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 1ngb_1_A DATA FIRST_RESID 4 DATA SEQUENCE GPAVGIDLGT TYSCVGVFQH GKVEIIANDQ GNRTTPSYVA FTDTERLIGD DATA SEQUENCE AAKNQVAMNP TNTVFDAKRL IGRRFDDAVV QSDMKHWPFM VVNDAGRPKV DATA SEQUENCE QVEYKGETKS FYPEEVSSMV LTKMKEIAEA YLGKTVTNAV VTVPAYFNDS DATA SEQUENCE QRQATKDAGT IAGLNVLRII NQPTAAAIAY GLDKKVGAER NVLIFDLGGG DATA SEQUENCE TFDVSILTIE DGIFEVKSTA GDTHLGGEDF DNRMVNHFIA EFKRKHKKDI DATA SEQUENCE SENKRAVRRL RTACERAKRT LSSSTQASIE IDSLYEGIDF YTSITRARFE DATA SEQUENCE ELNADLFRGT LDPVEKALRD AKLDKSQIHD IVLVGGSTRI PKIQKLLQDF DATA SEQUENCE FNGKELNKSI NPDEAVAYGA AVQAAILS 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 4 G C 0.000 174.901 174.900 0.002 0.000 0.946 4 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 5 P HA 0.541 nan 4.420 nan 0.000 0.272 5 P C 0.147 177.453 177.300 0.010 0.000 1.230 5 P CA -0.152 62.952 63.100 0.007 0.000 0.788 5 P CB 0.937 32.640 31.700 0.004 0.000 0.949 6 A N 1.313 124.140 122.820 0.012 0.000 2.354 6 A HA 0.537 4.857 4.320 0.001 0.000 0.269 6 A C 0.126 177.713 177.584 0.005 0.000 1.109 6 A CA -0.399 51.641 52.037 0.005 0.000 0.800 6 A CB 0.091 19.090 19.000 -0.001 0.000 1.045 6 A HN 0.452 nan 8.150 nan 0.000 0.489 7 V N -0.273 119.639 119.914 -0.003 0.000 2.994 7 V HA 0.953 5.073 4.120 0.001 0.000 0.318 7 V C 0.345 176.427 176.094 -0.020 0.000 1.085 7 V CA -0.253 62.041 62.300 -0.010 0.000 0.998 7 V CB 1.532 33.348 31.823 -0.012 0.000 1.063 7 V HN 1.282 nan 8.190 nan 0.000 0.447 8 G N 1.698 110.481 108.800 -0.028 0.000 2.417 8 G HA2 0.716 4.677 3.960 0.001 0.000 0.320 8 G HA3 0.716 4.677 3.960 0.001 0.000 0.320 8 G C -0.985 173.897 174.900 -0.030 0.000 1.204 8 G CA -0.669 44.413 45.100 -0.031 0.000 0.923 8 G HN 0.775 nan 8.290 nan 0.000 0.466 9 I N 1.911 122.464 120.570 -0.028 0.000 2.418 9 I HA 0.201 4.371 4.170 0.001 0.000 0.287 9 I C -1.164 174.937 176.117 -0.026 0.000 1.008 9 I CA -0.823 60.462 61.300 -0.024 0.000 1.104 9 I CB 2.410 40.398 38.000 -0.020 0.000 1.264 9 I HN 0.406 nan 8.210 nan 0.000 0.438 10 D N 7.168 127.557 120.400 -0.018 0.000 2.428 10 D HA 0.225 4.865 4.640 0.001 0.000 0.221 10 D C -0.880 175.415 176.300 -0.008 0.000 1.123 10 D CA -0.373 53.616 54.000 -0.019 0.000 0.869 10 D CB 1.097 41.895 40.800 -0.003 0.000 1.032 10 D HN 0.248 nan 8.370 nan 0.000 0.506 11 L N 4.972 126.180 121.223 -0.024 0.000 2.328 11 L HA 0.577 4.917 4.340 0.001 0.000 0.280 11 L C 0.429 177.294 176.870 -0.008 0.000 1.111 11 L CA -0.146 54.688 54.840 -0.010 0.000 0.909 11 L CB 0.450 42.500 42.059 -0.015 0.000 1.277 11 L HN 0.433 nan 8.230 nan 0.000 0.433 12 G N 2.045 110.861 108.800 0.027 0.000 2.502 12 G HA2 0.348 4.308 3.960 0.001 0.000 0.305 12 G HA3 0.348 4.308 3.960 0.001 0.000 0.305 12 G C 0.540 175.481 174.900 0.068 0.000 1.190 12 G CA 0.027 45.154 45.100 0.046 0.000 0.933 12 G HN 0.532 nan 8.290 nan 0.000 0.503 13 T N -0.368 114.240 114.554 0.090 0.000 2.777 13 T HA -0.112 4.239 4.350 0.001 0.000 0.266 13 T C 2.580 177.357 174.700 0.128 0.000 1.040 13 T CA 2.255 64.425 62.100 0.117 0.000 1.141 13 T CB -0.199 68.751 68.868 0.137 0.000 0.868 13 T HN 0.713 nan 8.240 nan 0.000 0.444 14 T N -2.107 112.534 114.554 0.146 0.000 3.026 14 T HA 0.266 4.616 4.350 0.001 0.000 0.245 14 T C 0.032 174.683 174.700 -0.082 0.000 1.004 14 T CA -0.231 61.934 62.100 0.108 0.000 1.069 14 T CB 0.038 69.031 68.868 0.209 0.000 1.005 14 T HN 0.262 nan 8.240 nan 0.000 0.472 15 Y N 0.823 121.175 120.300 0.087 0.000 2.524 15 Y HA 0.711 5.262 4.550 0.000 0.000 0.347 15 Y C -0.199 175.724 175.900 0.037 0.000 1.005 15 Y CA -1.049 57.086 58.100 0.058 0.000 1.025 15 Y CB 2.624 41.106 38.460 0.037 0.000 1.275 15 Y HN 0.039 nan 8.280 nan 0.000 0.460 16 S N 0.853 116.660 115.700 0.177 0.000 2.648 16 S HA 0.760 5.231 4.470 0.001 0.000 0.305 16 S C -1.383 173.268 174.600 0.085 0.000 1.094 16 S CA -0.669 57.587 58.200 0.094 0.000 0.983 16 S CB 2.010 65.239 63.200 0.048 0.000 1.101 16 S HN 0.755 nan 8.310 nan 0.000 0.514 17 C N 1.617 120.942 119.300 0.043 0.000 3.082 17 C HA 0.824 5.285 4.460 0.001 0.000 0.324 17 C C -1.217 173.771 174.990 -0.004 0.000 1.210 17 C CA -0.308 58.724 59.018 0.022 0.000 1.366 17 C CB 0.764 28.519 27.740 0.024 0.000 1.756 17 C HN 0.764 nan 8.230 nan 0.000 0.485 18 V N 4.656 124.555 119.914 -0.025 0.000 2.709 18 V HA 0.974 5.094 4.120 0.001 0.000 0.308 18 V C 0.068 176.116 176.094 -0.077 0.000 1.062 18 V CA 0.881 63.156 62.300 -0.043 0.000 0.901 18 V CB 1.731 33.530 31.823 -0.040 0.000 1.003 18 V HN 1.411 nan 8.190 nan 0.000 0.425 19 G N 3.453 112.206 108.800 -0.078 0.000 2.605 19 G HA2 0.715 4.675 3.960 0.001 0.000 0.296 19 G HA3 0.715 4.675 3.960 0.001 0.000 0.296 19 G C -1.783 173.058 174.900 -0.097 0.000 1.304 19 G CA -0.491 44.538 45.100 -0.118 0.000 0.941 19 G HN 1.233 nan 8.290 nan 0.000 0.475 20 V N 0.668 120.515 119.914 -0.112 0.000 2.841 20 V HA 0.732 4.853 4.120 0.001 0.000 0.310 20 V C -1.679 174.398 176.094 -0.030 0.000 1.090 20 V CA -1.079 61.193 62.300 -0.047 0.000 0.930 20 V CB 1.815 33.620 31.823 -0.029 0.000 1.014 20 V HN 0.731 nan 8.190 nan 0.000 0.425 21 F N 6.153 126.024 119.950 -0.132 0.000 2.404 21 F HA 0.637 5.164 4.527 0.000 0.000 0.358 21 F C 0.036 175.768 175.800 -0.114 0.000 1.120 21 F CA 0.163 58.083 58.000 -0.134 0.000 1.144 21 F CB 0.792 39.725 39.000 -0.111 0.000 1.133 21 F HN 0.512 nan 8.300 nan 0.000 0.495 22 Q N 5.363 124.816 119.800 -0.578 0.000 2.285 22 Q HA 0.196 4.536 4.340 0.001 0.000 0.269 22 Q C -0.754 174.894 176.000 -0.587 0.000 1.030 22 Q CA -0.852 54.631 55.803 -0.533 0.000 0.788 22 Q CB 1.802 30.348 28.738 -0.320 0.000 1.266 22 Q HN 0.909 nan 8.270 nan 0.000 0.438 23 H N 0.885 119.723 119.070 -0.386 0.000 2.692 23 H HA -0.248 4.308 4.556 0.001 0.000 0.316 23 H C 1.038 176.146 175.328 -0.367 0.000 1.176 23 H CA 0.766 56.646 56.048 -0.281 0.000 1.142 23 H CB -1.174 28.488 29.762 -0.166 0.000 1.475 23 H HN 1.163 nan 8.280 nan 0.000 0.423 24 G N -0.230 108.237 108.800 -0.555 0.000 2.175 24 G HA2 -0.366 3.595 3.960 0.001 0.000 0.265 24 G HA3 -0.366 3.595 3.960 0.001 0.000 0.265 24 G C 0.123 174.821 174.900 -0.337 0.000 0.979 24 G CA 0.921 45.822 45.100 -0.332 0.000 0.663 24 G HN 0.613 nan 8.290 nan 0.000 0.533 25 K N -0.717 119.325 120.400 -0.597 0.000 2.426 25 K HA 0.686 5.006 4.320 0.001 0.000 0.251 25 K C -0.586 175.798 176.600 -0.361 0.000 0.941 25 K CA -1.045 55.077 56.287 -0.275 0.000 0.808 25 K CB 3.108 35.523 32.500 -0.142 0.000 1.265 25 K HN 0.019 nan 8.250 nan 0.000 0.432 26 V N 2.156 121.917 119.914 -0.255 0.000 2.427 26 V HA 0.219 4.339 4.120 0.001 0.000 0.286 26 V C -0.503 175.398 176.094 -0.322 0.000 1.034 26 V CA -0.622 61.452 62.300 -0.376 0.000 0.893 26 V CB 1.299 32.544 31.823 -0.964 0.000 0.982 26 V HN 0.712 nan 8.190 nan 0.000 0.452 27 E N 4.871 124.923 120.200 -0.247 0.000 2.165 27 E HA 0.446 4.797 4.350 0.001 0.000 0.266 27 E C -1.131 175.324 176.600 -0.243 0.000 0.889 27 E CA -0.768 55.507 56.400 -0.210 0.000 0.756 27 E CB 2.050 31.640 29.700 -0.184 0.000 1.131 27 E HN 0.378 nan 8.360 nan 0.000 0.411 28 I N 4.449 124.906 120.570 -0.188 0.000 2.322 28 I HA 0.181 4.351 4.170 0.001 0.000 0.292 28 I C 0.286 176.268 176.117 -0.226 0.000 1.060 28 I CA -0.406 60.800 61.300 -0.156 0.000 1.309 28 I CB -0.039 37.924 38.000 -0.062 0.000 1.415 28 I HN 0.505 nan 8.210 nan 0.000 0.492 29 I N 5.656 126.055 120.570 -0.285 0.000 2.496 29 I HA 0.246 4.417 4.170 0.001 0.000 0.285 29 I C 0.898 176.912 176.117 -0.173 0.000 1.080 29 I CA -0.101 60.981 61.300 -0.364 0.000 1.404 29 I CB 0.837 38.602 38.000 -0.391 0.000 1.403 29 I HN 0.613 nan 8.210 nan 0.000 0.539 30 A N 5.535 128.278 122.820 -0.128 0.000 2.302 30 A HA 0.472 4.793 4.320 0.001 0.000 0.285 30 A C 0.013 177.589 177.584 -0.014 0.000 1.105 30 A CA -0.698 51.311 52.037 -0.046 0.000 0.816 30 A CB 0.390 19.378 19.000 -0.020 0.000 1.067 30 A HN 0.840 nan 8.150 nan 0.000 0.489 31 N N 0.488 119.187 118.700 -0.002 0.000 2.374 31 N HA 0.149 4.889 4.740 0.001 0.000 0.284 31 N C -0.060 175.459 175.510 0.015 0.000 1.280 31 N CA 0.229 53.284 53.050 0.008 0.000 0.963 31 N CB -0.169 38.322 38.487 0.007 0.000 1.141 31 N HN 0.541 nan 8.380 nan 0.000 0.565 32 D N -1.094 119.313 120.400 0.012 0.000 2.149 32 D HA -0.176 4.464 4.640 0.001 0.000 0.198 32 D C 1.148 177.453 176.300 0.009 0.000 0.990 32 D CA 1.477 55.484 54.000 0.012 0.000 0.839 32 D CB -0.140 40.663 40.800 0.006 0.000 0.948 32 D HN 0.582 nan 8.370 nan 0.000 0.460 33 Q N -0.613 119.190 119.800 0.005 0.000 2.444 33 Q HA 0.158 4.499 4.340 0.001 0.000 0.206 33 Q C 1.147 177.149 176.000 0.004 0.000 0.948 33 Q CA 0.488 56.293 55.803 0.003 0.000 0.946 33 Q CB 0.681 29.419 28.738 -0.000 0.000 1.027 33 Q HN 0.415 nan 8.270 nan 0.000 0.513 34 G N 1.309 110.113 108.800 0.008 0.000 2.176 34 G HA2 -0.206 3.754 3.960 0.001 0.000 0.253 34 G HA3 -0.206 3.754 3.960 0.001 0.000 0.253 34 G C -0.076 174.825 174.900 0.001 0.000 0.979 34 G CA -0.149 44.955 45.100 0.007 0.000 0.641 34 G HN 0.248 nan 8.290 nan 0.000 0.530 35 N N -0.178 118.524 118.700 0.003 0.000 2.530 35 N HA 0.455 5.195 4.740 0.001 0.000 0.277 35 N C 1.283 176.791 175.510 -0.003 0.000 1.168 35 N CA -0.272 52.779 53.050 0.002 0.000 0.979 35 N CB 0.721 39.220 38.487 0.020 0.000 1.141 35 N HN 0.335 nan 8.380 nan 0.000 0.459 36 R N -0.583 119.908 120.500 -0.014 0.000 2.317 36 R HA 0.075 4.415 4.340 0.001 0.000 0.208 36 R C 0.114 176.410 176.300 -0.007 0.000 0.914 36 R CA 0.405 56.492 56.100 -0.022 0.000 1.060 36 R CB 0.180 30.463 30.300 -0.030 0.000 1.015 36 R HN 0.684 nan 8.270 nan 0.000 0.498 37 T N -2.802 111.762 114.554 0.017 0.000 2.909 37 T HA 0.459 4.810 4.350 0.001 0.000 0.299 37 T C -0.385 174.412 174.700 0.160 0.000 1.073 37 T CA -0.782 61.362 62.100 0.074 0.000 0.999 37 T CB 2.667 71.556 68.868 0.035 0.000 1.098 37 T HN -0.240 nan 8.240 nan 0.000 0.477 38 T N 3.621 118.290 114.554 0.192 0.000 2.848 38 T HA 0.584 4.934 4.350 0.001 0.000 0.285 38 T C -2.817 171.940 174.700 0.095 0.000 0.995 38 T CA -1.272 60.911 62.100 0.138 0.000 0.970 38 T CB 1.593 70.492 68.868 0.051 0.000 0.976 38 T HN 0.425 nan 8.240 nan 0.000 0.441 39 P HA 0.128 nan 4.420 nan 0.000 0.266 39 P C -0.196 177.059 177.300 -0.074 0.000 1.195 39 P CA -0.134 62.720 63.100 -0.410 0.000 0.768 39 P CB 0.345 31.741 31.700 -0.507 0.000 0.838 40 S N 1.832 117.537 115.700 0.009 0.000 3.697 40 S HA 0.193 4.663 4.470 0.001 0.000 0.207 40 S C -0.472 174.189 174.600 0.103 0.000 1.459 40 S CA 0.100 58.332 58.200 0.053 0.000 1.122 40 S CB -1.206 62.009 63.200 0.026 0.000 1.311 40 S HN 0.301 nan 8.310 nan 0.000 0.487 41 Y N 0.190 120.415 120.300 -0.124 0.000 2.429 41 Y HA 0.612 5.162 4.550 0.001 0.000 0.342 41 Y C 0.036 175.838 175.900 -0.164 0.000 1.004 41 Y CA -1.213 56.826 58.100 -0.103 0.000 1.075 41 Y CB 1.448 39.849 38.460 -0.098 0.000 1.214 41 Y HN -0.009 nan 8.280 nan 0.000 0.455 42 V N 2.303 122.141 119.914 -0.127 0.000 2.686 42 V HA 0.885 5.006 4.120 0.001 0.000 0.306 42 V C -0.751 175.109 176.094 -0.390 0.000 1.065 42 V CA -0.976 61.129 62.300 -0.325 0.000 0.894 42 V CB 1.607 33.175 31.823 -0.424 0.000 1.004 42 V HN 0.855 nan 8.190 nan 0.000 0.424 43 A N 4.033 126.538 122.820 -0.525 0.000 2.414 43 A HA 0.970 5.290 4.320 0.001 0.000 0.306 43 A C -1.469 175.726 177.584 -0.649 0.000 1.054 43 A CA -0.406 51.403 52.037 -0.380 0.000 0.724 43 A CB 1.307 20.242 19.000 -0.107 0.000 1.267 43 A HN 0.623 nan 8.150 nan 0.000 0.418 44 F N 1.156 121.097 119.950 -0.015 0.000 2.493 44 F HA 0.621 5.147 4.527 -0.000 0.000 0.329 44 F C 0.972 176.864 175.800 0.153 0.000 1.126 44 F CA -0.113 57.909 58.000 0.037 0.000 0.937 44 F CB 2.630 41.645 39.000 0.024 0.000 1.146 44 F HN 0.738 nan 8.300 nan 0.000 0.442 45 T N -2.535 112.236 114.554 0.361 0.000 2.762 45 T HA 0.320 4.670 4.350 0.001 0.000 0.272 45 T C 0.575 175.420 174.700 0.243 0.000 0.982 45 T CA -0.659 61.591 62.100 0.250 0.000 1.013 45 T CB 1.361 70.319 68.868 0.150 0.000 1.309 45 T HN 0.348 nan 8.240 nan 0.000 0.572 46 D N 0.882 121.358 120.400 0.128 0.000 2.144 46 D HA -0.020 4.621 4.640 0.001 0.000 0.200 46 D C 2.071 178.379 176.300 0.014 0.000 0.978 46 D CA 2.155 56.187 54.000 0.053 0.000 0.833 46 D CB -0.266 40.555 40.800 0.036 0.000 0.961 46 D HN 0.827 nan 8.370 nan 0.000 0.470 47 T N -2.635 111.956 114.554 0.062 0.000 2.985 47 T HA 0.161 4.511 4.350 0.001 0.000 0.254 47 T C 0.629 175.404 174.700 0.124 0.000 1.021 47 T CA -0.299 61.832 62.100 0.050 0.000 0.957 47 T CB 0.817 69.710 68.868 0.041 0.000 1.047 47 T HN 0.329 nan 8.240 nan 0.000 0.511 48 E N 0.120 120.462 120.200 0.237 0.000 2.442 48 E HA 0.474 4.824 4.350 0.001 0.000 0.278 48 E C -1.489 175.279 176.600 0.280 0.000 1.082 48 E CA -1.346 55.226 56.400 0.286 0.000 0.861 48 E CB 1.263 31.036 29.700 0.122 0.000 1.462 48 E HN 0.085 nan 8.360 nan 0.000 0.458 49 R N 1.241 121.780 120.500 0.064 0.000 2.310 49 R HA 0.410 4.750 4.340 0.001 0.000 0.324 49 R C -1.426 174.740 176.300 -0.223 0.000 0.955 49 R CA -0.635 55.318 56.100 -0.246 0.000 0.830 49 R CB 0.735 30.848 30.300 -0.311 0.000 1.154 49 R HN 0.358 nan 8.270 nan 0.000 0.458 50 L N 5.931 126.982 121.223 -0.287 0.000 2.322 50 L HA 0.578 4.918 4.340 0.001 0.000 0.279 50 L C -0.286 176.440 176.870 -0.239 0.000 1.036 50 L CA -0.679 54.045 54.840 -0.193 0.000 0.807 50 L CB 1.650 43.633 42.059 -0.125 0.000 1.226 50 L HN 0.633 nan 8.230 nan 0.000 0.433 51 I N 1.398 121.874 120.570 -0.156 0.000 2.619 51 I HA 0.659 4.829 4.170 0.001 0.000 0.292 51 I C 0.585 176.656 176.117 -0.077 0.000 1.100 51 I CA -0.378 60.840 61.300 -0.137 0.000 1.043 51 I CB 1.895 39.810 38.000 -0.141 0.000 1.239 51 I HN 0.719 nan 8.210 nan 0.000 0.420 52 G N 4.723 113.494 108.800 -0.049 0.000 2.498 52 G HA2 -0.247 3.713 3.960 0.001 0.000 0.251 52 G HA3 -0.247 3.713 3.960 0.001 0.000 0.251 52 G C 0.413 175.270 174.900 -0.071 0.000 1.170 52 G CA 0.345 45.420 45.100 -0.042 0.000 0.944 52 G HN 0.571 nan 8.290 nan 0.000 0.567 53 D N 0.773 121.135 120.400 -0.063 0.000 2.133 53 D HA -0.051 4.590 4.640 0.001 0.000 0.195 53 D C 2.830 179.085 176.300 -0.076 0.000 0.997 53 D CA 2.418 56.373 54.000 -0.074 0.000 0.840 53 D CB -0.718 40.061 40.800 -0.036 0.000 0.947 53 D HN 0.854 nan 8.370 nan 0.000 0.452 54 A N 1.064 123.851 122.820 -0.055 0.000 1.940 54 A HA -0.074 4.246 4.320 0.001 0.000 0.219 54 A C 2.317 179.872 177.584 -0.048 0.000 1.176 54 A CA 2.250 54.259 52.037 -0.046 0.000 0.631 54 A CB -0.530 18.445 19.000 -0.041 0.000 0.814 54 A HN 0.264 nan 8.150 nan 0.000 0.446 55 A N -0.318 122.469 122.820 -0.054 0.000 1.854 55 A HA -0.101 4.219 4.320 0.001 0.000 0.214 55 A C 2.129 179.709 177.584 -0.006 0.000 1.192 55 A CA 1.840 53.866 52.037 -0.019 0.000 0.611 55 A CB -0.464 18.540 19.000 0.007 0.000 0.832 55 A HN 0.504 nan 8.150 nan 0.000 0.442 56 K N -0.209 120.103 120.400 -0.147 0.000 2.097 56 K HA -0.142 4.179 4.320 0.001 0.000 0.206 56 K C 1.032 177.519 176.600 -0.189 0.000 1.049 56 K CA 1.439 57.498 56.287 -0.380 0.000 0.933 56 K CB -0.166 31.888 32.500 -0.744 0.000 0.717 56 K HN 0.379 nan 8.250 nan 0.000 0.442 57 N N 1.136 119.765 118.700 -0.119 0.000 2.609 57 N HA -0.122 4.619 4.740 0.001 0.000 0.190 57 N C 0.526 176.020 175.510 -0.026 0.000 1.157 57 N CA 0.850 53.860 53.050 -0.066 0.000 0.918 57 N CB 0.384 38.841 38.487 -0.049 0.000 0.978 57 N HN 0.485 nan 8.380 nan 0.000 0.448 58 Q N -2.007 117.789 119.800 -0.008 0.000 2.103 58 Q HA 0.222 4.563 4.340 0.001 0.000 0.219 58 Q C 1.106 177.141 176.000 0.059 0.000 0.784 58 Q CA -0.139 55.679 55.803 0.024 0.000 1.014 58 Q CB -0.373 28.381 28.738 0.026 0.000 1.183 58 Q HN -0.066 nan 8.270 nan 0.000 0.469 59 V N 0.848 120.805 119.914 0.071 0.000 2.392 59 V HA -0.225 3.895 4.120 0.001 0.000 0.249 59 V C 2.110 178.275 176.094 0.119 0.000 1.059 59 V CA 2.372 64.754 62.300 0.136 0.000 1.051 59 V CB -0.614 31.316 31.823 0.178 0.000 0.658 59 V HN 0.563 nan 8.190 nan 0.000 0.455 60 A N 0.438 123.304 122.820 0.078 0.000 2.024 60 A HA -0.224 4.096 4.320 0.001 0.000 0.220 60 A C 2.150 179.779 177.584 0.074 0.000 1.164 60 A CA 2.448 54.527 52.037 0.071 0.000 0.643 60 A CB -0.498 18.531 19.000 0.047 0.000 0.806 60 A HN 0.871 nan 8.150 nan 0.000 0.451 61 M N -3.983 115.661 119.600 0.074 0.000 2.308 61 M HA 0.389 4.869 4.480 0.001 0.000 0.269 61 M C 0.229 176.581 176.300 0.086 0.000 1.040 61 M CA 0.458 55.800 55.300 0.071 0.000 1.024 61 M CB 0.438 33.071 32.600 0.055 0.000 1.465 61 M HN 0.122 nan 8.290 nan 0.000 0.517 62 N N 1.639 120.403 118.700 0.107 0.000 2.672 62 N HA 0.306 5.047 4.740 0.001 0.000 0.295 62 N C -2.192 173.418 175.510 0.168 0.000 1.924 62 N CA -1.736 51.391 53.050 0.127 0.000 0.851 62 N CB 0.718 39.278 38.487 0.120 0.000 1.281 62 N HN 0.062 nan 8.380 nan 0.000 0.494 63 P HA -0.135 nan 4.420 nan 0.000 0.216 63 P C 1.084 178.540 177.300 0.259 0.000 1.150 63 P CA 1.501 64.738 63.100 0.230 0.000 0.837 63 P CB -0.005 31.811 31.700 0.194 0.000 0.786 64 T N -3.913 110.765 114.554 0.207 0.000 2.995 64 T HA 0.026 4.376 4.350 0.001 0.000 0.269 64 T C 1.457 176.298 174.700 0.235 0.000 1.091 64 T CA 0.774 63.001 62.100 0.212 0.000 1.128 64 T CB -0.741 68.219 68.868 0.153 0.000 0.891 64 T HN 0.030 nan 8.240 nan 0.000 0.492 65 N N 0.919 119.752 118.700 0.222 0.000 2.203 65 N HA 0.122 4.862 4.740 0.001 0.000 0.207 65 N C -0.502 175.157 175.510 0.247 0.000 1.130 65 N CA 0.108 53.304 53.050 0.242 0.000 0.861 65 N CB 0.947 39.578 38.487 0.241 0.000 1.005 65 N HN 0.349 nan 8.380 nan 0.000 0.507 66 T N 1.377 116.067 114.554 0.227 0.000 2.770 66 T HA 0.366 4.716 4.350 0.001 0.000 0.297 66 T C 0.191 174.966 174.700 0.126 0.000 0.997 66 T CA -0.336 61.876 62.100 0.188 0.000 0.949 66 T CB 1.957 70.982 68.868 0.263 0.000 0.941 66 T HN -0.267 nan 8.240 nan 0.000 0.457 67 V N 5.957 125.776 119.914 -0.159 0.000 2.481 67 V HA 0.763 4.883 4.120 0.001 0.000 0.286 67 V C -0.277 175.478 176.094 -0.565 0.000 1.042 67 V CA -0.648 61.246 62.300 -0.677 0.000 0.928 67 V CB 0.428 31.811 31.823 -0.733 0.000 0.986 67 V HN 0.861 nan 8.190 nan 0.000 0.462 68 F N 0.247 119.761 119.950 -0.727 0.000 2.754 68 F HA 0.718 5.246 4.527 0.001 0.000 0.320 68 F C 0.078 175.633 175.800 -0.408 0.000 1.156 68 F CA -1.331 56.254 58.000 -0.692 0.000 0.950 68 F CB 0.899 39.237 39.000 -1.103 0.000 1.388 68 F HN 0.395 nan 8.300 nan 0.000 0.485 69 D N -0.276 120.119 120.400 -0.007 0.000 2.983 69 D HA -0.201 4.440 4.640 0.001 0.000 0.225 69 D C 1.302 177.527 176.300 -0.125 0.000 1.174 69 D CA 1.062 55.089 54.000 0.044 0.000 0.831 69 D CB -1.155 39.800 40.800 0.258 0.000 1.104 69 D HN 0.927 nan 8.370 nan 0.000 0.421 70 A N 0.043 122.744 122.820 -0.199 0.000 2.019 70 A HA -0.208 4.112 4.320 0.001 0.000 0.219 70 A C 2.047 179.620 177.584 -0.018 0.000 1.164 70 A CA 1.972 53.904 52.037 -0.176 0.000 0.644 70 A CB -0.246 18.645 19.000 -0.181 0.000 0.805 70 A HN 0.330 nan 8.150 nan 0.000 0.449 71 K N -0.242 120.192 120.400 0.057 0.000 2.209 71 K HA -0.105 4.216 4.320 0.001 0.000 0.204 71 K C 2.008 178.737 176.600 0.215 0.000 1.048 71 K CA 1.094 57.480 56.287 0.165 0.000 0.940 71 K CB -0.115 32.497 32.500 0.186 0.000 0.729 71 K HN 0.483 nan 8.250 nan 0.000 0.451 72 R N -0.229 120.391 120.500 0.200 0.000 2.189 72 R HA -0.009 4.332 4.340 0.001 0.000 0.218 72 R C 1.599 178.019 176.300 0.199 0.000 1.074 72 R CA 0.451 56.701 56.100 0.251 0.000 0.991 72 R CB 0.110 30.650 30.300 0.399 0.000 0.883 72 R HN 0.155 nan 8.270 nan 0.000 0.457 73 L N 0.429 121.732 121.223 0.133 0.000 2.316 73 L HA 0.185 4.525 4.340 0.001 0.000 0.207 73 L C 1.284 178.182 176.870 0.046 0.000 1.070 73 L CA 0.193 55.093 54.840 0.101 0.000 0.820 73 L CB -0.592 41.504 42.059 0.062 0.000 0.992 73 L HN 0.120 nan 8.230 nan 0.000 0.466 74 I N 1.147 121.736 120.570 0.031 0.000 2.989 74 I HA -0.082 4.088 4.170 0.001 0.000 0.311 74 I C 1.456 177.531 176.117 -0.069 0.000 1.221 74 I CA 1.372 62.676 61.300 0.007 0.000 1.449 74 I CB 0.413 38.443 38.000 0.051 0.000 1.325 74 I HN 0.603 nan 8.210 nan 0.000 0.557 75 G N 5.597 114.368 108.800 -0.049 0.000 2.166 75 G HA2 -0.331 3.629 3.960 0.001 0.000 0.260 75 G HA3 -0.331 3.629 3.960 0.001 0.000 0.260 75 G C 0.433 175.290 174.900 -0.073 0.000 0.986 75 G CA 0.588 45.640 45.100 -0.080 0.000 0.683 75 G HN 0.707 nan 8.290 nan 0.000 0.527 76 R N -0.576 119.904 120.500 -0.034 0.000 2.828 76 R HA 0.728 5.068 4.340 0.001 0.000 0.264 76 R C 0.490 176.815 176.300 0.042 0.000 1.022 76 R CA -0.968 55.127 56.100 -0.008 0.000 1.021 76 R CB 0.854 31.152 30.300 -0.003 0.000 1.163 76 R HN 0.255 nan 8.270 nan 0.000 0.494 77 R N 0.908 121.439 120.500 0.051 0.000 2.643 77 R HA 0.179 4.519 4.340 0.001 0.000 0.272 77 R C 0.628 177.008 176.300 0.133 0.000 0.995 77 R CA -0.440 55.719 56.100 0.099 0.000 1.032 77 R CB 0.660 31.008 30.300 0.080 0.000 1.126 77 R HN 0.543 nan 8.270 nan 0.000 0.505 78 F N 2.046 122.027 119.950 0.052 0.000 2.171 78 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 78 F C 1.774 177.598 175.800 0.040 0.000 1.090 78 F CA 1.975 60.008 58.000 0.055 0.000 1.293 78 F CB 0.123 39.154 39.000 0.051 0.000 1.013 78 F HN 0.635 nan 8.300 nan 0.000 0.486 79 D N -1.035 119.491 120.400 0.210 0.000 2.350 79 D HA -0.177 4.464 4.640 0.001 0.000 0.216 79 D C 0.233 176.539 176.300 0.010 0.000 0.968 79 D CA 0.391 54.458 54.000 0.113 0.000 0.894 79 D CB -0.936 39.936 40.800 0.119 0.000 0.909 79 D HN 0.307 nan 8.370 nan 0.000 0.520 80 D N 0.849 121.245 120.400 -0.007 0.000 2.531 80 D HA 0.057 4.698 4.640 0.001 0.000 0.239 80 D C 1.235 177.501 176.300 -0.056 0.000 1.144 80 D CA 0.158 54.145 54.000 -0.022 0.000 0.869 80 D CB 1.469 42.262 40.800 -0.011 0.000 1.160 80 D HN 0.102 nan 8.370 nan 0.000 0.484 81 A N 3.919 126.714 122.820 -0.040 0.000 1.948 81 A HA -0.190 4.131 4.320 0.001 0.000 0.220 81 A C 2.295 179.840 177.584 -0.064 0.000 1.177 81 A CA 1.360 53.365 52.037 -0.054 0.000 0.636 81 A CB -0.462 18.516 19.000 -0.036 0.000 0.815 81 A HN 0.566 nan 8.150 nan 0.000 0.449 82 V N -0.455 119.438 119.914 -0.035 0.000 2.255 82 V HA -0.269 3.851 4.120 0.001 0.000 0.247 82 V C 2.538 178.610 176.094 -0.037 0.000 1.051 82 V CA 2.106 64.400 62.300 -0.009 0.000 1.018 82 V CB -1.084 30.761 31.823 0.036 0.000 0.641 82 V HN 0.378 nan 8.190 nan 0.000 0.445 83 V N -0.476 119.409 119.914 -0.047 0.000 2.287 83 V HA -0.271 3.849 4.120 0.001 0.000 0.248 83 V C 2.661 178.633 176.094 -0.203 0.000 1.053 83 V CA 1.872 64.128 62.300 -0.073 0.000 1.027 83 V CB -0.728 31.026 31.823 -0.116 0.000 0.646 83 V HN 0.516 nan 8.190 nan 0.000 0.447 84 Q N -0.010 119.652 119.800 -0.231 0.000 2.096 84 Q HA -0.155 4.185 4.340 0.001 0.000 0.204 84 Q C 2.516 178.370 176.000 -0.243 0.000 0.982 84 Q CA 2.128 57.782 55.803 -0.248 0.000 0.850 84 Q CB -0.616 28.013 28.738 -0.181 0.000 0.901 84 Q HN 0.684 nan 8.270 nan 0.000 0.422 85 S N 1.297 116.869 115.700 -0.214 0.000 2.345 85 S HA -0.111 4.360 4.470 0.001 0.000 0.219 85 S C 1.513 175.899 174.600 -0.357 0.000 1.031 85 S CA 1.165 59.222 58.200 -0.238 0.000 0.984 85 S CB -0.250 62.850 63.200 -0.166 0.000 0.874 85 S HN 0.329 nan 8.310 nan 0.000 0.451 86 D N 2.404 122.585 120.400 -0.365 0.000 2.104 86 D HA -0.137 4.503 4.640 0.001 0.000 0.194 86 D C 2.007 177.577 176.300 -1.216 0.000 0.994 86 D CA 1.351 54.950 54.000 -0.667 0.000 0.830 86 D CB -0.509 39.943 40.800 -0.581 0.000 0.959 86 D HN 0.546 nan 8.370 nan 0.000 0.452 87 M N -0.491 118.586 119.600 -0.871 0.000 2.530 87 M HA -0.050 4.430 4.480 0.001 0.000 0.261 87 M C 1.025 177.052 176.300 -0.454 0.000 1.067 87 M CA 1.297 56.286 55.300 -0.519 0.000 1.071 87 M CB -0.136 32.422 32.600 -0.069 0.000 1.405 87 M HN -0.247 nan 8.290 nan 0.000 0.478 88 K N 0.065 120.110 120.400 -0.593 0.000 2.486 88 K HA 0.014 4.335 4.320 0.001 0.000 0.194 88 K C 0.820 177.011 176.600 -0.681 0.000 1.033 88 K CA 0.761 56.700 56.287 -0.580 0.000 1.004 88 K CB -0.268 31.844 32.500 -0.647 0.000 0.798 88 K HN 0.633 nan 8.250 nan 0.000 0.495 89 H N -1.900 116.917 119.070 -0.422 0.000 2.893 89 H HA 0.104 4.660 4.556 0.000 0.000 0.270 89 H C -0.038 175.147 175.328 -0.240 0.000 1.095 89 H CA -0.288 55.567 56.048 -0.322 0.000 1.186 89 H CB 0.412 29.974 29.762 -0.333 0.000 1.562 89 H HN 0.032 nan 8.280 nan 0.000 0.536 90 W N 3.321 124.484 121.300 -0.228 0.000 2.417 90 W HA 0.258 4.919 4.660 0.001 0.000 0.317 90 W C -1.478 174.766 176.519 -0.459 0.000 1.121 90 W CA -2.511 54.497 57.345 -0.563 0.000 1.208 90 W CB 0.740 29.363 29.460 -1.395 0.000 1.253 90 W HN -0.010 nan 8.180 nan 0.000 0.533 91 P HA -0.057 nan 4.420 nan 0.000 0.236 91 P C 0.103 177.443 177.300 0.067 0.000 1.177 91 P CA 0.642 63.779 63.100 0.063 0.000 0.773 91 P CB 0.120 31.944 31.700 0.206 0.000 0.878 92 F N -0.731 119.277 119.950 0.097 0.000 2.378 92 F HA 0.647 5.175 4.527 0.001 0.000 0.325 92 F C 0.378 176.215 175.800 0.060 0.000 1.097 92 F CA -2.093 55.928 58.000 0.035 0.000 1.079 92 F CB 0.173 39.130 39.000 -0.071 0.000 1.240 92 F HN -0.339 nan 8.300 nan 0.000 0.519 93 M N 2.319 122.097 119.600 0.297 0.000 2.318 93 M HA 0.620 5.100 4.480 0.001 0.000 0.347 93 M C -1.643 174.816 176.300 0.265 0.000 1.175 93 M CA -0.727 54.697 55.300 0.207 0.000 1.075 93 M CB 1.496 34.175 32.600 0.132 0.000 1.614 93 M HN 0.542 nan 8.290 nan 0.000 0.456 94 V N 5.782 125.849 119.914 0.255 0.000 2.384 94 V HA 0.528 4.648 4.120 0.001 0.000 0.287 94 V C -0.293 176.005 176.094 0.339 0.000 1.020 94 V CA -0.746 61.733 62.300 0.298 0.000 0.850 94 V CB 1.171 33.199 31.823 0.342 0.000 0.987 94 V HN 0.737 nan 8.190 nan 0.000 0.436 95 V N 1.855 121.910 119.914 0.235 0.000 2.994 95 V HA 0.726 4.846 4.120 0.001 0.000 0.318 95 V C -0.345 175.713 176.094 -0.061 0.000 1.085 95 V CA -0.878 61.473 62.300 0.084 0.000 0.998 95 V CB 2.162 33.967 31.823 -0.031 0.000 1.063 95 V HN 0.728 nan 8.190 nan 0.000 0.447 96 N N 1.779 120.177 118.700 -0.504 0.000 2.425 96 N HA 0.318 5.058 4.740 0.001 0.000 0.268 96 N C -1.368 173.967 175.510 -0.292 0.000 0.991 96 N CA -0.169 52.471 53.050 -0.683 0.000 0.931 96 N CB 1.329 39.003 38.487 -1.356 0.000 1.130 96 N HN 0.919 nan 8.380 nan 0.000 0.493 97 D N 3.220 123.547 120.400 -0.123 0.000 2.462 97 D HA 0.353 4.994 4.640 0.001 0.000 0.249 97 D C -0.333 175.977 176.300 0.018 0.000 1.117 97 D CA -0.280 53.689 54.000 -0.051 0.000 0.900 97 D CB 0.231 41.010 40.800 -0.034 0.000 1.039 97 D HN 0.713 nan 8.370 nan 0.000 0.516 98 A N 2.713 125.518 122.820 -0.026 0.000 2.687 98 A HA -0.016 4.304 4.320 0.001 0.000 0.299 98 A C 1.522 179.119 177.584 0.021 0.000 1.497 98 A CA 1.693 53.728 52.037 -0.003 0.000 0.751 98 A CB -1.921 17.090 19.000 0.018 0.000 1.048 98 A HN 1.480 nan 8.150 nan 0.000 0.464 99 G N -2.034 106.773 108.800 0.013 0.000 2.241 99 G HA2 -0.261 3.699 3.960 0.001 0.000 0.244 99 G HA3 -0.261 3.699 3.960 0.001 0.000 0.244 99 G C 0.229 175.215 174.900 0.144 0.000 0.998 99 G CA 0.555 45.699 45.100 0.073 0.000 0.621 99 G HN 1.202 nan 8.290 nan 0.000 0.519 100 R N 1.610 122.199 120.500 0.149 0.000 2.349 100 R HA 0.424 4.764 4.340 0.001 0.000 0.299 100 R C -2.518 173.950 176.300 0.281 0.000 1.027 100 R CA -1.596 54.637 56.100 0.222 0.000 0.958 100 R CB 1.658 32.124 30.300 0.276 0.000 1.047 100 R HN 0.241 nan 8.270 nan 0.000 0.468 101 P HA 0.227 nan 4.420 nan 0.000 0.278 101 P C -1.003 176.441 177.300 0.241 0.000 1.238 101 P CA -0.315 63.018 63.100 0.388 0.000 0.794 101 P CB 1.249 33.147 31.700 0.330 0.000 0.955 102 K N 1.074 121.563 120.400 0.149 0.000 2.469 102 K HA 0.482 4.803 4.320 0.001 0.000 0.254 102 K C -0.987 175.628 176.600 0.025 0.000 0.939 102 K CA -1.105 55.175 56.287 -0.012 0.000 0.812 102 K CB 2.444 34.805 32.500 -0.232 0.000 1.301 102 K HN 0.137 nan 8.250 nan 0.000 0.433 103 V N 2.158 122.064 119.914 -0.012 0.000 2.465 103 V HA 0.218 4.338 4.120 0.001 0.000 0.279 103 V C -0.190 175.889 176.094 -0.025 0.000 1.045 103 V CA -0.546 61.754 62.300 -0.001 0.000 0.938 103 V CB 1.242 32.981 31.823 -0.141 0.000 0.986 103 V HN 0.687 nan 8.190 nan 0.000 0.467 104 Q N 3.575 123.382 119.800 0.011 0.000 2.333 104 Q HA 0.695 5.036 4.340 0.001 0.000 0.265 104 Q C -1.010 174.986 176.000 -0.007 0.000 0.989 104 Q CA -0.454 55.325 55.803 -0.041 0.000 0.842 104 Q CB 1.954 30.673 28.738 -0.031 0.000 1.262 104 Q HN 0.802 nan 8.270 nan 0.000 0.451 105 V N 0.133 120.006 119.914 -0.068 0.000 3.141 105 V HA 0.614 4.734 4.120 0.001 0.000 0.312 105 V C -1.047 175.033 176.094 -0.023 0.000 1.157 105 V CA -1.025 61.263 62.300 -0.021 0.000 1.041 105 V CB 1.991 33.777 31.823 -0.062 0.000 1.071 105 V HN 0.847 nan 8.190 nan 0.000 0.441 106 E N 1.194 121.432 120.200 0.063 0.000 2.092 106 E HA 0.369 4.720 4.350 0.001 0.000 0.271 106 E C -2.159 174.560 176.600 0.198 0.000 0.919 106 E CA -0.639 55.812 56.400 0.085 0.000 0.760 106 E CB 1.304 31.052 29.700 0.080 0.000 1.106 106 E HN 0.765 nan 8.360 nan 0.000 0.408 107 Y N 4.504 124.818 120.300 0.023 0.000 2.328 107 Y HA 0.236 4.786 4.550 0.000 0.000 0.336 107 Y C -0.378 175.567 175.900 0.074 0.000 0.960 107 Y CA -1.324 56.838 58.100 0.103 0.000 1.134 107 Y CB 0.734 39.260 38.460 0.111 0.000 1.166 107 Y HN 0.652 nan 8.280 nan 0.000 0.464 108 K N 4.809 125.111 120.400 -0.164 0.000 3.148 108 K HA -0.226 4.094 4.320 0.001 0.000 0.267 108 K C 0.951 177.482 176.600 -0.115 0.000 0.996 108 K CA 0.877 57.013 56.287 -0.252 0.000 0.737 108 K CB -1.607 30.576 32.500 -0.529 0.000 1.308 108 K HN 1.316 nan 8.250 nan 0.000 0.470 109 G N -0.558 108.224 108.800 -0.030 0.000 2.220 109 G HA2 -0.355 3.605 3.960 0.001 0.000 0.269 109 G HA3 -0.355 3.605 3.960 0.001 0.000 0.269 109 G C -0.014 174.875 174.900 -0.019 0.000 0.977 109 G CA 0.776 45.867 45.100 -0.015 0.000 0.634 109 G HN 0.407 nan 8.290 nan 0.000 0.539 110 E N 0.904 121.086 120.200 -0.031 0.000 2.204 110 E HA 0.518 4.868 4.350 0.001 0.000 0.276 110 E C -0.108 176.481 176.600 -0.017 0.000 0.974 110 E CA -0.154 56.228 56.400 -0.031 0.000 0.815 110 E CB 1.053 30.725 29.700 -0.048 0.000 1.119 110 E HN 0.126 nan 8.360 nan 0.000 0.393 111 T N 4.021 118.552 114.554 -0.038 0.000 2.794 111 T HA 0.351 4.702 4.350 0.001 0.000 0.296 111 T C -0.073 174.556 174.700 -0.118 0.000 0.949 111 T CA -0.167 61.897 62.100 -0.059 0.000 1.101 111 T CB 0.572 69.407 68.868 -0.057 0.000 0.905 111 T HN 0.184 nan 8.240 nan 0.000 0.516 112 K N 1.552 121.844 120.400 -0.181 0.000 2.477 112 K HA 0.672 4.992 4.320 0.001 0.000 0.255 112 K C -0.737 175.567 176.600 -0.493 0.000 0.952 112 K CA -0.946 55.123 56.287 -0.364 0.000 0.826 112 K CB 2.119 34.361 32.500 -0.430 0.000 1.331 112 K HN 0.645 nan 8.250 nan 0.000 0.437 113 S N 0.901 116.199 115.700 -0.669 0.000 2.548 113 S HA 0.762 5.233 4.470 0.001 0.000 0.286 113 S C -1.119 172.971 174.600 -0.850 0.000 1.098 113 S CA -0.767 57.090 58.200 -0.572 0.000 0.930 113 S CB 0.664 63.638 63.200 -0.376 0.000 1.070 113 S HN 0.388 nan 8.310 nan 0.000 0.480 114 F N 0.608 120.383 119.950 -0.291 0.000 2.576 114 F HA 0.542 5.068 4.527 -0.001 0.000 0.313 114 F C -0.641 175.020 175.800 -0.232 0.000 1.078 114 F CA -1.015 56.838 58.000 -0.245 0.000 0.921 114 F CB 1.213 40.107 39.000 -0.176 0.000 1.232 114 F HN 0.570 nan 8.300 nan 0.000 0.459 115 Y N 3.156 123.534 120.300 0.130 0.000 2.304 115 Y HA 0.201 4.752 4.550 0.002 0.000 0.327 115 Y C -1.255 174.675 175.900 0.049 0.000 1.209 115 Y CA -1.778 56.361 58.100 0.065 0.000 1.299 115 Y CB 0.333 38.820 38.460 0.045 0.000 1.249 115 Y HN 0.326 nan 8.280 nan 0.000 0.519 116 P HA -0.257 nan 4.420 nan 0.000 0.217 116 P C 0.783 178.116 177.300 0.054 0.000 1.148 116 P CA 2.032 65.170 63.100 0.064 0.000 0.834 116 P CB 0.252 31.982 31.700 0.051 0.000 0.783 117 E N 0.837 121.091 120.200 0.090 0.000 2.204 117 E HA -0.178 4.172 4.350 0.001 0.000 0.194 117 E C 1.666 178.299 176.600 0.056 0.000 0.989 117 E CA 1.004 57.438 56.400 0.057 0.000 0.824 117 E CB -0.773 28.951 29.700 0.040 0.000 0.756 117 E HN 0.406 nan 8.360 nan 0.000 0.477 118 E N 0.989 121.251 120.200 0.102 0.000 2.107 118 E HA -0.067 4.283 4.350 0.001 0.000 0.191 118 E C 2.338 178.919 176.600 -0.030 0.000 0.982 118 E CA 1.032 57.482 56.400 0.083 0.000 0.809 118 E CB 0.081 29.909 29.700 0.214 0.000 0.756 118 E HN 0.086 nan 8.360 nan 0.000 0.459 119 V N 1.135 121.011 119.914 -0.063 0.000 2.307 119 V HA -0.233 3.888 4.120 0.001 0.000 0.245 119 V C 2.262 178.287 176.094 -0.114 0.000 1.045 119 V CA 1.853 64.062 62.300 -0.152 0.000 1.024 119 V CB -0.439 31.276 31.823 -0.180 0.000 0.651 119 V HN 0.184 nan 8.190 nan 0.000 0.449 120 S N 0.833 116.493 115.700 -0.066 0.000 2.399 120 S HA -0.193 4.278 4.470 0.001 0.000 0.231 120 S C 2.227 176.804 174.600 -0.037 0.000 1.022 120 S CA 1.622 59.797 58.200 -0.043 0.000 0.983 120 S CB -0.395 62.800 63.200 -0.007 0.000 0.803 120 S HN 0.830 nan 8.310 nan 0.000 0.480 121 S N 1.713 117.395 115.700 -0.030 0.000 2.399 121 S HA -0.053 4.418 4.470 0.001 0.000 0.231 121 S C 1.829 176.402 174.600 -0.045 0.000 1.022 121 S CA 0.957 59.143 58.200 -0.024 0.000 0.983 121 S CB -0.514 62.683 63.200 -0.005 0.000 0.803 121 S HN 0.418 nan 8.310 nan 0.000 0.480 122 M N 0.999 120.552 119.600 -0.079 0.000 2.086 122 M HA -0.048 4.432 4.480 0.001 0.000 0.261 122 M C 2.281 178.527 176.300 -0.089 0.000 1.067 122 M CA 1.470 56.706 55.300 -0.106 0.000 1.116 122 M CB -0.638 31.854 32.600 -0.179 0.000 1.348 122 M HN 0.245 nan 8.290 nan 0.000 0.407 123 V N 0.198 120.063 119.914 -0.082 0.000 2.343 123 V HA -0.237 3.884 4.120 0.001 0.000 0.247 123 V C 2.293 178.365 176.094 -0.037 0.000 1.051 123 V CA 1.259 63.525 62.300 -0.058 0.000 1.036 123 V CB -0.645 31.150 31.823 -0.047 0.000 0.654 123 V HN 0.345 nan 8.190 nan 0.000 0.451 124 L N 0.077 121.281 121.223 -0.032 0.000 2.083 124 L HA -0.138 4.203 4.340 0.001 0.000 0.209 124 L C 2.562 179.420 176.870 -0.021 0.000 1.083 124 L CA 2.135 56.963 54.840 -0.021 0.000 0.752 124 L CB -1.469 40.580 42.059 -0.016 0.000 0.899 124 L HN 0.346 nan 8.230 nan 0.000 0.433 125 T N -1.310 113.227 114.554 -0.027 0.000 2.821 125 T HA -0.198 4.153 4.350 0.001 0.000 0.267 125 T C 1.968 176.654 174.700 -0.023 0.000 1.046 125 T CA 1.342 63.427 62.100 -0.024 0.000 1.139 125 T CB 0.013 68.863 68.868 -0.030 0.000 0.871 125 T HN 0.067 nan 8.240 nan 0.000 0.454 126 K N 1.001 121.382 120.400 -0.031 0.000 2.057 126 K HA 0.027 4.348 4.320 0.001 0.000 0.207 126 K C 2.128 178.719 176.600 -0.015 0.000 1.049 126 K CA 1.225 57.496 56.287 -0.027 0.000 0.931 126 K CB -0.299 32.180 32.500 -0.035 0.000 0.714 126 K HN 0.130 nan 8.250 nan 0.000 0.440 127 M N 0.868 120.459 119.600 -0.014 0.000 2.117 127 M HA -0.106 4.374 4.480 0.001 0.000 0.262 127 M C 2.072 178.367 176.300 -0.007 0.000 1.065 127 M CA 1.589 56.883 55.300 -0.010 0.000 1.114 127 M CB -0.942 31.652 32.600 -0.011 0.000 1.361 127 M HN 0.190 nan 8.290 nan 0.000 0.408 128 K N 1.124 121.520 120.400 -0.007 0.000 2.032 128 K HA -0.206 4.114 4.320 0.001 0.000 0.209 128 K C 1.798 178.401 176.600 0.006 0.000 1.048 128 K CA 1.939 58.226 56.287 -0.001 0.000 0.927 128 K CB -0.072 32.426 32.500 -0.003 0.000 0.712 128 K HN 0.562 nan 8.250 nan 0.000 0.441 129 E N 0.139 120.341 120.200 0.003 0.000 2.274 129 E HA -0.142 4.208 4.350 0.001 0.000 0.194 129 E C 2.020 178.632 176.600 0.019 0.000 0.996 129 E CA 0.748 57.154 56.400 0.009 0.000 0.840 129 E CB -0.231 29.471 29.700 0.003 0.000 0.772 129 E HN 0.362 nan 8.360 nan 0.000 0.491 130 I N 1.732 122.311 120.570 0.015 0.000 2.233 130 I HA -0.207 3.963 4.170 0.001 0.000 0.243 130 I C 2.681 178.827 176.117 0.048 0.000 1.093 130 I CA 1.053 62.368 61.300 0.024 0.000 1.380 130 I CB -0.253 37.749 38.000 0.005 0.000 1.067 130 I HN 0.209 nan 8.210 nan 0.000 0.413 131 A N 0.449 123.288 122.820 0.031 0.000 1.877 131 A HA -0.236 4.084 4.320 0.001 0.000 0.216 131 A C 2.196 179.838 177.584 0.097 0.000 1.186 131 A CA 1.734 53.802 52.037 0.052 0.000 0.620 131 A CB -0.652 18.359 19.000 0.019 0.000 0.822 131 A HN 0.426 nan 8.150 nan 0.000 0.443 132 E N -0.290 119.944 120.200 0.057 0.000 2.118 132 E HA -0.145 4.205 4.350 0.001 0.000 0.195 132 E C 2.319 178.949 176.600 0.049 0.000 0.992 132 E CA 0.933 57.360 56.400 0.045 0.000 0.804 132 E CB -0.302 29.412 29.700 0.024 0.000 0.741 132 E HN 0.629 nan 8.360 nan 0.000 0.458 133 A N 0.879 123.735 122.820 0.059 0.000 1.877 133 A HA -0.228 4.092 4.320 0.001 0.000 0.216 133 A C 2.044 179.667 177.584 0.065 0.000 1.186 133 A CA 1.513 53.580 52.037 0.051 0.000 0.620 133 A CB -0.833 18.200 19.000 0.055 0.000 0.822 133 A HN 0.395 nan 8.150 nan 0.000 0.443 134 Y N 0.489 120.780 120.300 -0.014 0.000 2.089 134 Y HA -0.149 4.401 4.550 -0.000 0.000 0.282 134 Y C 2.029 177.917 175.900 -0.019 0.000 1.139 134 Y CA 2.022 60.112 58.100 -0.017 0.000 1.123 134 Y CB -0.328 38.121 38.460 -0.020 0.000 0.980 134 Y HN 0.191 nan 8.280 nan 0.000 0.493 135 L N -0.338 120.943 121.223 0.096 0.000 2.201 135 L HA -0.043 4.297 4.340 0.001 0.000 0.212 135 L C 1.777 178.610 176.870 -0.061 0.000 1.105 135 L CA 1.061 55.901 54.840 0.001 0.000 0.775 135 L CB -1.126 40.978 42.059 0.075 0.000 0.913 135 L HN 0.610 nan 8.230 nan 0.000 0.440 136 G N 0.959 109.736 108.800 -0.039 0.000 2.221 136 G HA2 -0.304 3.656 3.960 0.001 0.000 0.265 136 G HA3 -0.304 3.656 3.960 0.001 0.000 0.265 136 G C -0.075 174.811 174.900 -0.023 0.000 1.041 136 G CA 0.831 45.907 45.100 -0.041 0.000 0.807 136 G HN 0.389 nan 8.290 nan 0.000 0.502 137 K N -0.748 119.647 120.400 -0.008 0.000 2.579 137 K HA 0.676 4.997 4.320 0.001 0.000 0.284 137 K C 0.169 176.772 176.600 0.004 0.000 0.990 137 K CA -0.034 56.251 56.287 -0.004 0.000 0.880 137 K CB 0.388 32.884 32.500 -0.007 0.000 1.488 137 K HN 0.171 nan 8.250 nan 0.000 0.425 138 T N 0.886 115.442 114.554 0.003 0.000 2.870 138 T HA 0.347 4.698 4.350 0.001 0.000 0.300 138 T C -0.224 174.480 174.700 0.007 0.000 0.989 138 T CA -0.620 61.483 62.100 0.005 0.000 1.139 138 T CB 0.626 69.496 68.868 0.003 0.000 0.920 138 T HN 0.237 nan 8.240 nan 0.000 0.537 139 V N 3.844 123.763 119.914 0.008 0.000 2.394 139 V HA 0.336 4.456 4.120 0.001 0.000 0.282 139 V C 0.706 176.803 176.094 0.004 0.000 1.031 139 V CA -0.269 62.036 62.300 0.008 0.000 0.881 139 V CB 1.392 33.222 31.823 0.010 0.000 0.982 139 V HN 1.119 nan 8.190 nan 0.000 0.451 140 T N 2.609 117.165 114.554 0.003 0.000 3.221 140 T HA 0.152 4.502 4.350 0.001 0.000 0.250 140 T C 0.681 175.381 174.700 -0.000 0.000 0.988 140 T CA -0.129 61.971 62.100 0.001 0.000 1.163 140 T CB 0.178 69.047 68.868 0.002 0.000 1.098 140 T HN 0.542 nan 8.240 nan 0.000 0.422 141 N N 2.124 120.823 118.700 -0.001 0.000 2.530 141 N HA 0.629 5.369 4.740 0.001 0.000 0.273 141 N C -0.608 174.899 175.510 -0.006 0.000 1.173 141 N CA -0.003 53.045 53.050 -0.003 0.000 0.967 141 N CB 1.134 39.619 38.487 -0.003 0.000 1.109 141 N HN 0.521 nan 8.380 nan 0.000 0.453 142 A N 0.693 123.508 122.820 -0.009 0.000 2.612 142 A HA 0.592 4.913 4.320 0.001 0.000 0.293 142 A C -1.359 176.214 177.584 -0.019 0.000 1.075 142 A CA -0.632 51.397 52.037 -0.013 0.000 0.680 142 A CB 1.179 20.172 19.000 -0.012 0.000 1.279 142 A HN 0.307 nan 8.150 nan 0.000 0.411 143 V N 1.390 121.289 119.914 -0.025 0.000 2.409 143 V HA 0.535 4.655 4.120 0.001 0.000 0.291 143 V C -0.433 175.640 176.094 -0.035 0.000 1.020 143 V CA -0.467 61.813 62.300 -0.032 0.000 0.848 143 V CB 1.363 33.162 31.823 -0.040 0.000 0.990 143 V HN 0.724 nan 8.190 nan 0.000 0.430 144 V N 4.009 123.901 119.914 -0.036 0.000 2.547 144 V HA 0.623 4.743 4.120 0.001 0.000 0.299 144 V C 0.456 176.513 176.094 -0.061 0.000 1.040 144 V CA -0.502 61.774 62.300 -0.041 0.000 0.913 144 V CB 2.256 34.062 31.823 -0.028 0.000 0.992 144 V HN 0.977 nan 8.190 nan 0.000 0.449 145 T N 1.207 115.714 114.554 -0.078 0.000 2.943 145 T HA 0.817 5.167 4.350 0.001 0.000 0.284 145 T C -0.636 173.959 174.700 -0.174 0.000 1.015 145 T CA -0.745 61.285 62.100 -0.117 0.000 1.042 145 T CB 1.970 70.771 68.868 -0.112 0.000 1.055 145 T HN 0.502 nan 8.240 nan 0.000 0.500 146 V N 2.052 121.814 119.914 -0.253 0.000 3.087 146 V HA 0.533 4.653 4.120 0.001 0.000 0.306 146 V C -2.646 173.100 176.094 -0.579 0.000 1.187 146 V CA -2.488 59.537 62.300 -0.458 0.000 0.999 146 V CB 2.747 34.372 31.823 -0.331 0.000 1.049 146 V HN 0.802 nan 8.190 nan 0.000 0.431 147 P HA 0.147 nan 4.420 nan 0.000 0.269 147 P C 0.206 177.096 177.300 -0.684 0.000 1.217 147 P CA 0.494 63.046 63.100 -0.913 0.000 0.783 147 P CB 0.672 31.416 31.700 -1.593 0.000 0.898 148 A N 2.247 124.797 122.820 -0.450 0.000 2.015 148 A HA -0.192 4.128 4.320 0.001 0.000 0.219 148 A C 1.522 179.050 177.584 -0.094 0.000 1.163 148 A CA 1.554 53.475 52.037 -0.195 0.000 0.646 148 A CB -1.614 17.349 19.000 -0.062 0.000 0.806 148 A HN 0.750 nan 8.150 nan 0.000 0.448 149 Y N -3.739 116.598 120.300 0.063 0.000 2.529 149 Y HA 0.455 5.006 4.550 0.001 0.000 0.290 149 Y C 0.144 176.197 175.900 0.255 0.000 1.177 149 Y CA -1.692 56.484 58.100 0.127 0.000 1.305 149 Y CB -0.780 37.743 38.460 0.105 0.000 1.047 149 Y HN 0.066 nan 8.280 nan 0.000 0.522 150 F N 4.059 123.903 119.950 -0.176 0.000 2.538 150 F HA 0.115 4.641 4.527 -0.001 0.000 0.371 150 F C 0.711 176.510 175.800 -0.003 0.000 1.087 150 F CA -1.265 56.699 58.000 -0.058 0.000 1.250 150 F CB 0.003 38.928 39.000 -0.125 0.000 1.110 150 F HN 0.292 nan 8.300 nan 0.000 0.570 151 N N 1.381 120.135 118.700 0.091 0.000 2.418 151 N HA 0.097 4.837 4.740 0.001 0.000 0.283 151 N C 0.570 176.097 175.510 0.029 0.000 1.267 151 N CA -0.388 52.691 53.050 0.048 0.000 0.975 151 N CB 0.247 38.742 38.487 0.014 0.000 1.167 151 N HN 0.407 nan 8.380 nan 0.000 0.581 152 D N -0.538 119.873 120.400 0.018 0.000 2.123 152 D HA -0.133 4.507 4.640 0.001 0.000 0.196 152 D C 1.516 177.814 176.300 -0.003 0.000 0.992 152 D CA 1.494 55.501 54.000 0.012 0.000 0.833 152 D CB -0.316 40.489 40.800 0.008 0.000 0.954 152 D HN 0.553 nan 8.370 nan 0.000 0.455 153 S N 0.800 116.485 115.700 -0.025 0.000 2.368 153 S HA -0.153 4.317 4.470 0.001 0.000 0.224 153 S C 2.001 176.564 174.600 -0.061 0.000 1.029 153 S CA 0.851 59.027 58.200 -0.041 0.000 0.988 153 S CB -0.180 62.991 63.200 -0.049 0.000 0.838 153 S HN 0.356 nan 8.310 nan 0.000 0.462 154 Q N 0.658 120.387 119.800 -0.118 0.000 2.119 154 Q HA -0.020 4.320 4.340 0.001 0.000 0.201 154 Q C 2.403 178.423 176.000 0.034 0.000 0.972 154 Q CA 1.006 56.684 55.803 -0.207 0.000 0.847 154 Q CB -0.154 28.160 28.738 -0.707 0.000 0.903 154 Q HN 0.451 nan 8.270 nan 0.000 0.433 155 R N 0.205 120.757 120.500 0.088 0.000 2.092 155 R HA -0.094 4.246 4.340 0.001 0.000 0.231 155 R C 2.373 178.708 176.300 0.058 0.000 1.119 155 R CA 0.856 57.026 56.100 0.116 0.000 0.970 155 R CB -0.093 30.259 30.300 0.086 0.000 0.864 155 R HN 0.273 nan 8.270 nan 0.000 0.440 156 Q N 0.478 120.293 119.800 0.025 0.000 2.002 156 Q HA -0.146 4.194 4.340 0.001 0.000 0.204 156 Q C 2.238 178.241 176.000 0.006 0.000 0.988 156 Q CA 1.954 57.762 55.803 0.007 0.000 0.843 156 Q CB -0.249 28.484 28.738 -0.009 0.000 0.908 156 Q HN 0.342 nan 8.270 nan 0.000 0.420 157 A N 0.119 122.940 122.820 0.001 0.000 1.948 157 A HA -0.191 4.129 4.320 0.001 0.000 0.220 157 A C 2.284 179.886 177.584 0.029 0.000 1.177 157 A CA 2.163 54.201 52.037 0.002 0.000 0.636 157 A CB -0.861 18.134 19.000 -0.009 0.000 0.815 157 A HN 0.429 nan 8.150 nan 0.000 0.449 158 T N -0.665 113.926 114.554 0.062 0.000 2.821 158 T HA -0.111 4.239 4.350 0.001 0.000 0.267 158 T C 1.972 176.694 174.700 0.036 0.000 1.046 158 T CA 1.541 63.684 62.100 0.072 0.000 1.139 158 T CB -0.135 68.805 68.868 0.119 0.000 0.871 158 T HN 0.600 nan 8.240 nan 0.000 0.454 159 K N 0.762 121.178 120.400 0.028 0.000 2.057 159 K HA -0.155 4.166 4.320 0.001 0.000 0.206 159 K C 1.708 178.313 176.600 0.008 0.000 1.050 159 K CA 1.523 57.818 56.287 0.013 0.000 0.935 159 K CB -0.084 32.422 32.500 0.009 0.000 0.715 159 K HN 0.170 nan 8.250 nan 0.000 0.439 160 D N 0.541 120.944 120.400 0.006 0.000 2.117 160 D HA -0.125 4.516 4.640 0.001 0.000 0.197 160 D C 1.787 178.091 176.300 0.007 0.000 0.987 160 D CA 1.295 55.295 54.000 0.001 0.000 0.829 160 D CB -0.250 40.544 40.800 -0.011 0.000 0.961 160 D HN 0.332 nan 8.370 nan 0.000 0.460 161 A N 0.795 123.622 122.820 0.013 0.000 1.986 161 A HA -0.090 4.230 4.320 0.001 0.000 0.220 161 A C 2.329 179.918 177.584 0.008 0.000 1.171 161 A CA 2.193 54.238 52.037 0.014 0.000 0.640 161 A CB -0.998 18.013 19.000 0.018 0.000 0.811 161 A HN 0.321 nan 8.150 nan 0.000 0.451 162 G N -0.574 108.230 108.800 0.006 0.000 2.394 162 G HA2 -0.142 3.819 3.960 0.001 0.000 0.214 162 G HA3 -0.142 3.819 3.960 0.001 0.000 0.214 162 G C 1.779 176.680 174.900 0.003 0.000 1.176 162 G CA 1.964 47.065 45.100 0.002 0.000 0.786 162 G HN 0.671 nan 8.290 nan 0.000 0.533 163 T N 0.643 115.199 114.554 0.004 0.000 2.746 163 T HA -0.167 4.183 4.350 0.001 0.000 0.267 163 T C 2.499 177.203 174.700 0.007 0.000 1.039 163 T CA 1.413 63.515 62.100 0.004 0.000 1.142 163 T CB -0.443 68.427 68.868 0.003 0.000 0.866 163 T HN 0.555 nan 8.240 nan 0.000 0.444 164 I N -0.213 120.363 120.570 0.011 0.000 3.001 164 I HA 0.302 4.472 4.170 0.001 0.000 0.268 164 I C 2.285 178.410 176.117 0.014 0.000 1.267 164 I CA 0.961 62.271 61.300 0.017 0.000 1.472 164 I CB -0.500 37.517 38.000 0.028 0.000 1.089 164 I HN 0.267 nan 8.210 nan 0.000 0.468 165 A N 1.266 124.090 122.820 0.007 0.000 2.275 165 A HA 0.445 4.765 4.320 0.001 0.000 0.212 165 A C 1.769 179.354 177.584 0.002 0.000 1.201 165 A CA 0.480 52.517 52.037 0.001 0.000 0.843 165 A CB -0.723 18.274 19.000 -0.005 0.000 0.873 165 A HN 0.872 nan 8.150 nan 0.000 0.492 166 G N -1.392 107.410 108.800 0.005 0.000 2.160 166 G HA2 -0.149 3.811 3.960 0.001 0.000 0.244 166 G HA3 -0.149 3.811 3.960 0.001 0.000 0.244 166 G C -0.320 174.581 174.900 0.002 0.000 1.022 166 G CA 0.276 45.378 45.100 0.005 0.000 0.741 166 G HN 0.388 nan 8.290 nan 0.000 0.508 167 L N 0.545 121.769 121.223 0.001 0.000 2.322 167 L HA 0.605 4.946 4.340 0.001 0.000 0.281 167 L C 0.118 176.988 176.870 -0.001 0.000 1.014 167 L CA -1.662 53.178 54.840 -0.001 0.000 0.815 167 L CB 1.688 43.746 42.059 -0.003 0.000 1.247 167 L HN 0.238 nan 8.230 nan 0.000 0.421 168 N N 2.911 121.610 118.700 -0.002 0.000 2.521 168 N HA 0.140 4.880 4.740 0.001 0.000 0.236 168 N C -0.979 174.528 175.510 -0.005 0.000 1.067 168 N CA -0.321 52.727 53.050 -0.002 0.000 0.939 168 N CB 0.526 39.012 38.487 -0.002 0.000 1.201 168 N HN 0.288 nan 8.380 nan 0.000 0.511 169 V N 5.291 125.202 119.914 -0.005 0.000 2.400 169 V HA -0.031 4.089 4.120 0.001 0.000 0.263 169 V C 1.604 177.693 176.094 -0.009 0.000 1.026 169 V CA -0.262 62.033 62.300 -0.008 0.000 1.077 169 V CB -0.028 31.791 31.823 -0.006 0.000 1.054 169 V HN 0.608 nan 8.190 nan 0.000 0.477 170 L N 3.973 125.189 121.223 -0.012 0.000 2.083 170 L HA 0.065 4.406 4.340 0.001 0.000 0.209 170 L C 1.212 178.073 176.870 -0.015 0.000 1.083 170 L CA 1.521 56.353 54.840 -0.013 0.000 0.752 170 L CB -0.692 41.358 42.059 -0.015 0.000 0.899 170 L HN 0.765 nan 8.230 nan 0.000 0.433 171 R N -1.587 118.902 120.500 -0.019 0.000 2.728 171 R HA 0.308 4.649 4.340 0.001 0.000 0.259 171 R C -1.833 174.449 176.300 -0.029 0.000 1.057 171 R CA -0.584 55.503 56.100 -0.022 0.000 0.908 171 R CB 0.865 31.149 30.300 -0.026 0.000 1.259 171 R HN -0.219 nan 8.270 nan 0.000 0.472 172 I N 6.150 126.703 120.570 -0.028 0.000 2.328 172 I HA 0.353 4.524 4.170 0.001 0.000 0.287 172 I C 0.282 176.366 176.117 -0.055 0.000 1.012 172 I CA -0.475 60.803 61.300 -0.037 0.000 1.195 172 I CB 0.821 38.810 38.000 -0.019 0.000 1.350 172 I HN 0.535 nan 8.210 nan 0.000 0.464 173 I N 3.934 124.456 120.570 -0.080 0.000 2.693 173 I HA 0.587 4.758 4.170 0.001 0.000 0.303 173 I C -0.045 175.988 176.117 -0.139 0.000 1.025 173 I CA -0.887 60.349 61.300 -0.107 0.000 1.086 173 I CB 1.728 39.656 38.000 -0.119 0.000 1.268 173 I HN 0.253 nan 8.210 nan 0.000 0.440 174 N N 3.677 122.281 118.700 -0.160 0.000 2.479 174 N HA 0.078 4.819 4.740 0.001 0.000 0.257 174 N C 0.498 175.895 175.510 -0.187 0.000 1.232 174 N CA -0.105 52.834 53.050 -0.185 0.000 0.920 174 N CB 1.102 39.489 38.487 -0.166 0.000 1.105 174 N HN 0.722 nan 8.380 nan 0.000 0.444 175 Q N 1.540 121.224 119.800 -0.193 0.000 2.061 175 Q HA -0.119 4.221 4.340 0.001 0.000 0.204 175 Q C -0.703 175.230 176.000 -0.112 0.000 0.984 175 Q CA 1.486 57.200 55.803 -0.147 0.000 0.846 175 Q CB -0.674 27.973 28.738 -0.151 0.000 0.902 175 Q HN 0.606 nan 8.270 nan 0.000 0.421 176 P HA -0.148 nan 4.420 nan 0.000 0.215 176 P C 1.002 178.234 177.300 -0.113 0.000 1.153 176 P CA 1.484 64.546 63.100 -0.063 0.000 0.853 176 P CB -0.092 31.584 31.700 -0.039 0.000 0.788 177 T N 0.206 114.611 114.554 -0.248 0.000 2.788 177 T HA -0.069 4.281 4.350 0.001 0.000 0.268 177 T C 2.090 176.568 174.700 -0.369 0.000 1.044 177 T CA 1.673 63.445 62.100 -0.546 0.000 1.139 177 T CB -0.769 67.672 68.868 -0.711 0.000 0.867 177 T HN 0.103 nan 8.240 nan 0.000 0.454 178 A N 1.431 124.124 122.820 -0.212 0.000 1.902 178 A HA 0.178 4.498 4.320 0.001 0.000 0.217 178 A C 2.647 180.204 177.584 -0.045 0.000 1.181 178 A CA 1.758 53.726 52.037 -0.116 0.000 0.623 178 A CB -1.074 17.874 19.000 -0.088 0.000 0.818 178 A HN 0.500 nan 8.150 nan 0.000 0.443 179 A N -0.113 122.693 122.820 -0.022 0.000 1.902 179 A HA 0.154 4.475 4.320 0.001 0.000 0.217 179 A C 2.499 180.157 177.584 0.123 0.000 1.181 179 A CA 2.101 54.167 52.037 0.047 0.000 0.623 179 A CB -0.987 18.059 19.000 0.076 0.000 0.818 179 A HN 1.037 nan 8.150 nan 0.000 0.443 180 A N -0.045 122.846 122.820 0.119 0.000 1.902 180 A HA -0.067 4.253 4.320 0.001 0.000 0.217 180 A C 2.088 179.805 177.584 0.222 0.000 1.181 180 A CA 1.489 53.660 52.037 0.224 0.000 0.623 180 A CB -0.609 18.602 19.000 0.352 0.000 0.818 180 A HN 0.495 nan 8.150 nan 0.000 0.443 181 I N -0.172 120.486 120.570 0.146 0.000 2.361 181 I HA -0.268 3.902 4.170 0.001 0.000 0.251 181 I C 2.874 179.044 176.117 0.088 0.000 1.133 181 I CA 0.866 62.245 61.300 0.131 0.000 1.413 181 I CB -0.285 37.750 38.000 0.058 0.000 1.073 181 I HN 0.367 nan 8.210 nan 0.000 0.424 182 A N 0.129 122.964 122.820 0.025 0.000 1.933 182 A HA -0.211 4.109 4.320 0.001 0.000 0.218 182 A C 1.878 179.278 177.584 -0.307 0.000 1.175 182 A CA 1.528 53.482 52.037 -0.138 0.000 0.628 182 A CB -0.750 18.037 19.000 -0.354 0.000 0.814 182 A HN 0.450 nan 8.150 nan 0.000 0.444 183 Y N -0.699 119.569 120.300 -0.053 0.000 2.466 183 Y HA 0.335 4.885 4.550 0.001 0.000 0.272 183 Y C 1.809 177.714 175.900 0.009 0.000 1.169 183 Y CA 0.070 58.142 58.100 -0.046 0.000 1.285 183 Y CB -0.133 38.303 38.460 -0.039 0.000 1.078 183 Y HN 0.446 nan 8.280 nan 0.000 0.523 184 G N 0.438 109.328 108.800 0.150 0.000 2.160 184 G HA2 -0.305 3.655 3.960 0.001 0.000 0.251 184 G HA3 -0.305 3.655 3.960 0.001 0.000 0.251 184 G C 0.787 175.755 174.900 0.114 0.000 1.008 184 G CA 0.514 45.687 45.100 0.121 0.000 0.724 184 G HN 0.454 nan 8.290 nan 0.000 0.514 185 L N 0.673 121.985 121.223 0.147 0.000 2.650 185 L HA 0.122 4.463 4.340 0.001 0.000 0.235 185 L C 2.169 179.071 176.870 0.053 0.000 1.149 185 L CA 1.001 55.902 54.840 0.101 0.000 0.887 185 L CB -0.177 41.957 42.059 0.125 0.000 1.021 185 L HN 0.488 nan 8.230 nan 0.000 0.441 186 D N -0.567 119.887 120.400 0.089 0.000 2.354 186 D HA -0.057 4.583 4.640 0.001 0.000 0.209 186 D C 0.549 176.829 176.300 -0.033 0.000 1.015 186 D CA -0.096 53.910 54.000 0.009 0.000 0.867 186 D CB 0.165 41.100 40.800 0.225 0.000 0.933 186 D HN 0.177 nan 8.370 nan 0.000 0.520 187 K N 1.410 121.809 120.400 -0.002 0.000 2.448 187 K HA 0.097 4.417 4.320 0.001 0.000 0.278 187 K C 0.190 176.767 176.600 -0.039 0.000 1.009 187 K CA 0.054 56.335 56.287 -0.010 0.000 0.995 187 K CB 0.918 33.422 32.500 0.007 0.000 0.917 187 K HN 0.018 nan 8.250 nan 0.000 0.481 188 K N 1.910 122.288 120.400 -0.037 0.000 2.383 188 K HA 0.030 4.351 4.320 0.001 0.000 0.286 188 K C 0.640 177.216 176.600 -0.040 0.000 1.051 188 K CA -0.176 56.083 56.287 -0.047 0.000 0.974 188 K CB 0.540 33.018 32.500 -0.037 0.000 0.968 188 K HN 0.408 nan 8.250 nan 0.000 0.475 189 V N -0.477 119.406 119.914 -0.052 0.000 3.159 189 V HA 0.310 4.430 4.120 0.001 0.000 0.333 189 V C 0.608 176.671 176.094 -0.051 0.000 1.424 189 V CA -0.099 62.172 62.300 -0.049 0.000 1.125 189 V CB -0.078 31.709 31.823 -0.060 0.000 1.075 189 V HN 0.930 nan 8.190 nan 0.000 0.482 190 G N 0.471 109.243 108.800 -0.048 0.000 2.370 190 G HA2 0.300 4.261 3.960 0.001 0.000 0.293 190 G HA3 0.300 4.261 3.960 0.001 0.000 0.293 190 G C 0.149 175.020 174.900 -0.049 0.000 0.992 190 G CA 0.466 45.541 45.100 -0.042 0.000 1.247 190 G HN 2.380 nan 8.290 nan 0.000 0.505 191 A N -0.437 122.348 122.820 -0.058 0.000 2.549 191 A HA 0.670 4.990 4.320 0.001 0.000 0.297 191 A C -0.443 177.102 177.584 -0.065 0.000 0.983 191 A CA 0.069 52.069 52.037 -0.062 0.000 0.654 191 A CB 0.408 19.356 19.000 -0.086 0.000 1.319 191 A HN 0.854 nan 8.150 nan 0.000 0.428 192 E N 0.407 120.582 120.200 -0.041 0.000 2.259 192 E HA 0.445 4.795 4.350 0.001 0.000 0.281 192 E C -0.016 176.591 176.600 0.012 0.000 1.037 192 E CA -0.362 56.030 56.400 -0.013 0.000 0.854 192 E CB 0.629 30.341 29.700 0.020 0.000 1.051 192 E HN 0.539 nan 8.360 nan 0.000 0.409 193 R N 3.726 124.240 120.500 0.024 0.000 2.437 193 R HA 0.287 4.627 4.340 0.001 0.000 0.310 193 R C -1.203 175.221 176.300 0.206 0.000 0.955 193 R CA -0.499 55.688 56.100 0.144 0.000 0.851 193 R CB 0.848 31.152 30.300 0.007 0.000 1.161 193 R HN 0.456 nan 8.270 nan 0.000 0.446 194 N N 2.376 121.273 118.700 0.329 0.000 2.426 194 N HA 0.355 5.096 4.740 0.001 0.000 0.275 194 N C -1.433 174.101 175.510 0.040 0.000 1.019 194 N CA -0.634 52.455 53.050 0.065 0.000 0.941 194 N CB 2.326 40.758 38.487 -0.091 0.000 1.123 194 N HN 0.166 nan 8.380 nan 0.000 0.486 195 V N 2.615 122.557 119.914 0.047 0.000 2.656 195 V HA 0.391 4.511 4.120 0.001 0.000 0.307 195 V C -0.523 175.589 176.094 0.030 0.000 1.051 195 V CA -0.859 61.462 62.300 0.034 0.000 0.893 195 V CB 1.919 33.791 31.823 0.081 0.000 0.999 195 V HN 0.522 nan 8.190 nan 0.000 0.426 196 L N 5.541 126.757 121.223 -0.011 0.000 2.296 196 L HA 0.625 4.965 4.340 0.001 0.000 0.286 196 L C -0.957 175.944 176.870 0.052 0.000 1.023 196 L CA -0.385 54.468 54.840 0.023 0.000 0.812 196 L CB 0.969 43.023 42.059 -0.008 0.000 1.223 196 L HN 0.465 nan 8.230 nan 0.000 0.421 197 I N 5.479 126.103 120.570 0.090 0.000 2.312 197 I HA 0.204 4.374 4.170 0.001 0.000 0.290 197 I C -0.662 175.561 176.117 0.177 0.000 1.008 197 I CA -0.160 61.208 61.300 0.114 0.000 1.226 197 I CB 1.044 39.089 38.000 0.076 0.000 1.371 197 I HN 0.546 nan 8.210 nan 0.000 0.468 198 F N 6.269 126.258 119.950 0.066 0.000 2.308 198 F HA 0.338 4.865 4.527 0.001 0.000 0.370 198 F C -0.050 175.853 175.800 0.172 0.000 1.100 198 F CA -0.454 57.631 58.000 0.142 0.000 1.108 198 F CB 0.566 39.660 39.000 0.158 0.000 1.293 198 F HN 0.369 nan 8.300 nan 0.000 0.478 199 D N 6.711 127.124 120.400 0.022 0.000 2.472 199 D HA 0.205 4.846 4.640 0.001 0.000 0.234 199 D C -1.527 174.849 176.300 0.127 0.000 1.088 199 D CA -0.295 53.752 54.000 0.078 0.000 0.882 199 D CB 1.061 41.886 40.800 0.041 0.000 1.037 199 D HN 0.477 nan 8.370 nan 0.000 0.520 200 L N 4.493 125.806 121.223 0.149 0.000 2.313 200 L HA 0.672 5.012 4.340 0.001 0.000 0.273 200 L C 0.403 177.350 176.870 0.128 0.000 1.028 200 L CA -0.255 54.670 54.840 0.141 0.000 0.871 200 L CB 1.094 43.166 42.059 0.021 0.000 1.242 200 L HN 0.355 nan 8.230 nan 0.000 0.434 201 G N 2.194 111.062 108.800 0.113 0.000 2.773 201 G HA2 0.403 4.363 3.960 0.001 0.000 0.186 201 G HA3 0.403 4.363 3.960 0.001 0.000 0.186 201 G C 0.709 175.657 174.900 0.080 0.000 1.411 201 G CA -0.032 45.128 45.100 0.100 0.000 1.054 201 G HN 0.643 nan 8.290 nan 0.000 0.579 202 G N -1.192 107.678 108.800 0.117 0.000 2.430 202 G HA2 0.302 4.262 3.960 0.001 0.000 0.216 202 G HA3 0.302 4.262 3.960 0.001 0.000 0.216 202 G C 1.143 176.083 174.900 0.066 0.000 1.146 202 G CA 1.499 46.675 45.100 0.127 0.000 0.793 202 G HN 1.159 nan 8.290 nan 0.000 0.537 203 G N -1.017 107.827 108.800 0.073 0.000 3.314 203 G HA2 0.380 4.341 3.960 0.001 0.000 0.230 203 G HA3 0.380 4.341 3.960 0.001 0.000 0.230 203 G C 0.297 175.210 174.900 0.023 0.000 1.058 203 G CA 0.866 45.995 45.100 0.047 0.000 0.926 203 G HN 0.687 nan 8.290 nan 0.000 0.564 204 T N -1.972 112.615 114.554 0.055 0.000 2.906 204 T HA 0.706 5.056 4.350 0.001 0.000 0.295 204 T C -1.689 173.102 174.700 0.152 0.000 1.061 204 T CA -0.958 61.186 62.100 0.073 0.000 1.000 204 T CB 2.768 71.691 68.868 0.091 0.000 1.103 204 T HN 0.137 nan 8.240 nan 0.000 0.486 205 F N 1.652 121.570 119.950 -0.054 0.000 2.507 205 F HA 0.735 5.262 4.527 0.001 0.000 0.328 205 F C -1.341 174.403 175.800 -0.093 0.000 1.136 205 F CA -1.498 56.441 58.000 -0.101 0.000 0.930 205 F CB 1.648 40.584 39.000 -0.107 0.000 1.166 205 F HN 0.873 nan 8.300 nan 0.000 0.436 206 D N 4.375 124.543 120.400 -0.388 0.000 2.896 206 D HA 0.623 5.263 4.640 0.001 0.000 0.241 206 D C -1.880 174.123 176.300 -0.495 0.000 1.188 206 D CA -0.322 53.425 54.000 -0.422 0.000 0.879 206 D CB 2.340 43.112 40.800 -0.047 0.000 1.553 206 D HN 0.298 nan 8.370 nan 0.000 0.515 207 V N 2.881 122.517 119.914 -0.464 0.000 2.378 207 V HA 0.599 4.719 4.120 0.001 0.000 0.288 207 V C -0.402 175.640 176.094 -0.087 0.000 1.016 207 V CA -0.579 61.570 62.300 -0.252 0.000 0.840 207 V CB 1.455 33.131 31.823 -0.245 0.000 0.994 207 V HN 0.628 nan 8.190 nan 0.000 0.431 208 S N 5.577 121.271 115.700 -0.010 0.000 2.500 208 S HA 0.698 5.168 4.470 0.001 0.000 0.301 208 S C -0.522 174.110 174.600 0.054 0.000 1.092 208 S CA -0.491 57.724 58.200 0.024 0.000 1.030 208 S CB 1.772 64.986 63.200 0.024 0.000 1.031 208 S HN 0.548 nan 8.310 nan 0.000 0.483 209 I N 3.546 124.153 120.570 0.061 0.000 2.354 209 I HA 0.355 4.525 4.170 0.001 0.000 0.286 209 I C -0.887 175.279 176.117 0.080 0.000 1.007 209 I CA -0.413 60.929 61.300 0.070 0.000 1.167 209 I CB 0.834 38.876 38.000 0.070 0.000 1.320 209 I HN 0.326 nan 8.210 nan 0.000 0.458 210 L N 5.773 127.056 121.223 0.101 0.000 2.334 210 L HA 0.570 4.911 4.340 0.001 0.000 0.275 210 L C -0.125 176.810 176.870 0.108 0.000 1.036 210 L CA -0.482 54.444 54.840 0.143 0.000 0.807 210 L CB 1.904 44.111 42.059 0.248 0.000 1.231 210 L HN 0.459 nan 8.230 nan 0.000 0.438 211 T N 3.470 118.079 114.554 0.092 0.000 2.815 211 T HA 0.582 4.933 4.350 0.001 0.000 0.289 211 T C -0.268 174.417 174.700 -0.024 0.000 1.000 211 T CA -0.261 61.864 62.100 0.042 0.000 0.958 211 T CB 0.941 69.833 68.868 0.041 0.000 0.944 211 T HN 0.258 nan 8.240 nan 0.000 0.442 212 I N 3.095 123.605 120.570 -0.101 0.000 2.339 212 I HA 0.524 4.695 4.170 0.001 0.000 0.290 212 I C -0.006 176.006 176.117 -0.176 0.000 0.994 212 I CA -0.705 60.428 61.300 -0.279 0.000 1.191 212 I CB 1.516 39.237 38.000 -0.464 0.000 1.343 212 I HN 0.486 nan 8.210 nan 0.000 0.458 213 E N 5.513 125.618 120.200 -0.160 0.000 2.246 213 E HA 0.260 4.610 4.350 0.001 0.000 0.266 213 E C -0.611 175.929 176.600 -0.101 0.000 0.880 213 E CA -0.324 56.017 56.400 -0.099 0.000 0.762 213 E CB 0.966 30.634 29.700 -0.054 0.000 1.180 213 E HN 0.514 nan 8.360 nan 0.000 0.416 214 D N 3.689 124.038 120.400 -0.086 0.000 2.955 214 D HA -0.232 4.408 4.640 0.001 0.000 0.226 214 D C 0.644 176.897 176.300 -0.078 0.000 1.178 214 D CA 1.924 55.883 54.000 -0.067 0.000 0.808 214 D CB -1.105 39.671 40.800 -0.042 0.000 1.099 214 D HN 0.988 nan 8.370 nan 0.000 0.421 215 G N -1.154 107.564 108.800 -0.137 0.000 2.141 215 G HA2 -0.296 3.665 3.960 0.001 0.000 0.242 215 G HA3 -0.296 3.665 3.960 0.001 0.000 0.242 215 G C 0.081 174.899 174.900 -0.137 0.000 0.982 215 G CA 0.190 45.202 45.100 -0.147 0.000 0.662 215 G HN 0.404 nan 8.290 nan 0.000 0.527 216 I N 0.994 121.473 120.570 -0.152 0.000 2.339 216 I HA 0.624 4.794 4.170 0.001 0.000 0.290 216 I C 0.179 176.229 176.117 -0.112 0.000 0.994 216 I CA -1.273 59.999 61.300 -0.046 0.000 1.191 216 I CB 0.934 38.931 38.000 -0.006 0.000 1.343 216 I HN 0.018 nan 8.210 nan 0.000 0.458 217 F N 4.363 124.320 119.950 0.011 0.000 2.371 217 F HA 0.480 5.007 4.527 0.001 0.000 0.329 217 F C 0.698 176.507 175.800 0.015 0.000 1.107 217 F CA -0.282 57.727 58.000 0.014 0.000 1.137 217 F CB 0.819 39.826 39.000 0.011 0.000 1.214 217 F HN 0.382 nan 8.300 nan 0.000 0.536 218 E N 1.805 122.127 120.200 0.204 0.000 2.317 218 E HA 0.285 4.635 4.350 0.001 0.000 0.270 218 E C -1.794 174.878 176.600 0.119 0.000 0.899 218 E CA -0.438 56.037 56.400 0.124 0.000 0.814 218 E CB 1.712 31.456 29.700 0.073 0.000 1.296 218 E HN 0.390 nan 8.360 nan 0.000 0.404 219 V N 6.480 126.456 119.914 0.103 0.000 2.381 219 V HA 0.030 4.150 4.120 0.001 0.000 0.257 219 V C 1.468 177.603 176.094 0.068 0.000 1.057 219 V CA -0.026 62.324 62.300 0.084 0.000 1.013 219 V CB 0.500 32.361 31.823 0.064 0.000 1.069 219 V HN 0.572 nan 8.190 nan 0.000 0.484 220 K N 2.043 122.483 120.400 0.066 0.000 2.062 220 K HA 0.049 4.369 4.320 0.001 0.000 0.205 220 K C 0.943 177.573 176.600 0.050 0.000 1.051 220 K CA 0.854 57.174 56.287 0.054 0.000 0.941 220 K CB 0.248 32.780 32.500 0.052 0.000 0.719 220 K HN 0.640 nan 8.250 nan 0.000 0.440 221 S N -0.679 115.052 115.700 0.051 0.000 2.625 221 S HA 0.461 4.931 4.470 0.001 0.000 0.271 221 S C -1.518 173.106 174.600 0.041 0.000 1.161 221 S CA -0.565 57.662 58.200 0.044 0.000 0.820 221 S CB 1.823 65.050 63.200 0.044 0.000 1.137 221 S HN 0.269 nan 8.310 nan 0.000 0.470 222 T N -0.295 114.276 114.554 0.027 0.000 2.889 222 T HA 0.906 5.256 4.350 0.001 0.000 0.315 222 T C -0.627 174.057 174.700 -0.027 0.000 1.291 222 T CA -0.235 61.871 62.100 0.010 0.000 1.028 222 T CB 0.951 69.849 68.868 0.049 0.000 1.235 222 T HN 1.593 nan 8.240 nan 0.000 0.491 223 A N 0.030 122.797 122.820 -0.088 0.000 2.564 223 A HA 1.070 5.391 4.320 0.001 0.000 0.291 223 A C 0.055 177.474 177.584 -0.274 0.000 1.102 223 A CA -0.123 51.834 52.037 -0.133 0.000 0.660 223 A CB 0.968 19.911 19.000 -0.094 0.000 1.283 223 A HN 2.506 nan 8.150 nan 0.000 0.430 224 G N -0.733 107.893 108.800 -0.289 0.000 2.332 224 G HA2 0.494 4.454 3.960 0.001 0.000 0.265 224 G HA3 0.494 4.454 3.960 0.001 0.000 0.265 224 G C -2.307 172.497 174.900 -0.160 0.000 1.329 224 G CA 0.294 45.122 45.100 -0.454 0.000 0.949 224 G HN 1.359 nan 8.290 nan 0.000 0.476 225 D N -0.709 119.655 120.400 -0.060 0.000 2.891 225 D HA 0.504 5.145 4.640 0.001 0.000 0.224 225 D C 1.360 177.675 176.300 0.025 0.000 1.321 225 D CA 0.443 54.468 54.000 0.042 0.000 0.929 225 D CB 1.441 42.338 40.800 0.161 0.000 1.551 225 D HN 0.714 nan 8.370 nan 0.000 0.574 226 T N -0.063 114.468 114.554 -0.038 0.000 3.163 226 T HA -0.034 4.316 4.350 0.001 0.000 0.260 226 T C 0.710 175.219 174.700 -0.318 0.000 1.156 226 T CA 0.839 62.858 62.100 -0.135 0.000 1.072 226 T CB -0.177 68.595 68.868 -0.159 0.000 0.937 226 T HN 0.447 nan 8.240 nan 0.000 0.528 227 H N 0.090 119.180 119.070 0.034 0.000 2.651 227 H HA 0.437 4.994 4.556 0.001 0.000 0.241 227 H C -0.687 174.645 175.328 0.006 0.000 1.225 227 H CA -0.437 55.623 56.048 0.020 0.000 0.942 227 H CB 0.451 30.209 29.762 -0.007 0.000 1.996 227 H HN 0.273 nan 8.280 nan 0.000 0.600 228 L N 0.905 122.169 121.223 0.068 0.000 2.439 228 L HA 0.653 4.993 4.340 0.001 0.000 0.270 228 L C -0.670 176.161 176.870 -0.066 0.000 0.972 228 L CA -0.205 54.643 54.840 0.012 0.000 0.836 228 L CB 1.719 43.830 42.059 0.087 0.000 1.255 228 L HN 0.456 nan 8.230 nan 0.000 0.404 229 G N 1.810 110.459 108.800 -0.251 0.000 2.554 229 G HA2 0.355 4.315 3.960 0.001 0.000 0.306 229 G HA3 0.355 4.315 3.960 0.001 0.000 0.306 229 G C 0.423 174.919 174.900 -0.673 0.000 1.320 229 G CA 0.035 44.952 45.100 -0.306 0.000 0.800 229 G HN 0.639 nan 8.290 nan 0.000 0.481 230 G N -0.541 108.032 108.800 -0.379 0.000 2.462 230 G HA2 -0.088 3.872 3.960 0.001 0.000 0.220 230 G HA3 -0.088 3.872 3.960 0.001 0.000 0.220 230 G C 1.213 176.020 174.900 -0.155 0.000 1.121 230 G CA 1.659 46.607 45.100 -0.254 0.000 0.758 230 G HN 0.667 nan 8.290 nan 0.000 0.559 231 E N 0.647 120.778 120.200 -0.116 0.000 2.077 231 E HA -0.123 4.227 4.350 0.001 0.000 0.193 231 E C 2.087 178.665 176.600 -0.037 0.000 0.989 231 E CA 1.328 57.715 56.400 -0.021 0.000 0.800 231 E CB -0.154 29.552 29.700 0.010 0.000 0.746 231 E HN 0.488 nan 8.360 nan 0.000 0.452 232 D N 0.090 120.394 120.400 -0.160 0.000 2.178 232 D HA -0.149 4.491 4.640 0.001 0.000 0.201 232 D C 1.487 177.828 176.300 0.068 0.000 0.980 232 D CA 0.866 54.813 54.000 -0.088 0.000 0.842 232 D CB -0.091 40.621 40.800 -0.146 0.000 0.948 232 D HN 0.111 nan 8.370 nan 0.000 0.472 233 F N 1.372 121.379 119.950 0.095 0.000 2.146 233 F HA -0.062 4.466 4.527 0.001 0.000 0.298 233 F C 2.020 177.924 175.800 0.173 0.000 1.096 233 F CA 0.590 58.657 58.000 0.111 0.000 1.275 233 F CB -0.917 38.246 39.000 0.272 0.000 1.008 233 F HN -0.094 nan 8.300 nan 0.000 0.480 234 D N 0.141 120.744 120.400 0.338 0.000 2.097 234 D HA -0.160 4.480 4.640 0.001 0.000 0.195 234 D C 1.924 178.354 176.300 0.217 0.000 0.989 234 D CA 1.091 55.255 54.000 0.272 0.000 0.827 234 D CB -0.588 40.325 40.800 0.188 0.000 0.966 234 D HN 0.174 nan 8.370 nan 0.000 0.456 235 N N 0.820 119.612 118.700 0.153 0.000 2.104 235 N HA -0.121 4.620 4.740 0.001 0.000 0.190 235 N C 1.775 177.356 175.510 0.118 0.000 1.024 235 N CA 0.642 53.761 53.050 0.115 0.000 0.853 235 N CB -0.123 38.404 38.487 0.067 0.000 1.008 235 N HN 0.156 nan 8.380 nan 0.000 0.424 236 R N 0.674 121.241 120.500 0.111 0.000 2.091 236 R HA 0.011 4.351 4.340 0.001 0.000 0.238 236 R C 2.216 178.578 176.300 0.103 0.000 1.136 236 R CA 0.852 56.989 56.100 0.062 0.000 0.959 236 R CB -0.569 29.723 30.300 -0.013 0.000 0.856 236 R HN 0.403 nan 8.270 nan 0.000 0.437 237 M N -0.090 119.624 119.600 0.190 0.000 2.099 237 M HA -0.143 4.337 4.480 0.001 0.000 0.262 237 M C 2.378 178.897 176.300 0.365 0.000 1.067 237 M CA 1.353 56.822 55.300 0.282 0.000 1.124 237 M CB -0.377 32.483 32.600 0.434 0.000 1.353 237 M HN -0.125 nan 8.290 nan 0.000 0.410 238 V N 1.289 121.393 119.914 0.317 0.000 2.231 238 V HA -0.344 3.776 4.120 0.001 0.000 0.248 238 V C 1.680 177.903 176.094 0.215 0.000 1.054 238 V CA 2.502 64.974 62.300 0.288 0.000 1.015 238 V CB -1.108 30.822 31.823 0.179 0.000 0.638 238 V HN 0.539 nan 8.190 nan 0.000 0.444 239 N N -0.861 117.922 118.700 0.139 0.000 2.205 239 N HA -0.256 4.484 4.740 0.001 0.000 0.186 239 N C 1.817 177.372 175.510 0.075 0.000 1.015 239 N CA 1.415 54.515 53.050 0.084 0.000 0.862 239 N CB -0.287 38.233 38.487 0.055 0.000 0.986 239 N HN 0.725 nan 8.380 nan 0.000 0.429 240 H N -0.072 118.984 119.070 -0.024 0.000 2.326 240 H HA -0.031 4.525 4.556 0.000 0.000 0.301 240 H C 1.388 176.637 175.328 -0.130 0.000 1.081 240 H CA 1.535 57.495 56.048 -0.146 0.000 1.334 240 H CB -0.231 29.346 29.762 -0.308 0.000 1.385 240 H HN 0.131 nan 8.280 nan 0.000 0.504 241 F N -0.003 119.954 119.950 0.012 0.000 2.325 241 F HA 0.023 4.550 4.527 0.000 0.000 0.299 241 F C 2.339 178.167 175.800 0.047 0.000 1.090 241 F CA 0.636 58.685 58.000 0.082 0.000 1.392 241 F CB -0.298 38.914 39.000 0.354 0.000 1.053 241 F HN 0.214 nan 8.300 nan 0.000 0.521 242 I N -0.379 120.275 120.570 0.140 0.000 2.226 242 I HA -0.307 3.864 4.170 0.001 0.000 0.245 242 I C 2.626 178.762 176.117 0.032 0.000 1.100 242 I CA 1.217 62.534 61.300 0.029 0.000 1.374 242 I CB -0.684 37.314 38.000 -0.004 0.000 1.057 242 I HN 0.093 nan 8.210 nan 0.000 0.413 243 A N 0.390 123.209 122.820 -0.002 0.000 1.902 243 A HA -0.280 4.040 4.320 0.001 0.000 0.217 243 A C 2.286 179.863 177.584 -0.012 0.000 1.181 243 A CA 2.039 54.064 52.037 -0.019 0.000 0.623 243 A CB -0.665 18.308 19.000 -0.045 0.000 0.818 243 A HN 0.521 nan 8.150 nan 0.000 0.443 244 E N -1.409 118.774 120.200 -0.028 0.000 2.077 244 E HA -0.209 4.142 4.350 0.001 0.000 0.193 244 E C 1.764 178.427 176.600 0.104 0.000 0.989 244 E CA 1.277 57.702 56.400 0.041 0.000 0.800 244 E CB -0.302 29.461 29.700 0.105 0.000 0.746 244 E HN 0.568 nan 8.360 nan 0.000 0.452 245 F N 1.670 121.594 119.950 -0.043 0.000 2.134 245 F HA -0.152 4.376 4.527 0.001 0.000 0.299 245 F C 2.316 178.080 175.800 -0.060 0.000 1.097 245 F CA 1.877 59.789 58.000 -0.147 0.000 1.264 245 F CB -0.048 38.690 39.000 -0.436 0.000 1.001 245 F HN -0.091 nan 8.300 nan 0.000 0.479 246 K N -0.004 120.462 120.400 0.111 0.000 2.147 246 K HA -0.164 4.156 4.320 0.001 0.000 0.205 246 K C 2.254 178.830 176.600 -0.040 0.000 1.049 246 K CA 1.102 57.415 56.287 0.043 0.000 0.936 246 K CB -0.032 32.488 32.500 0.034 0.000 0.722 246 K HN 0.249 nan 8.250 nan 0.000 0.446 247 R N 0.385 120.849 120.500 -0.060 0.000 2.057 247 R HA -0.066 4.274 4.340 0.001 0.000 0.229 247 R C 2.251 178.461 176.300 -0.151 0.000 1.136 247 R CA 1.613 57.666 56.100 -0.079 0.000 0.952 247 R CB -0.064 30.203 30.300 -0.055 0.000 0.848 247 R HN 0.133 nan 8.270 nan 0.000 0.430 248 K N -0.646 119.591 120.400 -0.272 0.000 2.103 248 K HA -0.084 4.237 4.320 0.001 0.000 0.204 248 K C 1.323 177.555 176.600 -0.614 0.000 1.052 248 K CA 1.263 57.268 56.287 -0.470 0.000 0.945 248 K CB 0.047 32.153 32.500 -0.656 0.000 0.722 248 K HN 0.416 nan 8.250 nan 0.000 0.443 249 H N -0.187 118.692 119.070 -0.319 0.000 2.755 249 H HA 0.204 4.761 4.556 0.001 0.000 0.273 249 H C -0.339 174.905 175.328 -0.140 0.000 1.055 249 H CA -0.423 55.441 56.048 -0.308 0.000 1.191 249 H CB 0.787 30.158 29.762 -0.652 0.000 1.536 249 H HN -0.088 nan 8.280 nan 0.000 0.529 250 K N 0.186 120.570 120.400 -0.028 0.000 3.088 250 K HA -0.193 4.127 4.320 0.001 0.000 0.273 250 K C -0.754 175.887 176.600 0.069 0.000 1.111 250 K CA 0.563 56.859 56.287 0.016 0.000 0.803 250 K CB -1.684 30.824 32.500 0.014 0.000 1.226 250 K HN 0.238 nan 8.250 nan 0.000 0.485 251 K N 1.345 121.817 120.400 0.121 0.000 2.413 251 K HA 0.233 4.554 4.320 0.001 0.000 0.257 251 K C -0.842 175.804 176.600 0.078 0.000 0.946 251 K CA -0.552 55.833 56.287 0.163 0.000 0.823 251 K CB 1.482 34.190 32.500 0.346 0.000 1.109 251 K HN 0.125 nan 8.250 nan 0.000 0.427 252 D N 3.857 124.223 120.400 -0.056 0.000 2.295 252 D HA 0.100 4.741 4.640 0.001 0.000 0.248 252 D C 0.601 176.655 176.300 -0.411 0.000 1.154 252 D CA -0.259 53.656 54.000 -0.141 0.000 0.857 252 D CB 0.897 41.655 40.800 -0.071 0.000 1.117 252 D HN 0.669 nan 8.370 nan 0.000 0.468 253 I N 0.860 121.116 120.570 -0.522 0.000 3.956 253 I HA 0.049 4.219 4.170 0.001 0.000 0.333 253 I C 1.271 177.196 176.117 -0.319 0.000 1.302 253 I CA -0.442 60.412 61.300 -0.742 0.000 1.122 253 I CB 0.295 37.767 38.000 -0.880 0.000 1.013 253 I HN 0.038 nan 8.210 nan 0.000 0.405 254 S N 2.620 118.203 115.700 -0.195 0.000 2.374 254 S HA -0.234 4.237 4.470 0.001 0.000 0.227 254 S C 1.758 176.331 174.600 -0.044 0.000 1.037 254 S CA 2.367 60.512 58.200 -0.090 0.000 1.024 254 S CB -0.373 62.793 63.200 -0.056 0.000 0.861 254 S HN 0.753 nan 8.310 nan 0.000 0.456 255 E N 2.340 122.522 120.200 -0.030 0.000 2.110 255 E HA -0.084 4.267 4.350 0.001 0.000 0.193 255 E C 0.771 177.399 176.600 0.047 0.000 0.988 255 E CA 0.691 57.103 56.400 0.019 0.000 0.804 255 E CB -0.689 29.035 29.700 0.040 0.000 0.745 255 E HN 0.384 nan 8.360 nan 0.000 0.458 256 N N 1.228 119.969 118.700 0.068 0.000 2.421 256 N HA 0.008 4.748 4.740 0.001 0.000 0.260 256 N C -0.053 175.491 175.510 0.057 0.000 1.173 256 N CA -0.030 53.085 53.050 0.108 0.000 0.960 256 N CB 0.525 39.160 38.487 0.247 0.000 1.273 256 N HN -0.074 nan 8.380 nan 0.000 0.497 257 K N 2.367 122.800 120.400 0.056 0.000 2.103 257 K HA -0.138 4.182 4.320 0.001 0.000 0.207 257 K C 1.768 178.399 176.600 0.052 0.000 1.048 257 K CA 1.122 57.440 56.287 0.053 0.000 0.930 257 K CB -0.056 32.482 32.500 0.063 0.000 0.716 257 K HN 0.514 nan 8.250 nan 0.000 0.444 258 R N 0.138 120.670 120.500 0.054 0.000 2.066 258 R HA -0.075 4.265 4.340 0.001 0.000 0.232 258 R C 2.098 178.420 176.300 0.037 0.000 1.131 258 R CA 1.456 57.584 56.100 0.048 0.000 0.955 258 R CB -0.293 30.034 30.300 0.045 0.000 0.851 258 R HN 0.200 nan 8.270 nan 0.000 0.432 259 A N 0.423 123.264 122.820 0.036 0.000 1.908 259 A HA -0.114 4.206 4.320 0.001 0.000 0.218 259 A C 2.268 179.838 177.584 -0.023 0.000 1.181 259 A CA 1.702 53.740 52.037 0.002 0.000 0.627 259 A CB -0.577 18.421 19.000 -0.004 0.000 0.818 259 A HN 0.243 nan 8.150 nan 0.000 0.445 260 V N 0.001 119.906 119.914 -0.015 0.000 2.307 260 V HA -0.268 3.853 4.120 0.001 0.000 0.245 260 V C 2.628 178.738 176.094 0.028 0.000 1.045 260 V CA 2.251 64.550 62.300 -0.003 0.000 1.024 260 V CB -0.832 30.995 31.823 0.006 0.000 0.651 260 V HN 0.542 nan 8.190 nan 0.000 0.449 261 R N -0.286 120.235 120.500 0.036 0.000 2.096 261 R HA -0.096 4.244 4.340 0.001 0.000 0.235 261 R C 2.522 178.843 176.300 0.034 0.000 1.127 261 R CA 1.240 57.366 56.100 0.042 0.000 0.968 261 R CB -0.339 29.992 30.300 0.052 0.000 0.861 261 R HN 0.469 nan 8.270 nan 0.000 0.440 262 R N 0.370 120.888 120.500 0.030 0.000 2.092 262 R HA -0.087 4.253 4.340 0.001 0.000 0.231 262 R C 2.279 178.600 176.300 0.033 0.000 1.119 262 R CA 0.871 56.988 56.100 0.028 0.000 0.970 262 R CB -0.439 29.879 30.300 0.030 0.000 0.864 262 R HN 0.126 nan 8.270 nan 0.000 0.440 263 L N 1.425 122.671 121.223 0.039 0.000 2.017 263 L HA -0.154 4.186 4.340 0.001 0.000 0.208 263 L C 2.475 179.389 176.870 0.074 0.000 1.073 263 L CA 1.736 56.613 54.840 0.061 0.000 0.745 263 L CB -0.498 41.603 42.059 0.069 0.000 0.894 263 L HN -0.024 nan 8.230 nan 0.000 0.432 264 R N -1.326 119.220 120.500 0.075 0.000 2.105 264 R HA -0.162 4.179 4.340 0.001 0.000 0.239 264 R C 1.968 178.307 176.300 0.066 0.000 1.135 264 R CA 2.023 58.175 56.100 0.087 0.000 0.967 264 R CB -0.466 29.877 30.300 0.073 0.000 0.861 264 R HN 0.423 nan 8.270 nan 0.000 0.442 265 T N 0.179 114.755 114.554 0.038 0.000 2.777 265 T HA -0.063 4.288 4.350 0.001 0.000 0.266 265 T C 1.778 176.489 174.700 0.018 0.000 1.040 265 T CA 1.288 63.400 62.100 0.019 0.000 1.141 265 T CB -0.264 68.605 68.868 0.002 0.000 0.868 265 T HN 0.478 nan 8.240 nan 0.000 0.444 266 A N 0.388 123.216 122.820 0.013 0.000 1.930 266 A HA -0.088 4.232 4.320 0.001 0.000 0.217 266 A C 2.663 180.246 177.584 -0.002 0.000 1.175 266 A CA 1.254 53.283 52.037 -0.014 0.000 0.627 266 A CB -1.208 17.768 19.000 -0.040 0.000 0.815 266 A HN 0.619 nan 8.150 nan 0.000 0.443 267 C N -0.957 118.374 119.300 0.052 0.000 2.446 267 C HA -0.061 4.399 4.460 0.001 0.000 0.277 267 C C 2.681 177.733 174.990 0.102 0.000 1.275 267 C CA 1.101 60.192 59.018 0.121 0.000 1.727 267 C CB -0.856 27.019 27.740 0.224 0.000 2.010 267 C HN 0.687 nan 8.230 nan 0.000 0.486 268 E N 1.338 121.592 120.200 0.090 0.000 2.085 268 E HA -0.245 4.105 4.350 0.001 0.000 0.194 268 E C 2.342 178.961 176.600 0.031 0.000 0.994 268 E CA 1.453 57.902 56.400 0.082 0.000 0.801 268 E CB -0.347 29.399 29.700 0.078 0.000 0.743 268 E HN 0.696 nan 8.360 nan 0.000 0.453 269 R N 0.163 120.669 120.500 0.009 0.000 2.092 269 R HA -0.040 4.301 4.340 0.001 0.000 0.231 269 R C 2.271 178.545 176.300 -0.044 0.000 1.119 269 R CA 1.477 57.565 56.100 -0.020 0.000 0.970 269 R CB -0.369 29.916 30.300 -0.025 0.000 0.864 269 R HN 0.103 nan 8.270 nan 0.000 0.440 270 A N 1.638 124.433 122.820 -0.042 0.000 1.898 270 A HA -0.174 4.146 4.320 0.001 0.000 0.216 270 A C 2.142 179.647 177.584 -0.132 0.000 1.181 270 A CA 1.592 53.590 52.037 -0.065 0.000 0.620 270 A CB -0.607 18.376 19.000 -0.028 0.000 0.819 270 A HN 0.467 nan 8.150 nan 0.000 0.442 271 K N -0.236 120.075 120.400 -0.149 0.000 2.074 271 K HA -0.217 4.104 4.320 0.001 0.000 0.209 271 K C 2.239 178.688 176.600 -0.252 0.000 1.048 271 K CA 1.686 57.773 56.287 -0.333 0.000 0.926 271 K CB -0.220 32.206 32.500 -0.123 0.000 0.713 271 K HN 0.469 nan 8.250 nan 0.000 0.444 272 R N -0.316 120.112 120.500 -0.120 0.000 2.081 272 R HA -0.081 4.260 4.340 0.001 0.000 0.235 272 R C 2.367 178.607 176.300 -0.099 0.000 1.131 272 R CA 1.903 57.950 56.100 -0.089 0.000 0.960 272 R CB -0.468 29.796 30.300 -0.061 0.000 0.856 272 R HN 0.257 nan 8.270 nan 0.000 0.436 273 T N 1.427 115.920 114.554 -0.102 0.000 2.833 273 T HA -0.069 4.281 4.350 0.001 0.000 0.269 273 T C 1.525 176.163 174.700 -0.103 0.000 1.054 273 T CA 0.745 62.792 62.100 -0.087 0.000 1.135 273 T CB -0.083 68.739 68.868 -0.076 0.000 0.869 273 T HN -0.011 nan 8.240 nan 0.000 0.466 274 L N 1.346 122.471 121.223 -0.164 0.000 2.450 274 L HA 0.079 4.420 4.340 0.001 0.000 0.224 274 L C 2.322 179.114 176.870 -0.130 0.000 1.149 274 L CA 1.182 55.911 54.840 -0.185 0.000 0.816 274 L CB -0.955 40.868 42.059 -0.393 0.000 0.932 274 L HN 0.153 nan 8.230 nan 0.000 0.449 275 S N -1.725 113.907 115.700 -0.113 0.000 2.562 275 S HA -0.008 4.463 4.470 0.001 0.000 0.221 275 S C 1.786 176.359 174.600 -0.044 0.000 0.975 275 S CA 0.814 58.975 58.200 -0.065 0.000 0.918 275 S CB 0.116 63.284 63.200 -0.055 0.000 0.772 275 S HN 0.664 nan 8.310 nan 0.000 0.531 276 S N -0.688 114.984 115.700 -0.046 0.000 2.727 276 S HA 0.299 4.769 4.470 0.001 0.000 0.249 276 S C 0.611 175.194 174.600 -0.029 0.000 1.079 276 S CA -0.466 57.714 58.200 -0.033 0.000 0.912 276 S CB 0.345 63.526 63.200 -0.032 0.000 0.861 276 S HN 0.169 nan 8.310 nan 0.000 0.484 277 S N 1.938 117.616 115.700 -0.035 0.000 2.718 277 S HA 0.537 5.008 4.470 0.001 0.000 0.300 277 S C 0.797 175.383 174.600 -0.023 0.000 1.117 277 S CA -0.122 58.062 58.200 -0.028 0.000 1.002 277 S CB 1.560 64.741 63.200 -0.032 0.000 1.092 277 S HN 0.542 nan 8.310 nan 0.000 0.542 278 T N -1.716 112.831 114.554 -0.011 0.000 3.086 278 T HA 0.264 4.614 4.350 0.001 0.000 0.250 278 T C 0.221 174.925 174.700 0.007 0.000 1.074 278 T CA 0.007 62.108 62.100 0.002 0.000 0.988 278 T CB -0.096 68.777 68.868 0.008 0.000 0.988 278 T HN 0.570 nan 8.240 nan 0.000 0.530 279 Q N -0.289 119.509 119.800 -0.004 0.000 2.472 279 Q HA 0.637 4.978 4.340 0.001 0.000 0.281 279 Q C -2.329 173.664 176.000 -0.013 0.000 0.997 279 Q CA -0.881 54.924 55.803 0.004 0.000 0.828 279 Q CB 2.099 30.845 28.738 0.013 0.000 1.443 279 Q HN 0.349 nan 8.270 nan 0.000 0.390 280 A N 1.300 124.116 122.820 -0.007 0.000 2.515 280 A HA 0.771 5.091 4.320 0.001 0.000 0.298 280 A C -1.156 176.411 177.584 -0.029 0.000 1.059 280 A CA -0.406 51.613 52.037 -0.029 0.000 0.698 280 A CB 1.868 20.840 19.000 -0.047 0.000 1.289 280 A HN 0.722 nan 8.150 nan 0.000 0.404 281 S N 1.375 117.036 115.700 -0.065 0.000 2.565 281 S HA 0.765 5.235 4.470 0.001 0.000 0.290 281 S C -0.380 174.125 174.600 -0.158 0.000 1.150 281 S CA -0.609 57.529 58.200 -0.103 0.000 1.058 281 S CB 0.963 64.093 63.200 -0.117 0.000 1.032 281 S HN 0.513 nan 8.310 nan 0.000 0.510 282 I N 2.216 122.646 120.570 -0.233 0.000 2.354 282 I HA 0.409 4.579 4.170 0.001 0.000 0.286 282 I C 0.141 176.065 176.117 -0.321 0.000 1.007 282 I CA -0.144 60.977 61.300 -0.300 0.000 1.167 282 I CB 1.029 38.724 38.000 -0.508 0.000 1.320 282 I HN 0.867 nan 8.210 nan 0.000 0.458 283 E N 8.159 128.183 120.200 -0.294 0.000 2.183 283 E HA 0.435 4.785 4.350 0.001 0.000 0.250 283 E C -1.210 175.296 176.600 -0.156 0.000 0.901 283 E CA -0.391 55.743 56.400 -0.443 0.000 0.741 283 E CB 1.082 30.418 29.700 -0.607 0.000 1.182 283 E HN 0.506 nan 8.360 nan 0.000 0.425 284 I N 3.278 123.905 120.570 0.095 0.000 2.382 284 I HA 0.233 4.403 4.170 0.001 0.000 0.286 284 I C -0.022 176.297 176.117 0.336 0.000 1.002 284 I CA -0.828 60.586 61.300 0.189 0.000 1.135 284 I CB 1.442 39.558 38.000 0.193 0.000 1.288 284 I HN 0.173 nan 8.210 nan 0.000 0.448 285 D N 4.702 125.256 120.400 0.256 0.000 2.308 285 D HA 0.032 4.672 4.640 0.001 0.000 0.251 285 D C 0.504 176.885 176.300 0.135 0.000 1.127 285 D CA 0.423 54.556 54.000 0.221 0.000 0.876 285 D CB 1.465 42.365 40.800 0.167 0.000 1.176 285 D HN 0.573 nan 8.370 nan 0.000 0.446 286 S N 1.487 117.250 115.700 0.105 0.000 3.436 286 S HA -0.212 4.258 4.470 0.001 0.000 0.393 286 S C 0.986 175.632 174.600 0.077 0.000 0.914 286 S CA -0.225 58.016 58.200 0.069 0.000 1.317 286 S CB -0.826 62.396 63.200 0.037 0.000 0.920 286 S HN 0.489 nan 8.310 nan 0.000 0.564 287 L N 2.649 123.939 121.223 0.111 0.000 2.005 287 L HA 0.284 4.625 4.340 0.001 0.000 0.207 287 L C 0.504 177.398 176.870 0.041 0.000 1.072 287 L CA 1.945 56.819 54.840 0.056 0.000 0.744 287 L CB -0.058 42.011 42.059 0.017 0.000 0.895 287 L HN 0.724 nan 8.230 nan 0.000 0.433 288 Y N 0.420 120.642 120.300 -0.130 0.000 2.361 288 Y HA 0.373 4.923 4.550 0.000 0.000 0.337 288 Y C 0.686 176.575 175.900 -0.018 0.000 0.965 288 Y CA -0.996 57.031 58.100 -0.121 0.000 1.091 288 Y CB 0.981 39.299 38.460 -0.236 0.000 1.182 288 Y HN 0.532 nan 8.280 nan 0.000 0.450 289 E N 2.671 122.659 120.200 -0.353 0.000 3.221 289 E HA -0.319 4.032 4.350 0.001 0.000 0.410 289 E C 0.617 177.161 176.600 -0.095 0.000 1.531 289 E CA 1.528 57.771 56.400 -0.262 0.000 1.285 289 E CB -1.417 28.125 29.700 -0.263 0.000 1.542 289 E HN 0.860 nan 8.360 nan 0.000 0.482 290 G N 0.604 109.375 108.800 -0.048 0.000 3.441 290 G HA2 0.428 4.388 3.960 0.001 0.000 0.263 290 G HA3 0.428 4.388 3.960 0.001 0.000 0.263 290 G C 0.172 175.069 174.900 -0.005 0.000 1.014 290 G CA -0.279 44.808 45.100 -0.022 0.000 0.833 290 G HN 0.174 nan 8.290 nan 0.000 0.514 291 I N 2.414 122.997 120.570 0.022 0.000 2.436 291 I HA 0.138 4.309 4.170 0.001 0.000 0.289 291 I C -0.626 175.538 176.117 0.077 0.000 1.083 291 I CA -0.524 60.776 61.300 -0.001 0.000 1.372 291 I CB 0.890 38.851 38.000 -0.065 0.000 1.408 291 I HN -0.059 nan 8.210 nan 0.000 0.516 292 D N 6.639 127.047 120.400 0.014 0.000 2.308 292 D HA 0.115 4.755 4.640 0.001 0.000 0.251 292 D C -0.534 175.897 176.300 0.218 0.000 1.127 292 D CA 0.036 54.058 54.000 0.037 0.000 0.876 292 D CB 1.386 42.012 40.800 -0.289 0.000 1.176 292 D HN 0.192 nan 8.370 nan 0.000 0.446 293 F N 4.039 124.132 119.950 0.239 0.000 2.313 293 F HA 0.212 4.739 4.527 0.000 0.000 0.369 293 F C -1.268 174.823 175.800 0.484 0.000 1.109 293 F CA -0.997 57.218 58.000 0.358 0.000 1.132 293 F CB 0.030 39.248 39.000 0.363 0.000 1.291 293 F HN 0.125 nan 8.300 nan 0.000 0.496 294 Y N 3.955 124.217 120.300 -0.064 0.000 2.334 294 Y HA 0.573 5.123 4.550 0.001 0.000 0.336 294 Y C 0.565 176.278 175.900 -0.312 0.000 0.960 294 Y CA -0.996 56.994 58.100 -0.183 0.000 1.164 294 Y CB 1.531 39.967 38.460 -0.041 0.000 1.155 294 Y HN 0.593 nan 8.280 nan 0.000 0.478 295 T N 1.036 115.418 114.554 -0.287 0.000 2.637 295 T HA 0.767 5.117 4.350 0.001 0.000 0.303 295 T C -1.259 173.358 174.700 -0.138 0.000 1.288 295 T CA -0.220 61.746 62.100 -0.223 0.000 1.040 295 T CB 1.038 69.681 68.868 -0.375 0.000 1.644 295 T HN 0.637 nan 8.240 nan 0.000 0.480 296 S N -0.083 115.631 115.700 0.023 0.000 2.615 296 S HA 0.798 5.268 4.470 0.001 0.000 0.269 296 S C -1.972 172.774 174.600 0.244 0.000 1.161 296 S CA -0.827 57.417 58.200 0.074 0.000 0.817 296 S CB 0.979 64.199 63.200 0.034 0.000 1.131 296 S HN 0.807 nan 8.310 nan 0.000 0.467 297 I N 0.664 121.360 120.570 0.210 0.000 2.865 297 I HA 0.724 4.894 4.170 0.001 0.000 0.302 297 I C 0.088 176.275 176.117 0.116 0.000 1.140 297 I CA -0.696 60.738 61.300 0.224 0.000 1.021 297 I CB 2.060 40.240 38.000 0.300 0.000 1.233 297 I HN 0.919 nan 8.210 nan 0.000 0.427 298 T N -0.671 113.939 114.554 0.093 0.000 2.945 298 T HA 0.490 4.840 4.350 0.001 0.000 0.286 298 T C 0.814 175.570 174.700 0.093 0.000 1.025 298 T CA -0.734 61.406 62.100 0.067 0.000 1.039 298 T CB 1.972 70.870 68.868 0.050 0.000 1.068 298 T HN 0.785 nan 8.240 nan 0.000 0.497 299 R N 0.712 121.261 120.500 0.081 0.000 2.105 299 R HA -0.091 4.249 4.340 0.001 0.000 0.239 299 R C 2.419 178.813 176.300 0.157 0.000 1.135 299 R CA 1.634 57.813 56.100 0.132 0.000 0.967 299 R CB -0.981 29.369 30.300 0.082 0.000 0.861 299 R HN 0.840 nan 8.270 nan 0.000 0.442 300 A N 1.173 124.043 122.820 0.084 0.000 1.883 300 A HA -0.167 4.153 4.320 0.001 0.000 0.217 300 A C 2.194 179.792 177.584 0.023 0.000 1.186 300 A CA 1.304 53.370 52.037 0.048 0.000 0.624 300 A CB -0.512 18.503 19.000 0.025 0.000 0.822 300 A HN 0.278 nan 8.150 nan 0.000 0.444 301 R N -1.969 118.543 120.500 0.019 0.000 2.075 301 R HA -0.105 4.236 4.340 0.001 0.000 0.232 301 R C 2.013 178.274 176.300 -0.065 0.000 1.126 301 R CA 1.493 57.562 56.100 -0.052 0.000 0.963 301 R CB -0.695 29.559 30.300 -0.076 0.000 0.858 301 R HN 0.630 nan 8.270 nan 0.000 0.435 302 F N 2.401 122.293 119.950 -0.097 0.000 2.069 302 F HA -0.200 4.327 4.527 0.000 0.000 0.298 302 F C 1.996 177.740 175.800 -0.094 0.000 1.113 302 F CA 1.684 59.637 58.000 -0.078 0.000 1.214 302 F CB -0.257 38.745 39.000 0.005 0.000 0.978 302 F HN 0.006 nan 8.300 nan 0.000 0.474 303 E N -0.110 120.042 120.200 -0.078 0.000 2.085 303 E HA -0.304 4.046 4.350 0.001 0.000 0.194 303 E C 2.003 178.427 176.600 -0.294 0.000 0.994 303 E CA 1.703 58.025 56.400 -0.130 0.000 0.801 303 E CB -0.344 29.401 29.700 0.075 0.000 0.743 303 E HN 0.732 nan 8.360 nan 0.000 0.453 304 E N 1.072 121.143 120.200 -0.214 0.000 2.208 304 E HA -0.138 4.212 4.350 0.001 0.000 0.193 304 E C 1.953 178.376 176.600 -0.295 0.000 0.988 304 E CA 0.749 57.020 56.400 -0.214 0.000 0.828 304 E CB -0.377 29.241 29.700 -0.136 0.000 0.763 304 E HN 0.218 nan 8.360 nan 0.000 0.478 305 L N 0.188 121.194 121.223 -0.363 0.000 2.191 305 L HA -0.074 4.266 4.340 0.001 0.000 0.212 305 L C 0.934 177.533 176.870 -0.451 0.000 1.103 305 L CA 1.399 56.023 54.840 -0.360 0.000 0.769 305 L CB -0.303 41.547 42.059 -0.350 0.000 0.908 305 L HN 0.216 nan 8.230 nan 0.000 0.438 306 N N -1.103 117.150 118.700 -0.745 0.000 2.200 306 N HA 0.195 4.935 4.740 0.001 0.000 0.224 306 N C 1.485 176.378 175.510 -1.029 0.000 1.179 306 N CA 0.446 52.894 53.050 -1.004 0.000 0.877 306 N CB 0.560 38.013 38.487 -1.723 0.000 1.072 306 N HN 0.093 nan 8.380 nan 0.000 0.519 307 A N 1.767 124.221 122.820 -0.610 0.000 1.903 307 A HA -0.297 4.023 4.320 0.001 0.000 0.219 307 A C 1.907 179.367 177.584 -0.206 0.000 1.191 307 A CA 2.215 54.055 52.037 -0.328 0.000 0.638 307 A CB -0.533 18.354 19.000 -0.188 0.000 0.823 307 A HN 0.520 nan 8.150 nan 0.000 0.451 308 D N -0.498 119.789 120.400 -0.189 0.000 2.144 308 D HA -0.124 4.516 4.640 0.001 0.000 0.200 308 D C 1.732 177.993 176.300 -0.065 0.000 0.978 308 D CA 1.182 55.124 54.000 -0.098 0.000 0.833 308 D CB -0.535 40.216 40.800 -0.081 0.000 0.961 308 D HN 0.301 nan 8.370 nan 0.000 0.470 309 L N -0.030 121.120 121.223 -0.121 0.000 2.027 309 L HA -0.054 4.287 4.340 0.001 0.000 0.206 309 L C 2.488 179.437 176.870 0.131 0.000 1.074 309 L CA 1.069 55.915 54.840 0.009 0.000 0.745 309 L CB -1.081 41.011 42.059 0.055 0.000 0.898 309 L HN -0.064 nan 8.230 nan 0.000 0.433 310 F N -0.034 119.845 119.950 -0.119 0.000 2.075 310 F HA -0.168 4.359 4.527 0.000 0.000 0.297 310 F C 2.776 178.532 175.800 -0.073 0.000 1.113 310 F CA 1.226 59.139 58.000 -0.145 0.000 1.218 310 F CB -1.173 37.695 39.000 -0.220 0.000 0.984 310 F HN 0.095 nan 8.300 nan 0.000 0.472 311 R N 0.319 120.903 120.500 0.140 0.000 2.083 311 R HA -0.144 4.197 4.340 0.001 0.000 0.237 311 R C 2.425 178.758 176.300 0.054 0.000 1.137 311 R CA 1.608 57.750 56.100 0.070 0.000 0.951 311 R CB -1.019 29.301 30.300 0.034 0.000 0.851 311 R HN 0.360 nan 8.270 nan 0.000 0.434 312 G N -0.986 107.847 108.800 0.055 0.000 2.527 312 G HA2 -0.215 3.745 3.960 0.001 0.000 0.219 312 G HA3 -0.215 3.745 3.960 0.001 0.000 0.219 312 G C 1.190 176.144 174.900 0.090 0.000 1.117 312 G CA 1.103 46.239 45.100 0.059 0.000 0.759 312 G HN 0.341 nan 8.290 nan 0.000 0.556 313 T N 1.003 115.607 114.554 0.084 0.000 2.849 313 T HA -0.041 4.309 4.350 0.001 0.000 0.270 313 T C 2.327 177.170 174.700 0.238 0.000 1.066 313 T CA 0.701 62.859 62.100 0.098 0.000 1.130 313 T CB -0.142 68.734 68.868 0.012 0.000 0.864 313 T HN 0.266 nan 8.240 nan 0.000 0.481 314 L N 0.423 121.686 121.223 0.067 0.000 2.217 314 L HA -0.034 4.306 4.340 0.001 0.000 0.211 314 L C 2.332 179.128 176.870 -0.123 0.000 1.107 314 L CA 0.700 55.457 54.840 -0.137 0.000 0.783 314 L CB -0.519 41.344 42.059 -0.328 0.000 0.919 314 L HN 0.106 nan 8.230 nan 0.000 0.442 315 D N 0.538 120.937 120.400 -0.001 0.000 2.106 315 D HA -0.149 4.491 4.640 0.001 0.000 0.191 315 D C -0.412 175.908 176.300 0.033 0.000 0.997 315 D CA 1.525 55.536 54.000 0.018 0.000 0.834 315 D CB -1.386 39.442 40.800 0.047 0.000 0.956 315 D HN 0.215 nan 8.370 nan 0.000 0.448 316 P HA -0.063 nan 4.420 nan 0.000 0.222 316 P C 1.499 178.809 177.300 0.017 0.000 1.147 316 P CA 0.580 63.698 63.100 0.031 0.000 0.790 316 P CB 0.211 31.909 31.700 -0.004 0.000 0.780 317 V N -0.009 119.936 119.914 0.051 0.000 2.379 317 V HA -0.208 3.912 4.120 0.001 0.000 0.245 317 V C 2.254 178.382 176.094 0.057 0.000 1.044 317 V CA 1.709 64.051 62.300 0.070 0.000 1.036 317 V CB -1.047 30.784 31.823 0.014 0.000 0.664 317 V HN 0.172 nan 8.190 nan 0.000 0.453 318 E N 0.240 120.433 120.200 -0.012 0.000 2.077 318 E HA -0.292 4.058 4.350 0.001 0.000 0.193 318 E C 2.228 178.875 176.600 0.080 0.000 0.989 318 E CA 1.477 57.931 56.400 0.090 0.000 0.800 318 E CB -0.160 29.587 29.700 0.078 0.000 0.746 318 E HN 0.375 nan 8.360 nan 0.000 0.452 319 K N 1.376 121.805 120.400 0.047 0.000 2.032 319 K HA -0.139 4.182 4.320 0.001 0.000 0.209 319 K C 1.878 178.504 176.600 0.042 0.000 1.048 319 K CA 1.610 57.919 56.287 0.037 0.000 0.927 319 K CB -0.524 31.987 32.500 0.018 0.000 0.712 319 K HN 0.093 nan 8.250 nan 0.000 0.441 320 A N 0.531 123.378 122.820 0.046 0.000 1.908 320 A HA -0.127 4.194 4.320 0.001 0.000 0.218 320 A C 2.048 179.680 177.584 0.079 0.000 1.181 320 A CA 1.527 53.595 52.037 0.053 0.000 0.627 320 A CB -0.687 18.347 19.000 0.056 0.000 0.818 320 A HN 0.298 nan 8.150 nan 0.000 0.445 321 L N 0.467 121.757 121.223 0.112 0.000 1.970 321 L HA -0.211 4.129 4.340 0.001 0.000 0.212 321 L C 2.794 179.712 176.870 0.080 0.000 1.071 321 L CA 2.553 57.466 54.840 0.121 0.000 0.751 321 L CB -1.125 41.031 42.059 0.161 0.000 0.889 321 L HN 0.694 nan 8.230 nan 0.000 0.432 322 R N -0.931 119.611 120.500 0.069 0.000 2.096 322 R HA -0.158 4.183 4.340 0.001 0.000 0.235 322 R C 1.652 177.976 176.300 0.041 0.000 1.127 322 R CA 1.745 57.874 56.100 0.049 0.000 0.968 322 R CB -0.718 29.608 30.300 0.044 0.000 0.861 322 R HN 0.274 nan 8.270 nan 0.000 0.440 323 D N 1.453 121.878 120.400 0.041 0.000 2.117 323 D HA -0.070 4.570 4.640 0.001 0.000 0.198 323 D C 1.777 178.099 176.300 0.037 0.000 0.982 323 D CA 1.826 55.847 54.000 0.034 0.000 0.828 323 D CB -0.230 40.588 40.800 0.031 0.000 0.967 323 D HN 0.469 nan 8.370 nan 0.000 0.464 324 A N 0.361 123.207 122.820 0.044 0.000 2.235 324 A HA -0.052 4.268 4.320 0.001 0.000 0.208 324 A C 0.408 178.015 177.584 0.039 0.000 1.172 324 A CA 0.251 52.315 52.037 0.044 0.000 0.786 324 A CB -0.152 18.879 19.000 0.052 0.000 0.804 324 A HN -0.005 nan 8.150 nan 0.000 0.479 325 K N -1.185 119.238 120.400 0.038 0.000 3.150 325 K HA -0.165 4.155 4.320 0.001 0.000 0.267 325 K C -0.632 175.986 176.600 0.031 0.000 1.028 325 K CA 0.824 57.130 56.287 0.032 0.000 0.753 325 K CB -2.423 30.093 32.500 0.026 0.000 1.288 325 K HN 0.581 nan 8.250 nan 0.000 0.473 326 L N -0.483 120.763 121.223 0.039 0.000 2.333 326 L HA 0.463 4.804 4.340 0.001 0.000 0.263 326 L C 0.276 177.171 176.870 0.041 0.000 1.014 326 L CA -1.186 53.675 54.840 0.035 0.000 0.820 326 L CB 1.945 44.027 42.059 0.037 0.000 1.352 326 L HN 0.025 nan 8.230 nan 0.000 0.421 327 D N -0.286 120.131 120.400 0.028 0.000 2.326 327 D HA 0.248 4.888 4.640 0.001 0.000 0.251 327 D C 0.723 177.046 176.300 0.040 0.000 1.023 327 D CA -0.460 53.550 54.000 0.017 0.000 0.966 327 D CB 1.549 42.347 40.800 -0.004 0.000 1.156 327 D HN 0.360 nan 8.370 nan 0.000 0.494 328 K N 0.054 120.457 120.400 0.004 0.000 2.089 328 K HA -0.186 4.134 4.320 0.001 0.000 0.210 328 K C 1.895 178.576 176.600 0.135 0.000 1.048 328 K CA 1.797 58.122 56.287 0.064 0.000 0.926 328 K CB -0.282 32.084 32.500 -0.223 0.000 0.714 328 K HN 0.528 nan 8.250 nan 0.000 0.448 329 S N 0.925 116.646 115.700 0.035 0.000 2.447 329 S HA -0.173 4.298 4.470 0.001 0.000 0.233 329 S C 1.838 176.432 174.600 -0.009 0.000 1.006 329 S CA 0.921 59.135 58.200 0.023 0.000 0.957 329 S CB -0.154 63.049 63.200 0.004 0.000 0.773 329 S HN 0.328 nan 8.310 nan 0.000 0.507 330 Q N 0.644 120.424 119.800 -0.033 0.000 2.378 330 Q HA 0.208 4.549 4.340 0.001 0.000 0.205 330 Q C 0.512 176.294 176.000 -0.364 0.000 0.954 330 Q CA 0.367 56.092 55.803 -0.130 0.000 0.901 330 Q CB -0.379 28.318 28.738 -0.067 0.000 0.981 330 Q HN 0.889 nan 8.270 nan 0.000 0.483 331 I N -1.940 118.500 120.570 -0.216 0.000 2.416 331 I HA 0.066 4.237 4.170 0.001 0.000 0.288 331 I C 0.415 176.335 176.117 -0.329 0.000 1.051 331 I CA -0.006 61.123 61.300 -0.285 0.000 1.375 331 I CB 0.922 38.857 38.000 -0.109 0.000 1.407 331 I HN -0.014 nan 8.210 nan 0.000 0.516 332 H N 2.959 122.008 119.070 -0.036 0.000 2.415 332 H HA 0.265 4.821 4.556 0.000 0.000 0.297 332 H C -0.253 175.025 175.328 -0.084 0.000 1.048 332 H CA 0.873 56.891 56.048 -0.049 0.000 1.365 332 H CB 0.222 29.962 29.762 -0.036 0.000 1.421 332 H HN 0.646 nan 8.280 nan 0.000 0.533 333 D N 0.344 120.737 120.400 -0.011 0.000 2.671 333 D HA 0.360 5.001 4.640 0.001 0.000 0.232 333 D C -0.685 175.524 176.300 -0.152 0.000 1.114 333 D CA -0.405 53.546 54.000 -0.083 0.000 0.858 333 D CB 3.107 43.876 40.800 -0.053 0.000 1.544 333 D HN 0.046 nan 8.370 nan 0.000 0.471 334 I N 1.494 121.940 120.570 -0.207 0.000 2.439 334 I HA 0.251 4.421 4.170 0.001 0.000 0.285 334 I C -0.203 175.804 176.117 -0.185 0.000 1.021 334 I CA -1.106 60.058 61.300 -0.227 0.000 1.091 334 I CB 2.146 39.938 38.000 -0.348 0.000 1.242 334 I HN 0.024 nan 8.210 nan 0.000 0.439 335 V N 7.168 127.020 119.914 -0.103 0.000 2.495 335 V HA 0.578 4.699 4.120 0.001 0.000 0.298 335 V C -0.642 175.483 176.094 0.051 0.000 1.031 335 V CA -0.505 61.738 62.300 -0.095 0.000 0.871 335 V CB 1.853 33.627 31.823 -0.083 0.000 0.988 335 V HN 0.597 nan 8.190 nan 0.000 0.432 336 L N 6.344 127.603 121.223 0.060 0.000 2.290 336 L HA 0.660 5.000 4.340 0.001 0.000 0.284 336 L C -0.469 176.508 176.870 0.178 0.000 1.078 336 L CA -0.405 54.525 54.840 0.150 0.000 0.815 336 L CB 1.499 43.613 42.059 0.093 0.000 1.162 336 L HN 0.543 nan 8.230 nan 0.000 0.435 337 V N 1.576 121.613 119.914 0.204 0.000 2.876 337 V HA 0.913 5.033 4.120 0.001 0.000 0.312 337 V C 0.158 176.340 176.094 0.147 0.000 1.085 337 V CA -0.489 61.900 62.300 0.148 0.000 0.945 337 V CB 1.805 33.699 31.823 0.118 0.000 1.017 337 V HN 0.991 nan 8.190 nan 0.000 0.428 338 G N 2.252 111.115 108.800 0.105 0.000 2.712 338 G HA2 0.236 4.196 3.960 0.001 0.000 0.686 338 G HA3 0.236 4.196 3.960 0.001 0.000 0.686 338 G C 0.624 175.575 174.900 0.086 0.000 1.181 338 G CA -0.057 45.102 45.100 0.098 0.000 0.762 338 G HN 1.414 nan 8.290 nan 0.000 0.641 339 G N 0.042 108.875 108.800 0.054 0.000 2.422 339 G HA2 0.039 3.999 3.960 0.001 0.000 0.218 339 G HA3 0.039 3.999 3.960 0.001 0.000 0.218 339 G C 2.043 176.989 174.900 0.076 0.000 1.146 339 G CA 1.995 47.110 45.100 0.025 0.000 0.769 339 G HN 1.411 nan 8.290 nan 0.000 0.547 340 S N 0.574 116.355 115.700 0.135 0.000 2.447 340 S HA -0.122 4.348 4.470 0.001 0.000 0.233 340 S C 2.544 177.238 174.600 0.156 0.000 1.006 340 S CA 1.613 59.942 58.200 0.215 0.000 0.957 340 S CB -0.389 63.022 63.200 0.351 0.000 0.773 340 S HN 0.720 nan 8.310 nan 0.000 0.507 341 T N 0.180 114.823 114.554 0.148 0.000 3.051 341 T HA 0.058 4.408 4.350 0.001 0.000 0.269 341 T C 1.448 176.175 174.700 0.044 0.000 1.127 341 T CA 0.454 62.633 62.100 0.130 0.000 1.107 341 T CB -0.258 68.731 68.868 0.201 0.000 0.898 341 T HN 0.290 nan 8.240 nan 0.000 0.517 342 R N 0.297 120.819 120.500 0.037 0.000 2.280 342 R HA 0.269 4.610 4.340 0.001 0.000 0.207 342 R C 0.333 176.622 176.300 -0.018 0.000 1.043 342 R CA 0.171 56.275 56.100 0.007 0.000 1.006 342 R CB -0.331 29.971 30.300 0.004 0.000 0.885 342 R HN 0.483 nan 8.270 nan 0.000 0.467 343 I N 2.291 122.843 120.570 -0.030 0.000 2.517 343 I HA 0.009 4.179 4.170 0.001 0.000 0.285 343 I C -1.525 174.523 176.117 -0.116 0.000 1.106 343 I CA -1.691 59.565 61.300 -0.073 0.000 1.402 343 I CB 1.028 38.937 38.000 -0.152 0.000 1.399 343 I HN -0.199 nan 8.210 nan 0.000 0.535 344 P HA -0.233 nan 4.420 nan 0.000 0.216 344 P C 1.538 178.778 177.300 -0.100 0.000 1.157 344 P CA 1.241 64.302 63.100 -0.065 0.000 0.880 344 P CB 0.198 31.882 31.700 -0.027 0.000 0.791 345 K N -0.420 119.902 120.400 -0.130 0.000 2.103 345 K HA -0.116 4.204 4.320 0.001 0.000 0.207 345 K C 1.912 178.363 176.600 -0.248 0.000 1.048 345 K CA 1.337 57.531 56.287 -0.155 0.000 0.930 345 K CB -1.025 31.403 32.500 -0.120 0.000 0.716 345 K HN -0.013 nan 8.250 nan 0.000 0.444 346 I N 1.057 121.394 120.570 -0.389 0.000 2.252 346 I HA -0.237 3.934 4.170 0.001 0.000 0.245 346 I C 2.111 178.100 176.117 -0.214 0.000 1.102 346 I CA 1.454 62.553 61.300 -0.334 0.000 1.385 346 I CB -1.030 36.779 38.000 -0.317 0.000 1.064 346 I HN 0.370 nan 8.210 nan 0.000 0.414 347 Q N 0.446 120.146 119.800 -0.167 0.000 2.079 347 Q HA -0.229 4.111 4.340 0.001 0.000 0.200 347 Q C 2.256 178.199 176.000 -0.096 0.000 0.974 347 Q CA 1.412 57.136 55.803 -0.131 0.000 0.840 347 Q CB -0.148 28.536 28.738 -0.090 0.000 0.898 347 Q HN 0.439 nan 8.270 nan 0.000 0.430 348 K N 0.689 121.042 120.400 -0.078 0.000 2.002 348 K HA -0.201 4.119 4.320 0.001 0.000 0.209 348 K C 2.058 178.643 176.600 -0.024 0.000 1.048 348 K CA 0.976 57.238 56.287 -0.041 0.000 0.930 348 K CB -0.109 32.372 32.500 -0.033 0.000 0.714 348 K HN 0.058 nan 8.250 nan 0.000 0.438 349 L N 1.739 122.937 121.223 -0.041 0.000 2.013 349 L HA -0.181 4.160 4.340 0.001 0.000 0.212 349 L C 2.197 179.081 176.870 0.023 0.000 1.073 349 L CA 1.510 56.344 54.840 -0.011 0.000 0.753 349 L CB -0.629 41.408 42.059 -0.037 0.000 0.890 349 L HN 0.322 nan 8.230 nan 0.000 0.432 350 L N -1.412 119.785 121.223 -0.042 0.000 2.056 350 L HA -0.249 4.091 4.340 0.001 0.000 0.207 350 L C 2.567 179.554 176.870 0.194 0.000 1.078 350 L CA 1.450 56.296 54.840 0.010 0.000 0.749 350 L CB -0.169 41.731 42.059 -0.265 0.000 0.901 350 L HN 0.446 nan 8.230 nan 0.000 0.433 351 Q N -0.299 119.550 119.800 0.083 0.000 2.084 351 Q HA -0.245 4.096 4.340 0.001 0.000 0.202 351 Q C 1.634 177.702 176.000 0.114 0.000 0.978 351 Q CA 1.973 57.835 55.803 0.099 0.000 0.844 351 Q CB 0.158 28.909 28.738 0.022 0.000 0.898 351 Q HN 0.450 nan 8.270 nan 0.000 0.426 352 D N -0.288 120.163 120.400 0.086 0.000 2.117 352 D HA -0.157 4.483 4.640 0.001 0.000 0.197 352 D C 1.405 177.744 176.300 0.065 0.000 0.987 352 D CA 0.796 54.832 54.000 0.061 0.000 0.829 352 D CB -0.309 40.521 40.800 0.051 0.000 0.961 352 D HN 0.257 nan 8.370 nan 0.000 0.460 353 F N 0.115 120.039 119.950 -0.042 0.000 2.171 353 F HA -0.106 4.421 4.527 0.001 0.000 0.300 353 F C 1.320 176.961 175.800 -0.264 0.000 1.090 353 F CA 1.038 58.945 58.000 -0.156 0.000 1.293 353 F CB -0.174 38.711 39.000 -0.191 0.000 1.013 353 F HN -0.165 nan 8.300 nan 0.000 0.486 354 F N 1.496 121.441 119.950 -0.008 0.000 2.701 354 F HA 0.215 4.742 4.527 0.001 0.000 0.295 354 F C 0.422 176.164 175.800 -0.095 0.000 1.165 354 F CA -0.211 57.734 58.000 -0.093 0.000 1.399 354 F CB -1.484 37.523 39.000 0.012 0.000 0.996 354 F HN -0.015 nan 8.300 nan 0.000 0.513 355 N N 0.510 119.199 118.700 -0.019 0.000 2.705 355 N HA -0.227 4.514 4.740 0.001 0.000 0.255 355 N C 1.155 176.676 175.510 0.018 0.000 1.008 355 N CA 0.319 53.356 53.050 -0.021 0.000 0.742 355 N CB -1.153 37.300 38.487 -0.056 0.000 0.906 355 N HN 0.633 nan 8.380 nan 0.000 0.541 356 G N -0.741 108.080 108.800 0.035 0.000 2.179 356 G HA2 -0.418 3.542 3.960 0.001 0.000 0.260 356 G HA3 -0.418 3.542 3.960 0.001 0.000 0.260 356 G C 0.166 175.081 174.900 0.025 0.000 0.977 356 G CA 0.566 45.681 45.100 0.024 0.000 0.641 356 G HN 0.619 nan 8.290 nan 0.000 0.533 357 K N 1.663 122.093 120.400 0.050 0.000 2.489 357 K HA 0.235 4.555 4.320 0.001 0.000 0.278 357 K C 1.215 177.804 176.600 -0.018 0.000 1.000 357 K CA 0.333 56.631 56.287 0.018 0.000 1.012 357 K CB 0.198 32.713 32.500 0.024 0.000 0.903 357 K HN 0.620 nan 8.250 nan 0.000 0.485 358 E N 3.829 124.005 120.200 -0.040 0.000 2.373 358 E HA 0.057 4.407 4.350 0.001 0.000 0.267 358 E C -0.782 175.760 176.600 -0.096 0.000 1.032 358 E CA -0.600 55.766 56.400 -0.057 0.000 0.889 358 E CB 0.645 30.314 29.700 -0.052 0.000 0.984 358 E HN 0.151 nan 8.360 nan 0.000 0.425 359 L N 2.884 124.047 121.223 -0.100 0.000 2.325 359 L HA 0.272 4.612 4.340 0.001 0.000 0.279 359 L C 0.038 176.811 176.870 -0.161 0.000 1.054 359 L CA -0.649 54.110 54.840 -0.136 0.000 0.804 359 L CB 0.932 42.922 42.059 -0.115 0.000 1.200 359 L HN 0.622 nan 8.230 nan 0.000 0.436 360 N N 2.975 121.526 118.700 -0.249 0.000 2.406 360 N HA 0.306 5.046 4.740 0.001 0.000 0.251 360 N C -0.050 175.308 175.510 -0.253 0.000 1.069 360 N CA -0.110 52.690 53.050 -0.417 0.000 0.947 360 N CB 0.559 38.532 38.487 -0.857 0.000 1.111 360 N HN 0.544 nan 8.380 nan 0.000 0.497 361 K N -0.595 119.768 120.400 -0.061 0.000 2.850 361 K HA 0.084 4.405 4.320 0.001 0.000 0.175 361 K C 0.220 176.892 176.600 0.120 0.000 1.137 361 K CA -0.285 56.049 56.287 0.079 0.000 1.125 361 K CB 0.009 32.519 32.500 0.017 0.000 0.766 361 K HN 0.336 nan 8.250 nan 0.000 0.438 362 S N 0.498 116.308 115.700 0.183 0.000 2.428 362 S HA 0.088 4.558 4.470 0.001 0.000 0.230 362 S C 0.939 175.574 174.600 0.057 0.000 1.014 362 S CA 0.096 58.364 58.200 0.114 0.000 0.957 362 S CB -0.514 62.760 63.200 0.123 0.000 0.784 362 S HN 0.347 nan 8.310 nan 0.000 0.499 363 I N 2.949 123.540 120.570 0.035 0.000 2.365 363 I HA 0.200 4.371 4.170 0.001 0.000 0.291 363 I C -0.326 175.777 176.117 -0.023 0.000 1.004 363 I CA -0.755 60.470 61.300 -0.125 0.000 1.311 363 I CB 0.574 38.271 38.000 -0.504 0.000 1.401 363 I HN 0.022 nan 8.210 nan 0.000 0.491 364 N N 8.324 127.017 118.700 -0.011 0.000 2.301 364 N HA -0.052 4.688 4.740 0.001 0.000 0.267 364 N C -1.665 173.854 175.510 0.015 0.000 1.304 364 N CA -0.684 52.371 53.050 0.008 0.000 0.851 364 N CB 0.597 39.086 38.487 0.003 0.000 1.070 364 N HN 0.353 nan 8.380 nan 0.000 0.483 365 P HA -0.157 nan 4.420 nan 0.000 0.217 365 P C 0.554 177.881 177.300 0.044 0.000 1.148 365 P CA 1.232 64.369 63.100 0.062 0.000 0.828 365 P CB 0.182 31.930 31.700 0.079 0.000 0.783 366 D N -1.072 119.339 120.400 0.020 0.000 2.349 366 D HA -0.089 4.551 4.640 0.001 0.000 0.224 366 D C 1.029 177.336 176.300 0.011 0.000 1.029 366 D CA 0.646 54.649 54.000 0.006 0.000 0.879 366 D CB -0.576 40.198 40.800 -0.044 0.000 0.906 366 D HN 0.295 nan 8.370 nan 0.000 0.528 367 E N -0.485 119.727 120.200 0.019 0.000 2.572 367 E HA 0.306 4.656 4.350 0.001 0.000 0.220 367 E C 1.730 178.363 176.600 0.055 0.000 0.945 367 E CA 0.199 56.621 56.400 0.036 0.000 1.070 367 E CB 0.630 30.357 29.700 0.044 0.000 1.090 367 E HN 0.213 nan 8.360 nan 0.000 0.506 368 A N 1.232 124.060 122.820 0.014 0.000 1.908 368 A HA -0.169 4.151 4.320 0.001 0.000 0.218 368 A C 2.372 179.965 177.584 0.015 0.000 1.181 368 A CA 1.409 53.426 52.037 -0.035 0.000 0.627 368 A CB -0.651 18.338 19.000 -0.018 0.000 0.818 368 A HN 0.107 nan 8.150 nan 0.000 0.445 369 V N -0.263 119.665 119.914 0.023 0.000 2.307 369 V HA -0.216 3.904 4.120 0.001 0.000 0.245 369 V C 3.051 179.157 176.094 0.021 0.000 1.045 369 V CA 1.907 64.212 62.300 0.008 0.000 1.024 369 V CB -1.364 30.452 31.823 -0.011 0.000 0.651 369 V HN 0.623 nan 8.190 nan 0.000 0.449 370 A N -0.815 122.025 122.820 0.032 0.000 1.877 370 A HA -0.279 4.041 4.320 0.001 0.000 0.216 370 A C 2.180 179.794 177.584 0.050 0.000 1.186 370 A CA 2.131 54.181 52.037 0.023 0.000 0.620 370 A CB -0.855 18.153 19.000 0.014 0.000 0.822 370 A HN 0.589 nan 8.150 nan 0.000 0.443 371 Y N 0.812 121.079 120.300 -0.054 0.000 2.081 371 Y HA -0.188 4.363 4.550 0.001 0.000 0.280 371 Y C 2.563 178.430 175.900 -0.054 0.000 1.163 371 Y CA 1.677 59.744 58.100 -0.055 0.000 1.135 371 Y CB -0.890 37.515 38.460 -0.091 0.000 0.970 371 Y HN 0.236 nan 8.280 nan 0.000 0.498 372 G N -0.799 108.130 108.800 0.215 0.000 2.422 372 G HA2 -0.225 3.736 3.960 0.001 0.000 0.218 372 G HA3 -0.225 3.736 3.960 0.001 0.000 0.218 372 G C 1.820 176.731 174.900 0.019 0.000 1.146 372 G CA 0.974 46.137 45.100 0.105 0.000 0.769 372 G HN 0.614 nan 8.290 nan 0.000 0.547 373 A N 1.110 123.929 122.820 -0.003 0.000 1.930 373 A HA 0.312 4.633 4.320 0.001 0.000 0.217 373 A C 2.795 180.354 177.584 -0.041 0.000 1.175 373 A CA 2.086 54.102 52.037 -0.035 0.000 0.627 373 A CB -0.685 18.294 19.000 -0.037 0.000 0.815 373 A HN 0.728 nan 8.150 nan 0.000 0.443 374 A N -0.436 122.362 122.820 -0.037 0.000 1.902 374 A HA -0.006 4.314 4.320 0.001 0.000 0.217 374 A C 2.220 179.761 177.584 -0.071 0.000 1.181 374 A CA 1.809 53.820 52.037 -0.043 0.000 0.623 374 A CB -0.925 18.038 19.000 -0.062 0.000 0.818 374 A HN 0.391 nan 8.150 nan 0.000 0.443 375 V N -0.180 119.668 119.914 -0.109 0.000 2.295 375 V HA -0.285 3.835 4.120 0.001 0.000 0.246 375 V C 2.737 178.685 176.094 -0.243 0.000 1.049 375 V CA 2.351 64.487 62.300 -0.272 0.000 1.024 375 V CB -0.822 30.910 31.823 -0.152 0.000 0.648 375 V HN 0.691 nan 8.190 nan 0.000 0.447 376 Q N 0.557 120.280 119.800 -0.128 0.000 2.124 376 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 376 Q C 2.111 178.055 176.000 -0.093 0.000 0.977 376 Q CA 2.103 57.846 55.803 -0.099 0.000 0.850 376 Q CB -0.603 28.093 28.738 -0.071 0.000 0.901 376 Q HN 0.603 nan 8.270 nan 0.000 0.429 377 A N 0.208 122.979 122.820 -0.081 0.000 1.902 377 A HA -0.045 4.275 4.320 0.001 0.000 0.217 377 A C 2.284 179.831 177.584 -0.060 0.000 1.181 377 A CA 1.829 53.833 52.037 -0.055 0.000 0.623 377 A CB -1.210 17.770 19.000 -0.034 0.000 0.818 377 A HN 0.514 nan 8.150 nan 0.000 0.443 378 A N 0.854 123.612 122.820 -0.102 0.000 1.851 378 A HA -0.157 4.163 4.320 0.001 0.000 0.216 378 A C 2.204 179.717 177.584 -0.117 0.000 1.195 378 A CA 1.822 53.793 52.037 -0.111 0.000 0.622 378 A CB -0.939 17.853 19.000 -0.346 0.000 0.831 378 A HN 1.107 nan 8.150 nan 0.000 0.444 379 I N -2.766 117.703 120.570 -0.169 0.000 2.286 379 I HA -0.171 4.000 4.170 0.001 0.000 0.248 379 I C 1.887 177.969 176.117 -0.058 0.000 1.115 379 I CA 1.523 62.757 61.300 -0.110 0.000 1.392 379 I CB -0.309 37.627 38.000 -0.108 0.000 1.065 379 I HN 0.144 nan 8.210 nan 0.000 0.418 380 L N 1.108 122.299 121.223 -0.053 0.000 2.362 380 L HA 0.101 4.441 4.340 0.001 0.000 0.219 380 L C 1.235 178.093 176.870 -0.021 0.000 1.134 380 L CA 0.869 55.690 54.840 -0.032 0.000 0.807 380 L CB -0.867 41.173 42.059 -0.031 0.000 0.927 380 L HN 0.330 nan 8.230 nan 0.000 0.447 381 S N 0.000 115.688 115.700 -0.020 0.000 2.498 381 S HA 0.000 4.470 4.470 0.001 0.000 0.327 381 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 381 S CB 0.000 63.200 63.200 -0.001 0.000 0.593 381 S HN 0.000 nan 8.310 nan 0.000 0.517