1.975 nan 8.240 nan 0.000 0.541 193 G N 2.846 111.692 108.800 0.077 0.000 2.205 193 G HA2 -0.251 3.711 3.960 0.003 0.000 0.261 193 G HA3 -0.251 3.711 3.960 0.003 0.000 0.261 193 G C 0.070 175.034 174.900 0.107 0.000 0.980 193 G CA 0.346 45.490 45.100 0.073 0.000 0.632 193 G HN 0.811 nan 8.290 nan 0.000 0.533 194 E N 0.881 121.184 120.200 0.171 0.000 2.398 194 E HA 0.462 4.814 4.350 0.003 0.000 0.263 194 E C 0.051 176.834 176.600 0.304 0.000 1.046 194 E CA -0.026 56.518 56.400 0.240 0.000 0.908 194 E CB 0.305 30.160 29.700 0.259 0.000 0.963 194 E HN 0.517 nan 8.360 nan 0.000 0.431 195 E N 2.999 123.337 120.200 0.230 0.000 2.238 195 E HA 0.454 4.806 4.350 0.003 0.000 0.267 195 E C -1.331 175.365 176.600 0.160 0.000 0.887 195 E CA -0.697 55.739 56.400 0.059 0.000 0.769 195 E CB 1.245 30.878 29.700 -0.112 0.000 1.187 195 E HN 0.501 nan 8.360 nan 0.000 0.416 196 W N 1.295 122.521 121.300 -0.124 0.000 3.018 196 W HA 0.664 5.325 4.660 0.002 0.000 0.352 196 W C -2.138 174.297 176.519 -0.140 0.000 1.230 196 W CA -1.033 56.227 57.345 -0.141 0.000 1.162 196 W CB 0.396 29.819 29.460 -0.063 0.000 1.483 196 W HN 0.223 nan 8.180 nan 0.000 0.584 197 L N 2.069 123.314 121.223 0.037 0.000 2.334 197 L HA 0.631 4.973 4.340 0.003 0.000 0.276 197 L C -0.338 176.530 176.870 -0.003 0.000 1.014 197 L CA -1.094 53.690 54.840 -0.092 0.000 0.815 197 L CB 1.857 43.867 42.059 -0.083 0.000 1.268 197 L HN 0.391 nan 8.230 nan 0.000 0.428 198 V N 4.278 124.097 119.914 -0.158 0.000 2.350 198 V HA 0.393 4.515 4.120 0.003 0.000 0.276 198 V C 0.955 176.965 176.094 -0.140 0.000 1.028 198 V CA -0.446 61.744 62.300 -0.183 0.000 0.860 198 V CB 1.051 32.549 31.823 -0.541 0.000 0.990 198 V HN 0.686 nan 8.190 nan 0.000 0.453 199 R N 1.590 122.051 120.500 -0.066 0.000 2.308 199 R HA 0.163 4.505 4.340 0.003 0.000 0.202 199 R C 0.725 177.008 176.300 -0.028 0.000 0.898 199 R CA -0.093 55.979 56.100 -0.047 0.000 1.046 199 R CB 0.358 30.643 30.300 -0.025 0.000 1.026 199 R HN 0.610 nan 8.270 nan 0.000 0.512 200 S N 1.636 117.327 115.700 -0.015 0.000 2.596 200 S HA 0.020 4.492 4.470 0.003 0.000 0.298 200 S C 0.320 174.932 174.600 0.020 0.000 1.255 200 S CA -0.106 58.107 58.200 0.022 0.000 1.083 200 S CB 0.812 64.056 63.200 0.073 0.000 0.837 200 S HN -0.048 nan 8.310 nan 0.000 0.499 201 V N 4.080 124.006 119.914 0.020 0.000 2.686 201 V HA 0.653 4.775 4.120 0.003 0.000 0.295 201 V C 1.050 177.165 176.094 0.035 0.000 1.055 201 V CA 0.893 63.204 62.300 0.018 0.000 1.050 201 V CB 0.226 32.057 31.823 0.012 0.000 0.984 201 V HN 1.226 nan 8.190 nan 0.000 0.482 202 G N 3.291 112.112 108.800 0.035 0.000 2.362 202 G HA2 0.338 4.300 3.960 0.003 0.000 0.517 202 G HA3 0.338 4.300 3.960 0.003 0.000 0.517 202 G C -0.366 174.570 174.900 0.061 0.000 1.256 202 G CA -0.334 44.791 45.100 0.042 0.000 1.027 202 G HN 1.424 nan 8.290 nan 0.000 0.491 203 A N -0.452 122.402 122.820 0.056 0.000 2.404 203 A HA 0.601 4.923 4.320 0.003 0.000 0.273 203 A C -0.563 177.084 177.584 0.106 0.000 1.144 203 A CA 0.166 52.241 52.037 0.063 0.000 0.806 203 A CB 0.230 19.245 19.000 0.026 0.000 1.080 203 A HN 1.853 nan 8.150 nan 0.000 0.509 204 Y N 3.325 123.620 120.300 -0.008 0.000 2.356 204 Y HA 0.493 5.045 4.550 0.004 0.000 0.334 204 Y C -0.646 175.248 175.900 -0.010 0.000 0.958 204 Y CA -1.039 57.059 58.100 -0.003 0.000 1.196 204 Y CB 1.226 39.686 38.460 -0.001 0.000 1.137 204 Y HN 0.595 nan 8.280 nan 0.000 0.485 205 L N 10.304 131.287 121.223 -0.400 0.000 2.283 205 L HA 0.518 4.860 4.340 0.003 0.000 0.287 205 L C -2.331 174.212 176.870 -0.546 0.000 1.073 205 L CA -2.107 52.533 54.840 -0.333 0.000 0.822 205 L CB 0.284 42.208 42.059 -0.226 0.000 1.186 205 L HN 0.480 nan 8.230 nan 0.000 0.436 206 P HA 0.253 nan 4.420 nan 0.000 0.274 206 P C -0.882 176.339 177.300 -0.132 0.000 1.237 206 P CA -0.527 62.484 63.100 -0.149 0.000 0.793 206 P CB 0.897 32.625 31.700 0.046 0.000 0.977 207 A N 1.809 124.610 122.820 -0.032 0.000 2.296 207 A HA 0.126 4.447 4.320 0.003 0.000 0.264 207 A C 1.591 179.097 177.584 -0.129 0.000 1.097 207 A CA -0.284 51.727 52.037 -0.044 0.000 0.811 207 A CB -0.257 18.785 19.000 0.070 0.000 1.072 207 A HN 0.418 nan 8.150 nan 0.000 0.495 208 V N -0.531 119.223 119.914 -0.266 0.000 2.469 208 V HA -0.155 3.967 4.120 0.003 0.000 0.251 208 V C 1.203 176.991 176.094 -0.511 0.000 1.064 208 V CA 2.187 64.170 62.300 -0.528 0.000 1.066 208 V CB -0.731 30.671 31.823 -0.702 0.000 0.667 208 V HN 0.707 nan 8.190 nan 0.000 0.461 209 F N 0.057 120.020 119.950 0.022 0.000 2.653 209 F HA 0.413 4.941 4.527 0.003 0.000 0.304 209 F C 0.957 176.805 175.800 0.081 0.000 1.092 209 F CA -0.919 57.110 58.000 0.048 0.000 1.279 209 F CB -0.055 38.989 39.000 0.074 0.000 1.044 209 F HN 0.183 nan 8.300 nan 0.000 0.564 210 E N 1.794 122.113 120.200 0.199 0.000 2.105 210 E HA 0.103 4.454 4.350 0.003 0.000 0.285 210 E C -0.103 176.524 176.600 0.044 0.000 1.055 210 E CA -0.213 56.290 56.400 0.173 0.000 0.843 210 E CB 0.755 30.597 29.700 0.237 0.000 1.067 210 E HN 0.228 nan 8.360 nan 0.000 0.398 211 E N 3.345 123.544 120.200 -0.001 0.000 2.152 211 E HA 0.119 4.471 4.350 0.003 0.000 0.285 211 E C -0.803 175.738 176.600 -0.097 0.000 1.043 211 E CA -0.547 55.829 56.400 -0.041 0.000 0.839 211 E CB 0.824 30.506 29.700 -0.031 0.000 1.069 211 E HN 0.184 nan 8.360 nan 0.000 0.399 212 V N 7.203 127.074 119.914 -0.070 0.000 2.439 212 V HA 0.031 4.152 4.120 0.003 0.000 0.271 212 V C 0.962 176.999 176.094 -0.095 0.000 1.040 212 V CA 0.217 62.466 62.300 -0.084 0.000 1.002 212 V CB 0.584 32.385 31.823 -0.035 0.000 1.000 212 V HN 0.789 nan 8.190 nan 0.000 0.477 213 L N 3.533 124.676 121.223 -0.133 0.000 2.597 213 L HA 0.412 4.754 4.340 0.003 0.000 0.188 213 L C 0.178 176.988 176.870 -0.100 0.000 1.333 213 L CA 0.011 54.782 54.840 -0.117 0.000 1.543 213 L CB 0.179 42.152 42.059 -0.144 0.000 1.504 213 L HN 0.794 nan 8.230 nan 0.000 0.813 214 D N -0.930 119.402 120.400 -0.114 0.000 2.547 214 D HA 0.449 5.091 4.640 0.003 0.000 0.231 214 D C -0.816 175.423 176.300 -0.101 0.000 1.099 214 D CA -0.536 53.409 54.000 -0.092 0.000 0.901 214 D CB 1.192 41.944 40.800 -0.080 0.000 1.478 214 D HN -0.009 nan 8.370 nan 0.000 0.471 215 L N 0.380 121.555 121.223 -0.079 0.000 2.397 215 L HA 0.479 4.821 4.340 0.003 0.000 0.271 215 L C -0.415 176.411 176.870 -0.073 0.000 1.148 215 L CA -0.877 53.917 54.840 -0.077 0.000 0.825 215 L CB 1.200 43.225 42.059 -0.056 0.000 1.117 215 L HN 0.251 nan 8.230 nan 0.000 0.456 216 V N 2.160 122.028 119.914 -0.077 0.000 2.378 216 V HA 0.239 4.361 4.120 0.003 0.000 0.288 216 V C -0.429 175.633 176.094 -0.054 0.000 1.016 216 V CA -0.940 61.319 62.300 -0.068 0.000 0.840 216 V CB 1.608 33.382 31.823 -0.081 0.000 0.994 216 V HN 0.602 nan 8.190 nan 0.000 0.431 217 D N 3.367 123.743 120.400 -0.040 0.000 2.345 217 D HA 0.458 5.100 4.640 0.003 0.000 0.247 217 D C 0.431 176.718 176.300 -0.021 0.000 1.108 217 D CA 0.126 54.109 54.000 -0.028 0.000 0.894 217 D CB 1.857 42.644 40.800 -0.021 0.000 1.203 217 D HN 0.713 nan 8.370 nan 0.000 0.430 218 A N 1.668 124.479 122.820 -0.015 0.000 2.425 218 A HA 0.286 4.608 4.320 0.003 0.000 0.249 218 A C 0.096 177.692 177.584 0.020 0.000 1.084 218 A CA -0.531 51.507 52.037 0.002 0.000 0.781 218 A CB 0.447 19.447 19.000 0.000 0.000 1.019 218 A HN 0.371 nan 8.150 nan 0.000 0.490 219 V N 3.761 123.703 119.914 0.047 0.000 2.427 219 V HA 0.092 4.214 4.120 0.003 0.000 0.268 219 V C -0.135 175.984 176.094 0.042 0.000 1.046 219 V CA -0.045 62.278 62.300 0.038 0.000 0.970 219 V CB 0.349 32.194 31.823 0.037 0.000 1.001 219 V HN 0.612 nan 8.190 nan 0.000 0.476 220 I N 6.846 127.431 120.570 0.025 0.000 2.379 220 I HA 0.238 4.409 4.170 0.003 0.000 0.290 220 I C 0.243 176.374 176.117 0.023 0.000 1.063 220 I CA 0.512 61.828 61.300 0.026 0.000 1.351 220 I CB 0.526 38.538 38.000 0.019 0.000 1.410 220 I HN 0.414 nan 8.210 nan 0.000 0.505 221 L N 6.339 127.579 121.223 0.029 0.000 2.399 221 L HA 0.643 4.985 4.340 0.003 0.000 0.265 221 L C 0.398 177.289 176.870 0.035 0.000 1.089 221 L CA -0.274 54.578 54.840 0.020 0.000 0.802 221 L CB 1.159 43.224 42.059 0.011 0.000 1.180 221 L HN 0.589 nan 8.230 nan 0.000 0.454 222 T N -1.585 112.999 114.554 0.049 0.000 2.804 222 T HA 0.144 4.496 4.350 0.003 0.000 0.290 222 T C 0.505 175.271 174.700 0.111 0.000 1.099 222 T CA -0.627 61.513 62.100 0.066 0.000 1.011 222 T CB 1.708 70.608 68.868 0.053 0.000 1.291 222 T HN 0.488 nan 8.240 nan 0.000 0.523 223 E N 0.535 120.795 120.200 0.099 0.000 2.160 223 E HA -0.101 4.250 4.350 0.003 0.000 0.195 223 E C 1.125 177.820 176.600 0.159 0.000 0.991 223 E CA 1.547 58.016 56.400 0.116 0.000 0.810 223 E CB -0.018 29.717 29.700 0.058 0.000 0.742 223 E HN 0.461 nan 8.360 nan 0.000 0.466 224 K N -0.557 119.925 120.400 0.136 0.000 2.399 224 K HA 0.140 4.462 4.320 0.003 0.000 0.204 224 K C -0.507 176.249 176.600 0.260 0.000 1.023 224 K CA 0.372 56.724 56.287 0.109 0.000 1.127 224 K CB 1.123 33.634 32.500 0.019 0.000 0.856 224 K HN 0.092 nan 8.250 nan 0.000 0.514 225 T N -1.994 112.756 114.554 0.327 0.000 2.906 225 T HA 0.800 5.152 4.350 0.003 0.000 0.295 225 T C -0.895 173.757 174.700 -0.081 0.000 1.061 225 T CA -1.089 61.136 62.100 0.207 0.000 1.000 225 T CB 2.313 71.222 68.868 0.068 0.000 1.103 225 T HN -0.015 nan 8.240 nan 0.000 0.486 226 A N 1.656 124.272 122.820 -0.340 0.000 2.486 226 A HA 0.749 5.071 4.320 0.003 0.000 0.300 226 A C -1.327 176.077 177.584 -0.299 0.000 1.048 226 A CA -0.866 50.808 52.037 -0.604 0.000 0.696 226 A CB 1.609 19.794 19.000 -1.358 0.000 1.278 226 A HN 0.941 nan 8.150 nan 0.000 0.405 227 L N 1.996 123.073 121.223 -0.243 0.000 2.276 227 L HA 0.504 4.846 4.340 0.003 0.000 0.286 227 L C -0.306 176.451 176.870 -0.189 0.000 1.061 227 L CA -0.018 54.712 54.840 -0.184 0.000 0.807 227 L CB 0.580 42.521 42.059 -0.197 0.000 1.177 227 L HN 0.775 nan 8.230 nan 0.000 0.429 228 H N 5.458 124.365 119.070 -0.270 0.000 2.640 228 H HA 0.535 5.092 4.556 0.002 0.000 0.297 228 H C -1.199 173.888 175.328 -0.402 0.000 1.073 228 H CA -0.335 55.528 56.048 -0.308 0.000 1.305 228 H CB 0.330 29.971 29.762 -0.201 0.000 1.404 228 H HN 0.624 nan 8.280 nan 0.000 0.459 229 L N 4.466 125.194 121.223 -0.825 0.000 2.313 229 L HA 0.630 4.972 4.340 0.003 0.000 0.268 229 L C -0.082 176.105 176.870 -1.139 0.000 1.010 229 L CA -1.168 53.064 54.840 -1.014 0.000 0.814 229 L CB 1.856 43.203 42.059 -1.188 0.000 1.304 229 L HN 0.517 nan 8.230 nan 0.000 0.441 230 R N 0.701 120.728 120.500 -0.788 0.000 2.564 230 R HA 0.635 4.977 4.340 0.003 0.000 0.284 230 R C -1.226 175.002 176.300 -0.120 0.000 1.031 230 R CA -0.533 55.302 56.100 -0.442 0.000 0.904 230 R CB 1.932 32.065 30.300 -0.278 0.000 1.199 230 R HN 0.726 nan 8.270 nan 0.000 0.443 231 A N 4.017 126.973 122.820 0.227 0.000 2.404 231 A HA 0.230 4.551 4.320 0.003 0.000 0.273 231 A C 0.667 178.389 177.584 0.230 0.000 1.144 231 A CA -0.296 52.024 52.037 0.472 0.000 0.806 231 A CB 0.392 19.821 19.000 0.714 0.000 1.080 231 A HN 0.982 nan 8.150 nan 0.000 0.509 232 R N 0.647 121.238 120.500 0.152 0.000 2.115 232 R HA -0.060 4.282 4.340 0.003 0.000 0.226 232 R C 0.784 177.139 176.300 0.092 0.000 1.100 232 R CA 1.683 57.841 56.100 0.097 0.000 0.980 232 R CB 0.010 30.366 30.300 0.093 0.000 0.875 232 R HN 0.978 nan 8.270 nan 0.000 0.445 233 Q N -0.829 119.035 119.800 0.107 0.000 2.814 233 Q HA 0.240 4.582 4.340 0.003 0.000 0.322 233 Q C -1.438 174.660 176.000 0.164 0.000 0.888 233 Q CA -1.063 54.771 55.803 0.052 0.000 0.768 233 Q CB 0.519 29.190 28.738 -0.111 0.000 1.443 233 Q HN -0.217 nan 8.270 nan 0.000 0.497 234 N N 0.980 119.731 118.700 0.085 0.000 2.447 234 N HA 0.367 5.109 4.740 0.003 0.000 0.263 234 N C -1.067 174.553 175.510 0.183 0.000 1.226 234 N CA 0.517 53.633 53.050 0.110 0.000 0.906 234 N CB -0.198 38.304 38.487 0.026 0.000 1.060 234 N HN 0.544 nan 8.380 nan 0.000 0.468 235 F N -1.344 118.605 119.950 -0.002 0.000 2.719 235 F HA 0.503 5.034 4.527 0.007 0.000 0.309 235 F C -1.192 174.629 175.800 0.035 0.000 1.138 235 F CA -1.269 56.749 58.000 0.030 0.000 0.943 235 F CB 1.357 40.439 39.000 0.135 0.000 1.304 235 F HN -0.005 nan 8.300 nan 0.000 0.445 236 K N 2.985 123.292 120.400 -0.154 0.000 2.240 236 K HA 0.261 4.583 4.320 0.003 0.000 0.271 236 K C -0.820 175.705 176.600 -0.124 0.000 1.018 236 K CA -0.900 55.203 56.287 -0.306 0.000 0.874 236 K CB 1.071 33.486 32.500 -0.142 0.000 1.098 236 K HN 0.717 nan 8.250 nan 0.000 0.458 237 D N 2.223 122.463 120.400 -0.267 0.000 2.393 237 D HA -0.093 4.549 4.640 0.003 0.000 0.246 237 D C 1.018 177.395 176.300 0.129 0.000 1.275 237 D CA -0.497 53.594 54.000 0.152 0.000 0.979 237 D CB 0.546 41.480 40.800 0.223 0.000 1.101 237 D HN 0.228 nan 8.370 nan 0.000 0.505 238 L N -0.127 121.210 121.223 0.189 0.000 2.083 238 L HA -0.073 4.269 4.340 0.003 0.000 0.209 238 L C 2.384 179.294 176.870 0.067 0.000 1.083 238 L CA 1.676 56.585 54.840 0.115 0.000 0.752 238 L CB -0.469 41.648 42.059 0.096 0.000 0.899 238 L HN 0.384 nan 8.230 nan 0.000 0.433 239 R N -0.519 120.022 120.500 0.069 0.000 2.189 239 R HA 0.145 4.487 4.340 0.003 0.000 0.218 239 R C 0.889 177.175 176.300 -0.023 0.000 1.074 239 R CA 0.707 56.824 56.100 0.029 0.000 0.991 239 R CB -0.220 30.105 30.300 0.041 0.000 0.883 239 R HN 0.524 nan 8.270 nan 0.000 0.457 240 G N 0.753 109.519 108.800 -0.057 0.000 2.392 240 G HA2 -0.187 3.775 3.960 0.003 0.000 0.215 240 G HA3 -0.187 3.775 3.960 0.003 0.000 0.215 240 G C -0.654 174.136 174.900 -0.184 0.000 1.097 240 G CA -0.202 44.839 45.100 -0.100 0.000 0.840 240 G HN 0.185 nan 8.290 nan 0.000 0.492 241 V N 0.331 120.059 119.914 -0.311 0.000 2.540 241 V HA 0.843 4.964 4.120 0.003 0.000 0.302 241 V C 0.658 176.273 176.094 -0.799 0.000 1.035 241 V CA -0.054 61.959 62.300 -0.479 0.000 0.873 241 V CB 1.664 33.201 31.823 -0.478 0.000 0.992 241 V HN 1.619 nan 8.190 nan 0.000 0.428 242 A N 6.184 128.631 122.820 -0.622 0.000 2.454 242 A HA 0.552 4.874 4.320 0.003 0.000 0.260 242 A C -0.320 176.804 177.584 -0.768 0.000 1.106 242 A CA 0.014 51.700 52.037 -0.584 0.000 0.780 242 A CB -0.130 18.681 19.000 -0.315 0.000 1.044 242 A HN 0.906 nan 8.150 nan 0.000 0.498 243 H N 2.190 120.934 119.070 -0.543 0.000 2.529 243 H HA 0.401 4.957 4.556 0.000 0.000 0.348 243 H C -0.292 174.944 175.328 -0.153 0.000 1.079 243 H CA -0.391 55.384 56.048 -0.455 0.000 1.198 243 H CB 1.346 30.652 29.762 -0.761 0.000 1.521 243 H HN 0.718 nan 8.280 nan 0.000 0.514 244 R N 1.020 121.581 120.500 0.101 0.000 2.474 244 R HA 0.259 4.601 4.340 0.003 0.000 0.295 244 R C -0.116 176.290 176.300 0.177 0.000 0.980 244 R CA -0.740 55.425 56.100 0.109 0.000 0.934 244 R CB 1.090 31.426 30.300 0.060 0.000 1.101 244 R HN 0.539 nan 8.270 nan 0.000 0.469 245 T N 1.723 116.368 114.554 0.152 0.000 2.765 245 T HA 0.014 4.366 4.350 0.003 0.000 0.275 245 T C 1.331 176.110 174.700 0.132 0.000 1.007 245 T CA 1.457 63.645 62.100 0.146 0.000 1.175 245 T CB 0.229 69.149 68.868 0.088 0.000 0.993 245 T HN 0.950 nan 8.240 nan 0.000 0.510 246 G N 3.013 111.898 108.800 0.142 0.000 2.268 246 G HA2 -0.227 3.735 3.960 0.003 0.000 0.240 246 G HA3 -0.227 3.735 3.960 0.003 0.000 0.240 246 G C -0.004 174.976 174.900 0.133 0.000 1.010 246 G CA -0.027 45.137 45.100 0.106 0.000 0.618 246 G HN 0.724 nan 8.290 nan 0.000 0.516 247 E N 1.286 121.607 120.200 0.201 0.000 2.415 247 E HA 0.425 4.777 4.350 0.003 0.000 0.262 247 E C 0.135 176.921 176.600 0.310 0.000 1.038 247 E CA 0.502 57.055 56.400 0.255 0.000 0.921 247 E CB 0.446 30.320 29.700 0.290 0.000 0.950 247 E HN 0.596 nan 8.360 nan 0.000 0.438 248 E N 1.598 121.962 120.200 0.273 0.000 2.256 248 E HA 0.525 4.876 4.350 0.003 0.000 0.267 248 E C -1.121 175.683 176.600 0.341 0.000 0.892 248 E CA -0.737 55.744 56.400 0.134 0.000 0.775 248 E CB 1.469 31.235 29.700 0.111 0.000 1.207 248 E HN 0.438 nan 8.360 nan 0.000 0.420 249 W N 1.114 122.436 121.300 0.036 0.000 2.959 249 W HA 0.600 5.261 4.660 0.001 0.000 0.358 249 W C -2.241 174.309 176.519 0.051 0.000 1.228 249 W CA -0.969 56.401 57.345 0.040 0.000 1.183 249 W CB 0.561 30.017 29.460 -0.006 0.000 1.467 249 W HN 0.265 nan 8.180 nan 0.000 0.578 250 L N 2.536 123.880 121.223 0.202 0.000 2.322 250 L HA 0.649 4.991 4.340 0.003 0.000 0.281 250 L C -0.473 176.450 176.870 0.089 0.000 1.014 250 L CA -1.494 53.356 54.840 0.016 0.000 0.815 250 L CB 1.566 43.592 42.059 -0.055 0.000 1.247 250 L HN 0.320 nan 8.230 nan 0.000 0.421 251 V N 1.743 121.627 119.914 -0.050 0.000 2.383 251 V HA 0.348 4.470 4.120 0.003 0.000 0.275 251 V C 0.645 176.657 176.094 -0.137 0.000 1.036 251 V CA -0.365 61.910 62.300 -0.043 0.000 0.889 251 V CB 1.448 33.170 31.823 -0.168 0.000 0.985 251 V HN 0.941 nan 8.190 nan 0.000 0.459 252 T N 1.882 116.388 114.554 -0.081 0.000 2.893 252 T HA 0.400 4.752 4.350 0.003 0.000 0.279 252 T C 0.970 175.667 174.700 -0.005 0.000 0.991 252 T CA -0.493 61.544 62.100 -0.105 0.000 0.950 252 T CB 1.526 70.391 68.868 -0.005 0.000 1.223 252 T HN 0.114 nan 8.240 nan 0.000 0.585 253 V N 1.488 121.425 119.914 0.039 0.000 3.041 253 V HA -0.070 4.052 4.120 0.003 0.000 0.260 253 V C 2.742 178.877 176.094 0.068 0.000 1.105 253 V CA 1.033 63.369 62.300 0.060 0.000 1.125 253 V CB -0.903 30.964 31.823 0.074 0.000 0.730 253 V HN 0.703 nan 8.190 nan 0.000 0.479 254 Q N 0.062 119.908 119.800 0.077 0.000 2.119 254 Q HA -0.161 4.180 4.340 0.003 0.000 0.201 254 Q C 1.864 177.904 176.000 0.067 0.000 0.972 254 Q CA 1.496 57.343 55.803 0.073 0.000 0.847 254 Q CB -0.428 28.358 28.738 0.081 0.000 0.903 254 Q HN 0.639 nan 8.270 nan 0.000 0.433 255 D N 0.001 120.444 120.400 0.072 0.000 2.103 255 D HA -0.022 4.620 4.640 0.003 0.000 0.199 255 D C 0.672 177.027 176.300 0.092 0.000 0.978 255 D CA 1.157 55.207 54.000 0.083 0.000 0.829 255 D CB 0.252 41.111 40.800 0.099 0.000 0.981 255 D HN 0.173 nan 8.370 nan 0.000 0.464 256 T N -0.564 114.047 114.554 0.095 0.000 2.977 256 T HA 0.088 4.440 4.350 0.003 0.000 0.345 256 T C 0.039 174.789 174.700 0.083 0.000 1.562 256 T CA -0.648 61.511 62.100 0.098 0.000 1.090 256 T CB 1.725 70.679 68.868 0.144 0.000 1.383 256 T HN -0.042 nan 8.240 nan 0.000 0.484 257 E N 2.122 122.362 120.200 0.067 0.000 2.170 257 E HA 0.268 4.620 4.350 0.003 0.000 0.191 257 E C 0.639 177.275 176.600 0.059 0.000 0.981 257 E CA 0.247 56.681 56.400 0.056 0.000 0.830 257 E CB 0.245 29.972 29.700 0.044 0.000 0.775 257 E HN 0.614 nan 8.360 nan 0.000 0.470 258 A N 1.235 124.095 122.820 0.066 0.000 2.335 258 A HA 0.474 4.795 4.320 0.003 0.000 0.304 258 A C -1.719 175.925 177.584 0.099 0.000 1.118 258 A CA -0.647 51.430 52.037 0.067 0.000 0.757 258 A CB 0.696 19.717 19.000 0.035 0.000 1.188 258 A HN 0.326 nan 8.150 nan 0.000 0.460 259 H N 1.750 120.831 119.070 0.019 0.000 2.646 259 H HA 0.554 5.112 4.556 0.004 0.000 0.328 259 H C -1.151 174.188 175.328 0.018 0.000 0.998 259 H CA -0.394 55.673 56.048 0.032 0.000 1.225 259 H CB 1.378 31.166 29.762 0.044 0.000 1.457 259 H HN 0.393 nan 8.280 nan 0.000 0.505 260 V N 8.040 127.799 119.914 -0.257 0.000 2.408 260 V HA 0.202 4.324 4.120 0.003 0.000 0.267 260 V C -2.017 173.981 176.094 -0.161 0.000 1.047 260 V CA -1.644 60.566 62.300 -0.151 0.000 0.937 260 V CB 0.648 32.388 31.823 -0.138 0.000 0.999 260 V HN 0.823 nan 8.190 nan 0.000 0.472 261 P HA 0.116 nan 4.420 nan 0.000 0.266 261 P C -0.321 176.979 177.300 -0.001 0.000 1.215 261 P CA 0.002 63.168 63.100 0.111 0.000 0.763 261 P CB 0.402 32.135 31.700 0.056 0.000 0.806 262 D N 1.928 122.345 120.400 0.028 0.000 2.377 262 D HA -0.038 4.603 4.640 0.003 0.000 0.245 262 D C 1.356 177.544 176.300 -0.188 0.000 1.196 262 D CA -0.383 53.577 54.000 -0.066 0.000 0.962 262 D CB 1.116 41.926 40.800 0.017 0.000 1.127 262 D HN 0.026 nan 8.370 nan 0.000 0.471 263 V N 2.247 121.965 119.914 -0.327 0.000 2.568 263 V HA -0.243 3.879 4.120 0.003 0.000 0.253 263 V C 0.774 176.560 176.094 -0.514 0.000 1.072 263 V CA 1.734 63.758 62.300 -0.459 0.000 1.084 263 V CB -0.613 30.841 31.823 -0.614 0.000 0.676 263 V HN 0.508 nan 8.190 nan 0.000 0.469 264 Y N 0.278 120.378 120.300 -0.334 0.000 2.485 264 Y HA 0.430 4.982 4.550 0.003 0.000 0.260 264 Y C 0.947 176.546 175.900 -0.502 0.000 1.173 264 Y CA -0.977 56.835 58.100 -0.479 0.000 1.252 264 Y CB -0.015 38.010 38.460 -0.725 0.000 1.123 264 Y HN 0.362 nan 8.280 nan 0.000 0.524 265 E N 1.507 121.569 120.200 -0.230 0.000 2.134 265 E HA 0.169 4.521 4.350 0.003 0.000 0.278 265 E C -0.485 176.061 176.600 -0.090 0.000 0.959 265 E CA -0.409 55.961 56.400 -0.050 0.000 0.783 265 E CB 1.229 30.999 29.700 0.117 0.000 1.095 265 E HN 0.203 nan 8.360 nan 0.000 0.399 266 E N 3.289 123.414 120.200 -0.126 0.000 2.174 266 E HA 0.183 4.534 4.350 0.003 0.000 0.282 266 E C -1.037 175.430 176.600 -0.222 0.000 0.992 266 E CA -0.598 55.716 56.400 -0.144 0.000 0.803 266 E CB 1.595 31.222 29.700 -0.122 0.000 1.090 266 E HN 0.259 nan 8.360 nan 0.000 0.396 267 V N 6.510 126.318 119.914 -0.177 0.000 2.455 267 V HA 0.054 4.176 4.120 0.003 0.000 0.273 267 V C 0.286 176.261 176.094 -0.199 0.000 1.045 267 V CA -0.015 62.165 62.300 -0.200 0.000 0.976 267 V CB 0.894 32.642 31.823 -0.124 0.000 0.993 267 V HN 0.799 nan 8.190 nan 0.000 0.475 268 L N 6.588 127.644 121.223 -0.278 0.000 2.408 268 L HA 0.672 5.014 4.340 0.003 0.000 0.215 268 L C 1.044 177.876 176.870 -0.063 0.000 1.081 268 L CA 1.277 55.992 54.840 -0.208 0.000 0.840 268 L CB -0.310 41.509 42.059 -0.399 0.000 1.002 268 L HN 0.989 nan 8.230 nan 0.000 0.468 269 G N -1.891 106.880 108.800 -0.048 0.000 2.324 269 G HA2 0.363 4.325 3.960 0.003 0.000 0.293 269 G HA3 0.363 4.325 3.960 0.003 0.000 0.293 269 G C -1.962 172.933 174.900 -0.008 0.000 1.297 269 G CA -0.592 44.505 45.100 -0.006 0.000 0.853 269 G HN -0.297 nan 8.290 nan 0.000 0.535 270 V N 0.347 120.252 119.914 -0.015 0.000 2.384 270 V HA 0.566 4.687 4.120 0.003 0.000 0.287 270 V C 0.206 176.289 176.094 -0.018 0.000 1.020 270 V CA -0.698 61.584 62.300 -0.030 0.000 0.850 270 V CB 1.356 33.163 31.823 -0.027 0.000 0.987 270 V HN 0.684 nan 8.190 nan 0.000 0.436 271 V N 8.191 128.084 119.914 -0.035 0.000 2.432 271 V HA 0.354 4.476 4.120 0.003 0.000 0.275 271 V C -1.936 174.231 176.094 0.121 0.000 1.043 271 V CA -1.612 60.693 62.300 0.008 0.000 0.925 271 V CB 1.642 33.452 31.823 -0.023 0.000 0.985 271 V HN 0.740 nan 8.190 nan 0.000 0.466 272 P HA 0.277 nan 4.420 nan 0.000 0.278 272 P C -0.227 177.125 177.300 0.085 0.000 1.238 272 P CA -0.392 62.767 63.100 0.099 0.000 0.794 272 P CB 1.346 33.048 31.700 0.002 0.000 0.955 273 I N 1.955 122.496 120.570 -0.047 0.000 2.556 273 I HA 0.037 4.209 4.170 0.003 0.000 0.284 273 I C 0.075 175.926 176.117 -0.443 0.000 1.114 273 I CA 0.115 61.097 61.300 -0.530 0.000 1.418 273 I CB 0.466 38.029 38.000 -0.728 0.000 1.394 273 I HN 0.253 nan 8.210 nan 0.000 0.552 274 T N 5.517 119.697 114.554 -0.624 0.000 2.738 274 T HA 0.064 4.415 4.350 0.003 0.000 0.293 274 T C 0.121 174.488 174.700 -0.555 0.000 0.913 274 T CA -0.052 61.667 62.100 -0.635 0.000 1.103 274 T CB 0.127 68.398 68.868 -0.995 0.000 0.880 274 T HN 0.643 nan 8.240 nan 0.000 0.526 275 T N 5.660 120.014 114.554 -0.333 0.000 2.753 275 T HA 0.525 4.877 4.350 0.003 0.000 0.297 275 T C -0.316 174.281 174.700 -0.173 0.000 0.981 275 T CA -0.791 61.173 62.100 -0.226 0.000 0.956 275 T CB -0.181 68.574 68.868 -0.190 0.000 0.936 275 T HN 0.414 nan 8.240 nan 0.000 0.463 276 L N 5.205 126.382 121.223 -0.077 0.000 2.272 276 L HA 0.590 4.932 4.340 0.003 0.000 0.289 276 L C 1.338 178.210 176.870 0.002 0.000 1.032 276 L CA -1.017 53.816 54.840 -0.012 0.000 0.810 276 L CB 1.335 43.472 42.059 0.129 0.000 1.205 276 L HN 0.761 nan 8.230 nan 0.000 0.422 277 G N 2.943 111.722 108.800 -0.036 0.000 2.553 277 G HA2 0.237 4.199 3.960 0.003 0.000 0.278 277 G HA3 0.237 4.199 3.960 0.003 0.000 0.278 277 G C -1.610 173.403 174.900 0.189 0.000 1.349 277 G CA -0.677 44.471 45.100 0.081 0.000 1.037 277 G HN 0.478 nan 8.290 nan 0.000 0.508 278 P HA -0.030 nan 4.420 nan 0.000 0.219 278 P C 0.803 178.167 177.300 0.107 0.000 1.150 278 P CA 0.972 64.139 63.100 0.112 0.000 0.814 278 P CB 0.338 32.084 31.700 0.078 0.000 0.787 279 R N -0.833 119.735 120.500 0.113 0.000 2.791 279 R HA 0.284 4.626 4.340 0.003 0.000 0.357 279 R C -0.332 175.862 176.300 -0.178 0.000 1.173 279 R CA -0.228 55.857 56.100 -0.024 0.000 1.060 279 R CB -0.053 30.197 30.300 -0.084 0.000 1.406 279 R HN 0.387 nan 8.270 nan 0.000 0.580 280 H N -0.143 118.979 119.070 0.086 0.000 2.797 280 H HA 0.439 4.996 4.556 0.002 0.000 0.372 280 H C -0.919 174.528 175.328 0.197 0.000 1.168 280 H CA -0.733 55.374 56.048 0.099 0.000 1.163 280 H CB 1.565 31.346 29.762 0.031 0.000 1.778 280 H HN 0.146 nan 8.280 nan 0.000 0.551 281 Y N -0.946 119.424 120.300 0.116 0.000 2.725 281 Y HA 0.658 5.208 4.550 0.001 0.000 0.333 281 Y C -1.383 174.565 175.900 0.081 0.000 1.242 281 Y CA -1.373 56.775 58.100 0.081 0.000 1.059 281 Y CB 0.784 39.262 38.460 0.030 0.000 1.306 281 Y HN 0.990 nan 8.280 nan 0.000 0.454 282 C N -0.166 119.142 119.300 0.013 0.000 3.321 282 C HA 0.892 5.353 4.460 0.003 0.000 0.329 282 C C -1.568 173.471 174.990 0.082 0.000 1.394 282 C CA -1.043 57.911 59.018 -0.107 0.000 1.291 282 C CB 1.332 29.076 27.740 0.007 0.000 1.606 282 C HN 0.911 nan 8.230 nan 0.000 0.463 283 V N 1.979 121.919 119.914 0.044 0.000 2.407 283 V HA 0.414 4.536 4.120 0.003 0.000 0.291 283 V C -0.067 176.066 176.094 0.065 0.000 1.018 283 V CA -0.214 62.135 62.300 0.082 0.000 0.842 283 V CB 1.273 33.149 31.823 0.089 0.000 0.996 283 V HN 0.780 nan 8.190 nan 0.000 0.426 284 I N 5.705 126.314 120.570 0.065 0.000 2.436 284 I HA 0.156 4.328 4.170 0.003 0.000 0.289 284 I C -0.321 175.824 176.117 0.047 0.000 1.083 284 I CA -0.273 61.067 61.300 0.066 0.000 1.372 284 I CB 0.892 38.926 38.000 0.056 0.000 1.408 284 I HN 0.341 nan 8.210 nan 0.000 0.516 285 L N 6.684 127.934 121.223 0.045 0.000 2.349 285 L HA 0.193 4.535 4.340 0.003 0.000 0.275 285 L C 0.163 177.054 176.870 0.035 0.000 1.115 285 L CA 0.208 55.070 54.840 0.036 0.000 0.820 285 L CB 0.015 42.092 42.059 0.030 0.000 1.135 285 L HN 0.530 nan 8.230 nan 0.000 0.445 286 D N 1.926 122.344 120.400 0.031 0.000 2.812 286 D HA -0.144 4.498 4.640 0.003 0.000 0.237 286 D C -2.298 174.022 176.300 0.034 0.000 1.162 286 D CA 0.255 54.273 54.000 0.031 0.000 0.740 286 D CB -0.933 39.885 40.800 0.030 0.000 1.000 286 D HN 0.303 nan 8.370 nan 0.000 0.416 287 P HA 0.074 nan 4.420 nan 0.000 0.274 287 P C 0.161 177.480 177.300 0.031 0.000 1.231 287 P CA -0.519 62.599 63.100 0.029 0.000 0.790 287 P CB 0.806 32.514 31.700 0.014 0.000 0.951 288 M N 1.861 121.483 119.600 0.037 0.000 2.146 288 M HA 0.393 4.875 4.480 0.003 0.000 0.357 288 M C 0.753 177.072 176.300 0.032 0.000 1.261 288 M CA 0.044 55.369 55.300 0.042 0.000 1.106 288 M CB 0.663 33.298 32.600 0.059 0.000 1.612 288 M HN 0.474 nan 8.290 nan 0.000 0.470 289 G N 3.838 112.655 108.800 0.029 0.000 2.504 289 G HA2 0.340 4.302 3.960 0.003 0.000 0.257 289 G HA3 0.340 4.302 3.960 0.003 0.000 0.257 289 G C -1.869 173.044 174.900 0.023 0.000 1.451 289 G CA -0.619 44.493 45.100 0.021 0.000 1.059 289 G HN 0.612 nan 8.290 nan 0.000 0.550 290 P HA 0.004 nan 4.420 nan 0.000 0.220 290 P C 0.801 178.112 177.300 0.017 0.000 1.152 290 P CA 1.352 64.461 63.100 0.015 0.000 0.812 290 P CB 0.049 31.754 31.700 0.009 0.000 0.792 291 D N -0.313 120.098 120.400 0.018 0.000 2.348 291 D HA 0.021 4.663 4.640 0.003 0.000 0.216 291 D C 1.386 177.703 176.300 0.028 0.000 0.970 291 D CA 0.973 54.984 54.000 0.018 0.000 0.889 291 D CB -1.139 39.671 40.800 0.017 0.000 0.912 291 D HN 0.282 nan 8.370 nan 0.000 0.524 292 G N 0.009 108.833 108.800 0.039 0.000 2.165 292 G HA2 -0.253 3.709 3.960 0.003 0.000 0.226 292 G HA3 -0.253 3.709 3.960 0.003 0.000 0.226 292 G C -0.264 174.675 174.900 0.065 0.000 1.035 292 G CA -0.044 45.091 45.100 0.059 0.000 0.744 292 G HN 0.465 nan 8.290 nan 0.000 0.501 293 K N 0.287 120.718 120.400 0.052 0.000 2.443 293 K HA 0.316 4.638 4.320 0.003 0.000 0.252 293 K C -0.358 176.269 176.600 0.046 0.000 0.933 293 K CA -1.072 55.245 56.287 0.051 0.000 0.792 293 K CB 1.208 33.732 32.500 0.040 0.000 1.185 293 K HN 0.101 nan 8.250 nan 0.000 0.425 294 N N 2.826 121.555 118.700 0.049 0.000 2.447 294 N HA -0.035 4.707 4.740 0.003 0.000 0.263 294 N C -0.493 175.038 175.510 0.035 0.000 1.226 294 N CA 0.410 53.486 53.050 0.043 0.000 0.906 294 N CB 0.696 39.210 38.487 0.044 0.000 1.060 294 N HN 0.436 nan 8.380 nan 0.000 0.468 295 Q N 2.536 122.354 119.800 0.031 0.000 2.664 295 Q HA 0.197 4.539 4.340 0.003 0.000 0.223 295 Q C -0.081 175.934 176.000 0.026 0.000 1.298 295 Q CA -0.173 55.646 55.803 0.026 0.000 0.965 295 Q CB 0.139 28.890 28.738 0.023 0.000 1.510 295 Q HN 0.355 nan 8.270 nan 0.000 0.567 296 L N 1.600 122.838 121.223 0.026 0.000 2.654 296 L HA -0.050 4.292 4.340 0.003 0.000 0.271 296 L C 1.301 178.184 176.870 0.023 0.000 1.169 296 L CA 0.742 55.596 54.840 0.025 0.000 0.947 296 L CB -0.154 41.920 42.059 0.024 0.000 1.232 296 L HN 0.967 nan 8.230 nan 0.000 0.486 297 G N 1.895 110.708 108.800 0.023 0.000 2.259 297 G HA2 -0.213 3.749 3.960 0.003 0.000 0.217 297 G HA3 -0.213 3.749 3.960 0.003 0.000 0.217 297 G C 0.277 175.191 174.900 0.024 0.000 1.001 297 G CA -0.503 44.611 45.100 0.023 0.000 0.627 297 G HN 0.497 nan 8.290 nan 0.000 0.501 298 Q N 0.899 120.713 119.800 0.024 0.000 2.396 298 Q HA 0.745 5.087 4.340 0.003 0.000 0.221 298 Q C 0.346 176.362 176.000 0.027 0.000 1.025 298 Q CA 0.392 56.210 55.803 0.024 0.000 0.946 298 Q CB 0.601 29.352 28.738 0.022 0.000 1.224 298 Q HN 0.503 nan 8.270 nan 0.000 0.539 299 K N 0.737 121.153 120.400 0.028 0.000 2.426 299 K HA 0.569 4.891 4.320 0.003 0.000 0.251 299 K C -0.968 175.648 176.600 0.026 0.000 0.941 299 K CA -0.858 55.448 56.287 0.031 0.000 0.808 299 K CB 2.669 35.193 32.500 0.040 0.000 1.265 299 K HN 0.329 nan 8.250 nan 0.000 0.432 300 R N 2.079 122.593 120.500 0.023 0.000 2.575 300 R HA 0.356 4.698 4.340 0.003 0.000 0.293 300 R C -1.382 174.930 176.300 0.019 0.000 0.983 300 R CA -0.596 55.508 56.100 0.007 0.000 0.887 300 R CB 1.700 31.987 30.300 -0.020 0.000 1.184 300 R HN 0.382 nan 8.270 nan 0.000 0.445 301 V N 5.043 124.971 119.914 0.023 0.000 2.406 301 V HA 0.306 4.428 4.120 0.003 0.000 0.272 301 V C -0.128 175.979 176.094 0.022 0.000 1.043 301 V CA -0.545 61.792 62.300 0.061 0.000 0.915 301 V CB 1.477 33.331 31.823 0.051 0.000 0.988 301 V HN 0.449 nan 8.190 nan 0.000 0.466 302 V N 6.638 126.581 119.914 0.048 0.000 2.459 302 V HA 0.600 4.722 4.120 0.003 0.000 0.295 302 V C 0.055 176.220 176.094 0.118 0.000 1.029 302 V CA -0.660 61.635 62.300 -0.008 0.000 0.874 302 V CB 1.650 33.362 31.823 -0.186 0.000 0.985 302 V HN 1.036 nan 8.190 nan 0.000 0.438 303 K N 3.003 123.453 120.400 0.083 0.000 2.399 303 K HA 0.944 5.266 4.320 0.003 0.000 0.260 303 K C 0.186 176.843 176.600 0.095 0.000 1.049 303 K CA -0.261 56.100 56.287 0.123 0.000 0.890 303 K CB 1.926 34.453 32.500 0.045 0.000 1.430 303 K HN 1.307 nan 8.250 nan 0.000 0.459 304 G N 0.442 109.302 108.800 0.099 0.000 2.860 304 G HA2 -0.278 3.684 3.960 0.003 0.000 0.553 304 G HA3 -0.278 3.684 3.960 0.003 0.000 0.553 304 G C -0.755 174.198 174.900 0.089 0.000 1.439 304 G CA 0.095 45.241 45.100 0.077 0.000 0.879 304 G HN 0.878 nan 8.290 nan 0.000 0.545 305 E N 0.297 120.538 120.200 0.069 0.000 1.833 305 E HA 0.310 4.662 4.350 0.003 0.000 0.258 305 E C 0.423 177.054 176.600 0.052 0.000 1.257 305 E CA 0.437 56.872 56.400 0.058 0.000 1.003 305 E CB -0.272 29.454 29.700 0.043 0.000 1.068 305 E HN 0.574 nan 8.360 nan 0.000 0.422 306 K N 1.733 122.176 120.400 0.071 0.000 2.469 306 K HA 0.399 4.721 4.320 0.003 0.000 0.254 306 K C -1.479 175.190 176.600 0.114 0.000 0.939 306 K CA -0.733 55.608 56.287 0.090 0.000 0.812 306 K CB 2.012 34.574 32.500 0.104 0.000 1.301 306 K HN 0.178 nan 8.250 nan 0.000 0.433 307 S N 2.450 118.207 115.700 0.095 0.000 2.526 307 S HA 0.787 5.259 4.470 0.003 0.000 0.293 307 S C -1.528 173.123 174.600 0.085 0.000 1.092 307 S CA -0.680 57.521 58.200 0.001 0.000 0.980 307 S CB 0.658 63.786 63.200 -0.120 0.000 1.048 307 S HN 0.536 nan 8.310 nan 0.000 0.483 308 F N -0.334 119.467 119.950 -0.250 0.000 2.741 308 F HA 0.759 5.293 4.527 0.012 0.000 0.311 308 F C -2.107 173.478 175.800 -0.357 0.000 1.149 308 F CA -1.577 56.280 58.000 -0.239 0.000 0.930 308 F CB 0.615 39.572 39.000 -0.072 0.000 1.312 308 F HN 0.360 nan 8.300 nan 0.000 0.450 309 F N 2.348 122.348 119.950 0.083 0.000 2.421 309 F HA 0.572 5.098 4.527 -0.002 0.000 0.337 309 F C -0.194 175.670 175.800 0.107 0.000 1.105 309 F CA -0.863 57.124 58.000 -0.022 0.000 1.049 309 F CB 1.410 40.416 39.000 0.010 0.000 1.139 309 F HN 0.283 nan 8.300 nan 0.000 0.479 310 L N 4.326 125.651 121.223 0.171 0.000 2.462 310 L HA 0.076 4.418 4.340 0.003 0.000 0.272 310 L C 0.373 177.310 176.870 0.111 0.000 1.166 310 L CA 0.151 55.091 54.840 0.167 0.000 0.880 310 L CB -0.136 41.957 42.059 0.057 0.000 1.142 310 L HN 0.485 nan 8.230 nan 0.000 0.473 311 Q N 5.082 124.953 119.800 0.119 0.000 2.382 311 Q HA 0.259 4.600 4.340 0.003 0.000 0.229 311 Q C -2.047 173.940 176.000 -0.022 0.000 1.006 311 Q CA -1.907 53.934 55.803 0.062 0.000 0.916 311 Q CB -0.084 28.712 28.738 0.097 0.000 1.235 311 Q HN 0.343 nan 8.270 nan 0.000 0.512 312 P HA -0.082 nan 4.420 nan 0.000 0.259 312 P C 0.613 177.919 177.300 0.011 0.000 1.163 312 P CA 1.547 64.615 63.100 -0.054 0.000 0.760 312 P CB 0.048 31.828 31.700 0.134 0.000 0.762 313 G N 2.077 110.875 108.800 -0.004 0.000 2.234 313 G HA2 -0.253 3.709 3.960 0.003 0.000 0.260 313 G HA3 -0.253 3.709 3.960 0.003 0.000 0.260 313 G C 0.138 175.051 174.900 0.021 0.000 0.987 313 G CA -0.192 44.921 45.100 0.022 0.000 0.625 313 G HN 0.552 nan 8.290 nan 0.000 0.532 314 E N 0.276 120.488 120.200 0.020 0.000 2.374 314 E HA 0.635 4.987 4.350 0.003 0.000 0.260 314 E C 0.613 177.230 176.600 0.028 0.000 1.101 314 E CA -0.113 56.309 56.400 0.037 0.000 0.907 314 E CB 0.662 30.402 29.700 0.067 0.000 1.014 314 E HN 0.441 nan 8.360 nan 0.000 0.427 315 R N 0.713 121.236 120.500 0.037 0.000 2.799 315 R HA 0.418 4.760 4.340 0.003 0.000 0.270 315 R C -1.368 174.957 176.300 0.041 0.000 1.010 315 R CA -1.070 55.046 56.100 0.028 0.000 0.916 315 R CB 0.942 31.253 30.300 0.017 0.000 1.228 315 R HN 0.204 nan 8.270 nan 0.000 0.469 316 L N 1.717 122.956 121.223 0.027 0.000 2.289 316 L HA 0.220 4.562 4.340 0.003 0.000 0.285 316 L C 1.451 178.325 176.870 0.007 0.000 1.049 316 L CA 0.359 55.213 54.840 0.024 0.000 0.804 316 L CB 1.272 43.333 42.059 0.004 0.000 1.195 316 L HN 0.768 nan 8.230 nan 0.000 0.428 317 E N 2.706 122.911 120.200 0.009 0.000 2.047 317 E HA -0.098 4.254 4.350 0.003 0.000 0.191 317 E C 0.952 177.544 176.600 -0.012 0.000 0.987 317 E CA 1.135 57.538 56.400 0.005 0.000 0.799 317 E CB 0.303 30.014 29.700 0.018 0.000 0.752 317 E HN 0.468 nan 8.360 nan 0.000 0.449 318 R N -0.848 119.629 120.500 -0.038 0.000 2.637 318 R HA 0.186 4.528 4.340 0.003 0.000 0.446 318 R C -0.116 176.134 176.300 -0.084 0.000 1.024 318 R CA 0.341 56.408 56.100 -0.056 0.000 1.080 318 R CB 0.667 30.932 30.300 -0.059 0.000 1.421 318 R HN 0.344 nan 8.270 nan 0.000 0.593 319 G N 1.266 110.024 108.800 -0.071 0.000 2.569 319 G HA2 -0.319 3.643 3.960 0.003 0.000 0.259 319 G HA3 -0.319 3.643 3.960 0.003 0.000 0.259 319 G C -0.289 174.547 174.900 -0.107 0.000 1.263 319 G CA -0.182 44.873 45.100 -0.076 0.000 0.928 319 G HN 0.166 nan 8.290 nan 0.000 0.572 320 I N 2.290 122.805 120.570 -0.092 0.000 2.293 320 I HA 0.221 4.392 4.170 0.003 0.000 0.299 320 I C 1.116 177.178 176.117 -0.092 0.000 1.153 320 I CA 0.477 61.730 61.300 -0.079 0.000 1.302 320 I CB 0.544 38.508 38.000 -0.060 0.000 1.460 320 I HN 0.369 nan 8.210 nan 0.000 0.552 321 Q N 4.253 123.881 119.800 -0.286 0.000 2.327 321 Q HA 0.181 4.523 4.340 0.003 0.000 0.254 321 Q C -0.515 175.340 176.000 -0.243 0.000 0.952 321 Q CA -0.527 55.038 55.803 -0.396 0.000 0.884 321 Q CB 1.171 29.382 28.738 -0.878 0.000 1.224 321 Q HN 0.409 nan 8.270 nan 0.000 0.422 322 D N 1.575 121.879 120.400 -0.161 0.000 2.351 322 D HA 0.094 4.736 4.640 0.003 0.000 0.251 322 D C -0.267 176.024 176.300 -0.014 0.000 1.137 322 D CA -0.075 53.827 54.000 -0.164 0.000 0.879 322 D CB 1.235 41.915 40.800 -0.200 0.000 1.181 322 D HN 0.166 nan 8.370 nan 0.000 0.448 323 V N 3.367 123.319 119.914 0.063 0.000 2.763 323 V HA -0.132 3.990 4.120 0.003 0.000 0.306 323 V C 0.132 176.220 176.094 -0.010 0.000 1.059 323 V CA 0.059 62.411 62.300 0.086 0.000 1.138 323 V CB -0.194 31.652 31.823 0.039 0.000 0.940 323 V HN 0.374 nan 8.190 nan 0.000 0.489 324 Y N 3.067 123.410 120.300 0.071 0.000 2.605 324 Y HA 0.211 4.762 4.550 0.002 0.000 0.336 324 Y C 0.480 176.418 175.900 0.063 0.000 1.111 324 Y CA 0.420 58.571 58.100 0.086 0.000 1.422 324 Y CB 0.727 39.276 38.460 0.149 0.000 1.193 324 Y HN 0.382 nan 8.280 nan 0.000 0.526 325 V N 7.375 127.379 119.914 0.151 0.000 2.288 325 V HA 0.326 4.448 4.120 0.003 0.000 0.266 325 V C -1.011 175.140 176.094 0.096 0.000 1.048 325 V CA -0.735 61.623 62.300 0.097 0.000 0.842 325 V CB -0.162 31.686 31.823 0.041 0.000 1.064 325 V HN 0.517 nan 8.190 nan 0.000 0.472 326 L N 7.289 128.568 121.223 0.093 0.000 2.257 326 L HA 0.516 4.858 4.340 0.003 0.000 0.290 326 L C 0.828 177.718 176.870 0.034 0.000 1.044 326 L CA 0.704 55.577 54.840 0.055 0.000 0.810 326 L CB 1.447 43.522 42.059 0.026 0.000 1.193 326 L HN 0.829 nan 8.230 nan 0.000 0.425 327 S N 1.852 117.567 115.700 0.025 0.000 2.661 327 S HA 0.311 4.783 4.470 0.003 0.000 0.265 327 S C 0.978 175.583 174.600 0.008 0.000 1.225 327 S CA -0.637 57.573 58.200 0.017 0.000 0.986 327 S CB 0.784 63.993 63.200 0.015 0.000 1.008 327 S HN 0.605 nan 8.310 nan 0.000 0.565 328 E N 0.598 120.802 120.200 0.006 0.000 2.077 328 E HA -0.185 4.167 4.350 0.003 0.000 0.193 328 E C 2.102 178.701 176.600 -0.002 0.000 0.989 328 E CA 1.412 57.814 56.400 0.002 0.000 0.800 328 E CB -0.279 29.423 29.700 0.003 0.000 0.746 328 E HN 0.674 nan 8.360 nan 0.000 0.452 329 Q N 0.407 120.207 119.800 -0.001 0.000 2.369 329 Q HA -0.045 4.297 4.340 0.003 0.000 0.206 329 Q C 0.632 176.628 176.000 -0.008 0.000 0.963 329 Q CA 0.472 56.273 55.803 -0.004 0.000 0.894 329 Q CB 0.139 28.876 28.738 -0.001 0.000 0.965 329 Q HN 0.333 nan 8.270 nan 0.000 0.475 330 Q N -0.522 119.274 119.800 -0.006 0.000 2.317 330 Q HA 0.489 4.831 4.340 0.003 0.000 0.229 330 Q C -0.185 175.797 176.000 -0.030 0.000 0.984 330 Q CA -0.214 55.583 55.803 -0.010 0.000 0.911 330 Q CB 1.345 30.086 28.738 0.006 0.000 1.217 330 Q HN 0.158 nan 8.270 nan 0.000 0.501 331 G N 0.123 108.894 108.800 -0.049 0.000 2.632 331 G HA2 0.516 4.478 3.960 0.003 0.000 0.292 331 G HA3 0.516 4.478 3.960 0.003 0.000 0.292 331 G C -2.171 172.647 174.900 -0.137 0.000 1.465 331 G CA -0.564 44.481 45.100 -0.092 0.000 0.824 331 G HN 0.248 nan 8.290 nan 0.000 0.509 332 L N 0.361 121.449 121.223 -0.225 0.000 2.362 332 L HA 0.606 4.948 4.340 0.003 0.000 0.275 332 L C -0.535 176.126 176.870 -0.348 0.000 0.998 332 L CA -0.750 53.904 54.840 -0.310 0.000 0.820 332 L CB 1.850 43.623 42.059 -0.477 0.000 1.270 332 L HN 0.499 nan 8.230 nan 0.000 0.415 333 L N 4.693 125.732 121.223 -0.307 0.000 2.261 333 L HA 0.505 4.847 4.340 0.003 0.000 0.289 333 L C -0.628 175.970 176.870 -0.453 0.000 1.059 333 L CA 0.354 54.991 54.840 -0.338 0.000 0.816 333 L CB 0.355 42.285 42.059 -0.216 0.000 1.191 333 L HN 0.459 nan 8.230 nan 0.000 0.431 334 L N 4.480 125.260 121.223 -0.738 0.000 2.358 334 L HA 0.635 4.977 4.340 0.003 0.000 0.268 334 L C -0.212 176.126 176.870 -0.887 0.000 1.032 334 L CA -0.864 53.435 54.840 -0.901 0.000 0.805 334 L CB 1.498 42.737 42.059 -1.367 0.000 1.253 334 L HN 0.472 nan 8.230 nan 0.000 0.452 335 K N 0.841 120.865 120.400 -0.627 0.000 2.535 335 K HA 0.638 4.960 4.320 0.003 0.000 0.251 335 K C -1.387 175.146 176.600 -0.111 0.000 0.942 335 K CA -0.620 55.474 56.287 -0.322 0.000 0.798 335 K CB 2.099 34.503 32.500 -0.160 0.000 1.267 335 K HN 0.678 nan 8.250 nan 0.000 0.434 336 A N 4.690 127.588 122.820 0.130 0.000 2.409 336 A HA 0.283 4.605 4.320 0.003 0.000 0.267 336 A C 0.760 178.407 177.584 0.104 0.000 1.127 336 A CA -0.335 51.825 52.037 0.204 0.000 0.795 336 A CB 0.056 19.231 19.000 0.291 0.000 1.061 336 A HN 0.846 nan 8.150 nan 0.000 0.502 337 L N 0.961 122.234 121.223 0.084 0.000 2.375 337 L HA 0.083 4.424 4.340 0.003 0.000 0.215 337 L C 1.184 178.092 176.870 0.062 0.000 1.108 337 L CA 0.575 55.450 54.840 0.059 0.000 0.830 337 L CB -0.320 41.767 42.059 0.047 0.000 0.959 337 L HN 0.950 nan 8.230 nan 0.000 0.457 338 Q N -1.816 118.030 119.800 0.077 0.000 2.590 338 Q HA 0.474 4.816 4.340 0.003 0.000 0.295 338 Q C -2.897 173.152 176.000 0.082 0.000 0.973 338 Q CA -2.127 53.717 55.803 0.068 0.000 0.768 338 Q CB 1.268 30.037 28.738 0.052 0.000 1.479 338 Q HN -0.286 nan 8.270 nan 0.000 0.419 339 P HA 0.108 nan 4.420 nan 0.000 0.267 339 P C -1.087 176.250 177.300 0.062 0.000 1.201 339 P CA 0.155 63.292 63.100 0.061 0.000 0.775 339 P CB 0.363 32.084 31.700 0.035 0.000 0.854 348 R N -1.276 119.222 120.500 -0.003 0.000 3.948 348 R HA 0.226 4.568 4.340 0.003 0.000 0.462 348 R C 0.386 176.590 176.300 -0.160 0.000 0.241 348 R CA 0.701 56.757 56.100 -0.073 0.000 1.455 348 R CB -1.969 28.302 30.300 -0.047 0.000 1.112 348 R HN 2.107 nan 8.270 nan 0.000 0.510 349 V N 0.853 120.583 119.914 -0.307 0.000 3.262 349 V HA 0.843 4.965 4.120 0.003 0.000 0.313 349 V C 1.431 177.188 176.094 -0.562 0.000 1.070 349 V CA 0.263 62.349 62.300 -0.357 0.000 1.049 349 V CB 1.624 33.251 31.823 -0.328 0.000 1.157 349 V HN 2.314 nan 8.190 nan 0.000 0.454 350 A N 2.868 125.447 122.820 -0.402 0.000 2.488 350 A HA 0.393 4.715 4.320 0.003 0.000 0.249 350 A C -0.026 177.259 177.584 -0.500 0.000 1.083 350 A CA -0.021 51.810 52.037 -0.344 0.000 0.768 350 A CB -0.344 18.550 19.000 -0.176 0.000 1.017 350 A HN 0.934 nan 8.150 nan 0.000 0.496 351 H N 1.265 120.202 119.070 -0.222 0.000 2.615 351 H HA 0.368 4.925 4.556 0.002 0.000 0.346 351 H C 0.083 175.369 175.328 -0.070 0.000 1.200 351 H CA -0.448 55.481 56.048 -0.198 0.000 1.264 351 H CB 1.087 30.639 29.762 -0.350 0.000 1.699 351 H HN 0.827 nan 8.280 nan 0.000 0.567 352 Q N -0.231 119.640 119.800 0.118 0.000 2.915 352 Q HA 0.475 4.817 4.340 0.003 0.000 0.186 352 Q C 1.288 177.348 176.000 0.100 0.000 1.106 352 Q CA -0.510 55.340 55.803 0.078 0.000 0.700 352 Q CB 0.637 29.409 28.738 0.056 0.000 4.029 352 Q HN 0.665 nan 8.270 nan 0.000 0.362 353 A N 0.462 123.328 122.820 0.077 0.000 1.836 353 A HA -0.019 4.303 4.320 0.003 0.000 0.212 353 A C 1.526 179.164 177.584 0.089 0.000 1.243 353 A CA 1.544 53.624 52.037 0.072 0.000 0.620 353 A CB -1.443 17.588 19.000 0.051 0.000 0.889 353 A HN 0.732 nan 8.150 nan 0.000 0.463 354 G N 0.094 108.940 108.800 0.076 0.000 3.591 354 G HA2 0.398 4.360 3.960 0.003 0.000 0.282 354 G HA3 0.398 4.360 3.960 0.003 0.000 0.282 354 G C -0.806 174.149 174.900 0.091 0.000 1.238 354 G CA -0.108 45.035 45.100 0.071 0.000 0.993 354 G HN 0.371 nan 8.290 nan 0.000 0.542 355 D N 0.949 121.437 120.400 0.147 0.000 2.382 355 D HA 0.371 5.013 4.640 0.003 0.000 0.240 355 D C 0.822 177.263 176.300 0.235 0.000 1.146 355 D CA 0.299 54.416 54.000 0.196 0.000 0.897 355 D CB 0.887 41.839 40.800 0.254 0.000 1.197 355 D HN 0.492 nan 8.370 nan 0.000 0.432 356 R N 0.497 121.119 120.500 0.203 0.000 2.686 356 R HA 0.783 5.125 4.340 0.003 0.000 0.283 356 R C -1.165 175.266 176.300 0.218 0.000 0.978 356 R CA -1.224 54.926 56.100 0.083 0.000 0.897 356 R CB 1.547 31.809 30.300 -0.062 0.000 1.192 356 R HN 0.620 nan 8.270 nan 0.000 0.457 357 W N 1.519 122.734 121.300 -0.141 0.000 3.042 357 W HA 0.648 5.309 4.660 0.001 0.000 0.342 357 W C -2.142 174.304 176.519 -0.122 0.000 1.240 357 W CA -1.479 55.801 57.345 -0.109 0.000 1.166 357 W CB 0.811 30.207 29.460 -0.106 0.000 1.469 357 W HN 0.472 nan 8.180 nan 0.000 0.579 358 L N 2.533 123.788 121.223 0.054 0.000 2.334 358 L HA 0.756 5.097 4.340 0.003 0.000 0.272 358 L C -0.919 175.946 176.870 -0.009 0.000 1.020 358 L CA -1.408 53.383 54.840 -0.082 0.000 0.812 358 L CB 1.414 43.452 42.059 -0.035 0.000 1.264 358 L HN 0.562 nan 8.230 nan 0.000 0.439 359 I N 4.037 124.525 120.570 -0.137 0.000 2.499 359 I HA 0.460 4.632 4.170 0.003 0.000 0.288 359 I C -0.171 175.870 176.117 -0.125 0.000 1.048 359 I CA -0.722 60.508 61.300 -0.116 0.000 1.062 359 I CB 1.885 39.732 38.000 -0.255 0.000 1.238 359 I HN 0.623 nan 8.210 nan 0.000 0.426 360 R N 2.459 122.920 120.500 -0.064 0.000 2.608 360 R HA 0.672 5.014 4.340 0.003 0.000 0.255 360 R C 0.270 176.546 176.300 -0.039 0.000 1.086 360 R CA -0.582 55.489 56.100 -0.049 0.000 1.125 360 R CB 1.499 31.786 30.300 -0.022 0.000 1.193 360 R HN 0.776 nan 8.270 nan 0.000 0.553 361 G N 0.571 109.359 108.800 -0.021 0.000 2.557 361 G HA2 0.401 4.362 3.960 0.003 0.000 0.302 361 G HA3 0.401 4.362 3.960 0.003 0.000 0.302 361 G C -2.393 172.510 174.900 0.005 0.000 1.311 361 G CA -1.099 44.001 45.100 -0.002 0.000 1.030 361 G HN 0.352 nan 8.290 nan 0.000 0.509 362 P HA 0.400 nan 4.420 nan 0.000 0.281 362 P C -1.207 176.110 177.300 0.029 0.000 1.286 362 P CA -0.139 62.973 63.100 0.020 0.000 0.772 362 P CB 1.470 33.181 31.700 0.019 0.000 0.862 363 L N 2.062 123.309 121.223 0.040 0.000 2.513 363 L HA 0.383 4.725 4.340 0.003 0.000 0.261 363 L C -0.633 176.293 176.870 0.095 0.000 0.945 363 L CA -0.564 54.314 54.840 0.063 0.000 0.848 363 L CB 2.564 44.658 42.059 0.058 0.000 1.334 363 L HN 0.265 nan 8.230 nan 0.000 0.407 364 E N 2.967 123.227 120.200 0.101 0.000 2.046 364 E HA 0.257 4.609 4.350 0.003 0.000 0.279 364 E C -1.960 174.729 176.600 0.149 0.000 0.989 364 E CA -0.395 56.069 56.400 0.106 0.000 0.798 364 E CB 0.717 30.453 29.700 0.060 0.000 1.086 364 E HN 0.492 nan 8.360 nan 0.000 0.399 365 Y N 4.184 124.505 120.300 0.036 0.000 2.376 365 Y HA 0.431 4.984 4.550 0.005 0.000 0.340 365 Y C -1.115 174.784 175.900 -0.002 0.000 0.965 365 Y CA -0.895 57.210 58.100 0.008 0.000 1.078 365 Y CB 1.217 39.669 38.460 -0.013 0.000 1.193 365 Y HN 0.244 nan 8.280 nan 0.000 0.452 366 V N 5.154 124.612 119.914 -0.760 0.000 2.487 366 V HA 0.710 4.832 4.120 0.003 0.000 0.298 366 V C -2.786 172.664 176.094 -1.073 0.000 1.028 366 V CA -2.389 59.392 62.300 -0.865 0.000 0.860 366 V CB 1.329 32.643 31.823 -0.849 0.000 0.991 366 V HN 0.709 nan 8.190 nan 0.000 0.427 367 P HA 0.207 nan 4.420 nan 0.000 0.275 367 P C 0.186 177.361 177.300 -0.207 0.000 1.228 367 P CA 0.275 63.156 63.100 -0.365 0.000 0.786 367 P CB 1.362 33.054 31.700 -0.013 0.000 0.927 368 S N 1.434 117.085 115.700 -0.080 0.000 2.589 368 S HA 0.257 4.729 4.470 0.003 0.000 0.265 368 S C 1.691 176.308 174.600 0.027 0.000 1.342 368 S CA 0.119 58.312 58.200 -0.012 0.000 1.005 368 S CB 0.055 63.288 63.200 0.056 0.000 0.909 368 S HN 0.489 nan 8.310 nan 0.000 0.555 369 A N 2.948 125.788 122.820 0.033 0.000 2.019 369 A HA -0.027 4.295 4.320 0.003 0.000 0.219 369 A C 1.952 179.569 177.584 0.054 0.000 1.164 369 A CA 1.370 53.435 52.037 0.046 0.000 0.644 369 A CB -0.414 18.608 19.000 0.038 0.000 0.805 369 A HN 0.897 nan 8.150 nan 0.000 0.449 370 K N -0.611 119.827 120.400 0.065 0.000 2.379 370 K HA 0.159 4.481 4.320 0.003 0.000 0.194 370 K C 0.387 177.045 176.600 0.098 0.000 1.031 370 K CA 0.564 56.897 56.287 0.078 0.000 1.037 370 K CB 0.255 32.806 32.500 0.085 0.000 0.824 370 K HN 0.485 nan 8.250 nan 0.000 0.516 371 V N -0.083 119.891 119.914 0.100 0.000 2.881 371 V HA 0.451 4.573 4.120 0.003 0.000 0.316 371 V C -1.001 175.109 176.094 0.026 0.000 1.070 371 V CA -0.946 61.403 62.300 0.081 0.000 0.976 371 V CB 1.760 33.665 31.823 0.137 0.000 1.038 371 V HN 0.261 nan 8.190 nan 0.000 0.446 372 E N 1.770 121.948 120.200 -0.037 0.000 2.293 372 E HA 0.647 4.999 4.350 0.003 0.000 0.270 372 E C -1.577 174.954 176.600 -0.115 0.000 0.879 372 E CA -1.070 55.308 56.400 -0.036 0.000 0.756 372 E CB 2.331 32.023 29.700 -0.015 0.000 1.208 372 E HN 0.529 nan 8.360 nan 0.000 0.428 373 V N 3.878 123.742 119.914 -0.084 0.000 2.397 373 V HA -0.011 4.111 4.120 0.003 0.000 0.262 373 V C 0.934 176.959 176.094 -0.115 0.000 1.047 373 V CA -0.107 62.097 62.300 -0.159 0.000 1.003 373 V CB 0.780 32.504 31.823 -0.165 0.000 1.037 373 V HN 0.741 nan 8.190 nan 0.000 0.480 374 V N 3.903 123.718 119.914 -0.164 0.000 2.535 374 V HA 0.104 4.226 4.120 0.003 0.000 0.246 374 V C 0.858 176.897 176.094 -0.092 0.000 1.045 374 V CA 1.255 63.484 62.300 -0.118 0.000 1.058 374 V CB -0.201 31.537 31.823 -0.142 0.000 0.689 374 V HN 0.900 nan 8.190 nan 0.000 0.461 375 E N -0.791 119.338 120.200 -0.118 0.000 2.392 375 E HA 0.384 4.736 4.350 0.003 0.000 0.279 375 E C -1.041 175.503 176.600 -0.094 0.000 0.964 375 E CA -0.489 55.860 56.400 -0.084 0.000 0.777 375 E CB 2.668 32.319 29.700 -0.082 0.000 1.249 375 E HN 0.234 nan 8.360 nan 0.000 0.449 376 E N 2.533 122.706 120.200 -0.045 0.000 2.489 376 E HA 0.161 4.513 4.350 0.003 0.000 0.232 376 E C -0.728 175.857 176.600 -0.025 0.000 0.990 376 E CA -0.578 55.805 56.400 -0.030 0.000 0.768 376 E CB 0.404 30.132 29.700 0.048 0.000 1.270 376 E HN 0.184 nan 8.360 nan 0.000 0.423 377 R N 2.198 122.669 120.500 -0.048 0.000 2.615 377 R HA 0.356 4.698 4.340 0.003 0.000 0.270 377 R C -0.170 176.116 176.300 -0.025 0.000 1.081 377 R CA -0.244 55.834 56.100 -0.037 0.000 1.154 377 R CB 0.924 31.195 30.300 -0.049 0.000 1.063 377 R HN 0.574 nan 8.270 nan 0.000 0.519 378 Q N -0.881 118.909 119.800 -0.016 0.000 2.501 378 Q HA 0.495 4.837 4.340 0.003 0.000 0.288 378 Q C -0.901 175.093 176.000 -0.010 0.000 1.051 378 Q CA -0.337 55.460 55.803 -0.009 0.000 0.788 378 Q CB 2.284 31.021 28.738 -0.001 0.000 1.469 378 Q HN 0.711 nan 8.270 nan 0.000 0.416 379 A N 0.888 123.704 122.820 -0.007 0.000 2.846 379 A HA -0.175 4.147 4.320 0.003 0.000 0.287 379 A C -0.132 177.447 177.584 -0.008 0.000 1.469 379 A CA 0.352 52.386 52.037 -0.006 0.000 0.757 379 A CB -1.873 17.124 19.000 -0.005 0.000 1.033 379 A HN 0.415 nan 8.150 nan 0.000 0.516 380 I N 0.000 120.564 120.570 -0.011 0.000 2.984 380 I HA 0.000 4.172 4.170 0.003 0.000 0.288 380 I CA 0.000 61.293 61.300 -0.012 0.000 1.566 380 I CB 0.000 37.989 38.000 -0.018 0.000 1.214 380 I HN 0.000 nan 8.210 nan 0.000 0.494