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 2z8j_1_A DATA FIRST_RESID 38 DATA SEQUENCE EDVFHPVRAK QGMVASVDAT ATQVGVDILK EGGNAVDAAV AVGYALAVTH DATA SEQUENCE PQAGNLGGGG FMLIRSKNGN TTAIDFREMA PAKATRDMFL DDQGNPDSKK DATA SEQUENCE SLTSHLASGT PGTVAGFSLA LDKYGTMPLN KVVQPAFKLA RDGFIVNDAL DATA SEQUENCE ADDLKTYGSE VLPNHENSKA IFWKEGEPLK KGDTLVQANL AKSLEMIAEN DATA SEQUENCE GPDEFYKGTI AEQIAQEMQK NGGLITKEDL AAYKAVERTP ISGDYRGYQV DATA SEQUENCE YSMPPPSSGG IHIVQILNIL ENFDMKKYGF GSADAMQIMA EAEKYAYADR DATA SEQUENCE SEYLGDPDFV KVPWQALTNK AYAKSIADQI DINKAKPSSE IRPGKLAPYE 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 38 E HA 0.000 nan 4.350 nan 0.000 0.291 38 E C 0.000 176.599 176.600 -0.002 0.000 1.382 38 E CA 0.000 56.418 56.400 0.030 0.000 0.976 38 E CB 0.000 29.721 29.700 0.035 0.000 0.812 39 D N 0.910 121.305 120.400 -0.007 0.000 2.283 39 D HA 0.210 4.853 4.640 0.005 0.000 0.248 39 D C 0.943 177.059 176.300 -0.307 0.000 1.072 39 D CA 0.014 53.926 54.000 -0.148 0.000 0.929 39 D CB 2.065 42.740 40.800 -0.208 0.000 1.182 39 D HN 0.027 nan 8.370 nan 0.000 0.433 40 V N 0.699 120.399 119.914 -0.356 0.000 2.878 40 V HA 0.032 4.155 4.120 0.005 0.000 0.250 40 V C 0.205 175.767 176.094 -0.887 0.000 1.075 40 V CA 0.861 62.819 62.300 -0.570 0.000 1.096 40 V CB -0.213 31.223 31.823 -0.646 0.000 0.724 40 V HN 0.336 nan 8.190 nan 0.000 0.467 41 F N -0.624 119.099 119.950 -0.380 0.000 2.495 41 F HA 0.626 5.156 4.527 0.005 0.000 0.327 41 F C -0.077 175.434 175.800 -0.481 0.000 1.103 41 F CA -0.874 56.935 58.000 -0.319 0.000 0.949 41 F CB 1.145 40.043 39.000 -0.170 0.000 1.142 41 F HN 0.037 nan 8.300 nan 0.000 0.457 42 H N 1.897 121.050 119.070 0.139 0.000 2.529 42 H HA 0.472 5.030 4.556 0.004 0.000 0.348 42 H C -2.111 173.259 175.328 0.070 0.000 1.079 42 H CA -1.725 54.369 56.048 0.076 0.000 1.198 42 H CB 0.940 30.723 29.762 0.035 0.000 1.521 42 H HN 0.406 nan 8.280 nan 0.000 0.514 43 P HA 0.113 nan 4.420 nan 0.000 0.274 43 P C -0.278 177.074 177.300 0.085 0.000 1.231 43 P CA -0.536 62.620 63.100 0.094 0.000 0.790 43 P CB 1.152 32.891 31.700 0.065 0.000 0.951 44 V N 2.994 122.943 119.914 0.058 0.000 2.811 44 V HA 0.132 4.255 4.120 0.005 0.000 0.302 44 V C 1.101 177.216 176.094 0.035 0.000 1.063 44 V CA 0.023 62.349 62.300 0.043 0.000 1.088 44 V CB 0.069 31.910 31.823 0.030 0.000 0.982 44 V HN 0.531 nan 8.190 nan 0.000 0.485 45 R N 2.476 122.992 120.500 0.027 0.000 2.740 45 R HA 0.855 5.198 4.340 0.005 0.000 0.282 45 R C -0.808 175.501 176.300 0.015 0.000 0.969 45 R CA -0.551 55.562 56.100 0.022 0.000 0.918 45 R CB 2.153 32.465 30.300 0.021 0.000 1.175 45 R HN 0.810 nan 8.270 nan 0.000 0.464 46 A N 1.370 124.198 122.820 0.013 0.000 2.594 46 A HA 0.384 4.706 4.320 0.005 0.000 0.295 46 A C -0.480 177.109 177.584 0.009 0.000 1.071 46 A CA -0.785 51.258 52.037 0.009 0.000 0.685 46 A CB 1.759 20.764 19.000 0.008 0.000 1.285 46 A HN 0.786 nan 8.150 nan 0.000 0.405 47 K N -0.087 120.317 120.400 0.007 0.000 2.348 47 K HA 0.090 4.413 4.320 0.005 0.000 0.194 47 K C 1.237 177.841 176.600 0.006 0.000 1.052 47 K CA 0.809 57.100 56.287 0.007 0.000 1.004 47 K CB 0.522 33.025 32.500 0.006 0.000 0.873 47 K HN 0.748 nan 8.250 nan 0.000 0.523 48 Q N -0.324 119.478 119.800 0.005 0.000 2.627 48 Q HA 0.186 4.529 4.340 0.005 0.000 0.201 48 Q C 0.725 176.727 176.000 0.003 0.000 0.912 48 Q CA 0.126 55.931 55.803 0.003 0.000 0.877 48 Q CB 0.652 29.391 28.738 0.002 0.000 1.125 48 Q HN 0.147 nan 8.270 nan 0.000 0.637 49 G N 0.358 109.159 108.800 0.002 0.000 2.569 49 G HA2 0.717 4.680 3.960 0.005 0.000 0.300 49 G HA3 0.717 4.680 3.960 0.005 0.000 0.300 49 G C -1.603 173.298 174.900 0.001 0.000 1.269 49 G CA -0.452 44.648 45.100 0.000 0.000 0.959 49 G HN 0.066 nan 8.290 nan 0.000 0.478 50 M N 0.760 120.360 119.600 -0.000 0.000 2.413 50 M HA 0.598 5.081 4.480 0.005 0.000 0.287 50 M C -1.934 174.364 176.300 -0.003 0.000 1.186 50 M CA -0.616 54.684 55.300 -0.000 0.000 0.927 50 M CB 2.408 35.010 32.600 0.004 0.000 1.715 50 M HN 0.384 nan 8.290 nan 0.000 0.478 51 V N 2.694 122.604 119.914 -0.006 0.000 2.709 51 V HA 0.933 5.055 4.120 0.005 0.000 0.308 51 V C -0.849 175.239 176.094 -0.010 0.000 1.062 51 V CA -0.666 61.628 62.300 -0.010 0.000 0.901 51 V CB 1.843 33.657 31.823 -0.015 0.000 1.003 51 V HN 0.913 nan 8.190 nan 0.000 0.425 52 A N 3.269 126.083 122.820 -0.011 0.000 2.335 52 A HA 0.961 5.284 4.320 0.005 0.000 0.304 52 A C -0.267 177.304 177.584 -0.021 0.000 1.118 52 A CA -0.086 51.943 52.037 -0.013 0.000 0.757 52 A CB 1.661 20.656 19.000 -0.008 0.000 1.188 52 A HN 1.298 nan 8.150 nan 0.000 0.460 53 S N 0.882 116.561 115.700 -0.035 0.000 2.625 53 S HA 0.426 4.899 4.470 0.005 0.000 0.271 53 S C 0.246 174.795 174.600 -0.084 0.000 1.161 53 S CA 0.193 58.361 58.200 -0.055 0.000 0.820 53 S CB 1.086 64.250 63.200 -0.059 0.000 1.137 53 S HN 1.536 nan 8.310 nan 0.000 0.470 54 V N 0.613 120.444 119.914 -0.139 0.000 3.141 54 V HA 0.168 4.291 4.120 0.005 0.000 0.265 54 V C 0.078 176.048 176.094 -0.207 0.000 1.126 54 V CA 2.102 64.285 62.300 -0.195 0.000 1.141 54 V CB -1.016 30.606 31.823 -0.335 0.000 0.743 54 V HN 0.889 nan 8.190 nan 0.000 0.492 55 D N -1.913 118.381 120.400 -0.177 0.000 2.787 55 D HA 0.588 5.231 4.640 0.005 0.000 0.246 55 D C 0.807 177.060 176.300 -0.078 0.000 1.150 55 D CA 0.311 54.236 54.000 -0.126 0.000 0.864 55 D CB 2.035 42.747 40.800 -0.146 0.000 1.481 55 D HN 0.049 nan 8.370 nan 0.000 0.509 56 A N 2.483 125.273 122.820 -0.049 0.000 1.883 56 A HA -0.165 4.158 4.320 0.005 0.000 0.217 56 A C 1.935 179.495 177.584 -0.040 0.000 1.186 56 A CA 2.114 54.131 52.037 -0.032 0.000 0.624 56 A CB -0.879 18.114 19.000 -0.012 0.000 0.822 56 A HN 0.665 nan 8.150 nan 0.000 0.444 57 T N 0.293 114.812 114.554 -0.058 0.000 2.708 57 T HA -0.024 4.329 4.350 0.005 0.000 0.266 57 T C 2.246 176.905 174.700 -0.069 0.000 1.037 57 T CA 1.711 63.769 62.100 -0.070 0.000 1.146 57 T CB -0.530 68.261 68.868 -0.129 0.000 0.865 57 T HN 0.619 nan 8.240 nan 0.000 0.435 58 A N 1.298 124.069 122.820 -0.082 0.000 1.902 58 A HA -0.143 4.180 4.320 0.005 0.000 0.217 58 A C 2.572 180.129 177.584 -0.045 0.000 1.181 58 A CA 2.151 54.151 52.037 -0.062 0.000 0.623 58 A CB -1.345 17.616 19.000 -0.065 0.000 0.818 58 A HN 0.465 nan 8.150 nan 0.000 0.443 59 T N -0.153 114.374 114.554 -0.046 0.000 2.684 59 T HA -0.202 4.151 4.350 0.005 0.000 0.267 59 T C 2.068 176.753 174.700 -0.025 0.000 1.036 59 T CA 1.922 64.001 62.100 -0.034 0.000 1.148 59 T CB -0.274 68.576 68.868 -0.031 0.000 0.863 59 T HN 0.626 nan 8.240 nan 0.000 0.436 60 Q N 0.061 119.847 119.800 -0.024 0.000 2.170 60 Q HA -0.058 4.285 4.340 0.005 0.000 0.203 60 Q C 2.428 178.418 176.000 -0.016 0.000 0.976 60 Q CA 0.934 56.727 55.803 -0.017 0.000 0.858 60 Q CB -0.219 28.511 28.738 -0.014 0.000 0.907 60 Q HN 0.342 nan 8.270 nan 0.000 0.433 61 V N -0.209 119.693 119.914 -0.021 0.000 2.358 61 V HA -0.183 3.940 4.120 0.005 0.000 0.246 61 V C 2.110 178.194 176.094 -0.017 0.000 1.047 61 V CA 1.882 64.172 62.300 -0.016 0.000 1.035 61 V CB -1.059 30.755 31.823 -0.015 0.000 0.658 61 V HN 0.531 nan 8.190 nan 0.000 0.452 62 G N 0.010 108.797 108.800 -0.022 0.000 2.421 62 G HA2 -0.200 3.763 3.960 0.005 0.000 0.216 62 G HA3 -0.200 3.763 3.960 0.005 0.000 0.216 62 G C 1.680 176.569 174.900 -0.018 0.000 1.171 62 G CA 1.248 46.334 45.100 -0.025 0.000 0.775 62 G HN 0.364 nan 8.290 nan 0.000 0.543 63 V N 1.552 121.458 119.914 -0.015 0.000 2.287 63 V HA -0.178 3.945 4.120 0.005 0.000 0.248 63 V C 2.580 178.669 176.094 -0.008 0.000 1.053 63 V CA 2.203 64.497 62.300 -0.010 0.000 1.027 63 V CB -0.466 31.352 31.823 -0.008 0.000 0.646 63 V HN 0.279 nan 8.190 nan 0.000 0.447 64 D N -0.013 120.383 120.400 -0.008 0.000 2.149 64 D HA -0.132 4.511 4.640 0.005 0.000 0.198 64 D C 2.101 178.397 176.300 -0.006 0.000 0.990 64 D CA 1.137 55.134 54.000 -0.005 0.000 0.839 64 D CB -0.157 40.641 40.800 -0.003 0.000 0.948 64 D HN 0.283 nan 8.370 nan 0.000 0.460 65 I N 0.773 121.337 120.570 -0.010 0.000 2.315 65 I HA -0.172 4.001 4.170 0.005 0.000 0.248 65 I C 2.490 178.601 176.117 -0.010 0.000 1.117 65 I CA 0.657 61.950 61.300 -0.012 0.000 1.404 65 I CB -0.842 37.147 38.000 -0.018 0.000 1.071 65 I HN 0.064 nan 8.210 nan 0.000 0.419 66 L N 0.300 121.517 121.223 -0.010 0.000 2.056 66 L HA -0.197 4.145 4.340 0.005 0.000 0.207 66 L C 2.441 179.308 176.870 -0.005 0.000 1.078 66 L CA 1.301 56.137 54.840 -0.008 0.000 0.749 66 L CB -0.543 41.512 42.059 -0.008 0.000 0.901 66 L HN 0.187 nan 8.230 nan 0.000 0.433 67 K N 0.161 120.558 120.400 -0.004 0.000 2.280 67 K HA -0.158 4.165 4.320 0.005 0.000 0.202 67 K C 1.539 178.137 176.600 -0.002 0.000 1.047 67 K CA 1.036 57.321 56.287 -0.003 0.000 0.942 67 K CB -0.022 32.477 32.500 -0.002 0.000 0.739 67 K HN 0.395 nan 8.250 nan 0.000 0.457 68 E N -0.526 119.672 120.200 -0.003 0.000 2.489 68 E HA 0.018 4.371 4.350 0.005 0.000 0.193 68 E C 0.706 177.304 176.600 -0.003 0.000 1.057 68 E CA 0.252 56.650 56.400 -0.003 0.000 0.866 68 E CB 0.489 30.186 29.700 -0.004 0.000 0.916 68 E HN 0.464 nan 8.360 nan 0.000 0.500 69 G N 0.872 109.670 108.800 -0.003 0.000 2.159 69 G HA2 -0.219 3.744 3.960 0.005 0.000 0.227 69 G HA3 -0.219 3.744 3.960 0.005 0.000 0.227 69 G C 0.503 175.401 174.900 -0.002 0.000 0.986 69 G CA -0.369 44.729 45.100 -0.002 0.000 0.651 69 G HN 0.471 nan 8.290 nan 0.000 0.523 70 G N 0.175 108.973 108.800 -0.005 0.000 2.606 70 G HA2 0.535 4.498 3.960 0.005 0.000 0.252 70 G HA3 0.535 4.498 3.960 0.005 0.000 0.252 70 G C 0.372 175.271 174.900 -0.003 0.000 1.206 70 G CA 0.429 45.526 45.100 -0.005 0.000 0.861 70 G HN 0.980 nan 8.290 nan 0.000 0.561 71 N N -0.771 117.929 118.700 0.001 0.000 2.491 71 N HA 0.466 5.208 4.740 0.005 0.000 0.279 71 N C 1.385 176.893 175.510 -0.003 0.000 1.236 71 N CA 0.004 53.056 53.050 0.003 0.000 0.982 71 N CB 0.727 39.223 38.487 0.015 0.000 1.194 71 N HN 0.458 nan 8.380 nan 0.000 0.582 72 A N -0.123 122.695 122.820 -0.004 0.000 1.917 72 A HA -0.134 4.189 4.320 0.005 0.000 0.219 72 A C 2.092 179.666 177.584 -0.016 0.000 1.182 72 A CA 2.156 54.186 52.037 -0.012 0.000 0.633 72 A CB -1.254 17.738 19.000 -0.015 0.000 0.819 72 A HN 0.449 nan 8.150 nan 0.000 0.448 73 V N 0.525 120.437 119.914 -0.003 0.000 2.343 73 V HA -0.238 3.885 4.120 0.005 0.000 0.247 73 V C 2.195 178.274 176.094 -0.024 0.000 1.051 73 V CA 2.238 64.539 62.300 0.001 0.000 1.036 73 V CB -0.799 31.058 31.823 0.057 0.000 0.654 73 V HN 0.524 nan 8.190 nan 0.000 0.451 74 D N 0.627 121.019 120.400 -0.014 0.000 2.084 74 D HA -0.149 4.494 4.640 0.005 0.000 0.194 74 D C 2.273 178.542 176.300 -0.052 0.000 0.990 74 D CA 1.777 55.760 54.000 -0.029 0.000 0.826 74 D CB -0.425 40.365 40.800 -0.016 0.000 0.971 74 D HN 0.430 nan 8.370 nan 0.000 0.453 75 A N 1.282 124.077 122.820 -0.042 0.000 1.908 75 A HA -0.127 4.196 4.320 0.005 0.000 0.218 75 A C 2.348 179.885 177.584 -0.078 0.000 1.181 75 A CA 2.585 54.593 52.037 -0.047 0.000 0.627 75 A CB -0.814 18.168 19.000 -0.032 0.000 0.818 75 A HN 0.255 nan 8.150 nan 0.000 0.445 76 A N -0.811 121.955 122.820 -0.089 0.000 1.972 76 A HA 0.016 4.339 4.320 0.005 0.000 0.219 76 A C 2.207 179.608 177.584 -0.305 0.000 1.169 76 A CA 1.819 53.776 52.037 -0.133 0.000 0.635 76 A CB -0.746 18.203 19.000 -0.084 0.000 0.810 76 A HN 0.403 nan 8.150 nan 0.000 0.446 77 V N -0.503 119.212 119.914 -0.332 0.000 2.407 77 V HA -0.144 3.978 4.120 0.005 0.000 0.245 77 V C 3.010 178.944 176.094 -0.266 0.000 1.041 77 V CA 1.638 63.609 62.300 -0.548 0.000 1.040 77 V CB -1.032 30.627 31.823 -0.274 0.000 0.671 77 V HN 0.597 nan 8.190 nan 0.000 0.455 78 A N -0.120 122.630 122.820 -0.116 0.000 1.902 78 A HA -0.153 4.170 4.320 0.005 0.000 0.217 78 A C 2.391 179.965 177.584 -0.017 0.000 1.181 78 A CA 2.016 54.039 52.037 -0.024 0.000 0.623 78 A CB -0.663 18.318 19.000 -0.031 0.000 0.818 78 A HN 0.316 nan 8.150 nan 0.000 0.443 79 V N -0.072 119.798 119.914 -0.073 0.000 2.343 79 V HA -0.186 3.937 4.120 0.005 0.000 0.247 79 V C 2.813 178.878 176.094 -0.048 0.000 1.051 79 V CA 1.984 64.252 62.300 -0.054 0.000 1.036 79 V CB -1.385 30.402 31.823 -0.060 0.000 0.654 79 V HN 0.620 nan 8.190 nan 0.000 0.451 80 G N -1.812 106.892 108.800 -0.159 0.000 2.422 80 G HA2 -0.279 3.684 3.960 0.005 0.000 0.218 80 G HA3 -0.279 3.684 3.960 0.005 0.000 0.218 80 G C 1.495 176.407 174.900 0.020 0.000 1.146 80 G CA 0.875 45.919 45.100 -0.094 0.000 0.769 80 G HN 0.535 nan 8.290 nan 0.000 0.547 81 Y N 0.952 121.246 120.300 -0.009 0.000 2.337 81 Y HA 0.162 4.714 4.550 0.004 0.000 0.293 81 Y C 3.074 179.008 175.900 0.056 0.000 1.123 81 Y CA 0.739 58.883 58.100 0.075 0.000 1.201 81 Y CB 0.026 38.511 38.460 0.041 0.000 1.011 81 Y HN 0.265 nan 8.280 nan 0.000 0.545 82 A N -0.031 122.878 122.820 0.150 0.000 1.898 82 A HA -0.148 4.175 4.320 0.005 0.000 0.216 82 A C 2.124 179.730 177.584 0.036 0.000 1.181 82 A CA 1.400 53.478 52.037 0.069 0.000 0.620 82 A CB -1.005 18.003 19.000 0.015 0.000 0.819 82 A HN 0.468 nan 8.150 nan 0.000 0.442 83 L N -0.723 120.528 121.223 0.046 0.000 2.141 83 L HA -0.163 4.180 4.340 0.005 0.000 0.209 83 L C 2.929 179.863 176.870 0.107 0.000 1.094 83 L CA 0.816 55.697 54.840 0.068 0.000 0.763 83 L CB -0.457 41.649 42.059 0.078 0.000 0.908 83 L HN 0.436 nan 8.230 nan 0.000 0.437 84 A N -0.729 122.152 122.820 0.102 0.000 2.125 84 A HA -0.074 4.249 4.320 0.005 0.000 0.219 84 A C 2.151 179.821 177.584 0.144 0.000 1.156 84 A CA 1.458 53.559 52.037 0.106 0.000 0.671 84 A CB -0.314 18.734 19.000 0.080 0.000 0.794 84 A HN 0.258 nan 8.150 nan 0.000 0.459 85 V N -1.072 118.922 119.914 0.135 0.000 2.806 85 V HA -0.064 4.059 4.120 0.005 0.000 0.239 85 V C 2.571 178.741 176.094 0.126 0.000 1.113 85 V CA 1.844 64.244 62.300 0.166 0.000 1.137 85 V CB -0.373 31.534 31.823 0.139 0.000 0.865 85 V HN 0.700 nan 8.190 nan 0.000 0.482 86 T N -3.055 111.424 114.554 -0.125 0.000 3.081 86 T HA 0.004 4.357 4.350 0.005 0.000 0.255 86 T C 0.852 175.560 174.700 0.013 0.000 1.113 86 T CA 0.696 62.518 62.100 -0.463 0.000 1.082 86 T CB -0.213 68.279 68.868 -0.627 0.000 0.939 86 T HN 0.539 nan 8.240 nan 0.000 0.506 87 H N 1.490 120.559 119.070 -0.002 0.000 2.511 87 H HA 0.272 4.831 4.556 0.005 0.000 0.228 87 H C -2.203 173.158 175.328 0.054 0.000 1.424 87 H CA -1.674 54.396 56.048 0.036 0.000 1.321 87 H CB 1.715 31.479 29.762 0.003 0.000 1.720 87 H HN 0.118 nan 8.280 nan 0.000 0.512 88 P HA -0.143 nan 4.420 nan 0.000 0.228 88 P C 0.906 178.091 177.300 -0.192 0.000 1.151 88 P CA 0.745 63.829 63.100 -0.027 0.000 0.770 88 P CB 0.484 32.224 31.700 0.067 0.000 0.786 89 Q N 0.154 119.740 119.800 -0.357 0.000 2.084 89 Q HA -0.060 4.283 4.340 0.005 0.000 0.202 89 Q C 2.130 177.965 176.000 -0.274 0.000 0.978 89 Q CA 2.481 58.062 55.803 -0.368 0.000 0.844 89 Q CB -0.562 27.871 28.738 -0.507 0.000 0.898 89 Q HN 0.333 nan 8.270 nan 0.000 0.426 90 A N -0.765 121.906 122.820 -0.249 0.000 1.895 90 A HA 0.407 4.730 4.320 0.005 0.000 0.198 90 A C 1.148 178.757 177.584 0.041 0.000 1.709 90 A CA 0.236 52.244 52.037 -0.048 0.000 1.194 90 A CB -0.415 18.619 19.000 0.057 0.000 1.260 90 A HN 0.293 nan 8.150 nan 0.000 0.441 91 G N 0.983 109.861 108.800 0.131 0.000 2.484 91 G HA2 0.398 4.361 3.960 0.005 0.000 0.235 91 G HA3 0.398 4.361 3.960 0.005 0.000 0.235 91 G C -0.288 174.644 174.900 0.052 0.000 1.282 91 G CA 0.701 45.877 45.100 0.126 0.000 0.857 91 G HN 1.134 nan 8.290 nan 0.000 0.571 92 N N -1.068 117.647 118.700 0.025 0.000 3.355 92 N HA 0.246 4.989 4.740 0.005 0.000 0.238 92 N C -0.277 175.186 175.510 -0.080 0.000 1.466 92 N CA -0.877 52.167 53.050 -0.010 0.000 0.882 92 N CB 0.678 39.146 38.487 -0.032 0.000 1.406 92 N HN 0.246 nan 8.380 nan 0.000 0.500 93 L N -1.580 119.615 121.223 -0.048 0.000 2.948 93 L HA 0.478 4.821 4.340 0.005 0.000 0.259 93 L C 1.194 178.049 176.870 -0.024 0.000 1.136 93 L CA 0.371 55.158 54.840 -0.089 0.000 0.959 93 L CB 0.723 42.830 42.059 0.081 0.000 1.370 93 L HN 0.895 nan 8.230 nan 0.000 0.552 94 G N 0.013 108.830 108.800 0.027 0.000 3.707 94 G HA2 0.466 4.429 3.960 0.005 0.000 0.286 94 G HA3 0.466 4.429 3.960 0.005 0.000 0.286 94 G C 0.291 175.176 174.900 -0.024 0.000 1.112 94 G CA 0.476 45.610 45.100 0.056 0.000 0.861 94 G HN 0.307 nan 8.290 nan 0.000 0.534 95 G N -0.954 107.799 108.800 -0.077 0.000 3.259 95 G HA2 0.763 4.726 3.960 0.005 0.000 0.178 95 G HA3 0.763 4.726 3.960 0.005 0.000 0.178 95 G C -0.240 174.590 174.900 -0.116 0.000 1.129 95 G CA -0.178 44.867 45.100 -0.091 0.000 0.816 95 G HN 0.761 nan 8.290 nan 0.000 0.634 96 G N -2.888 105.841 108.800 -0.120 0.000 2.600 96 G HA2 0.762 4.725 3.960 0.005 0.000 0.293 96 G HA3 0.762 4.725 3.960 0.005 0.000 0.293 96 G C -0.508 174.206 174.900 -0.310 0.000 1.408 96 G CA 0.380 45.401 45.100 -0.132 0.000 0.782 96 G HN 1.883 nan 8.290 nan 0.000 0.482 97 G N -1.861 106.425 108.800 -0.857 0.000 2.335 97 G HA2 0.595 4.558 3.960 0.005 0.000 0.291 97 G HA3 0.595 4.558 3.960 0.005 0.000 0.291 97 G C -2.029 171.608 174.900 -2.106 0.000 1.261 97 G CA -0.594 43.749 45.100 -1.262 0.000 0.871 97 G HN 0.782 nan 8.290 nan 0.000 0.491 98 F N -0.235 119.210 119.950 -0.842 0.000 2.611 98 F HA 0.891 5.422 4.527 0.006 0.000 0.324 98 F C 0.313 176.073 175.800 -0.067 0.000 1.061 98 F CA -0.990 56.696 58.000 -0.524 0.000 0.954 98 F CB 2.548 41.404 39.000 -0.239 0.000 1.301 98 F HN 0.507 nan 8.300 nan 0.000 0.482 99 M N 2.931 122.731 119.600 0.332 0.000 2.322 99 M HA 0.555 5.038 4.480 0.005 0.000 0.286 99 M C -2.403 174.002 176.300 0.175 0.000 1.111 99 M CA -0.857 54.641 55.300 0.330 0.000 0.941 99 M CB 2.072 34.966 32.600 0.489 0.000 1.671 99 M HN 0.602 nan 8.290 nan 0.000 0.470 100 L N 6.367 127.652 121.223 0.102 0.000 2.313 100 L HA 0.698 5.041 4.340 0.005 0.000 0.283 100 L C -1.628 175.227 176.870 -0.024 0.000 1.013 100 L CA -0.204 54.649 54.840 0.023 0.000 0.816 100 L CB 1.530 43.600 42.059 0.019 0.000 1.236 100 L HN 0.694 nan 8.230 nan 0.000 0.419 101 I N 5.068 125.575 120.570 -0.106 0.000 2.465 101 I HA 0.550 4.722 4.170 0.005 0.000 0.291 101 I C -0.384 175.598 176.117 -0.225 0.000 1.014 101 I CA -0.657 60.531 61.300 -0.187 0.000 1.093 101 I CB 1.785 39.566 38.000 -0.364 0.000 1.267 101 I HN 0.557 nan 8.210 nan 0.000 0.431 102 R N 4.511 124.902 120.500 -0.181 0.000 2.473 102 R HA 0.498 4.841 4.340 0.005 0.000 0.303 102 R C -0.926 175.292 176.300 -0.136 0.000 1.002 102 R CA -0.309 55.680 56.100 -0.184 0.000 0.884 102 R CB 1.549 31.740 30.300 -0.182 0.000 1.173 102 R HN 0.745 nan 8.270 nan 0.000 0.464 103 S N 2.793 118.416 115.700 -0.127 0.000 2.589 103 S HA 0.013 4.486 4.470 0.005 0.000 0.265 103 S C 1.087 175.657 174.600 -0.051 0.000 1.342 103 S CA -0.547 57.613 58.200 -0.068 0.000 1.005 103 S CB 1.088 64.269 63.200 -0.032 0.000 0.909 103 S HN 0.725 nan 8.310 nan 0.000 0.555 104 K N 1.315 121.700 120.400 -0.026 0.000 2.280 104 K HA -0.164 4.159 4.320 0.005 0.000 0.202 104 K C 0.853 177.442 176.600 -0.018 0.000 1.047 104 K CA 1.642 57.917 56.287 -0.019 0.000 0.942 104 K CB -0.521 31.975 32.500 -0.007 0.000 0.739 104 K HN 0.601 nan 8.250 nan 0.000 0.457 105 N N 0.313 119.003 118.700 -0.017 0.000 2.398 105 N HA 0.039 4.782 4.740 0.005 0.000 0.188 105 N C 1.106 176.601 175.510 -0.025 0.000 1.122 105 N CA 0.785 53.827 53.050 -0.013 0.000 0.866 105 N CB 0.627 39.113 38.487 -0.002 0.000 0.970 105 N HN 0.475 nan 8.380 nan 0.000 0.462 106 G N 0.202 108.973 108.800 -0.048 0.000 2.234 106 G HA2 -0.313 3.649 3.960 0.005 0.000 0.235 106 G HA3 -0.313 3.649 3.960 0.005 0.000 0.235 106 G C -0.157 174.676 174.900 -0.111 0.000 0.997 106 G CA -0.004 45.051 45.100 -0.074 0.000 0.623 106 G HN 0.650 nan 8.290 nan 0.000 0.514 107 N N 1.516 120.168 118.700 -0.080 0.000 2.414 107 N HA 0.315 5.058 4.740 0.005 0.000 0.268 107 N C -0.545 174.871 175.510 -0.157 0.000 1.286 107 N CA 0.943 53.944 53.050 -0.082 0.000 0.896 107 N CB 0.204 38.679 38.487 -0.020 0.000 1.093 107 N HN 0.205 nan 8.380 nan 0.000 0.480 108 T N 2.484 116.916 114.554 -0.204 0.000 2.792 108 T HA 0.328 4.681 4.350 0.005 0.000 0.280 108 T C -0.264 174.331 174.700 -0.174 0.000 0.990 108 T CA -0.484 61.450 62.100 -0.276 0.000 0.960 108 T CB 1.793 70.329 68.868 -0.553 0.000 0.939 108 T HN 0.435 nan 8.240 nan 0.000 0.439 109 T N 1.122 115.573 114.554 -0.171 0.000 2.868 109 T HA 0.731 5.083 4.350 0.005 0.000 0.306 109 T C -1.682 172.971 174.700 -0.078 0.000 1.224 109 T CA -0.506 61.535 62.100 -0.099 0.000 1.012 109 T CB 1.360 70.188 68.868 -0.067 0.000 1.221 109 T HN 0.789 nan 8.240 nan 0.000 0.499 110 A N 3.355 126.160 122.820 -0.026 0.000 2.342 110 A HA 0.786 5.109 4.320 0.005 0.000 0.323 110 A C -0.927 176.700 177.584 0.073 0.000 1.125 110 A CA -0.678 51.361 52.037 0.004 0.000 0.785 110 A CB 0.754 19.727 19.000 -0.045 0.000 1.221 110 A HN 0.674 nan 8.150 nan 0.000 0.463 111 I N 2.542 123.206 120.570 0.156 0.000 2.330 111 I HA 0.230 4.403 4.170 0.005 0.000 0.289 111 I C -0.585 175.717 176.117 0.309 0.000 1.001 111 I CA -0.370 61.082 61.300 0.253 0.000 1.193 111 I CB 1.271 39.482 38.000 0.351 0.000 1.345 111 I HN 0.773 nan 8.210 nan 0.000 0.461 112 D N 7.033 127.587 120.400 0.256 0.000 2.428 112 D HA 0.233 4.876 4.640 0.005 0.000 0.221 112 D C -0.179 176.275 176.300 0.256 0.000 1.123 112 D CA -0.406 53.766 54.000 0.287 0.000 0.869 112 D CB 0.167 41.102 40.800 0.225 0.000 1.032 112 D HN 0.334 nan 8.370 nan 0.000 0.506 113 F N 1.858 121.891 119.950 0.139 0.000 2.928 113 F HA 0.509 5.039 4.527 0.004 0.000 0.337 113 F C 0.322 176.126 175.800 0.007 0.000 1.259 113 F CA -1.380 56.676 58.000 0.093 0.000 1.267 113 F CB -0.257 38.738 39.000 -0.008 0.000 0.986 113 F HN 0.030 nan 8.300 nan 0.000 0.507 114 R N 1.685 122.133 120.500 -0.087 0.000 2.679 114 R HA 0.274 4.617 4.340 0.005 0.000 0.269 114 R C -0.358 176.005 176.300 0.104 0.000 1.076 114 R CA -0.116 55.880 56.100 -0.174 0.000 1.160 114 R CB 0.426 30.662 30.300 -0.108 0.000 1.054 114 R HN 0.446 nan 8.270 nan 0.000 0.507 115 E N 2.408 122.616 120.200 0.014 0.000 2.354 115 E HA 0.165 4.518 4.350 0.005 0.000 0.269 115 E C -0.437 176.265 176.600 0.170 0.000 1.036 115 E CA 0.259 56.704 56.400 0.075 0.000 0.876 115 E CB 0.788 30.477 29.700 -0.018 0.000 1.009 115 E HN 0.430 nan 8.360 nan 0.000 0.416 116 M N 2.220 121.986 119.600 0.276 0.000 2.238 116 M HA 0.399 4.882 4.480 0.005 0.000 0.350 116 M C -0.083 176.302 176.300 0.143 0.000 1.138 116 M CA -0.718 54.717 55.300 0.225 0.000 1.040 116 M CB 1.671 34.462 32.600 0.319 0.000 1.639 116 M HN 0.603 nan 8.290 nan 0.000 0.451 117 A N 4.451 127.318 122.820 0.078 0.000 2.448 117 A HA 0.449 4.772 4.320 0.005 0.000 0.239 117 A C -2.430 175.203 177.584 0.082 0.000 1.080 117 A CA -0.942 51.134 52.037 0.064 0.000 0.779 117 A CB -0.749 18.265 19.000 0.023 0.000 1.026 117 A HN 0.477 nan 8.150 nan 0.000 0.499 118 P HA 0.249 nan 4.420 nan 0.000 0.271 118 P C 0.733 178.070 177.300 0.062 0.000 1.218 118 P CA 0.525 63.669 63.100 0.072 0.000 0.780 118 P CB 0.774 32.507 31.700 0.055 0.000 0.901 119 A N 3.169 126.032 122.820 0.071 0.000 1.978 119 A HA -0.223 4.099 4.320 0.005 0.000 0.220 119 A C 1.513 179.123 177.584 0.043 0.000 1.170 119 A CA 1.710 53.786 52.037 0.066 0.000 0.636 119 A CB -0.899 18.141 19.000 0.066 0.000 0.810 119 A HN 0.522 nan 8.150 nan 0.000 0.448 120 K N -0.044 120.373 120.400 0.029 0.000 2.476 120 K HA 0.381 4.704 4.320 0.005 0.000 0.196 120 K C 0.391 176.982 176.600 -0.014 0.000 1.025 120 K CA 0.250 56.543 56.287 0.009 0.000 1.138 120 K CB 0.069 32.574 32.500 0.007 0.000 0.860 120 K HN 0.462 nan 8.250 nan 0.000 0.515 121 A N 1.260 124.072 122.820 -0.013 0.000 2.371 121 A HA 0.324 4.647 4.320 0.005 0.000 0.257 121 A C 0.348 177.894 177.584 -0.063 0.000 1.089 121 A CA -0.207 51.797 52.037 -0.055 0.000 0.794 121 A CB 0.235 19.215 19.000 -0.033 0.000 1.029 121 A HN 0.272 nan 8.150 nan 0.000 0.488 122 T N -1.029 113.456 114.554 -0.116 0.000 2.906 122 T HA 0.472 4.824 4.350 0.005 0.000 0.295 122 T C 0.947 175.581 174.700 -0.110 0.000 1.061 122 T CA -0.670 61.376 62.100 -0.090 0.000 1.000 122 T CB 1.467 70.287 68.868 -0.080 0.000 1.103 122 T HN 0.711 nan 8.240 nan 0.000 0.486 123 R N 0.465 120.930 120.500 -0.058 0.000 2.112 123 R HA -0.163 4.179 4.340 0.005 0.000 0.242 123 R C 0.269 176.542 176.300 -0.045 0.000 1.137 123 R CA 2.398 58.477 56.100 -0.035 0.000 0.944 123 R CB -0.448 29.847 30.300 -0.008 0.000 0.857 123 R HN 0.712 nan 8.270 nan 0.000 0.435 124 D N 0.159 120.525 120.400 -0.057 0.000 2.358 124 D HA -0.009 4.634 4.640 0.005 0.000 0.224 124 D C 1.445 177.681 176.300 -0.107 0.000 1.123 124 D CA 0.181 54.154 54.000 -0.046 0.000 0.833 124 D CB 0.130 40.918 40.800 -0.022 0.000 0.946 124 D HN 0.500 nan 8.370 nan 0.000 0.505 125 M N -1.648 117.805 119.600 -0.246 0.000 2.260 125 M HA -0.110 4.373 4.480 0.005 0.000 0.261 125 M C 0.401 176.445 176.300 -0.426 0.000 1.066 125 M CA 1.492 56.553 55.300 -0.398 0.000 1.082 125 M CB -0.450 31.779 32.600 -0.618 0.000 1.388 125 M HN -0.171 nan 8.290 nan 0.000 0.419 126 F N 1.646 121.599 119.950 0.005 0.000 2.645 126 F HA 0.489 5.018 4.527 0.004 0.000 0.300 126 F C 0.117 175.919 175.800 0.004 0.000 1.115 126 F CA -0.586 57.417 58.000 0.004 0.000 1.355 126 F CB -0.339 38.661 39.000 0.001 0.000 1.026 126 F HN 0.025 nan 8.300 nan 0.000 0.536 127 L N 0.715 122.000 121.223 0.104 0.000 2.325 127 L HA 0.335 4.678 4.340 0.005 0.000 0.279 127 L C 0.199 177.099 176.870 0.051 0.000 1.054 127 L CA -1.065 53.818 54.840 0.073 0.000 0.804 127 L CB 1.009 43.093 42.059 0.041 0.000 1.200 127 L HN 0.086 nan 8.230 nan 0.000 0.436 128 D N -0.054 120.374 120.400 0.046 0.000 2.376 128 D HA 0.004 4.646 4.640 0.005 0.000 0.268 128 D C 0.435 176.748 176.300 0.022 0.000 1.252 128 D CA -0.416 53.604 54.000 0.034 0.000 1.041 128 D CB 0.541 41.360 40.800 0.031 0.000 1.109 128 D HN 0.383 nan 8.370 nan 0.000 0.552 129 D N -1.239 119.171 120.400 0.017 0.000 2.219 129 D HA -0.110 4.533 4.640 0.005 0.000 0.205 129 D C 1.676 177.983 176.300 0.011 0.000 0.970 129 D CA 0.828 54.835 54.000 0.011 0.000 0.851 129 D CB 0.032 40.837 40.800 0.009 0.000 0.943 129 D HN 0.356 nan 8.370 nan 0.000 0.488 130 Q N -0.348 119.459 119.800 0.013 0.000 2.432 130 Q HA 0.124 4.467 4.340 0.005 0.000 0.205 130 Q C 1.401 177.409 176.000 0.013 0.000 0.945 130 Q CA 0.634 56.444 55.803 0.011 0.000 0.924 130 Q CB 0.608 29.352 28.738 0.011 0.000 1.016 130 Q HN 0.336 nan 8.270 nan 0.000 0.503 131 G N 1.602 110.412 108.800 0.017 0.000 2.132 131 G HA2 -0.184 3.779 3.960 0.005 0.000 0.234 131 G HA3 -0.184 3.779 3.960 0.005 0.000 0.234 131 G C -0.148 174.766 174.900 0.024 0.000 0.989 131 G CA -0.172 44.940 45.100 0.019 0.000 0.676 131 G HN 0.249 nan 8.290 nan 0.000 0.522 132 N N 0.859 119.575 118.700 0.027 0.000 2.456 132 N HA 0.480 5.223 4.740 0.005 0.000 0.296 132 N C -2.948 172.588 175.510 0.043 0.000 1.102 132 N CA -1.459 51.609 53.050 0.029 0.000 0.924 132 N CB 1.679 40.178 38.487 0.021 0.000 1.186 132 N HN -0.036 nan 8.380 nan 0.000 0.492 133 P HA 0.006 nan 4.420 nan 0.000 0.266 133 P C -0.602 176.727 177.300 0.048 0.000 1.215 133 P CA 0.207 63.345 63.100 0.063 0.000 0.763 133 P CB 0.369 32.094 31.700 0.041 0.000 0.806 134 D N 2.300 122.745 120.400 0.075 0.000 2.396 134 D HA 0.064 4.707 4.640 0.005 0.000 0.225 134 D C 1.109 177.418 176.300 0.014 0.000 1.121 134 D CA -0.165 53.866 54.000 0.052 0.000 0.853 134 D CB 0.683 41.530 40.800 0.078 0.000 1.043 134 D HN 0.184 nan 8.370 nan 0.000 0.500 135 S N 4.340 120.029 115.700 -0.019 0.000 2.370 135 S HA -0.234 4.238 4.470 0.005 0.000 0.226 135 S C 1.809 176.373 174.600 -0.060 0.000 1.033 135 S CA 0.694 58.857 58.200 -0.062 0.000 1.011 135 S CB -0.221 62.951 63.200 -0.047 0.000 0.852 135 S HN 0.486 nan 8.310 nan 0.000 0.457 136 K N 1.980 122.369 120.400 -0.017 0.000 2.074 136 K HA -0.156 4.167 4.320 0.005 0.000 0.209 136 K C 1.882 178.490 176.600 0.012 0.000 1.048 136 K CA 1.810 58.097 56.287 -0.001 0.000 0.926 136 K CB -0.428 32.083 32.500 0.018 0.000 0.713 136 K HN 0.484 nan 8.250 nan 0.000 0.444 137 K N 0.509 120.936 120.400 0.045 0.000 2.097 137 K HA -0.053 4.270 4.320 0.005 0.000 0.205 137 K C 2.034 178.667 176.600 0.054 0.000 1.050 137 K CA 1.631 57.995 56.287 0.128 0.000 0.938 137 K CB -0.057 32.594 32.500 0.252 0.000 0.718 137 K HN 0.341 nan 8.250 nan 0.000 0.442 138 S N -0.343 115.213 115.700 -0.241 0.000 2.575 138 S HA 0.132 4.605 4.470 0.005 0.000 0.215 138 S C 1.517 175.913 174.600 -0.340 0.000 0.966 138 S CA 0.138 57.928 58.200 -0.683 0.000 0.911 138 S CB 0.108 62.664 63.200 -1.073 0.000 0.780 138 S HN 0.146 nan 8.310 nan 0.000 0.514 139 L N 0.604 121.722 121.223 -0.175 0.000 2.694 139 L HA 0.197 4.540 4.340 0.005 0.000 0.228 139 L C 2.322 179.146 176.870 -0.077 0.000 1.048 139 L CA 1.001 55.768 54.840 -0.122 0.000 0.887 139 L CB 0.132 42.132 42.059 -0.100 0.000 1.265 139 L HN 0.488 nan 8.230 nan 0.000 0.492 140 T N -3.963 110.568 114.554 -0.038 0.000 2.969 140 T HA 0.119 4.471 4.350 0.005 0.000 0.250 140 T C 1.001 175.714 174.700 0.022 0.000 1.021 140 T CA 0.300 62.395 62.100 -0.009 0.000 1.003 140 T CB 0.060 68.944 68.868 0.028 0.000 1.040 140 T HN 0.182 nan 8.240 nan 0.000 0.492 141 S N 0.926 116.660 115.700 0.055 0.000 2.634 141 S HA 0.238 4.711 4.470 0.005 0.000 0.261 141 S C 0.684 175.340 174.600 0.093 0.000 1.271 141 S CA -0.297 57.980 58.200 0.129 0.000 0.985 141 S CB 0.328 63.621 63.200 0.155 0.000 0.968 141 S HN 0.319 nan 8.310 nan 0.000 0.568 142 H N 0.096 119.201 119.070 0.058 0.000 2.561 142 H HA 0.224 4.783 4.556 0.005 0.000 0.278 142 H C 1.125 176.490 175.328 0.062 0.000 1.014 142 H CA 0.939 57.010 56.048 0.039 0.000 1.211 142 H CB -0.478 29.303 29.762 0.032 0.000 1.365 142 H HN 0.412 nan 8.280 nan 0.000 0.594 143 L N -0.782 120.564 121.223 0.205 0.000 2.558 143 L HA 0.124 4.467 4.340 0.005 0.000 0.225 143 L C 2.172 179.232 176.870 0.317 0.000 1.128 143 L CA 0.449 55.428 54.840 0.232 0.000 0.868 143 L CB -0.067 42.144 42.059 0.254 0.000 1.006 143 L HN 0.273 nan 8.230 nan 0.000 0.454 144 A N -0.774 122.151 122.820 0.176 0.000 2.167 144 A HA 0.051 4.374 4.320 0.005 0.000 0.214 144 A C 1.242 178.851 177.584 0.042 0.000 1.151 144 A CA 0.258 52.332 52.037 0.063 0.000 0.735 144 A CB -0.110 18.855 19.000 -0.058 0.000 0.802 144 A HN 0.281 nan 8.150 nan 0.000 0.467 145 S N -0.101 115.629 115.700 0.049 0.000 2.565 145 S HA 0.525 4.998 4.470 0.005 0.000 0.274 145 S C 0.417 175.048 174.600 0.052 0.000 1.309 145 S CA -0.096 58.117 58.200 0.021 0.000 1.043 145 S CB 1.432 64.630 63.200 -0.005 0.000 0.939 145 S HN 0.570 nan 8.310 nan 0.000 0.504 146 G N 0.876 109.693 108.800 0.030 0.000 2.454 146 G HA2 0.500 4.463 3.960 0.005 0.000 0.329 146 G HA3 0.500 4.463 3.960 0.005 0.000 0.329 146 G C -0.616 174.304 174.900 0.034 0.000 1.177 146 G CA -0.679 44.448 45.100 0.045 0.000 0.951 146 G HN 0.556 nan 8.290 nan 0.000 0.485 147 T N 3.395 117.988 114.554 0.065 0.000 2.793 147 T HA 0.227 4.579 4.350 0.005 0.000 0.289 147 T C -2.146 172.495 174.700 -0.099 0.000 0.956 147 T CA -0.124 62.008 62.100 0.055 0.000 1.177 147 T CB 0.730 69.699 68.868 0.169 0.000 0.897 147 T HN 0.183 nan 8.240 nan 0.000 0.533 148 P HA 0.156 nan 4.420 nan 0.000 0.265 148 P C 0.802 177.813 177.300 -0.481 0.000 1.193 148 P CA 0.082 63.077 63.100 -0.175 0.000 0.765 148 P CB 0.489 32.199 31.700 0.016 0.000 0.823 149 G N 1.450 109.989 108.800 -0.434 0.000 3.062 149 G HA2 -0.042 3.921 3.960 0.005 0.000 0.228 149 G HA3 -0.042 3.921 3.960 0.005 0.000 0.228 149 G C 1.148 175.969 174.900 -0.132 0.000 1.094 149 G CA 0.122 44.991 45.100 -0.385 0.000 0.782 149 G HN 0.341 nan 8.290 nan 0.000 0.541 150 T N 1.400 115.773 114.554 -0.302 0.000 2.635 150 T HA -0.188 4.165 4.350 0.005 0.000 0.267 150 T C 2.564 176.732 174.700 -0.888 0.000 1.040 150 T CA 1.684 63.328 62.100 -0.759 0.000 1.156 150 T CB -0.308 68.135 68.868 -0.709 0.000 0.863 150 T HN 0.035 nan 8.240 nan 0.000 0.430 151 V N 1.645 121.186 119.914 -0.622 0.000 2.332 151 V HA -0.226 3.896 4.120 0.005 0.000 0.248 151 V C 2.824 178.880 176.094 -0.063 0.000 1.055 151 V CA 1.802 63.905 62.300 -0.327 0.000 1.038 151 V CB -1.291 30.247 31.823 -0.475 0.000 0.651 151 V HN 0.571 nan 8.190 nan 0.000 0.450 152 A N 0.536 123.375 122.820 0.032 0.000 1.835 152 A HA -0.114 4.209 4.320 0.005 0.000 0.215 152 A C 2.490 180.072 177.584 -0.003 0.000 1.199 152 A CA 2.081 54.148 52.037 0.050 0.000 0.615 152 A CB -1.506 17.575 19.000 0.134 0.000 0.838 152 A HN 0.520 nan 8.150 nan 0.000 0.444 153 G N -1.196 107.541 108.800 -0.104 0.000 2.469 153 G HA2 -0.223 3.740 3.960 0.005 0.000 0.219 153 G HA3 -0.223 3.740 3.960 0.005 0.000 0.219 153 G C 1.334 176.139 174.900 -0.159 0.000 1.150 153 G CA 1.281 46.274 45.100 -0.179 0.000 0.763 153 G HN 0.355 nan 8.290 nan 0.000 0.561 154 F N 1.441 121.154 119.950 -0.395 0.000 2.146 154 F HA 0.031 4.560 4.527 0.004 0.000 0.298 154 F C 3.027 178.807 175.800 -0.035 0.000 1.096 154 F CA 0.870 58.741 58.000 -0.216 0.000 1.275 154 F CB -0.884 38.001 39.000 -0.191 0.000 1.008 154 F HN 0.118 nan 8.300 nan 0.000 0.480 155 S N 0.253 116.069 115.700 0.194 0.000 2.387 155 S HA -0.102 4.371 4.470 0.005 0.000 0.226 155 S C 2.235 176.895 174.600 0.099 0.000 1.026 155 S CA 0.550 58.835 58.200 0.142 0.000 0.972 155 S CB -0.470 62.807 63.200 0.129 0.000 0.814 155 S HN 0.337 nan 8.310 nan 0.000 0.477 156 L N 1.237 122.515 121.223 0.092 0.000 1.976 156 L HA -0.159 4.184 4.340 0.005 0.000 0.209 156 L C 2.508 179.446 176.870 0.113 0.000 1.071 156 L CA 1.704 56.593 54.840 0.081 0.000 0.746 156 L CB -0.680 41.435 42.059 0.094 0.000 0.890 156 L HN 0.350 nan 8.230 nan 0.000 0.432 157 A N -0.285 122.642 122.820 0.178 0.000 1.908 157 A HA -0.263 4.059 4.320 0.005 0.000 0.218 157 A C 2.154 179.854 177.584 0.193 0.000 1.181 157 A CA 2.009 54.202 52.037 0.260 0.000 0.627 157 A CB -0.924 18.222 19.000 0.243 0.000 0.818 157 A HN 0.501 nan 8.150 nan 0.000 0.445 158 L N 0.054 121.353 121.223 0.127 0.000 2.046 158 L HA -0.161 4.182 4.340 0.005 0.000 0.208 158 L C 1.730 178.629 176.870 0.049 0.000 1.077 158 L CA 2.448 57.337 54.840 0.081 0.000 0.747 158 L CB -0.547 41.552 42.059 0.066 0.000 0.896 158 L HN 0.376 nan 8.230 nan 0.000 0.432 159 D N -0.604 119.815 120.400 0.033 0.000 2.117 159 D HA -0.212 4.431 4.640 0.005 0.000 0.198 159 D C 2.048 178.312 176.300 -0.059 0.000 0.982 159 D CA 1.403 55.399 54.000 -0.006 0.000 0.828 159 D CB 0.019 40.815 40.800 -0.005 0.000 0.967 159 D HN 0.395 nan 8.370 nan 0.000 0.464 160 K N -0.522 119.810 120.400 -0.114 0.000 2.098 160 K HA -0.085 4.238 4.320 0.005 0.000 0.203 160 K C 1.309 177.654 176.600 -0.426 0.000 1.051 160 K CA 0.815 56.906 56.287 -0.327 0.000 0.957 160 K CB 0.137 32.333 32.500 -0.507 0.000 0.738 160 K HN 0.088 nan 8.250 nan 0.000 0.447 161 Y N -0.388 119.921 120.300 0.016 0.000 2.445 161 Y HA 0.326 4.878 4.550 0.003 0.000 0.247 161 Y C 1.084 176.986 175.900 0.005 0.000 1.129 161 Y CA -0.207 57.900 58.100 0.011 0.000 1.251 161 Y CB 0.685 39.154 38.460 0.016 0.000 1.176 161 Y HN 0.051 nan 8.280 nan 0.000 0.522 162 G N -0.229 108.642 108.800 0.117 0.000 2.532 162 G HA2 0.402 4.365 3.960 0.005 0.000 0.291 162 G HA3 0.402 4.365 3.960 0.005 0.000 0.291 162 G C 0.677 175.599 174.900 0.035 0.000 1.349 162 G CA 0.266 45.406 45.100 0.067 0.000 1.038 162 G HN 0.161 nan 8.290 nan 0.000 0.518 163 T N -3.695 110.871 114.554 0.020 0.000 3.130 163 T HA 0.347 4.700 4.350 0.005 0.000 0.288 163 T C 0.561 175.261 174.700 0.000 0.000 0.936 163 T CA -0.149 61.957 62.100 0.009 0.000 0.897 163 T CB -0.089 68.785 68.868 0.010 0.000 1.178 163 T HN 0.272 nan 8.240 nan 0.000 0.543 164 M N 2.878 122.477 119.600 -0.003 0.000 2.578 164 M HA 0.547 5.030 4.480 0.005 0.000 0.321 164 M C -2.630 173.661 176.300 -0.015 0.000 1.182 164 M CA -2.346 52.948 55.300 -0.011 0.000 0.965 164 M CB 1.851 34.440 32.600 -0.017 0.000 1.694 164 M HN -0.101 nan 8.290 nan 0.000 0.461 165 P HA 0.056 nan 4.420 nan 0.000 0.275 165 P C 0.383 177.659 177.300 -0.039 0.000 1.228 165 P CA -0.421 62.664 63.100 -0.024 0.000 0.786 165 P CB 1.026 32.711 31.700 -0.026 0.000 0.927 166 L N 3.675 124.875 121.223 -0.039 0.000 2.043 166 L HA -0.292 4.050 4.340 0.005 0.000 0.212 166 L C 1.982 178.777 176.870 -0.125 0.000 1.075 166 L CA 2.585 57.382 54.840 -0.070 0.000 0.752 166 L CB -1.586 40.446 42.059 -0.044 0.000 0.891 166 L HN 0.477 nan 8.230 nan 0.000 0.432 167 N N -0.482 118.158 118.700 -0.101 0.000 2.149 167 N HA -0.288 4.454 4.740 0.005 0.000 0.188 167 N C 1.709 177.155 175.510 -0.107 0.000 1.019 167 N CA 1.634 54.614 53.050 -0.118 0.000 0.857 167 N CB -0.571 37.861 38.487 -0.092 0.000 0.997 167 N HN 0.380 nan 8.380 nan 0.000 0.426 168 K N 1.231 121.585 120.400 -0.078 0.000 2.057 168 K HA -0.034 4.288 4.320 0.005 0.000 0.206 168 K C 1.723 178.285 176.600 -0.063 0.000 1.050 168 K CA 1.558 57.811 56.287 -0.057 0.000 0.935 168 K CB -0.570 31.907 32.500 -0.039 0.000 0.715 168 K HN 0.279 nan 8.250 nan 0.000 0.439 169 V N -1.705 118.157 119.914 -0.086 0.000 3.217 169 V HA 0.049 4.171 4.120 0.005 0.000 0.264 169 V C 1.736 177.749 176.094 -0.135 0.000 1.135 169 V CA 1.052 63.300 62.300 -0.087 0.000 1.142 169 V CB -0.024 31.754 31.823 -0.075 0.000 0.754 169 V HN 0.062 nan 8.190 nan 0.000 0.484 170 V N -0.245 119.529 119.914 -0.234 0.000 3.174 170 V HA -0.027 4.095 4.120 0.005 0.000 0.254 170 V C 2.486 178.534 176.094 -0.078 0.000 1.120 170 V CA 1.267 63.368 62.300 -0.331 0.000 1.114 170 V CB 0.173 31.652 31.823 -0.572 0.000 0.756 170 V HN 0.540 nan 8.190 nan 0.000 0.467 171 Q N 1.011 120.791 119.800 -0.034 0.000 2.112 171 Q HA -0.175 4.168 4.340 0.005 0.000 0.206 171 Q C -0.221 175.860 176.000 0.134 0.000 0.987 171 Q CA 2.492 58.343 55.803 0.081 0.000 0.858 171 Q CB -1.347 27.419 28.738 0.045 0.000 0.905 171 Q HN 0.444 nan 8.270 nan 0.000 0.420 172 P HA -0.142 nan 4.420 nan 0.000 0.215 172 P C 0.667 178.012 177.300 0.076 0.000 1.157 172 P CA 2.112 65.248 63.100 0.060 0.000 0.868 172 P CB -0.292 31.426 31.700 0.031 0.000 0.788 173 A N -1.050 121.833 122.820 0.105 0.000 1.902 173 A HA -0.211 4.112 4.320 0.005 0.000 0.217 173 A C 2.108 179.787 177.584 0.159 0.000 1.181 173 A CA 1.369 53.487 52.037 0.135 0.000 0.623 173 A CB -1.871 17.259 19.000 0.217 0.000 0.818 173 A HN 0.142 nan 8.150 nan 0.000 0.443 174 F N 1.088 121.063 119.950 0.041 0.000 2.091 174 F HA -0.208 4.322 4.527 0.005 0.000 0.299 174 F C 2.078 177.907 175.800 0.048 0.000 1.103 174 F CA 2.251 60.274 58.000 0.039 0.000 1.228 174 F CB -0.321 38.684 39.000 0.008 0.000 0.984 174 F HN 0.157 nan 8.300 nan 0.000 0.477 175 K N 0.198 120.491 120.400 -0.180 0.000 2.097 175 K HA -0.136 4.186 4.320 0.005 0.000 0.206 175 K C 2.166 178.671 176.600 -0.158 0.000 1.049 175 K CA 1.705 57.831 56.287 -0.268 0.000 0.933 175 K CB -0.452 32.010 32.500 -0.063 0.000 0.717 175 K HN 0.356 nan 8.250 nan 0.000 0.442 176 L N 0.445 121.645 121.223 -0.039 0.000 2.083 176 L HA -0.188 4.155 4.340 0.005 0.000 0.209 176 L C 2.538 179.471 176.870 0.106 0.000 1.083 176 L CA 1.097 55.971 54.840 0.056 0.000 0.752 176 L CB -0.459 41.624 42.059 0.040 0.000 0.899 176 L HN 0.214 nan 8.230 nan 0.000 0.433 177 A N -0.224 122.615 122.820 0.032 0.000 1.874 177 A HA -0.176 4.147 4.320 0.005 0.000 0.214 177 A C 2.430 179.976 177.584 -0.064 0.000 1.189 177 A CA 1.242 53.307 52.037 0.046 0.000 0.615 177 A CB -0.453 18.591 19.000 0.073 0.000 0.830 177 A HN 0.291 nan 8.150 nan 0.000 0.443 178 R N -0.199 120.154 120.500 -0.244 0.000 2.070 178 R HA -0.152 4.190 4.340 0.005 0.000 0.233 178 R C 0.921 177.127 176.300 -0.157 0.000 1.137 178 R CA 1.981 57.913 56.100 -0.280 0.000 0.945 178 R CB -0.270 29.668 30.300 -0.603 0.000 0.845 178 R HN 0.442 nan 8.270 nan 0.000 0.430 179 D N -0.698 119.620 120.400 -0.136 0.000 2.348 179 D HA 0.133 4.776 4.640 0.005 0.000 0.211 179 D C 0.820 177.105 176.300 -0.024 0.000 0.998 179 D CA 1.018 54.977 54.000 -0.069 0.000 0.873 179 D CB 0.447 41.213 40.800 -0.056 0.000 0.925 179 D HN 0.503 nan 8.370 nan 0.000 0.524 180 G N 1.125 109.934 108.800 0.015 0.000 2.829 180 G HA2 -0.058 3.905 3.960 0.005 0.000 0.628 180 G HA3 -0.058 3.905 3.960 0.005 0.000 0.628 180 G C -0.495 174.489 174.900 0.141 0.000 1.412 180 G CA -0.361 44.754 45.100 0.026 0.000 0.864 180 G HN 0.291 nan 8.290 nan 0.000 0.544 181 F N -2.205 117.745 119.950 0.001 0.000 2.662 181 F HA 0.806 5.336 4.527 0.005 0.000 0.312 181 F C -0.163 175.647 175.800 0.017 0.000 1.113 181 F CA -1.962 56.045 58.000 0.011 0.000 0.951 181 F CB 0.970 39.984 39.000 0.024 0.000 1.344 181 F HN 0.568 nan 8.300 nan 0.000 0.462 182 I N 2.812 123.473 120.570 0.152 0.000 2.496 182 I HA 0.234 4.406 4.170 0.005 0.000 0.285 182 I C -0.168 176.017 176.117 0.114 0.000 1.080 182 I CA -0.863 60.468 61.300 0.051 0.000 1.404 182 I CB 1.148 39.193 38.000 0.074 0.000 1.403 182 I HN 0.398 nan 8.210 nan 0.000 0.539 183 V N 7.232 127.138 119.914 -0.014 0.000 2.529 183 V HA -0.015 4.108 4.120 0.005 0.000 0.292 183 V C 0.434 176.583 176.094 0.093 0.000 1.028 183 V CA -0.261 62.071 62.300 0.053 0.000 1.074 183 V CB 0.247 32.059 31.823 -0.019 0.000 0.958 183 V HN 0.897 nan 8.190 nan 0.000 0.481 184 N N 3.467 122.252 118.700 0.142 0.000 2.566 184 N HA 0.235 4.978 4.740 0.005 0.000 0.299 184 N C 0.610 176.167 175.510 0.078 0.000 1.277 184 N CA -0.704 52.407 53.050 0.102 0.000 0.965 184 N CB 0.388 38.943 38.487 0.113 0.000 1.142 184 N HN 0.421 nan 8.380 nan 0.000 0.596 185 D N -0.596 119.842 120.400 0.063 0.000 2.097 185 D HA -0.135 4.507 4.640 0.005 0.000 0.195 185 D C 1.711 178.049 176.300 0.065 0.000 0.989 185 D CA 1.869 55.899 54.000 0.050 0.000 0.827 185 D CB -0.380 40.444 40.800 0.041 0.000 0.966 185 D HN 0.654 nan 8.370 nan 0.000 0.456 186 A N 1.467 124.338 122.820 0.085 0.000 1.859 186 A HA -0.203 4.120 4.320 0.005 0.000 0.217 186 A C 2.214 179.869 177.584 0.119 0.000 1.198 186 A CA 1.333 53.435 52.037 0.109 0.000 0.629 186 A CB -0.942 18.137 19.000 0.131 0.000 0.830 186 A HN 0.231 nan 8.150 nan 0.000 0.446 187 L N -0.311 120.995 121.223 0.138 0.000 2.017 187 L HA -0.076 4.267 4.340 0.005 0.000 0.208 187 L C 2.715 179.633 176.870 0.080 0.000 1.073 187 L CA 2.342 57.261 54.840 0.130 0.000 0.745 187 L CB -0.988 41.191 42.059 0.200 0.000 0.894 187 L HN 0.385 nan 8.230 nan 0.000 0.432 188 A N -0.713 122.142 122.820 0.059 0.000 1.883 188 A HA -0.243 4.079 4.320 0.005 0.000 0.217 188 A C 1.997 179.581 177.584 0.000 0.000 1.186 188 A CA 2.019 54.062 52.037 0.010 0.000 0.624 188 A CB -0.928 18.071 19.000 -0.001 0.000 0.822 188 A HN 0.542 nan 8.150 nan 0.000 0.444 189 D N 0.165 120.579 120.400 0.023 0.000 2.117 189 D HA -0.113 4.529 4.640 0.005 0.000 0.197 189 D C 1.445 177.763 176.300 0.030 0.000 0.987 189 D CA 1.371 55.380 54.000 0.015 0.000 0.829 189 D CB -0.422 40.399 40.800 0.035 0.000 0.961 189 D HN 0.392 nan 8.370 nan 0.000 0.460 190 D N 0.135 120.591 120.400 0.093 0.000 2.117 190 D HA -0.070 4.573 4.640 0.005 0.000 0.198 190 D C 2.380 178.760 176.300 0.133 0.000 0.982 190 D CA 0.302 54.412 54.000 0.183 0.000 0.828 190 D CB -0.190 40.703 40.800 0.156 0.000 0.967 190 D HN 0.211 nan 8.370 nan 0.000 0.464 191 L N 0.438 121.702 121.223 0.067 0.000 2.042 191 L HA -0.215 4.128 4.340 0.005 0.000 0.210 191 L C 2.415 179.327 176.870 0.071 0.000 1.076 191 L CA 1.119 56.002 54.840 0.072 0.000 0.749 191 L CB -0.238 41.821 42.059 -0.000 0.000 0.893 191 L HN -0.039 nan 8.230 nan 0.000 0.432 192 K N -0.273 120.114 120.400 -0.022 0.000 2.001 192 K HA -0.111 4.212 4.320 0.005 0.000 0.208 192 K C 1.986 178.564 176.600 -0.036 0.000 1.048 192 K CA 2.035 58.298 56.287 -0.041 0.000 0.932 192 K CB -0.501 31.952 32.500 -0.079 0.000 0.715 192 K HN 0.095 nan 8.250 nan 0.000 0.437 193 T N -0.329 114.141 114.554 -0.141 0.000 2.737 193 T HA -0.077 4.275 4.350 0.005 0.000 0.265 193 T C 1.358 175.792 174.700 -0.444 0.000 1.038 193 T CA 1.729 63.608 62.100 -0.369 0.000 1.144 193 T CB -0.322 68.156 68.868 -0.649 0.000 0.866 193 T HN 0.202 nan 8.240 nan 0.000 0.434 194 Y N 0.261 120.582 120.300 0.036 0.000 2.559 194 Y HA 0.393 4.946 4.550 0.005 0.000 0.279 194 Y C 2.687 178.612 175.900 0.042 0.000 1.117 194 Y CA -0.235 57.878 58.100 0.022 0.000 1.263 194 Y CB -0.822 37.631 38.460 -0.011 0.000 1.230 194 Y HN 0.207 nan 8.280 nan 0.000 0.528 195 G N -0.272 108.662 108.800 0.224 0.000 2.422 195 G HA2 -0.242 3.721 3.960 0.005 0.000 0.218 195 G HA3 -0.242 3.721 3.960 0.005 0.000 0.218 195 G C 1.783 176.840 174.900 0.262 0.000 1.146 195 G CA 1.379 46.620 45.100 0.234 0.000 0.769 195 G HN 0.341 nan 8.290 nan 0.000 0.547 196 S N 0.785 116.718 115.700 0.388 0.000 2.402 196 S HA -0.127 4.346 4.470 0.005 0.000 0.233 196 S C 2.033 176.676 174.600 0.071 0.000 1.030 196 S CA 1.429 59.827 58.200 0.331 0.000 1.003 196 S CB -0.217 63.161 63.200 0.295 0.000 0.813 196 S HN 0.637 nan 8.310 nan 0.000 0.477 197 E N 0.387 120.626 120.200 0.064 0.000 2.427 197 E HA -0.031 4.322 4.350 0.005 0.000 0.196 197 E C 1.734 178.334 176.600 0.001 0.000 1.028 197 E CA 1.160 57.576 56.400 0.027 0.000 0.864 197 E CB 0.055 29.784 29.700 0.048 0.000 0.813 197 E HN 0.643 nan 8.360 nan 0.000 0.514 198 V N -3.640 116.264 119.914 -0.016 0.000 3.177 198 V HA 0.047 4.170 4.120 0.005 0.000 0.220 198 V C 1.960 178.047 176.094 -0.011 0.000 1.395 198 V CA -0.221 62.083 62.300 0.007 0.000 1.317 198 V CB -0.491 31.337 31.823 0.009 0.000 1.148 198 V HN 0.039 nan 8.190 nan 0.000 0.499 199 L N 1.671 122.820 121.223 -0.123 0.000 2.013 199 L HA -0.028 4.315 4.340 0.005 0.000 0.212 199 L C 0.050 176.704 176.870 -0.361 0.000 1.073 199 L CA 2.537 57.269 54.840 -0.181 0.000 0.753 199 L CB -1.788 40.173 42.059 -0.163 0.000 0.890 199 L HN 0.382 nan 8.230 nan 0.000 0.432 200 P HA -0.078 nan 4.420 nan 0.000 0.237 200 P C 0.482 177.564 177.300 -0.363 0.000 1.178 200 P CA 1.008 63.658 63.100 -0.750 0.000 0.766 200 P CB -0.089 30.978 31.700 -1.055 0.000 0.876 201 N N -0.542 117.996 118.700 -0.271 0.000 2.467 201 N HA -0.029 4.713 4.740 0.005 0.000 0.184 201 N C -0.167 174.991 175.510 -0.586 0.000 1.106 201 N CA 0.583 53.415 53.050 -0.363 0.000 0.892 201 N CB -0.299 37.965 38.487 -0.371 0.000 0.969 201 N HN 0.438 nan 8.380 nan 0.000 0.454 202 H N -0.451 118.562 119.070 -0.095 0.000 2.658 202 H HA 0.258 4.817 4.556 0.005 0.000 0.337 202 H C 0.619 175.925 175.328 -0.036 0.000 1.009 202 H CA -0.586 55.439 56.048 -0.038 0.000 1.231 202 H CB 1.635 31.388 29.762 -0.015 0.000 1.508 202 H HN -0.087 nan 8.280 nan 0.000 0.517 203 E N 2.135 122.365 120.200 0.049 0.000 2.086 203 E HA -0.292 4.060 4.350 0.005 0.000 0.200 203 E C 1.264 177.892 176.600 0.046 0.000 1.012 203 E CA 1.941 58.357 56.400 0.028 0.000 0.812 203 E CB 0.027 29.738 29.700 0.019 0.000 0.743 203 E HN 0.795 nan 8.360 nan 0.000 0.453 204 N N 0.002 118.743 118.700 0.069 0.000 2.188 204 N HA -0.097 4.645 4.740 0.005 0.000 0.184 204 N C 1.861 177.410 175.510 0.065 0.000 1.018 204 N CA 1.095 54.177 53.050 0.053 0.000 0.858 204 N CB -0.077 38.441 38.487 0.051 0.000 0.989 204 N HN -0.096 nan 8.380 nan 0.000 0.426 205 S N 1.185 116.954 115.700 0.115 0.000 2.355 205 S HA -0.112 4.361 4.470 0.005 0.000 0.222 205 S C 1.812 176.535 174.600 0.204 0.000 1.031 205 S CA 0.776 59.096 58.200 0.200 0.000 0.993 205 S CB -0.263 63.049 63.200 0.187 0.000 0.859 205 S HN 0.353 nan 8.310 nan 0.000 0.453 206 K N 1.494 121.946 120.400 0.087 0.000 2.097 206 K HA -0.051 4.272 4.320 0.005 0.000 0.206 206 K C 2.166 178.844 176.600 0.129 0.000 1.049 206 K CA 1.137 57.455 56.287 0.052 0.000 0.933 206 K CB -0.338 32.112 32.500 -0.084 0.000 0.717 206 K HN 0.314 nan 8.250 nan 0.000 0.442 207 A N 0.737 123.593 122.820 0.060 0.000 2.019 207 A HA -0.111 4.212 4.320 0.005 0.000 0.219 207 A C 1.909 179.477 177.584 -0.027 0.000 1.164 207 A CA 1.274 53.328 52.037 0.028 0.000 0.644 207 A CB -0.354 18.649 19.000 0.004 0.000 0.805 207 A HN 0.338 nan 8.150 nan 0.000 0.449 208 I N -2.991 117.513 120.570 -0.108 0.000 2.628 208 I HA 0.012 4.185 4.170 0.005 0.000 0.255 208 I C 1.460 177.300 176.117 -0.463 0.000 1.119 208 I CA 0.744 61.813 61.300 -0.386 0.000 1.448 208 I CB 0.008 37.577 38.000 -0.718 0.000 1.133 208 I HN 0.263 nan 8.210 nan 0.000 0.438 209 F N -0.953 119.109 119.950 0.187 0.000 2.731 209 F HA 0.166 4.696 4.527 0.005 0.000 0.298 209 F C 0.844 176.867 175.800 0.372 0.000 1.106 209 F CA -0.324 57.830 58.000 0.258 0.000 1.329 209 F CB 0.029 39.225 39.000 0.326 0.000 1.100 209 F HN -0.026 nan 8.300 nan 0.000 0.592 210 W N 1.694 123.063 121.300 0.114 0.000 2.570 210 W HA 0.471 5.134 4.660 0.004 0.000 0.337 210 W C -0.297 176.235 176.519 0.021 0.000 1.067 210 W CA -0.965 56.422 57.345 0.070 0.000 1.229 210 W CB 1.664 31.164 29.460 0.067 0.000 1.355 210 W HN -0.386 nan 8.180 nan 0.000 0.555 211 K N 2.619 123.020 120.400 0.002 0.000 2.535 211 K HA 0.112 4.434 4.320 0.005 0.000 0.250 211 K C -0.369 176.216 176.600 -0.025 0.000 0.948 211 K CA -0.285 55.997 56.287 -0.008 0.000 0.796 211 K CB 1.240 33.705 32.500 -0.058 0.000 1.216 211 K HN 0.628 nan 8.250 nan 0.000 0.432 212 E N 2.334 122.547 120.200 0.022 0.000 2.297 212 E HA -0.265 4.088 4.350 0.005 0.000 0.228 212 E C 0.410 177.036 176.600 0.044 0.000 1.213 212 E CA 0.750 57.163 56.400 0.022 0.000 0.712 212 E CB -1.479 28.215 29.700 -0.010 0.000 1.202 212 E HN 1.144 nan 8.360 nan 0.000 0.376 213 G N -0.551 108.328 108.800 0.131 0.000 2.168 213 G HA2 -0.336 3.626 3.960 0.005 0.000 0.263 213 G HA3 -0.336 3.626 3.960 0.005 0.000 0.263 213 G C 0.027 175.047 174.900 0.200 0.000 0.977 213 G CA 0.967 46.199 45.100 0.219 0.000 0.659 213 G HN 0.323 nan 8.290 nan 0.000 0.533 214 E N -0.057 120.077 120.200 -0.110 0.000 2.416 214 E HA 0.462 4.815 4.350 0.005 0.000 0.273 214 E C -2.734 173.130 176.600 -1.227 0.000 0.935 214 E CA -1.834 54.284 56.400 -0.469 0.000 0.784 214 E CB 2.461 32.009 29.700 -0.254 0.000 1.301 214 E HN 0.123 nan 8.360 nan 0.000 0.454 215 P HA 0.129 nan 4.420 nan 0.000 0.272 215 P C 0.199 177.110 177.300 -0.649 0.000 1.223 215 P CA -0.212 61.925 63.100 -1.605 0.000 0.784 215 P CB 0.740 31.704 31.700 -1.226 0.000 0.923 216 L N 2.288 123.287 121.223 -0.373 0.000 2.543 216 L HA -0.002 4.341 4.340 0.005 0.000 0.285 216 L C 1.386 178.156 176.870 -0.167 0.000 1.236 216 L CA 0.570 55.297 54.840 -0.188 0.000 0.871 216 L CB -0.234 41.777 42.059 -0.080 0.000 1.121 216 L HN 0.290 nan 8.230 nan 0.000 0.501 217 K N 3.052 123.374 120.400 -0.129 0.000 2.139 217 K HA 0.291 4.614 4.320 0.005 0.000 0.243 217 K C -0.435 176.130 176.600 -0.059 0.000 0.983 217 K CA -1.017 55.212 56.287 -0.097 0.000 0.890 217 K CB 1.057 33.503 32.500 -0.090 0.000 1.090 217 K HN 0.360 nan 8.250 nan 0.000 0.445 218 K N 0.158 120.536 120.400 -0.037 0.000 2.484 218 K HA 0.013 4.335 4.320 0.005 0.000 0.280 218 K C 0.714 177.303 176.600 -0.019 0.000 1.013 218 K CA 1.433 57.712 56.287 -0.013 0.000 1.029 218 K CB -0.162 32.337 32.500 -0.003 0.000 0.902 218 K HN 0.771 nan 8.250 nan 0.000 0.481 219 G N 3.120 111.914 108.800 -0.011 0.000 2.284 219 G HA2 -0.214 3.749 3.960 0.005 0.000 0.230 219 G HA3 -0.214 3.749 3.960 0.005 0.000 0.230 219 G C -0.130 174.749 174.900 -0.034 0.000 1.021 219 G CA 0.154 45.244 45.100 -0.016 0.000 0.619 219 G HN 0.716 nan 8.290 nan 0.000 0.510 220 D N 1.062 121.430 120.400 -0.053 0.000 2.363 220 D HA 0.513 5.156 4.640 0.005 0.000 0.240 220 D C 0.442 176.680 176.300 -0.105 0.000 1.236 220 D CA 0.773 54.728 54.000 -0.075 0.000 0.927 220 D CB 0.697 41.445 40.800 -0.087 0.000 1.150 220 D HN 0.124 nan 8.370 nan 0.000 0.458 221 T N 1.120 115.600 114.554 -0.124 0.000 2.794 221 T HA 0.382 4.735 4.350 0.005 0.000 0.280 221 T C -0.407 174.144 174.700 -0.248 0.000 0.987 221 T CA -0.589 61.404 62.100 -0.178 0.000 0.993 221 T CB 0.927 69.724 68.868 -0.120 0.000 0.939 221 T HN 0.078 nan 8.240 nan 0.000 0.449 222 L N 5.607 126.562 121.223 -0.447 0.000 2.276 222 L HA 0.645 4.988 4.340 0.005 0.000 0.286 222 L C -0.995 175.658 176.870 -0.362 0.000 1.024 222 L CA -0.459 54.111 54.840 -0.450 0.000 0.826 222 L CB 0.683 42.367 42.059 -0.625 0.000 1.211 222 L HN 0.408 nan 8.230 nan 0.000 0.422 223 V N 5.420 125.213 119.914 -0.202 0.000 2.459 223 V HA 0.470 4.592 4.120 0.005 0.000 0.295 223 V C -0.257 175.773 176.094 -0.107 0.000 1.029 223 V CA -0.477 61.752 62.300 -0.119 0.000 0.874 223 V CB 1.706 33.472 31.823 -0.095 0.000 0.985 223 V HN 0.743 nan 8.190 nan 0.000 0.438 224 Q N 3.158 122.927 119.800 -0.051 0.000 2.700 224 Q HA 0.460 4.803 4.340 0.005 0.000 0.249 224 Q C 0.905 176.896 176.000 -0.016 0.000 1.033 224 Q CA -0.263 55.511 55.803 -0.048 0.000 0.804 224 Q CB 1.556 30.301 28.738 0.011 0.000 1.164 224 Q HN 0.910 nan 8.270 nan 0.000 0.500 225 A N 2.019 124.821 122.820 -0.030 0.000 1.883 225 A HA -0.242 4.081 4.320 0.005 0.000 0.217 225 A C 1.639 179.239 177.584 0.028 0.000 1.186 225 A CA 1.688 53.721 52.037 -0.006 0.000 0.624 225 A CB -0.130 18.862 19.000 -0.014 0.000 0.822 225 A HN 0.498 nan 8.150 nan 0.000 0.444 226 N N -0.295 118.415 118.700 0.016 0.000 2.142 226 N HA -0.119 4.624 4.740 0.005 0.000 0.186 226 N C 1.580 177.129 175.510 0.065 0.000 1.023 226 N CA 1.420 54.490 53.050 0.033 0.000 0.852 226 N CB -0.608 37.888 38.487 0.014 0.000 0.998 226 N HN 0.406 nan 8.380 nan 0.000 0.424 227 L N 1.214 122.481 121.223 0.072 0.000 2.046 227 L HA -0.025 4.318 4.340 0.005 0.000 0.208 227 L C 2.035 179.003 176.870 0.163 0.000 1.077 227 L CA 1.548 56.458 54.840 0.117 0.000 0.747 227 L CB -1.032 41.103 42.059 0.127 0.000 0.896 227 L HN 0.137 nan 8.230 nan 0.000 0.432 228 A N -0.558 122.355 122.820 0.155 0.000 1.908 228 A HA -0.283 4.040 4.320 0.005 0.000 0.218 228 A C 2.360 180.160 177.584 0.361 0.000 1.181 228 A CA 2.066 54.257 52.037 0.256 0.000 0.627 228 A CB -0.636 18.415 19.000 0.086 0.000 0.818 228 A HN 0.448 nan 8.150 nan 0.000 0.445 229 K N 0.285 120.814 120.400 0.215 0.000 2.057 229 K HA -0.044 4.279 4.320 0.005 0.000 0.207 229 K C 2.210 178.878 176.600 0.113 0.000 1.049 229 K CA 1.939 58.321 56.287 0.157 0.000 0.931 229 K CB -0.553 32.004 32.500 0.095 0.000 0.714 229 K HN 0.357 nan 8.250 nan 0.000 0.440 230 S N 0.669 116.439 115.700 0.116 0.000 2.353 230 S HA -0.101 4.371 4.470 0.005 0.000 0.222 230 S C 1.828 176.504 174.600 0.127 0.000 1.035 230 S CA 1.534 59.797 58.200 0.106 0.000 1.025 230 S CB -0.407 62.863 63.200 0.116 0.000 0.902 230 S HN 0.266 nan 8.310 nan 0.000 0.440 231 L N 1.260 122.591 121.223 0.179 0.000 2.042 231 L HA -0.172 4.171 4.340 0.005 0.000 0.210 231 L C 2.711 179.586 176.870 0.008 0.000 1.076 231 L CA 1.526 56.467 54.840 0.169 0.000 0.749 231 L CB -0.504 41.725 42.059 0.283 0.000 0.893 231 L HN 0.416 nan 8.230 nan 0.000 0.432 232 E N -0.204 119.966 120.200 -0.050 0.000 2.153 232 E HA -0.236 4.117 4.350 0.005 0.000 0.194 232 E C 2.277 178.769 176.600 -0.181 0.000 0.988 232 E CA 1.032 57.224 56.400 -0.347 0.000 0.811 232 E CB 0.157 29.637 29.700 -0.366 0.000 0.746 232 E HN 0.349 nan 8.360 nan 0.000 0.466 233 M N 0.192 119.756 119.600 -0.060 0.000 2.236 233 M HA -0.028 4.455 4.480 0.005 0.000 0.266 233 M C 2.259 178.554 176.300 -0.009 0.000 1.070 233 M CA 0.885 56.168 55.300 -0.028 0.000 1.137 233 M CB -0.521 32.084 32.600 0.008 0.000 1.378 233 M HN 0.201 nan 8.290 nan 0.000 0.426 234 I N 0.330 120.910 120.570 0.017 0.000 2.179 234 I HA -0.235 3.938 4.170 0.005 0.000 0.242 234 I C 2.482 178.581 176.117 -0.029 0.000 1.088 234 I CA 1.235 62.561 61.300 0.043 0.000 1.357 234 I CB -0.582 37.482 38.000 0.107 0.000 1.051 234 I HN 0.193 nan 8.210 nan 0.000 0.409 235 A N -0.191 122.567 122.820 -0.103 0.000 2.076 235 A HA -0.253 4.070 4.320 0.005 0.000 0.220 235 A C 2.260 179.781 177.584 -0.105 0.000 1.160 235 A CA 2.018 53.968 52.037 -0.144 0.000 0.653 235 A CB -0.513 18.360 19.000 -0.213 0.000 0.801 235 A HN 0.569 nan 8.150 nan 0.000 0.455 236 E N -0.867 119.282 120.200 -0.085 0.000 2.132 236 E HA -0.009 4.344 4.350 0.005 0.000 0.193 236 E C 0.853 177.437 176.600 -0.026 0.000 0.951 236 E CA 0.414 56.777 56.400 -0.063 0.000 0.843 236 E CB 0.122 29.780 29.700 -0.071 0.000 0.807 236 E HN 0.521 nan 8.360 nan 0.000 0.467 237 N N 0.371 119.068 118.700 -0.006 0.000 2.230 237 N HA 0.144 4.886 4.740 0.005 0.000 0.202 237 N C 0.301 175.837 175.510 0.043 0.000 1.119 237 N CA 0.769 53.830 53.050 0.019 0.000 0.851 237 N CB 1.361 39.864 38.487 0.028 0.000 0.990 237 N HN 0.257 nan 8.380 nan 0.000 0.497 238 G N 2.216 111.040 108.800 0.039 0.000 2.796 238 G HA2 -0.215 3.748 3.960 0.005 0.000 0.226 238 G HA3 -0.215 3.748 3.960 0.005 0.000 0.226 238 G C -1.819 173.156 174.900 0.125 0.000 1.381 238 G CA -0.295 44.845 45.100 0.066 0.000 0.867 238 G HN 0.046 nan 8.290 nan 0.000 0.552 239 P HA -0.052 nan 4.420 nan 0.000 0.221 239 P C 0.871 178.393 177.300 0.370 0.000 1.145 239 P CA 1.777 65.039 63.100 0.270 0.000 0.795 239 P CB -0.002 31.851 31.700 0.254 0.000 0.775 240 D N 0.171 120.727 120.400 0.260 0.000 2.219 240 D HA -0.142 4.500 4.640 0.005 0.000 0.205 240 D C 1.926 178.357 176.300 0.217 0.000 0.970 240 D CA 0.879 55.036 54.000 0.261 0.000 0.851 240 D CB -0.368 40.528 40.800 0.160 0.000 0.943 240 D HN 0.219 nan 8.370 nan 0.000 0.488 241 E N 0.139 120.441 120.200 0.171 0.000 2.171 241 E HA -0.196 4.157 4.350 0.005 0.000 0.197 241 E C 1.746 178.410 176.600 0.106 0.000 0.997 241 E CA 0.886 57.355 56.400 0.114 0.000 0.810 241 E CB -0.442 29.316 29.700 0.097 0.000 0.738 241 E HN 0.365 nan 8.360 nan 0.000 0.467 242 F N -1.037 118.898 119.950 -0.025 0.000 2.147 242 F HA -0.038 4.492 4.527 0.005 0.000 0.291 242 F C 1.410 177.041 175.800 -0.282 0.000 1.093 242 F CA 1.096 58.971 58.000 -0.208 0.000 1.263 242 F CB -0.131 38.631 39.000 -0.396 0.000 1.036 242 F HN 0.020 nan 8.300 nan 0.000 0.481 243 Y N 0.079 120.608 120.300 0.383 0.000 2.544 243 Y HA 0.113 4.666 4.550 0.005 0.000 0.286 243 Y C 1.657 177.630 175.900 0.121 0.000 1.141 243 Y CA 0.678 58.938 58.100 0.266 0.000 1.299 243 Y CB -0.066 38.567 38.460 0.289 0.000 1.030 243 Y HN 0.037 nan 8.280 nan 0.000 0.543 244 K N -1.738 118.779 120.400 0.195 0.000 2.603 244 K HA 0.221 4.544 4.320 0.005 0.000 0.205 244 K C 1.399 178.033 176.600 0.057 0.000 1.500 244 K CA 0.389 56.747 56.287 0.119 0.000 1.059 244 K CB 0.378 32.956 32.500 0.129 0.000 1.416 244 K HN 0.144 nan 8.250 nan 0.000 0.562 245 G N 0.718 109.548 108.800 0.050 0.000 2.485 245 G HA2 -0.017 3.945 3.960 0.005 0.000 0.260 245 G HA3 -0.017 3.945 3.960 0.005 0.000 0.260 245 G C 0.896 175.784 174.900 -0.020 0.000 1.459 245 G CA 0.131 45.243 45.100 0.020 0.000 1.060 245 G HN -0.046 nan 8.290 nan 0.000 0.546 246 T N 0.316 114.858 114.554 -0.020 0.000 2.624 246 T HA -0.193 4.160 4.350 0.005 0.000 0.268 246 T C 2.440 177.092 174.700 -0.080 0.000 1.041 246 T CA 1.755 63.833 62.100 -0.036 0.000 1.159 246 T CB -0.364 68.492 68.868 -0.021 0.000 0.863 246 T HN 0.338 nan 8.240 nan 0.000 0.434 247 I N 1.357 121.857 120.570 -0.116 0.000 2.208 247 I HA -0.234 3.939 4.170 0.005 0.000 0.245 247 I C 2.898 178.817 176.117 -0.330 0.000 1.097 247 I CA 1.223 62.384 61.300 -0.232 0.000 1.363 247 I CB -0.540 37.272 38.000 -0.313 0.000 1.051 247 I HN 0.210 nan 8.210 nan 0.000 0.413 248 A N 0.601 123.248 122.820 -0.289 0.000 1.902 248 A HA -0.231 4.092 4.320 0.005 0.000 0.217 248 A C 2.211 179.709 177.584 -0.143 0.000 1.181 248 A CA 1.796 53.686 52.037 -0.244 0.000 0.623 248 A CB -0.582 18.355 19.000 -0.106 0.000 0.818 248 A HN 0.481 nan 8.150 nan 0.000 0.443 249 E N -0.383 119.760 120.200 -0.096 0.000 2.051 249 E HA -0.255 4.097 4.350 0.005 0.000 0.192 249 E C 2.293 178.854 176.600 -0.065 0.000 0.991 249 E CA 1.499 57.864 56.400 -0.059 0.000 0.799 249 E CB -0.266 29.411 29.700 -0.039 0.000 0.748 249 E HN 0.738 nan 8.360 nan 0.000 0.449 250 Q N 0.416 120.166 119.800 -0.084 0.000 2.096 250 Q HA -0.170 4.173 4.340 0.005 0.000 0.204 250 Q C 2.283 178.237 176.000 -0.077 0.000 0.982 250 Q CA 1.250 57.010 55.803 -0.072 0.000 0.850 250 Q CB -0.137 28.554 28.738 -0.078 0.000 0.901 250 Q HN 0.346 nan 8.270 nan 0.000 0.422 251 I N 0.296 120.788 120.570 -0.130 0.000 2.202 251 I HA -0.271 3.902 4.170 0.005 0.000 0.242 251 I C 2.416 178.501 176.117 -0.054 0.000 1.091 251 I CA 0.917 62.147 61.300 -0.116 0.000 1.368 251 I CB -0.432 37.441 38.000 -0.212 0.000 1.058 251 I HN 0.172 nan 8.210 nan 0.000 0.410 252 A N 0.357 123.145 122.820 -0.054 0.000 1.883 252 A HA -0.267 4.056 4.320 0.005 0.000 0.217 252 A C 2.273 179.850 177.584 -0.011 0.000 1.186 252 A CA 1.684 53.709 52.037 -0.021 0.000 0.624 252 A CB -0.692 18.297 19.000 -0.018 0.000 0.822 252 A HN 0.479 nan 8.150 nan 0.000 0.444 253 Q N -1.157 118.633 119.800 -0.017 0.000 2.084 253 Q HA -0.224 4.119 4.340 0.005 0.000 0.202 253 Q C 2.095 178.091 176.000 -0.007 0.000 0.978 253 Q CA 1.545 57.340 55.803 -0.013 0.000 0.844 253 Q CB -0.183 28.546 28.738 -0.015 0.000 0.898 253 Q HN 0.764 nan 8.270 nan 0.000 0.426 254 E N 0.584 120.790 120.200 0.009 0.000 2.085 254 E HA -0.189 4.164 4.350 0.005 0.000 0.194 254 E C 1.810 178.443 176.600 0.055 0.000 0.994 254 E CA 1.327 57.756 56.400 0.049 0.000 0.801 254 E CB 0.047 29.793 29.700 0.077 0.000 0.743 254 E HN 0.188 nan 8.360 nan 0.000 0.453 255 M N 0.090 119.727 119.600 0.061 0.000 2.123 255 M HA -0.088 4.395 4.480 0.005 0.000 0.263 255 M C 2.269 178.553 176.300 -0.027 0.000 1.069 255 M CA 1.378 56.713 55.300 0.059 0.000 1.133 255 M CB -1.172 31.467 32.600 0.065 0.000 1.356 255 M HN 0.244 nan 8.290 nan 0.000 0.415 256 Q N 1.593 121.381 119.800 -0.020 0.000 2.030 256 Q HA -0.185 4.158 4.340 0.005 0.000 0.204 256 Q C 1.624 177.590 176.000 -0.056 0.000 0.986 256 Q CA 1.798 57.583 55.803 -0.030 0.000 0.843 256 Q CB -0.247 28.480 28.738 -0.018 0.000 0.904 256 Q HN 0.502 nan 8.270 nan 0.000 0.420 257 K N -0.074 120.286 120.400 -0.066 0.000 2.515 257 K HA -0.013 4.310 4.320 0.005 0.000 0.196 257 K C 1.048 177.566 176.600 -0.137 0.000 1.038 257 K CA 0.693 56.933 56.287 -0.078 0.000 0.967 257 K CB 0.162 32.628 32.500 -0.057 0.000 0.780 257 K HN 0.214 nan 8.250 nan 0.000 0.483 258 N N -0.659 117.900 118.700 -0.236 0.000 2.160 258 N HA 0.052 4.795 4.740 0.005 0.000 0.226 258 N C 0.375 175.723 175.510 -0.271 0.000 1.256 258 N CA 0.642 53.461 53.050 -0.385 0.000 0.890 258 N CB 1.899 39.768 38.487 -1.030 0.000 1.116 258 N HN 0.288 nan 8.380 nan 0.000 0.517 259 G N 0.593 109.310 108.800 -0.139 0.000 2.141 259 G HA2 -0.202 3.761 3.960 0.005 0.000 0.231 259 G HA3 -0.202 3.761 3.960 0.005 0.000 0.231 259 G C 0.477 175.378 174.900 0.002 0.000 0.984 259 G CA -0.086 44.983 45.100 -0.052 0.000 0.660 259 G HN 0.503 nan 8.290 nan 0.000 0.525 260 G N -1.091 107.717 108.800 0.013 0.000 2.621 260 G HA2 0.593 4.556 3.960 0.005 0.000 0.271 260 G HA3 0.593 4.556 3.960 0.005 0.000 0.271 260 G C 0.998 175.927 174.900 0.048 0.000 1.236 260 G CA -0.177 44.977 45.100 0.090 0.000 0.958 260 G HN 0.607 nan 8.290 nan 0.000 0.512 261 L N -0.366 120.890 121.223 0.055 0.000 2.749 261 L HA 0.286 4.629 4.340 0.005 0.000 0.242 261 L C 0.326 177.222 176.870 0.043 0.000 1.103 261 L CA -0.347 54.515 54.840 0.036 0.000 0.906 261 L CB 0.102 42.177 42.059 0.026 0.000 1.228 261 L HN 0.254 nan 8.230 nan 0.000 0.517 262 I N 2.713 123.315 120.570 0.053 0.000 2.671 262 I HA -0.004 4.168 4.170 0.005 0.000 0.285 262 I C 0.915 177.057 176.117 0.041 0.000 1.148 262 I CA 0.909 62.241 61.300 0.053 0.000 1.386 262 I CB -0.174 37.854 38.000 0.048 0.000 1.406 262 I HN 0.215 nan 8.210 nan 0.000 0.540 263 T N 3.274 117.856 114.554 0.048 0.000 2.937 263 T HA 0.397 4.750 4.350 0.005 0.000 0.283 263 T C 1.028 175.757 174.700 0.048 0.000 1.012 263 T CA -0.888 61.235 62.100 0.039 0.000 0.997 263 T CB 1.992 70.883 68.868 0.039 0.000 1.136 263 T HN 0.496 nan 8.240 nan 0.000 0.551 264 K N 0.169 120.592 120.400 0.039 0.000 2.283 264 K HA -0.072 4.251 4.320 0.005 0.000 0.202 264 K C 2.068 178.715 176.600 0.078 0.000 1.048 264 K CA 1.219 57.535 56.287 0.049 0.000 0.948 264 K CB -0.007 32.514 32.500 0.034 0.000 0.742 264 K HN 0.674 nan 8.250 nan 0.000 0.458 265 E N 0.957 121.199 120.200 0.071 0.000 2.072 265 E HA -0.157 4.196 4.350 0.005 0.000 0.191 265 E C 1.448 178.113 176.600 0.109 0.000 0.985 265 E CA 0.942 57.389 56.400 0.079 0.000 0.801 265 E CB 0.027 29.764 29.700 0.061 0.000 0.750 265 E HN 0.258 nan 8.360 nan 0.000 0.452 266 D N 1.141 121.610 120.400 0.115 0.000 2.092 266 D HA -0.158 4.485 4.640 0.005 0.000 0.193 266 D C 2.126 178.564 176.300 0.229 0.000 0.994 266 D CA 0.936 55.028 54.000 0.153 0.000 0.828 266 D CB -0.360 40.521 40.800 0.134 0.000 0.963 266 D HN 0.126 nan 8.370 nan 0.000 0.450 267 L N 0.506 121.868 121.223 0.233 0.000 2.127 267 L HA -0.150 4.192 4.340 0.005 0.000 0.211 267 L C 2.427 179.547 176.870 0.417 0.000 1.089 267 L CA 1.140 56.205 54.840 0.375 0.000 0.757 267 L CB -0.349 41.854 42.059 0.239 0.000 0.899 267 L HN -0.009 nan 8.230 nan 0.000 0.434 268 A N -0.341 122.629 122.820 0.250 0.000 1.970 268 A HA 0.084 4.407 4.320 0.005 0.000 0.216 268 A C 2.226 179.891 177.584 0.135 0.000 1.170 268 A CA 1.179 53.330 52.037 0.189 0.000 0.645 268 A CB -0.384 18.693 19.000 0.128 0.000 0.816 268 A HN 0.345 nan 8.150 nan 0.000 0.447 269 A N -1.903 121.001 122.820 0.140 0.000 2.337 269 A HA 0.385 4.708 4.320 0.005 0.000 0.227 269 A C 0.417 178.045 177.584 0.074 0.000 1.259 269 A CA -0.285 51.805 52.037 0.088 0.000 0.870 269 A CB -0.529 18.523 19.000 0.087 0.000 0.927 269 A HN 0.504 nan 8.150 nan 0.000 0.497 270 Y N 1.732 122.045 120.300 0.023 0.000 2.301 270 Y HA 0.489 5.042 4.550 0.005 0.000 0.325 270 Y C 0.146 175.960 175.900 -0.143 0.000 1.203 270 Y CA -0.512 57.577 58.100 -0.019 0.000 1.255 270 Y CB 0.763 39.252 38.460 0.048 0.000 1.232 270 Y HN 0.320 nan 8.280 nan 0.000 0.501 271 K N 3.757 123.411 120.400 -1.243 0.000 2.557 271 K HA 0.802 5.125 4.320 0.005 0.000 0.257 271 K C -1.884 174.311 176.600 -0.674 0.000 0.933 271 K CA -0.995 54.876 56.287 -0.692 0.000 0.820 271 K CB 1.333 33.630 32.500 -0.337 0.000 1.330 271 K HN 0.678 nan 8.250 nan 0.000 0.432 272 A N 1.907 124.604 122.820 -0.205 0.000 2.351 272 A HA 0.570 4.893 4.320 0.005 0.000 0.257 272 A C -0.464 177.117 177.584 -0.005 0.000 1.087 272 A CA -0.602 51.452 52.037 0.028 0.000 0.798 272 A CB 0.733 19.832 19.000 0.165 0.000 1.033 272 A HN 0.441 nan 8.150 nan 0.000 0.488 273 V N 2.099 122.049 119.914 0.060 0.000 2.482 273 V HA 0.262 4.385 4.120 0.005 0.000 0.295 273 V C -0.021 176.122 176.094 0.082 0.000 1.026 273 V CA -0.546 61.780 62.300 0.044 0.000 0.856 273 V CB 1.333 33.168 31.823 0.019 0.000 1.001 273 V HN 1.038 nan 8.190 nan 0.000 0.424 274 E N 5.616 125.862 120.200 0.077 0.000 2.257 274 E HA 0.424 4.777 4.350 0.005 0.000 0.278 274 E C -0.264 176.364 176.600 0.046 0.000 1.049 274 E CA -0.259 56.197 56.400 0.092 0.000 0.876 274 E CB 0.645 30.414 29.700 0.116 0.000 1.035 274 E HN 0.599 nan 8.360 nan 0.000 0.419 275 R N 2.465 122.979 120.500 0.024 0.000 2.888 275 R HA 0.354 4.697 4.340 0.005 0.000 0.266 275 R C -0.754 175.514 176.300 -0.052 0.000 1.020 275 R CA -0.968 55.116 56.100 -0.027 0.000 0.963 275 R CB 1.808 32.074 30.300 -0.057 0.000 1.197 275 R HN 0.409 nan 8.270 nan 0.000 0.481 276 T N 3.890 118.389 114.554 -0.092 0.000 2.799 276 T HA 0.139 4.492 4.350 0.005 0.000 0.296 276 T C -2.225 172.387 174.700 -0.148 0.000 0.947 276 T CA -0.910 61.124 62.100 -0.109 0.000 1.141 276 T CB 0.557 69.337 68.868 -0.147 0.000 0.891 276 T HN 0.222 nan 8.240 nan 0.000 0.533 277 P HA 0.147 nan 4.420 nan 0.000 0.268 277 P C -0.246 176.988 177.300 -0.109 0.000 1.208 277 P CA -0.472 62.593 63.100 -0.058 0.000 0.777 277 P CB 0.426 32.170 31.700 0.074 0.000 0.875 278 I N 1.675 122.160 120.570 -0.143 0.000 2.440 278 I HA 0.311 4.484 4.170 0.005 0.000 0.294 278 I C 0.779 176.822 176.117 -0.123 0.000 0.995 278 I CA 0.336 61.527 61.300 -0.181 0.000 1.306 278 I CB 0.759 38.648 38.000 -0.185 0.000 1.407 278 I HN 0.472 nan 8.210 nan 0.000 0.501 279 S N 3.615 119.224 115.700 -0.151 0.000 2.596 279 S HA 0.951 5.423 4.470 0.005 0.000 0.270 279 S C -0.554 173.929 174.600 -0.195 0.000 1.155 279 S CA -0.599 57.424 58.200 -0.295 0.000 0.827 279 S CB 2.304 65.088 63.200 -0.694 0.000 1.130 279 S HN 0.895 nan 8.310 nan 0.000 0.467 280 G N -0.254 108.412 108.800 -0.222 0.000 2.827 280 G HA2 0.631 4.594 3.960 0.005 0.000 0.296 280 G HA3 0.631 4.594 3.960 0.005 0.000 0.296 280 G C -2.260 172.595 174.900 -0.076 0.000 1.362 280 G CA -0.475 44.568 45.100 -0.095 0.000 0.809 280 G HN 0.766 nan 8.290 nan 0.000 0.522 281 D N -0.981 119.428 120.400 0.015 0.000 2.696 281 D HA 0.419 5.062 4.640 0.005 0.000 0.251 281 D C -1.930 174.467 176.300 0.162 0.000 1.188 281 D CA -0.435 53.605 54.000 0.066 0.000 0.876 281 D CB 2.207 43.028 40.800 0.035 0.000 1.334 281 D HN 0.226 nan 8.370 nan 0.000 0.540 282 Y N 4.527 124.864 120.300 0.062 0.000 2.376 282 Y HA 0.300 4.852 4.550 0.004 0.000 0.326 282 Y C 0.417 176.409 175.900 0.152 0.000 0.970 282 Y CA -0.596 57.547 58.100 0.073 0.000 1.248 282 Y CB 0.516 38.999 38.460 0.039 0.000 1.117 282 Y HN 0.554 nan 8.280 nan 0.000 0.476 283 R N 3.943 124.308 120.500 -0.225 0.000 3.641 283 R HA -0.246 4.097 4.340 0.005 0.000 0.286 283 R C 1.010 177.341 176.300 0.052 0.000 1.153 283 R CA 1.073 57.075 56.100 -0.163 0.000 0.775 283 R CB -1.852 28.246 30.300 -0.336 0.000 1.215 283 R HN 1.333 nan 8.270 nan 0.000 0.474 284 G N -1.834 106.994 108.800 0.047 0.000 2.213 284 G HA2 -0.349 3.614 3.960 0.005 0.000 0.236 284 G HA3 -0.349 3.614 3.960 0.005 0.000 0.236 284 G C -0.080 174.790 174.900 -0.050 0.000 0.991 284 G CA 0.230 45.317 45.100 -0.022 0.000 0.629 284 G HN 0.361 nan 8.290 nan 0.000 0.517 285 Y N 0.940 121.261 120.300 0.035 0.000 2.323 285 Y HA 0.649 5.202 4.550 0.006 0.000 0.331 285 Y C 0.583 176.523 175.900 0.067 0.000 1.092 285 Y CA -0.759 57.383 58.100 0.070 0.000 1.150 285 Y CB 1.406 39.932 38.460 0.111 0.000 1.200 285 Y HN 0.103 nan 8.280 nan 0.000 0.472 286 Q N 1.827 121.745 119.800 0.197 0.000 2.241 286 Q HA 0.555 4.897 4.340 0.005 0.000 0.254 286 Q C -1.141 174.895 176.000 0.059 0.000 0.917 286 Q CA -0.597 55.248 55.803 0.068 0.000 0.919 286 Q CB 1.754 30.530 28.738 0.063 0.000 1.237 286 Q HN 0.423 nan 8.270 nan 0.000 0.434 287 V N 3.323 123.170 119.914 -0.111 0.000 2.495 287 V HA 0.468 4.591 4.120 0.005 0.000 0.298 287 V C -1.149 174.781 176.094 -0.274 0.000 1.031 287 V CA -0.805 61.456 62.300 -0.066 0.000 0.871 287 V CB 0.771 32.573 31.823 -0.036 0.000 0.988 287 V HN 0.653 nan 8.190 nan 0.000 0.432 288 Y N 2.341 122.643 120.300 0.004 0.000 2.376 288 Y HA 0.722 5.273 4.550 0.002 0.000 0.340 288 Y C 0.455 176.331 175.900 -0.040 0.000 0.965 288 Y CA -0.117 57.969 58.100 -0.023 0.000 1.078 288 Y CB 2.394 40.840 38.460 -0.023 0.000 1.193 288 Y HN 0.659 nan 8.280 nan 0.000 0.452 289 S N 1.788 117.521 115.700 0.054 0.000 2.903 289 S HA 0.601 5.073 4.470 0.005 0.000 0.314 289 S C -1.186 173.369 174.600 -0.076 0.000 1.177 289 S CA -0.800 57.394 58.200 -0.010 0.000 0.859 289 S CB 0.890 64.065 63.200 -0.042 0.000 1.265 289 S HN 0.484 nan 8.310 nan 0.000 0.584 290 M N 3.344 122.856 119.600 -0.147 0.000 2.185 290 M HA 0.385 4.868 4.480 0.005 0.000 0.357 290 M C -2.222 173.893 176.300 -0.310 0.000 1.260 290 M CA -2.271 52.858 55.300 -0.286 0.000 1.124 290 M CB 0.585 32.884 32.600 -0.502 0.000 1.600 290 M HN 0.463 nan 8.290 nan 0.000 0.467 291 P HA 0.469 nan 4.420 nan 0.000 0.287 291 P C -2.834 174.283 177.300 -0.304 0.000 1.296 291 P CA -1.852 61.071 63.100 -0.295 0.000 0.811 291 P CB -0.220 31.300 31.700 -0.300 0.000 1.211 292 P HA 0.044 nan 4.420 nan 0.000 0.268 292 P C -1.452 175.778 177.300 -0.117 0.000 1.208 292 P CA -0.669 62.355 63.100 -0.127 0.000 0.777 292 P CB -0.742 30.932 31.700 -0.043 0.000 0.875 293 P HA -0.128 nan 4.420 nan 0.000 0.226 293 P C 0.394 177.714 177.300 0.034 0.000 1.146 293 P CA 1.181 64.317 63.100 0.060 0.000 0.773 293 P CB 0.207 32.015 31.700 0.181 0.000 0.772 294 S N 0.112 115.682 115.700 -0.218 0.000 2.586 294 S HA 0.280 4.753 4.470 0.005 0.000 0.274 294 S C 1.282 175.806 174.600 -0.126 0.000 1.281 294 S CA -0.153 57.917 58.200 -0.217 0.000 1.035 294 S CB 0.605 63.379 63.200 -0.710 0.000 0.962 294 S HN 0.135 nan 8.310 nan 0.000 0.512 295 S N 3.022 118.710 115.700 -0.019 0.000 2.540 295 S HA 0.226 4.699 4.470 0.005 0.000 0.218 295 S C 1.729 176.327 174.600 -0.003 0.000 0.977 295 S CA 0.194 58.407 58.200 0.022 0.000 0.918 295 S CB -0.297 63.005 63.200 0.170 0.000 0.806 295 S HN 0.852 nan 8.310 nan 0.000 0.496 296 G N 2.535 111.312 108.800 -0.040 0.000 2.587 296 G HA2 -0.016 3.947 3.960 0.005 0.000 0.217 296 G HA3 -0.016 3.947 3.960 0.005 0.000 0.217 296 G C 1.431 176.286 174.900 -0.075 0.000 1.240 296 G CA 0.777 45.855 45.100 -0.037 0.000 0.794 296 G HN 0.620 nan 8.290 nan 0.000 0.580 297 G N 1.170 109.894 108.800 -0.127 0.000 2.586 297 G HA2 -0.282 3.681 3.960 0.005 0.000 0.218 297 G HA3 -0.282 3.681 3.960 0.005 0.000 0.218 297 G C 1.710 176.531 174.900 -0.131 0.000 1.216 297 G CA 1.256 46.281 45.100 -0.125 0.000 0.786 297 G HN 0.310 nan 8.290 nan 0.000 0.583 298 I N 1.020 121.476 120.570 -0.190 0.000 2.113 298 I HA -0.200 3.972 4.170 0.005 0.000 0.242 298 I C 2.453 178.408 176.117 -0.271 0.000 1.064 298 I CA 1.562 62.715 61.300 -0.246 0.000 1.320 298 I CB -1.414 36.360 38.000 -0.377 0.000 1.028 298 I HN 0.279 nan 8.210 nan 0.000 0.406 299 H N -0.163 118.876 119.070 -0.052 0.000 2.470 299 H HA 0.055 4.615 4.556 0.005 0.000 0.289 299 H C 2.302 177.577 175.328 -0.089 0.000 1.033 299 H CA 0.678 56.675 56.048 -0.085 0.000 1.331 299 H CB 0.223 29.877 29.762 -0.180 0.000 1.414 299 H HN 0.216 nan 8.280 nan 0.000 0.545 300 I N 0.393 120.962 120.570 -0.002 0.000 2.252 300 I HA -0.179 3.994 4.170 0.005 0.000 0.245 300 I C 2.515 178.600 176.117 -0.054 0.000 1.102 300 I CA 0.686 61.966 61.300 -0.033 0.000 1.385 300 I CB -0.901 37.071 38.000 -0.046 0.000 1.064 300 I HN 0.017 nan 8.210 nan 0.000 0.414 301 V N 0.800 120.682 119.914 -0.053 0.000 2.358 301 V HA -0.297 3.825 4.120 0.005 0.000 0.246 301 V C 2.622 178.703 176.094 -0.021 0.000 1.047 301 V CA 1.935 64.207 62.300 -0.047 0.000 1.035 301 V CB -0.801 30.996 31.823 -0.043 0.000 0.658 301 V HN 0.489 nan 8.190 nan 0.000 0.452 302 Q N -0.084 119.715 119.800 -0.001 0.000 2.045 302 Q HA -0.238 4.105 4.340 0.005 0.000 0.206 302 Q C 2.257 178.260 176.000 0.005 0.000 0.991 302 Q CA 2.393 58.211 55.803 0.024 0.000 0.851 302 Q CB -0.156 28.641 28.738 0.099 0.000 0.911 302 Q HN 0.503 nan 8.270 nan 0.000 0.418 303 I N 0.846 121.422 120.570 0.010 0.000 2.226 303 I HA -0.267 3.906 4.170 0.005 0.000 0.245 303 I C 2.461 178.566 176.117 -0.021 0.000 1.100 303 I CA 1.158 62.460 61.300 0.003 0.000 1.374 303 I CB -1.244 36.755 38.000 -0.002 0.000 1.057 303 I HN 0.366 nan 8.210 nan 0.000 0.413 304 L N 0.589 121.760 121.223 -0.085 0.000 2.046 304 L HA -0.238 4.105 4.340 0.005 0.000 0.208 304 L C 2.390 179.297 176.870 0.061 0.000 1.077 304 L CA 1.249 55.981 54.840 -0.181 0.000 0.747 304 L CB -0.681 41.180 42.059 -0.331 0.000 0.896 304 L HN 0.286 nan 8.230 nan 0.000 0.432 305 N N 0.094 118.828 118.700 0.057 0.000 2.104 305 N HA -0.181 4.562 4.740 0.005 0.000 0.190 305 N C 1.707 177.254 175.510 0.060 0.000 1.024 305 N CA 1.357 54.451 53.050 0.073 0.000 0.853 305 N CB -0.274 38.219 38.487 0.011 0.000 1.008 305 N HN 0.152 nan 8.380 nan 0.000 0.424 306 I N 1.479 122.070 120.570 0.035 0.000 2.142 306 I HA -0.192 3.980 4.170 0.005 0.000 0.240 306 I C 2.280 178.518 176.117 0.203 0.000 1.078 306 I CA 0.784 62.116 61.300 0.054 0.000 1.343 306 I CB -1.162 36.867 38.000 0.048 0.000 1.046 306 I HN 0.090 nan 8.210 nan 0.000 0.405 307 L N -0.069 121.307 121.223 0.254 0.000 2.127 307 L HA -0.219 4.123 4.340 0.005 0.000 0.211 307 L C 2.428 179.565 176.870 0.446 0.000 1.089 307 L CA 1.386 56.470 54.840 0.407 0.000 0.757 307 L CB -0.811 41.401 42.059 0.256 0.000 0.899 307 L HN 0.364 nan 8.230 nan 0.000 0.434 308 E N 0.790 121.222 120.200 0.388 0.000 2.219 308 E HA -0.232 4.120 4.350 0.005 0.000 0.198 308 E C 1.449 178.074 176.600 0.042 0.000 0.998 308 E CA 1.011 57.540 56.400 0.215 0.000 0.818 308 E CB 0.064 29.851 29.700 0.146 0.000 0.741 308 E HN 0.503 nan 8.360 nan 0.000 0.477 309 N N -0.228 118.442 118.700 -0.051 0.000 2.575 309 N HA -0.022 4.721 4.740 0.005 0.000 0.192 309 N C -0.804 174.380 175.510 -0.543 0.000 1.200 309 N CA 0.635 53.487 53.050 -0.329 0.000 0.897 309 N CB 0.160 38.346 38.487 -0.502 0.000 0.990 309 N HN 0.044 nan 8.380 nan 0.000 0.449 310 F N -0.422 119.573 119.950 0.074 0.000 2.577 310 F HA 0.204 4.734 4.527 0.005 0.000 0.318 310 F C 0.660 176.490 175.800 0.051 0.000 1.065 310 F CA -1.371 56.693 58.000 0.106 0.000 0.929 310 F CB 1.188 40.310 39.000 0.203 0.000 1.237 310 F HN -0.271 nan 8.300 nan 0.000 0.468 311 D N 2.504 123.004 120.400 0.167 0.000 2.845 311 D HA 0.095 4.738 4.640 0.005 0.000 0.235 311 D C 1.389 177.613 176.300 -0.127 0.000 1.158 311 D CA 0.135 54.107 54.000 -0.047 0.000 0.990 311 D CB 0.163 40.861 40.800 -0.170 0.000 1.094 311 D HN 0.322 nan 8.370 nan 0.000 0.486 312 M N 0.564 120.237 119.600 0.121 0.000 2.116 312 M HA -0.240 4.243 4.480 0.005 0.000 0.255 312 M C 1.949 178.302 176.300 0.089 0.000 1.075 312 M CA 1.418 56.842 55.300 0.207 0.000 1.087 312 M CB -0.846 31.900 32.600 0.244 0.000 1.340 312 M HN 0.282 nan 8.290 nan 0.000 0.402 313 K N 0.486 120.906 120.400 0.033 0.000 2.103 313 K HA -0.219 4.104 4.320 0.005 0.000 0.207 313 K C 2.125 178.708 176.600 -0.029 0.000 1.048 313 K CA 1.690 57.990 56.287 0.022 0.000 0.930 313 K CB -0.105 32.400 32.500 0.010 0.000 0.716 313 K HN 0.266 nan 8.250 nan 0.000 0.444 314 K N -0.369 119.939 120.400 -0.153 0.000 2.057 314 K HA -0.195 4.128 4.320 0.005 0.000 0.207 314 K C 1.877 178.388 176.600 -0.148 0.000 1.049 314 K CA 1.660 57.820 56.287 -0.211 0.000 0.931 314 K CB -0.171 32.101 32.500 -0.380 0.000 0.714 314 K HN 0.167 nan 8.250 nan 0.000 0.440 315 Y N 0.068 120.387 120.300 0.033 0.000 2.242 315 Y HA 0.084 4.637 4.550 0.005 0.000 0.291 315 Y C 1.407 177.317 175.900 0.018 0.000 1.137 315 Y CA 0.930 59.038 58.100 0.013 0.000 1.181 315 Y CB -0.717 37.736 38.460 -0.012 0.000 0.989 315 Y HN 0.350 nan 8.280 nan 0.000 0.527 316 G N -0.171 108.734 108.800 0.174 0.000 2.733 316 G HA2 -0.266 3.697 3.960 0.005 0.000 0.686 316 G HA3 -0.266 3.697 3.960 0.005 0.000 0.686 316 G C -0.563 174.427 174.900 0.149 0.000 1.373 316 G CA -0.592 44.598 45.100 0.150 0.000 0.838 316 G HN 0.271 nan 8.290 nan 0.000 0.588 317 F N 1.742 121.725 119.950 0.054 0.000 2.553 317 F HA 0.422 4.951 4.527 0.004 0.000 0.356 317 F C 1.772 177.589 175.800 0.030 0.000 1.142 317 F CA 1.896 59.918 58.000 0.037 0.000 1.322 317 F CB 0.909 39.925 39.000 0.026 0.000 1.126 317 F HN 2.195 nan 8.300 nan 0.000 0.599 318 G N 2.593 110.934 108.800 -0.766 0.000 2.220 318 G HA2 -0.329 3.634 3.960 0.005 0.000 0.269 318 G HA3 -0.329 3.634 3.960 0.005 0.000 0.269 318 G C 0.340 175.142 174.900 -0.163 0.000 0.977 318 G CA 0.520 45.406 45.100 -0.357 0.000 0.634 318 G HN 1.251 nan 8.290 nan 0.000 0.539 319 S N -0.002 115.626 115.700 -0.120 0.000 2.584 319 S HA 0.674 5.147 4.470 0.005 0.000 0.270 319 S C 1.751 176.279 174.600 -0.120 0.000 1.346 319 S CA 0.503 58.665 58.200 -0.063 0.000 1.018 319 S CB 1.680 64.886 63.200 0.009 0.000 0.899 319 S HN 1.694 nan 8.310 nan 0.000 0.542 320 A N 1.752 124.512 122.820 -0.100 0.000 1.902 320 A HA -0.078 4.244 4.320 0.005 0.000 0.217 320 A C 1.840 179.307 177.584 -0.195 0.000 1.181 320 A CA 1.614 53.575 52.037 -0.126 0.000 0.623 320 A CB -0.985 17.960 19.000 -0.092 0.000 0.818 320 A HN 0.906 nan 8.150 nan 0.000 0.443 321 D N 0.305 120.552 120.400 -0.255 0.000 2.084 321 D HA -0.078 4.564 4.640 0.005 0.000 0.194 321 D C 2.319 178.304 176.300 -0.524 0.000 0.990 321 D CA 1.621 55.330 54.000 -0.487 0.000 0.826 321 D CB -0.704 39.594 40.800 -0.836 0.000 0.971 321 D HN 0.397 nan 8.370 nan 0.000 0.453 322 A N 1.313 123.902 122.820 -0.384 0.000 1.892 322 A HA -0.237 4.085 4.320 0.005 0.000 0.218 322 A C 2.333 179.774 177.584 -0.238 0.000 1.188 322 A CA 2.076 53.972 52.037 -0.236 0.000 0.631 322 A CB -0.748 18.195 19.000 -0.095 0.000 0.822 322 A HN 0.194 nan 8.150 nan 0.000 0.447 323 M N -1.500 117.961 119.600 -0.233 0.000 2.159 323 M HA -0.187 4.295 4.480 0.005 0.000 0.263 323 M C 2.395 178.581 176.300 -0.190 0.000 1.063 323 M CA 1.905 57.084 55.300 -0.201 0.000 1.110 323 M CB -0.379 32.107 32.600 -0.190 0.000 1.374 323 M HN 0.598 nan 8.290 nan 0.000 0.411 324 Q N 1.582 121.248 119.800 -0.223 0.000 1.975 324 Q HA -0.165 4.178 4.340 0.005 0.000 0.205 324 Q C 1.805 177.668 176.000 -0.228 0.000 0.990 324 Q CA 1.968 57.643 55.803 -0.212 0.000 0.845 324 Q CB -0.363 28.230 28.738 -0.243 0.000 0.913 324 Q HN 0.376 nan 8.270 nan 0.000 0.420 325 I N 0.225 120.591 120.570 -0.339 0.000 2.118 325 I HA -0.324 3.849 4.170 0.005 0.000 0.241 325 I C 2.467 178.441 176.117 -0.238 0.000 1.070 325 I CA 1.807 62.856 61.300 -0.419 0.000 1.327 325 I CB -1.249 36.315 38.000 -0.726 0.000 1.034 325 I HN 0.431 nan 8.210 nan 0.000 0.405 326 M N 0.177 119.667 119.600 -0.182 0.000 2.117 326 M HA -0.164 4.319 4.480 0.005 0.000 0.262 326 M C 2.492 178.758 176.300 -0.056 0.000 1.065 326 M CA 1.960 57.205 55.300 -0.091 0.000 1.114 326 M CB -0.468 32.082 32.600 -0.083 0.000 1.361 326 M HN 0.275 nan 8.290 nan 0.000 0.408 327 A N 0.263 123.034 122.820 -0.081 0.000 1.908 327 A HA -0.176 4.147 4.320 0.005 0.000 0.218 327 A C 2.043 179.602 177.584 -0.042 0.000 1.181 327 A CA 1.629 53.628 52.037 -0.063 0.000 0.627 327 A CB -0.549 18.399 19.000 -0.086 0.000 0.818 327 A HN 0.414 nan 8.150 nan 0.000 0.445 328 E N -0.185 119.991 120.200 -0.040 0.000 2.047 328 E HA -0.101 4.251 4.350 0.005 0.000 0.191 328 E C 2.451 179.116 176.600 0.109 0.000 0.987 328 E CA 1.169 57.570 56.400 0.001 0.000 0.799 328 E CB -0.742 28.975 29.700 0.028 0.000 0.752 328 E HN 0.550 nan 8.360 nan 0.000 0.449 329 A N 1.707 124.609 122.820 0.138 0.000 1.892 329 A HA -0.282 4.041 4.320 0.005 0.000 0.218 329 A C 2.071 179.775 177.584 0.201 0.000 1.188 329 A CA 2.082 54.247 52.037 0.213 0.000 0.631 329 A CB -0.712 18.358 19.000 0.116 0.000 0.822 329 A HN 0.263 nan 8.150 nan 0.000 0.447 330 E N -0.229 120.042 120.200 0.119 0.000 2.130 330 E HA -0.235 4.117 4.350 0.005 0.000 0.196 330 E C 2.048 178.758 176.600 0.183 0.000 0.998 330 E CA 1.591 58.082 56.400 0.151 0.000 0.806 330 E CB -0.178 29.621 29.700 0.165 0.000 0.738 330 E HN 0.641 nan 8.360 nan 0.000 0.459 331 K N 0.050 120.482 120.400 0.053 0.000 2.020 331 K HA -0.221 4.102 4.320 0.005 0.000 0.212 331 K C 2.070 178.627 176.600 -0.072 0.000 1.050 331 K CA 1.867 58.110 56.287 -0.074 0.000 0.929 331 K CB -0.403 31.918 32.500 -0.298 0.000 0.714 331 K HN 0.194 nan 8.250 nan 0.000 0.443 332 Y N 0.762 121.089 120.300 0.046 0.000 2.165 332 Y HA -0.258 4.295 4.550 0.005 0.000 0.286 332 Y C 2.554 178.478 175.900 0.039 0.000 1.155 332 Y CA 1.215 59.343 58.100 0.045 0.000 1.164 332 Y CB -0.734 37.732 38.460 0.010 0.000 0.978 332 Y HN 0.136 nan 8.280 nan 0.000 0.513 333 A N -0.386 122.520 122.820 0.142 0.000 1.865 333 A HA -0.243 4.080 4.320 0.005 0.000 0.217 333 A C 1.931 179.279 177.584 -0.394 0.000 1.191 333 A CA 1.874 53.859 52.037 -0.087 0.000 0.623 333 A CB -1.413 17.488 19.000 -0.164 0.000 0.826 333 A HN 0.521 nan 8.150 nan 0.000 0.444 334 Y N 0.017 120.196 120.300 -0.202 0.000 2.274 334 Y HA -0.090 4.464 4.550 0.005 0.000 0.290 334 Y C 2.858 178.680 175.900 -0.130 0.000 1.145 334 Y CA 0.806 58.782 58.100 -0.205 0.000 1.203 334 Y CB -0.488 37.893 38.460 -0.132 0.000 0.984 334 Y HN 0.357 nan 8.280 nan 0.000 0.533 335 A N 0.254 123.110 122.820 0.059 0.000 1.858 335 A HA -0.204 4.119 4.320 0.005 0.000 0.216 335 A C 1.955 179.565 177.584 0.043 0.000 1.190 335 A CA 2.085 54.152 52.037 0.050 0.000 0.617 335 A CB -0.765 18.281 19.000 0.078 0.000 0.827 335 A HN 0.345 nan 8.150 nan 0.000 0.443 336 D N -0.855 119.617 120.400 0.120 0.000 2.178 336 D HA -0.155 4.488 4.640 0.005 0.000 0.201 336 D C 2.010 178.420 176.300 0.182 0.000 0.980 336 D CA 1.239 55.393 54.000 0.255 0.000 0.842 336 D CB -0.390 40.726 40.800 0.527 0.000 0.948 336 D HN 0.538 nan 8.370 nan 0.000 0.472 337 R N 0.989 121.487 120.500 -0.003 0.000 2.094 337 R HA -0.171 4.172 4.340 0.005 0.000 0.239 337 R C 2.240 178.578 176.300 0.063 0.000 1.137 337 R CA 2.073 58.206 56.100 0.054 0.000 0.943 337 R CB -0.198 29.971 30.300 -0.218 0.000 0.850 337 R HN 0.215 nan 8.270 nan 0.000 0.433 338 S N -0.638 115.065 115.700 0.006 0.000 2.465 338 S HA -0.173 4.300 4.470 0.005 0.000 0.241 338 S C 1.682 176.242 174.600 -0.066 0.000 1.000 338 S CA 1.533 59.727 58.200 -0.011 0.000 0.964 338 S CB 0.011 63.202 63.200 -0.015 0.000 0.763 338 S HN 0.519 nan 8.310 nan 0.000 0.512 339 E N 0.332 120.433 120.200 -0.166 0.000 2.207 339 E HA 0.165 4.518 4.350 0.005 0.000 0.197 339 E C 1.089 177.515 176.600 -0.291 0.000 0.914 339 E CA 0.414 56.603 56.400 -0.351 0.000 0.914 339 E CB -0.334 28.924 29.700 -0.737 0.000 0.893 339 E HN 0.591 nan 8.360 nan 0.000 0.479 340 Y N 0.308 120.665 120.300 0.095 0.000 2.511 340 Y HA 0.298 4.851 4.550 0.006 0.000 0.279 340 Y C 0.227 176.186 175.900 0.098 0.000 1.157 340 Y CA -0.104 58.051 58.100 0.092 0.000 1.300 340 Y CB 0.366 38.882 38.460 0.093 0.000 1.052 340 Y HN 0.002 nan 8.280 nan 0.000 0.529 341 L N 0.647 121.999 121.223 0.215 0.000 2.275 341 L HA 0.680 5.023 4.340 0.005 0.000 0.288 341 L C 0.489 177.430 176.870 0.118 0.000 1.046 341 L CA 0.074 55.014 54.840 0.167 0.000 0.805 341 L CB 0.763 42.928 42.059 0.177 0.000 1.193 341 L HN 0.266 nan 8.230 nan 0.000 0.426 342 G N 2.024 110.890 108.800 0.110 0.000 2.559 342 G HA2 0.135 4.098 3.960 0.005 0.000 0.291 342 G HA3 0.135 4.098 3.960 0.005 0.000 0.291 342 G C -1.441 173.519 174.900 0.101 0.000 1.424 342 G CA -0.596 44.559 45.100 0.092 0.000 0.786 342 G HN 0.416 nan 8.290 nan 0.000 0.485 343 D N 1.240 121.696 120.400 0.094 0.000 2.426 343 D HA 0.087 4.730 4.640 0.005 0.000 0.261 343 D C -0.477 175.952 176.300 0.215 0.000 1.245 343 D CA -1.357 52.731 54.000 0.146 0.000 0.917 343 D CB 1.591 42.463 40.800 0.119 0.000 1.123 343 D HN 0.059 nan 8.370 nan 0.000 0.508 344 P HA -0.147 nan 4.420 nan 0.000 0.219 344 P C 0.402 177.782 177.300 0.133 0.000 1.146 344 P CA 0.791 63.966 63.100 0.126 0.000 0.808 344 P CB 0.418 32.156 31.700 0.064 0.000 0.779 345 D N -1.547 118.960 120.400 0.178 0.000 2.371 345 D HA -0.018 4.625 4.640 0.005 0.000 0.221 345 D C 1.231 177.484 176.300 -0.079 0.000 0.986 345 D CA 0.817 54.857 54.000 0.067 0.000 0.899 345 D CB -0.327 40.525 40.800 0.086 0.000 0.902 345 D HN 0.280 nan 8.370 nan 0.000 0.530 346 F N -0.603 119.369 119.950 0.036 0.000 2.619 346 F HA 0.184 4.713 4.527 0.005 0.000 0.281 346 F C 0.689 176.515 175.800 0.044 0.000 1.065 346 F CA -0.211 57.812 58.000 0.038 0.000 1.304 346 F CB 0.726 39.751 39.000 0.041 0.000 1.059 346 F HN -0.288 nan 8.300 nan 0.000 0.648 347 V N 0.525 120.581 119.914 0.237 0.000 2.962 347 V HA 0.438 4.561 4.120 0.005 0.000 0.313 347 V C -1.005 175.170 176.094 0.136 0.000 1.099 347 V CA -0.961 61.437 62.300 0.163 0.000 0.971 347 V CB 2.128 34.046 31.823 0.159 0.000 1.028 347 V HN 0.057 nan 8.190 nan 0.000 0.430 348 K N 4.178 124.649 120.400 0.118 0.000 2.262 348 K HA 0.598 4.921 4.320 0.005 0.000 0.282 348 K C -1.295 175.385 176.600 0.134 0.000 1.066 348 K CA -0.442 55.914 56.287 0.115 0.000 0.901 348 K CB 1.279 33.828 32.500 0.081 0.000 1.089 348 K HN 0.587 nan 8.250 nan 0.000 0.476 349 V N 7.018 127.033 119.914 0.168 0.000 2.439 349 V HA 0.247 4.370 4.120 0.005 0.000 0.282 349 V C -1.716 174.463 176.094 0.142 0.000 1.039 349 V CA -1.632 60.777 62.300 0.181 0.000 0.913 349 V CB 1.270 33.214 31.823 0.202 0.000 0.983 349 V HN 0.818 nan 8.190 nan 0.000 0.460 350 P HA 0.023 nan 4.420 nan 0.000 0.225 350 P C 1.086 178.266 177.300 -0.200 0.000 1.768 350 P CA -0.235 62.743 63.100 -0.204 0.000 0.943 350 P CB -0.167 31.311 31.700 -0.370 0.000 1.936 351 W N 1.338 122.575 121.300 -0.105 0.000 2.374 351 W HA -0.173 4.487 4.660 0.001 0.000 0.288 351 W C 0.695 177.158 176.519 -0.093 0.000 1.218 351 W CA 0.550 57.833 57.345 -0.103 0.000 1.245 351 W CB -1.477 27.932 29.460 -0.086 0.000 1.126 351 W HN 0.086 nan 8.180 nan 0.000 0.545 352 Q N 1.653 120.858 119.800 -0.993 0.000 2.050 352 Q HA -0.067 4.276 4.340 0.005 0.000 0.202 352 Q C 2.837 178.622 176.000 -0.358 0.000 0.980 352 Q CA 2.885 58.183 55.803 -0.842 0.000 0.840 352 Q CB -1.062 27.076 28.738 -1.000 0.000 0.898 352 Q HN 0.319 nan 8.270 nan 0.000 0.424 353 A N 0.552 123.167 122.820 -0.341 0.000 1.877 353 A HA -0.141 4.182 4.320 0.005 0.000 0.216 353 A C 2.111 179.557 177.584 -0.230 0.000 1.186 353 A CA 1.194 53.076 52.037 -0.258 0.000 0.620 353 A CB -0.813 17.998 19.000 -0.315 0.000 0.822 353 A HN 0.328 nan 8.150 nan 0.000 0.443 354 L N -0.090 121.023 121.223 -0.182 0.000 2.079 354 L HA -0.166 4.176 4.340 0.005 0.000 0.210 354 L C 2.639 179.570 176.870 0.101 0.000 1.081 354 L CA 1.835 56.681 54.840 0.010 0.000 0.752 354 L CB -0.661 41.401 42.059 0.005 0.000 0.896 354 L HN 0.653 nan 8.230 nan 0.000 0.433 355 T N -4.158 110.421 114.554 0.041 0.000 3.107 355 T HA 0.013 4.366 4.350 0.005 0.000 0.249 355 T C 0.832 175.545 174.700 0.022 0.000 1.096 355 T CA -0.414 61.716 62.100 0.051 0.000 1.012 355 T CB -0.465 68.462 68.868 0.097 0.000 0.977 355 T HN 0.142 nan 8.240 nan 0.000 0.527 356 N N 2.045 120.741 118.700 -0.007 0.000 2.468 356 N HA 0.054 4.797 4.740 0.005 0.000 0.265 356 N C 0.854 176.342 175.510 -0.036 0.000 1.199 356 N CA 0.089 53.121 53.050 -0.029 0.000 0.928 356 N CB 0.938 39.392 38.487 -0.055 0.000 1.059 356 N HN 0.330 nan 8.380 nan 0.000 0.467 357 K N 2.862 123.248 120.400 -0.024 0.000 2.211 357 K HA -0.101 4.221 4.320 0.005 0.000 0.203 357 K C 1.666 178.229 176.600 -0.062 0.000 1.050 357 K CA 1.200 57.465 56.287 -0.036 0.000 0.945 357 K CB 0.002 32.494 32.500 -0.014 0.000 0.732 357 K HN 0.646 nan 8.250 nan 0.000 0.451 358 A N 1.032 123.833 122.820 -0.031 0.000 1.877 358 A HA -0.222 4.101 4.320 0.005 0.000 0.216 358 A C 2.063 179.553 177.584 -0.157 0.000 1.186 358 A CA 1.378 53.428 52.037 0.021 0.000 0.620 358 A CB -0.807 18.339 19.000 0.242 0.000 0.822 358 A HN 0.394 nan 8.150 nan 0.000 0.443 359 Y N 0.872 120.714 120.300 -0.762 0.000 2.128 359 Y HA -0.141 4.411 4.550 0.004 0.000 0.284 359 Y C 2.667 178.300 175.900 -0.445 0.000 1.154 359 Y CA 1.210 58.664 58.100 -1.077 0.000 1.149 359 Y CB -0.915 36.852 38.460 -1.155 0.000 0.976 359 Y HN 0.303 nan 8.280 nan 0.000 0.505 360 A N 0.211 122.789 122.820 -0.403 0.000 1.940 360 A HA -0.258 4.065 4.320 0.005 0.000 0.219 360 A C 2.210 179.622 177.584 -0.287 0.000 1.176 360 A CA 2.190 54.003 52.037 -0.374 0.000 0.631 360 A CB -0.749 18.145 19.000 -0.177 0.000 0.814 360 A HN 0.435 nan 8.150 nan 0.000 0.446 361 K N 0.845 121.123 120.400 -0.203 0.000 2.211 361 K HA -0.081 4.242 4.320 0.005 0.000 0.203 361 K C 2.065 178.573 176.600 -0.152 0.000 1.050 361 K CA 1.861 58.055 56.287 -0.154 0.000 0.945 361 K CB -0.403 32.039 32.500 -0.096 0.000 0.732 361 K HN 0.534 nan 8.250 nan 0.000 0.451 362 S N -0.231 115.370 115.700 -0.164 0.000 2.436 362 S HA -0.012 4.461 4.470 0.005 0.000 0.228 362 S C 1.794 176.264 174.600 -0.217 0.000 1.014 362 S CA 0.512 58.649 58.200 -0.105 0.000 0.950 362 S CB -0.246 62.977 63.200 0.038 0.000 0.784 362 S HN 0.183 nan 8.310 nan 0.000 0.504 363 I N 2.544 122.873 120.570 -0.402 0.000 2.406 363 I HA 0.097 4.270 4.170 0.005 0.000 0.249 363 I C 2.997 178.894 176.117 -0.367 0.000 1.122 363 I CA 0.884 61.830 61.300 -0.589 0.000 1.431 363 I CB -1.857 35.670 38.000 -0.789 0.000 1.087 363 I HN 0.412 nan 8.210 nan 0.000 0.424 364 A N 0.917 123.613 122.820 -0.207 0.000 1.908 364 A HA -0.222 4.101 4.320 0.005 0.000 0.218 364 A C 1.929 179.521 177.584 0.014 0.000 1.181 364 A CA 1.941 53.956 52.037 -0.037 0.000 0.627 364 A CB -0.606 18.302 19.000 -0.154 0.000 0.818 364 A HN 0.391 nan 8.150 nan 0.000 0.445 365 D N -0.125 120.241 120.400 -0.056 0.000 2.178 365 D HA -0.138 4.505 4.640 0.005 0.000 0.201 365 D C 1.487 177.804 176.300 0.029 0.000 0.980 365 D CA 1.127 55.121 54.000 -0.010 0.000 0.842 365 D CB -0.423 40.361 40.800 -0.026 0.000 0.948 365 D HN 0.643 nan 8.370 nan 0.000 0.472 366 Q N -0.016 119.784 119.800 0.001 0.000 2.387 366 Q HA 0.046 4.388 4.340 0.005 0.000 0.211 366 Q C -0.121 175.961 176.000 0.136 0.000 0.952 366 Q CA 0.234 56.074 55.803 0.061 0.000 0.957 366 Q CB 0.520 29.288 28.738 0.051 0.000 1.002 366 Q HN 0.181 nan 8.270 nan 0.000 0.502 367 I N 0.965 121.618 120.570 0.139 0.000 2.362 367 I HA 0.208 4.381 4.170 0.005 0.000 0.289 367 I C -0.407 175.785 176.117 0.125 0.000 0.994 367 I CA -0.919 60.477 61.300 0.160 0.000 1.158 367 I CB 1.572 39.703 38.000 0.219 0.000 1.315 367 I HN -0.099 nan 8.210 nan 0.000 0.451 368 D N 5.537 125.978 120.400 0.068 0.000 2.392 368 D HA 0.190 4.833 4.640 0.005 0.000 0.228 368 D C 0.931 177.224 176.300 -0.011 0.000 1.074 368 D CA -0.474 53.550 54.000 0.041 0.000 0.838 368 D CB 1.370 42.188 40.800 0.031 0.000 1.067 368 D HN 0.426 nan 8.370 nan 0.000 0.511 369 I N 3.935 124.492 120.570 -0.022 0.000 2.423 369 I HA -0.190 3.983 4.170 0.005 0.000 0.254 369 I C 0.432 176.494 176.117 -0.092 0.000 1.151 369 I CA 1.390 62.629 61.300 -0.101 0.000 1.421 369 I CB -0.078 37.869 38.000 -0.088 0.000 1.079 369 I HN 0.281 nan 8.210 nan 0.000 0.431 370 N N 0.675 119.347 118.700 -0.046 0.000 2.328 370 N HA 0.253 4.996 4.740 0.005 0.000 0.247 370 N C -0.839 174.652 175.510 -0.032 0.000 1.165 370 N CA -0.136 52.889 53.050 -0.041 0.000 0.873 370 N CB 0.355 38.828 38.487 -0.023 0.000 1.125 370 N HN 0.230 nan 8.380 nan 0.000 0.513 371 K N -0.096 120.284 120.400 -0.033 0.000 2.592 371 K HA 0.571 4.894 4.320 0.005 0.000 0.259 371 K C -1.558 175.028 176.600 -0.024 0.000 0.937 371 K CA -0.568 55.704 56.287 -0.024 0.000 0.874 371 K CB 1.027 33.521 32.500 -0.010 0.000 1.339 371 K HN 0.001 nan 8.250 nan 0.000 0.425 372 A N 2.833 125.635 122.820 -0.030 0.000 2.274 372 A HA 0.618 4.940 4.320 0.005 0.000 0.297 372 A C -0.924 176.647 177.584 -0.022 0.000 1.191 372 A CA -0.397 51.621 52.037 -0.033 0.000 0.889 372 A CB 0.808 19.779 19.000 -0.049 0.000 1.294 372 A HN 0.638 nan 8.150 nan 0.000 0.506 373 K N 0.438 120.817 120.400 -0.035 0.000 2.613 373 K HA 0.447 4.769 4.320 0.005 0.000 0.248 373 K C -2.971 173.590 176.600 -0.066 0.000 0.959 373 K CA -1.723 54.544 56.287 -0.034 0.000 0.855 373 K CB 1.450 33.943 32.500 -0.012 0.000 1.143 373 K HN 0.318 nan 8.250 nan 0.000 0.437 374 P HA -0.039 nan 4.420 nan 0.000 0.261 374 P C 0.049 177.303 177.300 -0.076 0.000 1.173 374 P CA 0.287 63.352 63.100 -0.058 0.000 0.760 374 P CB 0.798 32.475 31.700 -0.038 0.000 0.783 375 S N 1.706 117.353 115.700 -0.088 0.000 2.440 375 S HA -0.189 4.284 4.470 0.005 0.000 0.240 375 S C 1.873 176.431 174.600 -0.071 0.000 1.014 375 S CA 1.798 59.938 58.200 -0.101 0.000 0.980 375 S CB -0.651 62.493 63.200 -0.092 0.000 0.775 375 S HN 0.701 nan 8.310 nan 0.000 0.499 376 S N 1.801 117.470 115.700 -0.051 0.000 2.383 376 S HA -0.071 4.402 4.470 0.005 0.000 0.227 376 S C 1.030 175.618 174.600 -0.021 0.000 1.026 376 S CA 0.626 58.808 58.200 -0.031 0.000 0.981 376 S CB -0.389 62.796 63.200 -0.025 0.000 0.818 376 S HN 0.605 nan 8.310 nan 0.000 0.472 377 E N 1.131 121.317 120.200 -0.023 0.000 2.304 377 E HA 0.300 4.652 4.350 0.005 0.000 0.212 377 E C -0.833 175.767 176.600 0.000 0.000 1.185 377 E CA -0.129 56.270 56.400 -0.003 0.000 1.326 377 E CB 0.055 29.756 29.700 0.002 0.000 1.283 377 E HN 0.409 nan 8.360 nan 0.000 0.440 378 I N 1.507 122.065 120.570 -0.019 0.000 2.571 378 I HA 0.348 4.521 4.170 0.005 0.000 0.289 378 I C -0.310 175.819 176.117 0.019 0.000 1.115 378 I CA -0.688 60.599 61.300 -0.022 0.000 1.045 378 I CB 1.525 39.410 38.000 -0.193 0.000 1.238 378 I HN -0.003 nan 8.210 nan 0.000 0.424 379 R N 4.594 125.146 120.500 0.088 0.000 2.888 379 R HA 0.616 4.959 4.340 0.005 0.000 0.264 379 R C -2.665 173.723 176.300 0.146 0.000 1.045 379 R CA -2.472 53.679 56.100 0.085 0.000 0.962 379 R CB 0.236 30.580 30.300 0.074 0.000 1.210 379 R HN 0.197 nan 8.270 nan 0.000 0.479 380 P HA 0.019 nan 4.420 nan 0.000 0.260 380 P C 0.221 177.694 177.300 0.289 0.000 1.185 380 P CA 0.554 63.759 63.100 0.175 0.000 0.763 380 P CB 0.205 31.890 31.700 -0.026 0.000 0.776 381 G N 3.569 112.611 108.800 0.404 0.000 2.720 381 G HA2 0.006 3.969 3.960 0.005 0.000 0.237 381 G HA3 0.006 3.969 3.960 0.005 0.000 0.237 381 G C -0.200 174.859 174.900 0.266 0.000 1.239 381 G CA -0.491 44.846 45.100 0.395 0.000 0.847 381 G HN 0.313 nan 8.290 nan 0.000 0.593 382 K N 1.552 122.081 120.400 0.215 0.000 2.231 382 K HA 0.188 4.510 4.320 0.005 0.000 0.275 382 K C 1.037 177.664 176.600 0.044 0.000 1.105 382 K CA -0.246 56.115 56.287 0.123 0.000 0.931 382 K CB 1.027 33.599 32.500 0.120 0.000 1.296 382 K HN 0.375 nan 8.250 nan 0.000 0.446 383 L N 1.364 122.531 121.223 -0.092 0.000 2.599 383 L HA 0.007 4.349 4.340 0.005 0.000 0.230 383 L C 1.985 178.792 176.870 -0.104 0.000 1.141 383 L CA 0.070 54.801 54.840 -0.181 0.000 0.877 383 L CB -0.472 41.340 42.059 -0.411 0.000 1.009 383 L HN 0.532 nan 8.230 nan 0.000 0.447 384 A N 2.245 125.002 122.820 -0.104 0.000 1.859 384 A HA -0.158 4.165 4.320 0.005 0.000 0.218 384 A C -0.091 177.345 177.584 -0.248 0.000 1.209 384 A CA 1.886 53.839 52.037 -0.141 0.000 0.639 384 A CB -1.976 16.963 19.000 -0.101 0.000 0.835 384 A HN 0.328 nan 8.150 nan 0.000 0.450 385 P HA -0.052 nan 4.420 nan 0.000 0.251 385 P C -0.422 176.361 177.300 -0.861 0.000 1.251 385 P CA 0.932 63.654 63.100 -0.631 0.000 0.763 385 P CB -0.271 31.000 31.700 -0.716 0.000 1.067 386 Y N -1.683 118.537 120.300 -0.133 0.000 2.563 386 Y HA 0.238 4.790 4.550 0.003 0.000 0.250 386 Y C 1.369 177.157 175.900 -0.187 0.000 1.126 386 Y CA -0.668 57.341 58.100 -0.152 0.000 1.231 386 Y CB 0.011 38.355 38.460 -0.194 0.000 1.288 386 Y HN -0.132 nan 8.280 nan 0.000 0.537 387 E N 0.000 120.133 120.200 -0.111 0.000 2.725 387 E HA 0.000 4.353 4.350 0.005 0.000 0.291 387 E CA 0.000 56.316 56.400 -0.140 0.000 0.976 387 E CB 0.000 29.619 29.700 -0.135 0.000 0.812 387 E HN 0.000 nan 8.360 nan 0.000 0.440