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 3hdq_1_H DATA FIRST_RESID 27 DATA SEQUENCE SKGFDYLIVG AGFAGSVLAE RLASSGQRVL IVDRRPHIGG NAYDCYDDAG DATA SEQUENCE VLIHPYGPHI FHTNSKDVFE YLSRFTEWRP YQHRVLASVD GQLLPIPINL DATA SEQUENCE DTVNRLYGLN LTSFQVEEFF ASVAEKVEQV RTSEDVVVSK VGRDLYNKFF DATA SEQUENCE RGYTRKQWGL DPSELDASVT ARVPTRTNRD NRYFADTYQA MPLHGYTRMF DATA SEQUENCE QNMLSSPNIK VMLNTDYREI ADFIPFQHMI YTGPVDAFFD FCYGKLPYRS DATA SEQUENCE LEFRHETHDT EQLLPTGTVN YPNDYAYTRV SEFKHITGQR HHQTSVVYEY DATA SEQUENCE PRAEGDPYYP VPRPENAELY KKYEALADAA QDVTFVGRLA TYRYYNMDQV DATA SEQUENCE VAQALATFRR LQGQ 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.544 174.600 -0.093 0.000 1.055 27 S CA 0.000 58.143 58.200 -0.095 0.000 1.107 27 S CB 0.000 63.153 63.200 -0.079 0.000 0.593 28 K N 0.996 121.331 120.400 -0.107 0.000 2.450 28 K HA 0.500 4.821 4.320 0.002 0.000 0.206 28 K C 0.929 177.475 176.600 -0.089 0.000 1.148 28 K CA 0.700 56.943 56.287 -0.073 0.000 1.014 28 K CB 1.458 33.932 32.500 -0.043 0.000 0.966 28 K HN 0.931 nan 8.250 nan 0.000 0.566 29 G N 0.283 108.966 108.800 -0.195 0.000 2.360 29 G HA2 0.310 4.271 3.960 0.002 0.000 0.276 29 G HA3 0.310 4.271 3.960 0.002 0.000 0.276 29 G C -1.755 172.914 174.900 -0.386 0.000 1.256 29 G CA -0.888 44.086 45.100 -0.210 0.000 0.890 29 G HN -0.057 nan 8.290 nan 0.000 0.486 30 F N 0.072 120.098 119.950 0.128 0.000 2.579 30 F HA 0.490 5.018 4.527 0.002 0.000 0.324 30 F C 0.952 176.828 175.800 0.126 0.000 1.058 30 F CA -0.711 57.370 58.000 0.134 0.000 0.944 30 F CB 2.145 41.238 39.000 0.155 0.000 1.245 30 F HN 0.369 nan 8.300 nan 0.000 0.477 31 D N 0.090 120.679 120.400 0.316 0.000 2.123 31 D HA -0.098 4.543 4.640 0.002 0.000 0.200 31 D C -0.484 175.823 176.300 0.011 0.000 0.976 31 D CA 1.840 55.925 54.000 0.141 0.000 0.831 31 D CB 0.065 40.983 40.800 0.196 0.000 0.974 31 D HN 0.288 nan 8.370 nan 0.000 0.469 32 Y N -0.338 120.120 120.300 0.264 0.000 2.406 32 Y HA 0.354 4.905 4.550 0.002 0.000 0.340 32 Y C -0.571 175.349 175.900 0.032 0.000 0.975 32 Y CA -1.188 57.023 58.100 0.186 0.000 1.056 32 Y CB 2.030 40.571 38.460 0.135 0.000 1.210 32 Y HN -0.250 nan 8.280 nan 0.000 0.448 33 L N 5.523 126.757 121.223 0.018 0.000 2.262 33 L HA 0.572 4.913 4.340 0.002 0.000 0.288 33 L C -1.145 175.592 176.870 -0.221 0.000 1.035 33 L CA -0.329 54.321 54.840 -0.317 0.000 0.820 33 L CB 0.011 41.493 42.059 -0.961 0.000 1.204 33 L HN 0.509 nan 8.230 nan 0.000 0.424 34 I N 6.106 126.572 120.570 -0.172 0.000 2.304 34 I HA 0.262 4.433 4.170 0.002 0.000 0.291 34 I C -0.467 175.528 176.117 -0.204 0.000 1.018 34 I CA -0.817 60.392 61.300 -0.153 0.000 1.260 34 I CB 1.496 39.426 38.000 -0.117 0.000 1.390 34 I HN 0.266 nan 8.210 nan 0.000 0.475 35 V N 5.912 125.683 119.914 -0.238 0.000 2.334 35 V HA 0.696 4.817 4.120 0.002 0.000 0.267 35 V C 0.546 176.455 176.094 -0.307 0.000 1.040 35 V CA -0.352 61.789 62.300 -0.264 0.000 0.866 35 V CB 0.342 31.971 31.823 -0.324 0.000 1.019 35 V HN 1.080 nan 8.190 nan 0.000 0.468 36 G N 4.051 112.703 108.800 -0.246 0.000 3.069 36 G HA2 0.313 4.274 3.960 0.002 0.000 0.686 36 G HA3 0.313 4.274 3.960 0.002 0.000 0.686 36 G C -0.139 174.629 174.900 -0.220 0.000 1.161 36 G CA -0.238 44.712 45.100 -0.250 0.000 0.804 36 G HN 1.383 nan 8.290 nan 0.000 0.608 37 A N 1.490 124.161 122.820 -0.248 0.000 2.574 37 A HA 0.772 5.093 4.320 0.002 0.000 0.283 37 A C 1.493 178.855 177.584 -0.371 0.000 1.270 37 A CA 1.223 53.101 52.037 -0.265 0.000 0.945 37 A CB -0.134 18.702 19.000 -0.274 0.000 1.127 37 A HN 2.169 nan 8.150 nan 0.000 0.522 38 G N -1.292 107.335 108.800 -0.288 0.000 2.525 38 G HA2 0.340 4.301 3.960 0.002 0.000 0.276 38 G HA3 0.340 4.301 3.960 0.002 0.000 0.276 38 G C 0.617 175.504 174.900 -0.020 0.000 1.388 38 G CA -0.392 44.551 45.100 -0.261 0.000 1.050 38 G HN 0.174 nan 8.290 nan 0.000 0.520 39 F N 0.593 120.682 119.950 0.232 0.000 2.120 39 F HA -0.169 4.359 4.527 0.002 0.000 0.300 39 F C 3.015 178.902 175.800 0.146 0.000 1.095 39 F CA 1.935 60.119 58.000 0.307 0.000 1.249 39 F CB -0.175 38.976 39.000 0.252 0.000 0.995 39 F HN 0.354 nan 8.300 nan 0.000 0.480 40 A N 0.100 123.075 122.820 0.258 0.000 1.855 40 A HA -0.047 4.274 4.320 0.002 0.000 0.215 40 A C 2.547 180.164 177.584 0.055 0.000 1.191 40 A CA 1.744 53.864 52.037 0.138 0.000 0.613 40 A CB -1.610 17.444 19.000 0.089 0.000 0.829 40 A HN 0.391 nan 8.150 nan 0.000 0.442 41 G N -0.788 108.008 108.800 -0.008 0.000 2.421 41 G HA2 -0.146 3.815 3.960 0.002 0.000 0.216 41 G HA3 -0.146 3.815 3.960 0.002 0.000 0.216 41 G C 1.827 176.701 174.900 -0.044 0.000 1.171 41 G CA 1.385 46.447 45.100 -0.063 0.000 0.775 41 G HN 0.487 nan 8.290 nan 0.000 0.543 42 S N -0.120 115.578 115.700 -0.004 0.000 2.383 42 S HA -0.066 4.405 4.470 0.002 0.000 0.227 42 S C 2.460 177.057 174.600 -0.005 0.000 1.026 42 S CA 0.967 59.171 58.200 0.008 0.000 0.981 42 S CB -0.129 63.150 63.200 0.132 0.000 0.818 42 S HN 0.170 nan 8.310 nan 0.000 0.472 43 V N 1.857 121.803 119.914 0.054 0.000 2.427 43 V HA -0.099 4.022 4.120 0.002 0.000 0.248 43 V C 2.099 178.154 176.094 -0.064 0.000 1.051 43 V CA 1.376 63.700 62.300 0.041 0.000 1.048 43 V CB -0.574 31.291 31.823 0.069 0.000 0.666 43 V HN 0.402 nan 8.190 nan 0.000 0.456 44 L N -0.200 120.984 121.223 -0.065 0.000 2.109 44 L HA -0.083 4.258 4.340 0.002 0.000 0.207 44 L C 2.695 179.475 176.870 -0.150 0.000 1.086 44 L CA 1.324 56.098 54.840 -0.110 0.000 0.760 44 L CB -0.688 41.334 42.059 -0.062 0.000 0.910 44 L HN 0.339 nan 8.230 nan 0.000 0.437 45 A N -0.362 122.390 122.820 -0.114 0.000 1.883 45 A HA -0.260 4.061 4.320 0.002 0.000 0.217 45 A C 2.328 179.848 177.584 -0.107 0.000 1.186 45 A CA 1.936 53.910 52.037 -0.105 0.000 0.624 45 A CB -0.514 18.433 19.000 -0.089 0.000 0.822 45 A HN 0.403 nan 8.150 nan 0.000 0.444 46 E N -0.300 119.830 120.200 -0.118 0.000 2.106 46 E HA -0.171 4.180 4.350 0.002 0.000 0.192 46 E C 2.170 178.693 176.600 -0.128 0.000 0.984 46 E CA 0.694 57.032 56.400 -0.104 0.000 0.806 46 E CB -0.182 29.433 29.700 -0.142 0.000 0.750 46 E HN 0.417 nan 8.360 nan 0.000 0.458 47 R N 0.170 120.502 120.500 -0.281 0.000 2.057 47 R HA -0.060 4.281 4.340 0.002 0.000 0.229 47 R C 2.443 178.444 176.300 -0.498 0.000 1.136 47 R CA 0.470 56.161 56.100 -0.682 0.000 0.952 47 R CB -0.914 28.517 30.300 -1.449 0.000 0.848 47 R HN 0.216 nan 8.270 nan 0.000 0.430 48 L N 0.845 121.923 121.223 -0.241 0.000 2.012 48 L HA -0.107 4.235 4.340 0.002 0.000 0.210 48 L C 2.499 179.401 176.870 0.053 0.000 1.073 48 L CA 2.028 56.885 54.840 0.029 0.000 0.748 48 L CB -1.626 40.330 42.059 -0.171 0.000 0.891 48 L HN 0.158 nan 8.230 nan 0.000 0.431 49 A N -0.529 122.293 122.820 0.003 0.000 1.933 49 A HA -0.196 4.125 4.320 0.002 0.000 0.218 49 A C 2.401 180.017 177.584 0.052 0.000 1.175 49 A CA 1.873 53.936 52.037 0.043 0.000 0.628 49 A CB -0.768 18.246 19.000 0.023 0.000 0.814 49 A HN 0.570 nan 8.150 nan 0.000 0.444 50 S N -0.061 115.657 115.700 0.030 0.000 2.547 50 S HA -0.026 4.445 4.470 0.002 0.000 0.235 50 S C 1.243 175.894 174.600 0.086 0.000 0.980 50 S CA 1.164 59.394 58.200 0.049 0.000 0.941 50 S CB -0.520 62.701 63.200 0.034 0.000 0.763 50 S HN 0.968 nan 8.310 nan 0.000 0.532 51 S N -0.884 114.888 115.700 0.120 0.000 2.741 51 S HA 0.608 5.080 4.470 0.002 0.000 0.247 51 S C 1.154 175.834 174.600 0.134 0.000 1.050 51 S CA 0.093 58.384 58.200 0.152 0.000 1.025 51 S CB -0.092 63.254 63.200 0.244 0.000 0.897 51 S HN 1.332 nan 8.310 nan 0.000 0.508 52 G N 0.917 109.784 108.800 0.113 0.000 2.176 52 G HA2 -0.220 3.741 3.960 0.002 0.000 0.253 52 G HA3 -0.220 3.741 3.960 0.002 0.000 0.253 52 G C -0.075 174.903 174.900 0.130 0.000 0.979 52 G CA -0.126 45.038 45.100 0.106 0.000 0.641 52 G HN 0.549 nan 8.290 nan 0.000 0.530 53 Q N 0.421 120.320 119.800 0.166 0.000 2.327 53 Q HA 0.390 4.731 4.340 0.002 0.000 0.254 53 Q C 0.636 176.766 176.000 0.217 0.000 0.952 53 Q CA -0.058 55.881 55.803 0.227 0.000 0.884 53 Q CB 0.700 29.635 28.738 0.329 0.000 1.224 53 Q HN 0.493 nan 8.270 nan 0.000 0.422 54 R N 1.133 121.783 120.500 0.250 0.000 2.202 54 R HA 0.382 4.723 4.340 0.002 0.000 0.334 54 R C -0.631 175.922 176.300 0.420 0.000 1.036 54 R CA -0.343 55.933 56.100 0.292 0.000 0.878 54 R CB 0.653 31.093 30.300 0.234 0.000 1.067 54 R HN 0.250 nan 8.270 nan 0.000 0.457 55 V N 5.166 125.264 119.914 0.306 0.000 2.459 55 V HA 0.262 4.383 4.120 0.002 0.000 0.295 55 V C -0.574 175.464 176.094 -0.093 0.000 1.029 55 V CA -0.927 61.465 62.300 0.153 0.000 0.874 55 V CB 1.754 33.617 31.823 0.066 0.000 0.985 55 V HN 0.472 nan 8.190 nan 0.000 0.438 56 L N 6.859 127.820 121.223 -0.437 0.000 2.295 56 L HA 0.622 4.963 4.340 0.002 0.000 0.281 56 L C -0.615 176.043 176.870 -0.353 0.000 1.018 56 L CA 0.060 54.493 54.840 -0.678 0.000 0.841 56 L CB 0.891 42.123 42.059 -1.379 0.000 1.218 56 L HN 0.665 nan 8.230 nan 0.000 0.424 57 I N 5.282 125.710 120.570 -0.236 0.000 2.359 57 I HA 0.567 4.738 4.170 0.002 0.000 0.294 57 I C -1.137 174.872 176.117 -0.179 0.000 0.987 57 I CA -0.467 60.721 61.300 -0.187 0.000 1.225 57 I CB 1.558 39.471 38.000 -0.145 0.000 1.366 57 I HN 0.499 nan 8.210 nan 0.000 0.466 58 V N 7.415 127.223 119.914 -0.176 0.000 2.823 58 V HA 0.619 4.740 4.120 0.002 0.000 0.312 58 V C -1.344 174.659 176.094 -0.151 0.000 1.072 58 V CA -0.286 61.924 62.300 -0.149 0.000 0.937 58 V CB 2.136 33.882 31.823 -0.127 0.000 1.013 58 V HN 0.808 nan 8.190 nan 0.000 0.430 59 D N 3.269 123.579 120.400 -0.150 0.000 2.927 59 D HA 0.300 4.942 4.640 0.002 0.000 0.219 59 D C 0.539 176.745 176.300 -0.156 0.000 1.248 59 D CA -0.499 53.394 54.000 -0.178 0.000 0.861 59 D CB 2.293 42.939 40.800 -0.257 0.000 1.677 59 D HN 0.701 nan 8.370 nan 0.000 0.511 60 R N 2.160 122.581 120.500 -0.132 0.000 2.280 60 R HA 0.108 4.449 4.340 0.002 0.000 0.207 60 R C 0.413 176.625 176.300 -0.145 0.000 1.043 60 R CA 0.171 56.208 56.100 -0.105 0.000 1.006 60 R CB 0.293 30.556 30.300 -0.061 0.000 0.885 60 R HN 0.103 nan 8.270 nan 0.000 0.467 61 R N 1.312 121.668 120.500 -0.240 0.000 2.615 61 R HA 0.139 4.480 4.340 0.002 0.000 0.270 61 R C -1.884 174.209 176.300 -0.345 0.000 1.081 61 R CA -1.821 54.075 56.100 -0.340 0.000 1.154 61 R CB 0.546 30.468 30.300 -0.629 0.000 1.063 61 R HN 0.014 nan 8.270 nan 0.000 0.519 62 P HA 0.052 nan 4.420 nan 0.000 0.255 62 P C -1.305 175.901 177.300 -0.157 0.000 1.301 62 P CA 0.458 63.465 63.100 -0.155 0.000 0.817 62 P CB 0.047 31.716 31.700 -0.050 0.000 1.259 63 H N -1.939 116.963 119.070 -0.280 0.000 3.014 63 H HA 0.532 5.089 4.556 0.002 0.000 0.337 63 H C -0.245 174.857 175.328 -0.376 0.000 1.320 63 H CA -1.434 54.378 56.048 -0.393 0.000 1.128 63 H CB 0.140 29.386 29.762 -0.860 0.000 1.862 63 H HN -0.178 nan 8.280 nan 0.000 0.536 64 I N -1.778 118.730 120.570 -0.102 0.000 3.223 64 I HA 0.712 4.883 4.170 0.002 0.000 0.317 64 I C 1.153 177.131 176.117 -0.230 0.000 1.050 64 I CA -0.439 60.739 61.300 -0.204 0.000 1.069 64 I CB 0.917 38.809 38.000 -0.180 0.000 1.406 64 I HN 1.123 nan 8.210 nan 0.000 0.596 65 G N 0.282 108.617 108.800 -0.776 0.000 2.195 65 G HA2 -0.008 3.953 3.960 0.002 0.000 0.246 65 G HA3 -0.008 3.953 3.960 0.002 0.000 0.246 65 G C 0.916 175.348 174.900 -0.781 0.000 0.984 65 G CA 0.215 44.448 45.100 -1.445 0.000 0.633 65 G HN 2.136 nan 8.290 nan 0.000 0.525 66 G N 0.682 109.225 108.800 -0.428 0.000 2.596 66 G HA2 -0.361 3.600 3.960 0.002 0.000 0.295 66 G HA3 -0.361 3.600 3.960 0.002 0.000 0.295 66 G C 0.841 175.605 174.900 -0.226 0.000 1.240 66 G CA 0.909 45.838 45.100 -0.285 0.000 0.985 66 G HN 1.077 nan 8.290 nan 0.000 0.555 67 N N 1.204 119.772 118.700 -0.220 0.000 2.453 67 N HA 0.130 4.871 4.740 0.002 0.000 0.183 67 N C 2.150 177.444 175.510 -0.359 0.000 1.041 67 N CA 1.587 54.489 53.050 -0.246 0.000 0.900 67 N CB -0.346 38.166 38.487 0.043 0.000 0.961 67 N HN 0.924 nan 8.380 nan 0.000 0.443 68 A N -0.420 122.175 122.820 -0.374 0.000 2.275 68 A HA 0.010 4.331 4.320 0.002 0.000 0.212 68 A C 0.367 177.711 177.584 -0.400 0.000 1.201 68 A CA -0.450 51.189 52.037 -0.664 0.000 0.843 68 A CB -0.519 18.328 19.000 -0.254 0.000 0.873 68 A HN 0.304 nan 8.150 nan 0.000 0.492 69 Y N 2.705 122.819 120.300 -0.310 0.000 2.810 69 Y HA 0.243 4.794 4.550 0.002 0.000 0.332 69 Y C -0.065 175.684 175.900 -0.252 0.000 1.243 69 Y CA -0.196 57.758 58.100 -0.243 0.000 1.537 69 Y CB 0.260 38.539 38.460 -0.300 0.000 1.265 69 Y HN 0.525 nan 8.280 nan 0.000 0.572 70 D N 4.543 124.490 120.400 -0.756 0.000 2.450 70 D HA 0.624 5.265 4.640 0.002 0.000 0.238 70 D C -0.957 174.745 176.300 -0.997 0.000 1.020 70 D CA -0.504 53.063 54.000 -0.722 0.000 1.010 70 D CB 1.239 41.880 40.800 -0.265 0.000 1.342 70 D HN 0.766 nan 8.370 nan 0.000 0.530 71 C N -2.450 116.426 119.300 -0.706 0.000 3.275 71 C HA 0.642 5.103 4.460 0.002 0.000 0.340 71 C C -1.583 173.138 174.990 -0.449 0.000 1.366 71 C CA -1.171 57.540 59.018 -0.512 0.000 1.227 71 C CB -0.189 27.297 27.740 -0.424 0.000 1.512 71 C HN 0.618 nan 8.230 nan 0.000 0.461 72 Y N 2.325 122.510 120.300 -0.191 0.000 2.327 72 Y HA 0.460 5.011 4.550 0.002 0.000 0.336 72 Y C 1.043 176.862 175.900 -0.136 0.000 1.035 72 Y CA 0.699 58.714 58.100 -0.142 0.000 1.165 72 Y CB 0.845 39.256 38.460 -0.083 0.000 1.181 72 Y HN 0.865 nan 8.280 nan 0.000 0.494 73 D N 0.194 120.572 120.400 -0.038 0.000 2.447 73 D HA -0.007 4.634 4.640 0.002 0.000 0.265 73 D C 0.385 176.689 176.300 0.007 0.000 1.250 73 D CA -0.266 53.697 54.000 -0.062 0.000 1.046 73 D CB 0.489 41.217 40.800 -0.119 0.000 1.095 73 D HN 0.410 nan 8.370 nan 0.000 0.555 74 D N -0.859 119.537 120.400 -0.007 0.000 2.221 74 D HA -0.077 4.564 4.640 0.002 0.000 0.204 74 D C 1.555 177.880 176.300 0.041 0.000 0.982 74 D CA 1.697 55.706 54.000 0.014 0.000 0.857 74 D CB -0.380 40.423 40.800 0.005 0.000 0.934 74 D HN 0.532 nan 8.370 nan 0.000 0.475 75 A N -0.622 122.222 122.820 0.041 0.000 2.251 75 A HA 0.442 4.763 4.320 0.002 0.000 0.209 75 A C 1.728 179.437 177.584 0.208 0.000 1.187 75 A CA 0.903 52.995 52.037 0.091 0.000 0.823 75 A CB -0.069 18.943 19.000 0.020 0.000 0.846 75 A HN 0.218 nan 8.150 nan 0.000 0.486 76 G N -1.262 107.644 108.800 0.177 0.000 2.136 76 G HA2 -0.183 3.778 3.960 0.002 0.000 0.242 76 G HA3 -0.183 3.778 3.960 0.002 0.000 0.242 76 G C 0.080 175.208 174.900 0.381 0.000 0.989 76 G CA 0.146 45.414 45.100 0.280 0.000 0.682 76 G HN 0.775 nan 8.290 nan 0.000 0.522 77 V N 1.211 121.183 119.914 0.097 0.000 2.465 77 V HA 0.555 4.676 4.120 0.002 0.000 0.279 77 V C 0.840 176.819 176.094 -0.191 0.000 1.045 77 V CA -0.818 61.440 62.300 -0.071 0.000 0.938 77 V CB 1.632 33.303 31.823 -0.252 0.000 0.986 77 V HN 0.423 nan 8.190 nan 0.000 0.467 78 L N 7.787 128.781 121.223 -0.382 0.000 2.433 78 L HA 0.441 4.782 4.340 0.002 0.000 0.275 78 L C -0.219 176.312 176.870 -0.565 0.000 1.128 78 L CA 0.681 55.069 54.840 -0.754 0.000 0.875 78 L CB -0.241 41.404 42.059 -0.690 0.000 1.171 78 L HN 0.649 nan 8.230 nan 0.000 0.463 79 I N 0.855 121.012 120.570 -0.689 0.000 3.108 79 I HA 0.538 4.709 4.170 0.002 0.000 0.312 79 I C -0.927 174.646 176.117 -0.907 0.000 1.095 79 I CA -0.743 59.869 61.300 -1.146 0.000 1.000 79 I CB 2.075 39.520 38.000 -0.925 0.000 1.229 79 I HN 0.524 nan 8.210 nan 0.000 0.454 80 H N 2.017 120.237 119.070 -1.417 0.000 2.673 80 H HA 0.311 4.868 4.556 0.002 0.000 0.293 80 H C -2.131 172.964 175.328 -0.389 0.000 1.065 80 H CA -1.912 53.782 56.048 -0.590 0.000 1.236 80 H CB 1.268 30.969 29.762 -0.101 0.000 1.389 80 H HN 0.444 nan 8.280 nan 0.000 0.481 81 P HA -0.153 nan 4.420 nan 0.000 0.220 81 P C -0.113 176.701 177.300 -0.811 0.000 1.148 81 P CA 1.255 64.029 63.100 -0.543 0.000 0.803 81 P CB 0.132 31.379 31.700 -0.755 0.000 0.782 82 Y N -0.695 119.328 120.300 -0.462 0.000 2.801 82 Y HA 0.526 5.077 4.550 0.002 0.000 0.318 82 Y C 1.355 176.905 175.900 -0.583 0.000 1.073 82 Y CA -0.210 57.330 58.100 -0.933 0.000 1.360 82 Y CB -0.181 38.057 38.460 -0.369 0.000 1.220 82 Y HN -0.081 nan 8.280 nan 0.000 0.536 83 G N 1.305 109.969 108.800 -0.227 0.000 2.707 83 G HA2 -0.161 3.800 3.960 0.002 0.000 0.686 83 G HA3 -0.161 3.800 3.960 0.002 0.000 0.686 83 G C -3.084 172.168 174.900 0.586 0.000 1.315 83 G CA -1.487 43.788 45.100 0.292 0.000 0.832 83 G HN 0.005 nan 8.290 nan 0.000 0.573 84 P HA 0.216 nan 4.420 nan 0.000 0.265 84 P C -0.705 176.870 177.300 0.457 0.000 1.222 84 P CA 0.496 63.900 63.100 0.507 0.000 0.767 84 P CB 0.208 32.007 31.700 0.165 0.000 0.801 85 H N 3.358 122.770 119.070 0.571 0.000 2.673 85 H HA 0.431 4.988 4.556 0.002 0.000 0.293 85 H C -0.073 175.527 175.328 0.453 0.000 1.065 85 H CA -0.377 55.845 56.048 0.290 0.000 1.236 85 H CB 0.152 29.847 29.762 -0.111 0.000 1.389 85 H HN 0.262 nan 8.280 nan 0.000 0.481 86 I N 3.597 124.424 120.570 0.428 0.000 2.339 86 I HA 0.129 4.300 4.170 0.002 0.000 0.290 86 I C -0.269 176.129 176.117 0.469 0.000 0.994 86 I CA -0.541 61.043 61.300 0.474 0.000 1.191 86 I CB 0.502 38.694 38.000 0.319 0.000 1.343 86 I HN 0.393 nan 8.210 nan 0.000 0.458 87 F N 7.381 127.592 119.950 0.435 0.000 2.412 87 F HA 0.526 5.054 4.527 0.002 0.000 0.348 87 F C 0.118 176.013 175.800 0.160 0.000 1.102 87 F CA 0.210 58.386 58.000 0.293 0.000 1.196 87 F CB 0.239 39.507 39.000 0.447 0.000 1.144 87 F HN 0.686 nan 8.300 nan 0.000 0.541 88 H N 1.269 119.671 119.070 -1.114 0.000 3.112 88 H HA 0.586 5.143 4.556 0.002 0.000 0.347 88 H C -1.351 173.435 175.328 -0.903 0.000 1.188 88 H CA -0.989 54.555 56.048 -0.840 0.000 1.240 88 H CB 1.663 30.918 29.762 -0.844 0.000 1.920 88 H HN 0.622 nan 8.280 nan 0.000 0.535 89 T N 0.904 115.181 114.554 -0.463 0.000 2.840 89 T HA 0.250 4.601 4.350 0.002 0.000 0.317 89 T C -0.493 174.196 174.700 -0.019 0.000 1.401 89 T CA -0.771 61.158 62.100 -0.285 0.000 1.028 89 T CB 1.365 70.104 68.868 -0.215 0.000 1.317 89 T HN 0.745 nan 8.240 nan 0.000 0.495 90 N N 1.009 119.706 118.700 -0.004 0.000 2.299 90 N HA 0.107 4.848 4.740 0.002 0.000 0.187 90 N C 0.307 175.918 175.510 0.167 0.000 1.099 90 N CA 0.119 53.204 53.050 0.059 0.000 0.867 90 N CB 0.655 39.137 38.487 -0.009 0.000 0.974 90 N HN 0.473 nan 8.380 nan 0.000 0.477 91 S N 1.022 116.792 115.700 0.116 0.000 2.422 91 S HA 0.132 4.603 4.470 0.002 0.000 0.283 91 S C 1.277 175.911 174.600 0.056 0.000 1.163 91 S CA -0.476 57.779 58.200 0.092 0.000 1.054 91 S CB 0.988 64.208 63.200 0.033 0.000 0.967 91 S HN 0.121 nan 8.310 nan 0.000 0.499 92 K N 3.772 124.215 120.400 0.073 0.000 2.063 92 K HA -0.153 4.168 4.320 0.002 0.000 0.208 92 K C 0.942 177.521 176.600 -0.036 0.000 1.048 92 K CA 1.920 58.149 56.287 -0.097 0.000 0.928 92 K CB -0.105 32.439 32.500 0.073 0.000 0.713 92 K HN 0.644 nan 8.250 nan 0.000 0.442 93 D N 0.215 120.633 120.400 0.029 0.000 2.092 93 D HA -0.165 4.476 4.640 0.002 0.000 0.193 93 D C 1.970 178.326 176.300 0.094 0.000 0.994 93 D CA 1.298 55.330 54.000 0.054 0.000 0.828 93 D CB -0.358 40.470 40.800 0.046 0.000 0.963 93 D HN 0.028 nan 8.370 nan 0.000 0.450 94 V N 0.687 120.660 119.914 0.098 0.000 2.343 94 V HA -0.235 3.886 4.120 0.002 0.000 0.247 94 V C 2.214 178.455 176.094 0.246 0.000 1.051 94 V CA 1.379 63.784 62.300 0.175 0.000 1.036 94 V CB -0.563 31.355 31.823 0.159 0.000 0.654 94 V HN 0.130 nan 8.190 nan 0.000 0.451 95 F N 0.819 120.756 119.950 -0.022 0.000 2.186 95 F HA -0.156 4.373 4.527 0.002 0.000 0.299 95 F C 2.419 178.195 175.800 -0.040 0.000 1.090 95 F CA 1.852 59.781 58.000 -0.119 0.000 1.307 95 F CB 0.044 38.695 39.000 -0.581 0.000 1.019 95 F HN 0.200 nan 8.300 nan 0.000 0.489 96 E N -1.139 119.025 120.200 -0.060 0.000 2.158 96 E HA -0.219 4.132 4.350 0.002 0.000 0.191 96 E C 1.779 178.340 176.600 -0.066 0.000 0.982 96 E CA 0.999 57.343 56.400 -0.093 0.000 0.823 96 E CB -0.386 29.305 29.700 -0.016 0.000 0.766 96 E HN 0.599 nan 8.360 nan 0.000 0.468 97 Y N 1.324 121.587 120.300 -0.062 0.000 2.114 97 Y HA -0.230 4.321 4.550 0.002 0.000 0.284 97 Y C 1.946 177.842 175.900 -0.007 0.000 1.143 97 Y CA 1.185 59.272 58.100 -0.021 0.000 1.135 97 Y CB -0.163 38.331 38.460 0.056 0.000 0.980 97 Y HN -0.037 nan 8.280 nan 0.000 0.499 98 L N -0.053 121.178 121.223 0.013 0.000 2.131 98 L HA -0.166 4.175 4.340 0.002 0.000 0.210 98 L C 2.479 179.226 176.870 -0.206 0.000 1.092 98 L CA 1.704 56.530 54.840 -0.023 0.000 0.759 98 L CB -1.415 40.712 42.059 0.113 0.000 0.903 98 L HN 0.195 nan 8.230 nan 0.000 0.435 99 S N -0.816 114.757 115.700 -0.212 0.000 2.465 99 S HA -0.155 4.316 4.470 0.002 0.000 0.241 99 S C 1.948 176.299 174.600 -0.416 0.000 1.000 99 S CA 0.720 58.775 58.200 -0.240 0.000 0.964 99 S CB -0.239 62.852 63.200 -0.182 0.000 0.763 99 S HN 0.436 nan 8.310 nan 0.000 0.512 100 R N -0.279 119.834 120.500 -0.645 0.000 2.189 100 R HA 0.019 4.360 4.340 0.002 0.000 0.223 100 R C 0.631 176.295 176.300 -1.060 0.000 1.092 100 R CA 1.022 56.547 56.100 -0.958 0.000 0.989 100 R CB -0.158 29.283 30.300 -1.432 0.000 0.876 100 R HN 0.463 nan 8.270 nan 0.000 0.457 101 F N -1.353 118.365 119.950 -0.386 0.000 2.688 101 F HA 0.283 4.811 4.527 0.002 0.000 0.310 101 F C 0.366 175.925 175.800 -0.401 0.000 1.098 101 F CA -0.337 57.446 58.000 -0.361 0.000 1.228 101 F CB 1.289 40.062 39.000 -0.378 0.000 1.042 101 F HN -0.240 nan 8.300 nan 0.000 0.557 102 T N -0.304 114.007 114.554 -0.404 0.000 2.893 102 T HA 0.261 4.612 4.350 0.002 0.000 0.337 102 T C -1.012 173.247 174.700 -0.736 0.000 1.587 102 T CA -0.584 61.182 62.100 -0.556 0.000 1.066 102 T CB 1.356 69.770 68.868 -0.756 0.000 1.414 102 T HN 0.067 nan 8.240 nan 0.000 0.488 103 E N 1.067 120.917 120.200 -0.584 0.000 2.359 103 E HA 0.540 4.891 4.350 0.002 0.000 0.255 103 E C -0.972 175.215 176.600 -0.690 0.000 1.191 103 E CA -0.537 55.559 56.400 -0.506 0.000 0.952 103 E CB 0.936 30.487 29.700 -0.249 0.000 1.152 103 E HN 0.502 nan 8.360 nan 0.000 0.496 104 W N 0.195 121.445 121.300 -0.083 0.000 2.819 104 W HA 0.397 5.058 4.660 0.002 0.000 0.337 104 W C -0.264 176.260 176.519 0.009 0.000 1.077 104 W CA -0.794 56.544 57.345 -0.010 0.000 1.226 104 W CB 1.293 30.835 29.460 0.137 0.000 1.419 104 W HN 0.117 nan 8.180 nan 0.000 0.502 105 R N 3.433 124.110 120.500 0.296 0.000 2.246 105 R HA 0.392 4.733 4.340 0.002 0.000 0.332 105 R C -2.559 173.921 176.300 0.300 0.000 0.974 105 R CA -1.792 54.436 56.100 0.214 0.000 0.837 105 R CB 1.037 31.405 30.300 0.113 0.000 1.145 105 R HN 0.095 nan 8.270 nan 0.000 0.467 106 P HA -0.044 nan 4.420 nan 0.000 0.265 106 P C -1.601 175.889 177.300 0.316 0.000 1.193 106 P CA 0.426 63.670 63.100 0.240 0.000 0.765 106 P CB 0.167 31.965 31.700 0.163 0.000 0.823 107 Y N 1.444 121.838 120.300 0.156 0.000 2.357 107 Y HA 0.266 4.817 4.550 0.002 0.000 0.319 107 Y C -1.567 174.443 175.900 0.185 0.000 1.225 107 Y CA -0.524 57.680 58.100 0.173 0.000 1.095 107 Y CB 1.541 40.127 38.460 0.210 0.000 1.302 107 Y HN 0.308 nan 8.280 nan 0.000 0.429 108 Q N 5.140 124.679 119.800 -0.435 0.000 2.413 108 Q HA 0.210 4.551 4.340 0.002 0.000 0.258 108 Q C -1.267 174.382 176.000 -0.585 0.000 1.037 108 Q CA -0.980 54.612 55.803 -0.352 0.000 0.764 108 Q CB 1.147 29.804 28.738 -0.135 0.000 1.217 108 Q HN 0.681 nan 8.270 nan 0.000 0.490 109 H N 2.689 121.376 119.070 -0.639 0.000 3.001 109 H HA 0.102 4.659 4.556 0.002 0.000 0.334 109 H C -0.676 174.525 175.328 -0.211 0.000 1.034 109 H CA 0.874 56.688 56.048 -0.391 0.000 1.420 109 H CB 0.443 30.250 29.762 0.076 0.000 1.405 109 H HN 0.408 nan 8.280 nan 0.000 0.593 110 R N 3.503 123.701 120.500 -0.504 0.000 2.561 110 R HA 0.505 4.846 4.340 0.002 0.000 0.297 110 R C -1.281 174.659 176.300 -0.601 0.000 0.969 110 R CA -1.075 54.766 56.100 -0.431 0.000 0.879 110 R CB 2.133 32.289 30.300 -0.239 0.000 1.178 110 R HN 0.310 nan 8.270 nan 0.000 0.445 111 V N 3.972 123.600 119.914 -0.477 0.000 2.628 111 V HA 0.440 4.561 4.120 0.002 0.000 0.306 111 V C -0.804 175.135 176.094 -0.257 0.000 1.045 111 V CA -0.937 61.094 62.300 -0.448 0.000 0.905 111 V CB 1.913 33.388 31.823 -0.580 0.000 0.997 111 V HN 0.434 nan 8.190 nan 0.000 0.436 112 L N 3.476 124.555 121.223 -0.239 0.000 2.322 112 L HA 0.809 5.150 4.340 0.002 0.000 0.281 112 L C 0.290 177.053 176.870 -0.177 0.000 1.014 112 L CA -0.510 54.226 54.840 -0.173 0.000 0.815 112 L CB 1.511 43.469 42.059 -0.167 0.000 1.247 112 L HN 0.808 nan 8.230 nan 0.000 0.421 113 A N 2.003 124.763 122.820 -0.101 0.000 2.292 113 A HA 0.573 4.894 4.320 0.002 0.000 0.319 113 A C 0.044 177.533 177.584 -0.158 0.000 1.206 113 A CA -0.391 51.582 52.037 -0.108 0.000 0.835 113 A CB 0.714 19.756 19.000 0.071 0.000 1.164 113 A HN 0.659 nan 8.150 nan 0.000 0.505 114 S N 2.447 117.971 115.700 -0.294 0.000 2.405 114 S HA 0.481 4.952 4.470 0.002 0.000 0.291 114 S C -0.595 173.893 174.600 -0.187 0.000 1.137 114 S CA -0.262 57.791 58.200 -0.245 0.000 1.061 114 S CB -0.522 62.460 63.200 -0.362 0.000 1.001 114 S HN 0.779 nan 8.310 nan 0.000 0.507 115 V N 5.036 124.838 119.914 -0.187 0.000 2.668 115 V HA 0.360 4.481 4.120 0.002 0.000 0.304 115 V C -0.625 175.366 176.094 -0.172 0.000 1.071 115 V CA -0.794 61.346 62.300 -0.266 0.000 0.894 115 V CB 1.766 33.259 31.823 -0.550 0.000 1.008 115 V HN 0.913 nan 8.190 nan 0.000 0.425 116 D N 3.850 124.168 120.400 -0.136 0.000 2.708 116 D HA -0.170 4.471 4.640 0.002 0.000 0.236 116 D C 1.335 177.603 176.300 -0.054 0.000 1.146 116 D CA 2.083 56.032 54.000 -0.085 0.000 0.662 116 D CB -1.076 39.670 40.800 -0.089 0.000 1.059 116 D HN 1.550 nan 8.370 nan 0.000 0.428 117 G N -0.827 107.949 108.800 -0.039 0.000 2.166 117 G HA2 -0.367 3.594 3.960 0.002 0.000 0.260 117 G HA3 -0.367 3.594 3.960 0.002 0.000 0.260 117 G C 0.252 175.143 174.900 -0.015 0.000 0.986 117 G CA 0.997 46.090 45.100 -0.012 0.000 0.683 117 G HN 0.551 nan 8.290 nan 0.000 0.527 118 Q N -1.231 118.547 119.800 -0.037 0.000 2.359 118 Q HA 0.778 5.119 4.340 0.002 0.000 0.275 118 Q C -0.079 175.890 176.000 -0.051 0.000 1.082 118 Q CA -0.960 54.821 55.803 -0.036 0.000 0.849 118 Q CB 1.836 30.552 28.738 -0.038 0.000 1.377 118 Q HN 0.237 nan 8.270 nan 0.000 0.452 119 L N 2.277 123.471 121.223 -0.048 0.000 2.276 119 L HA 0.432 4.773 4.340 0.002 0.000 0.286 119 L C -1.281 175.562 176.870 -0.047 0.000 1.024 119 L CA -0.633 54.166 54.840 -0.067 0.000 0.826 119 L CB 0.523 42.536 42.059 -0.077 0.000 1.211 119 L HN 0.263 nan 8.230 nan 0.000 0.422 120 L N 5.527 126.739 121.223 -0.018 0.000 2.354 120 L HA 0.644 4.985 4.340 0.002 0.000 0.269 120 L C -2.264 174.605 176.870 -0.001 0.000 1.005 120 L CA -2.307 52.546 54.840 0.021 0.000 0.819 120 L CB 1.708 43.846 42.059 0.130 0.000 1.311 120 L HN 0.228 nan 8.230 nan 0.000 0.423 121 P HA 0.241 nan 4.420 nan 0.000 0.267 121 P C -0.977 176.245 177.300 -0.130 0.000 1.205 121 P CA 0.090 63.134 63.100 -0.093 0.000 0.765 121 P CB 0.590 32.230 31.700 -0.101 0.000 0.828 122 I N 5.197 125.698 120.570 -0.114 0.000 2.533 122 I HA 0.482 4.653 4.170 0.002 0.000 0.290 122 I C -2.594 173.485 176.117 -0.063 0.000 1.056 122 I CA -3.443 57.773 61.300 -0.140 0.000 1.057 122 I CB 2.006 39.947 38.000 -0.097 0.000 1.240 122 I HN 0.194 nan 8.210 nan 0.000 0.423 123 P HA 0.089 nan 4.420 nan 0.000 0.268 123 P C -0.211 176.954 177.300 -0.224 0.000 1.208 123 P CA 0.144 63.111 63.100 -0.221 0.000 0.777 123 P CB 0.477 32.029 31.700 -0.246 0.000 0.875 124 I N 2.072 122.482 120.570 -0.266 0.000 2.752 124 I HA -0.088 4.083 4.170 0.002 0.000 0.289 124 I C 1.272 177.325 176.117 -0.106 0.000 1.197 124 I CA 0.756 61.885 61.300 -0.285 0.000 1.432 124 I CB -0.489 37.338 38.000 -0.288 0.000 1.359 124 I HN 0.523 nan 8.210 nan 0.000 0.571 125 N N 5.831 124.488 118.700 -0.071 0.000 3.229 125 N HA 0.274 5.015 4.740 0.002 0.000 0.315 125 N C 0.355 175.869 175.510 0.006 0.000 1.520 125 N CA -0.903 52.140 53.050 -0.010 0.000 0.769 125 N CB 0.552 39.003 38.487 -0.060 0.000 1.766 125 N HN 0.442 nan 8.380 nan 0.000 0.618 126 L N -0.180 121.024 121.223 -0.032 0.000 2.013 126 L HA -0.173 4.168 4.340 0.002 0.000 0.212 126 L C 0.674 177.501 176.870 -0.073 0.000 1.073 126 L CA 2.189 56.984 54.840 -0.076 0.000 0.753 126 L CB -0.482 41.514 42.059 -0.104 0.000 0.890 126 L HN 0.536 nan 8.230 nan 0.000 0.432 127 D N -0.861 119.498 120.400 -0.067 0.000 2.144 127 D HA -0.149 4.492 4.640 0.002 0.000 0.199 127 D C 2.013 178.280 176.300 -0.056 0.000 0.984 127 D CA 1.716 55.679 54.000 -0.062 0.000 0.834 127 D CB -0.184 40.579 40.800 -0.061 0.000 0.955 127 D HN 0.373 nan 8.370 nan 0.000 0.465 128 T N 1.010 115.529 114.554 -0.058 0.000 2.635 128 T HA -0.131 4.220 4.350 0.002 0.000 0.267 128 T C 2.315 176.992 174.700 -0.039 0.000 1.040 128 T CA 1.155 63.222 62.100 -0.055 0.000 1.156 128 T CB -0.504 68.282 68.868 -0.138 0.000 0.863 128 T HN -0.013 nan 8.240 nan 0.000 0.430 129 V N 2.390 122.296 119.914 -0.014 0.000 2.295 129 V HA -0.182 3.939 4.120 0.002 0.000 0.246 129 V C 2.515 178.586 176.094 -0.039 0.000 1.049 129 V CA 1.619 63.925 62.300 0.010 0.000 1.024 129 V CB -0.694 31.133 31.823 0.007 0.000 0.648 129 V HN 0.416 nan 8.190 nan 0.000 0.447 130 N N 0.395 119.054 118.700 -0.068 0.000 2.069 130 N HA -0.151 4.590 4.740 0.002 0.000 0.191 130 N C 1.988 177.474 175.510 -0.040 0.000 1.031 130 N CA 1.552 54.565 53.050 -0.061 0.000 0.852 130 N CB -0.354 38.091 38.487 -0.071 0.000 1.018 130 N HN 0.491 nan 8.380 nan 0.000 0.423 131 R N 0.080 120.551 120.500 -0.049 0.000 2.090 131 R HA 0.004 4.345 4.340 0.002 0.000 0.228 131 R C 2.083 178.346 176.300 -0.062 0.000 1.110 131 R CA 0.463 56.537 56.100 -0.043 0.000 0.973 131 R CB -0.441 29.836 30.300 -0.038 0.000 0.869 131 R HN 0.119 nan 8.270 nan 0.000 0.440 132 L N -0.207 120.942 121.223 -0.123 0.000 2.046 132 L HA -0.171 4.170 4.340 0.002 0.000 0.208 132 L C 1.221 177.953 176.870 -0.231 0.000 1.077 132 L CA 1.844 56.537 54.840 -0.245 0.000 0.747 132 L CB -0.155 41.637 42.059 -0.445 0.000 0.896 132 L HN 0.110 nan 8.230 nan 0.000 0.432 133 Y N -0.614 119.691 120.300 0.007 0.000 2.467 133 Y HA 0.460 5.011 4.550 0.002 0.000 0.250 133 Y C 1.699 177.581 175.900 -0.030 0.000 1.155 133 Y CA -0.248 57.847 58.100 -0.009 0.000 1.249 133 Y CB -0.169 38.269 38.460 -0.038 0.000 1.146 133 Y HN 0.182 nan 8.280 nan 0.000 0.524 134 G N 1.088 109.937 108.800 0.082 0.000 2.198 134 G HA2 -0.278 3.683 3.960 0.002 0.000 0.257 134 G HA3 -0.278 3.683 3.960 0.002 0.000 0.257 134 G C -0.034 174.875 174.900 0.015 0.000 1.042 134 G CA 0.169 45.291 45.100 0.036 0.000 0.791 134 G HN 0.268 nan 8.290 nan 0.000 0.502 135 L N -0.678 120.545 121.223 -0.000 0.000 2.454 135 L HA 0.487 4.828 4.340 0.002 0.000 0.256 135 L C 1.026 177.859 176.870 -0.060 0.000 1.136 135 L CA -0.829 53.978 54.840 -0.055 0.000 0.804 135 L CB 0.678 42.658 42.059 -0.131 0.000 1.181 135 L HN 0.091 nan 8.230 nan 0.000 0.469 136 N N 1.411 120.069 118.700 -0.070 0.000 2.610 136 N HA 0.285 5.026 4.740 0.002 0.000 0.307 136 N C -0.858 174.610 175.510 -0.069 0.000 1.813 136 N CA -0.123 52.891 53.050 -0.059 0.000 0.901 136 N CB 0.731 39.195 38.487 -0.038 0.000 1.354 136 N HN 0.386 nan 8.380 nan 0.000 0.491 137 L N 1.171 122.331 121.223 -0.105 0.000 2.461 137 L HA 0.135 4.476 4.340 0.002 0.000 0.272 137 L C 1.570 178.390 176.870 -0.084 0.000 1.197 137 L CA 0.183 54.959 54.840 -0.107 0.000 0.836 137 L CB 0.322 42.272 42.059 -0.182 0.000 1.105 137 L HN 0.168 nan 8.230 nan 0.000 0.477 138 T N -1.606 112.919 114.554 -0.048 0.000 2.847 138 T HA 0.146 4.497 4.350 0.002 0.000 0.279 138 T C 1.135 175.756 174.700 -0.131 0.000 0.984 138 T CA -0.601 61.469 62.100 -0.050 0.000 0.988 138 T CB 1.483 70.395 68.868 0.074 0.000 1.040 138 T HN 0.531 nan 8.240 nan 0.000 0.528 139 S N 0.213 115.749 115.700 -0.272 0.000 2.400 139 S HA -0.039 4.432 4.470 0.002 0.000 0.232 139 S C 1.455 175.848 174.600 -0.345 0.000 1.025 139 S CA 1.219 59.197 58.200 -0.370 0.000 0.993 139 S CB -0.750 62.143 63.200 -0.512 0.000 0.808 139 S HN 0.666 nan 8.310 nan 0.000 0.478 140 F N 1.693 121.619 119.950 -0.040 0.000 2.186 140 F HA -0.066 4.462 4.527 0.002 0.000 0.299 140 F C 2.590 178.368 175.800 -0.036 0.000 1.090 140 F CA 0.820 58.802 58.000 -0.030 0.000 1.307 140 F CB -0.782 38.204 39.000 -0.024 0.000 1.019 140 F HN 0.209 nan 8.300 nan 0.000 0.489 141 Q N -0.393 119.472 119.800 0.108 0.000 2.123 141 Q HA -0.109 4.232 4.340 0.002 0.000 0.199 141 Q C 2.449 178.432 176.000 -0.028 0.000 0.966 141 Q CA 1.192 57.020 55.803 0.041 0.000 0.845 141 Q CB -0.551 28.198 28.738 0.019 0.000 0.907 141 Q HN 0.304 nan 8.270 nan 0.000 0.439 142 V N 1.228 121.063 119.914 -0.133 0.000 2.594 142 V HA -0.277 3.844 4.120 0.002 0.000 0.253 142 V C 2.102 177.987 176.094 -0.348 0.000 1.069 142 V CA 1.996 64.111 62.300 -0.308 0.000 1.082 142 V CB -0.178 31.379 31.823 -0.444 0.000 0.680 142 V HN 0.394 nan 8.190 nan 0.000 0.469 143 E N -0.051 120.075 120.200 -0.123 0.000 2.058 143 E HA -0.272 4.079 4.350 0.002 0.000 0.194 143 E C 2.101 178.740 176.600 0.065 0.000 0.997 143 E CA 1.992 58.407 56.400 0.026 0.000 0.801 143 E CB -0.169 29.568 29.700 0.061 0.000 0.746 143 E HN 0.773 nan 8.360 nan 0.000 0.450 144 E N -0.276 119.956 120.200 0.052 0.000 2.077 144 E HA -0.190 4.161 4.350 0.002 0.000 0.193 144 E C 1.954 178.594 176.600 0.067 0.000 0.989 144 E CA 1.038 57.474 56.400 0.060 0.000 0.800 144 E CB -0.309 29.427 29.700 0.059 0.000 0.746 144 E HN 0.328 nan 8.360 nan 0.000 0.452 145 F N 1.180 121.078 119.950 -0.087 0.000 2.126 145 F HA -0.230 4.298 4.527 0.002 0.000 0.299 145 F C 1.838 177.662 175.800 0.041 0.000 1.096 145 F CA 1.265 59.216 58.000 -0.083 0.000 1.255 145 F CB -0.138 38.752 39.000 -0.184 0.000 0.997 145 F HN -0.114 nan 8.300 nan 0.000 0.479 146 F N 0.958 120.892 119.950 -0.026 0.000 2.095 146 F HA -0.112 4.417 4.527 0.002 0.000 0.298 146 F C 2.710 178.408 175.800 -0.170 0.000 1.104 146 F CA 0.955 58.879 58.000 -0.127 0.000 1.232 146 F CB -1.766 37.242 39.000 0.014 0.000 0.987 146 F HN 0.095 nan 8.300 nan 0.000 0.475 147 A N -0.315 122.563 122.820 0.096 0.000 1.972 147 A HA -0.188 4.133 4.320 0.002 0.000 0.219 147 A C 2.376 179.931 177.584 -0.049 0.000 1.169 147 A CA 1.954 54.001 52.037 0.017 0.000 0.635 147 A CB -1.126 17.890 19.000 0.027 0.000 0.810 147 A HN 0.411 nan 8.150 nan 0.000 0.446 148 S N -0.274 115.366 115.700 -0.099 0.000 2.447 148 S HA -0.060 4.411 4.470 0.002 0.000 0.233 148 S C 1.451 175.942 174.600 -0.181 0.000 1.006 148 S CA 1.511 59.632 58.200 -0.132 0.000 0.957 148 S CB -0.565 62.554 63.200 -0.135 0.000 0.773 148 S HN 0.981 nan 8.310 nan 0.000 0.507 149 V N -2.118 117.650 119.914 -0.243 0.000 3.645 149 V HA 0.630 4.751 4.120 0.002 0.000 0.275 149 V C 1.030 177.052 176.094 -0.121 0.000 1.356 149 V CA -0.303 61.870 62.300 -0.211 0.000 1.051 149 V CB -1.007 30.621 31.823 -0.325 0.000 0.828 149 V HN 0.556 nan 8.190 nan 0.000 0.441 150 A N 1.230 123.989 122.820 -0.101 0.000 2.546 150 A HA 0.254 4.575 4.320 0.002 0.000 0.243 150 A C 0.348 177.883 177.584 -0.081 0.000 1.063 150 A CA 0.190 52.175 52.037 -0.087 0.000 0.757 150 A CB -0.302 18.656 19.000 -0.070 0.000 0.991 150 A HN 0.648 nan 8.150 nan 0.000 0.503 151 E N 1.485 121.630 120.200 -0.091 0.000 2.331 151 E HA 0.185 4.536 4.350 0.002 0.000 0.272 151 E C -0.227 176.325 176.600 -0.081 0.000 1.036 151 E CA -0.727 55.623 56.400 -0.084 0.000 0.864 151 E CB 0.751 30.392 29.700 -0.098 0.000 1.035 151 E HN 0.387 nan 8.360 nan 0.000 0.408 152 K N 1.648 122.009 120.400 -0.066 0.000 2.298 152 K HA 0.301 4.622 4.320 0.002 0.000 0.280 152 K C -0.996 175.566 176.600 -0.064 0.000 1.032 152 K CA -0.336 55.916 56.287 -0.059 0.000 0.958 152 K CB 1.166 33.638 32.500 -0.046 0.000 0.978 152 K HN 0.219 nan 8.250 nan 0.000 0.472 153 V N 3.346 123.223 119.914 -0.063 0.000 2.532 153 V HA 0.024 4.145 4.120 0.002 0.000 0.294 153 V C 0.966 177.030 176.094 -0.051 0.000 1.036 153 V CA -0.645 61.618 62.300 -0.062 0.000 0.876 153 V CB 1.565 33.341 31.823 -0.078 0.000 1.012 153 V HN 0.757 nan 8.190 nan 0.000 0.432 154 E N 3.527 123.701 120.200 -0.042 0.000 2.070 154 E HA -0.182 4.169 4.350 0.002 0.000 0.197 154 E C 0.880 177.459 176.600 -0.035 0.000 1.004 154 E CA 1.807 58.186 56.400 -0.035 0.000 0.805 154 E CB 0.227 29.909 29.700 -0.029 0.000 0.744 154 E HN 0.703 nan 8.360 nan 0.000 0.451 155 Q N -0.157 119.621 119.800 -0.037 0.000 2.290 155 Q HA 0.330 4.671 4.340 0.002 0.000 0.269 155 Q C -1.566 174.408 176.000 -0.043 0.000 1.016 155 Q CA -0.663 55.119 55.803 -0.036 0.000 0.754 155 Q CB 1.926 30.646 28.738 -0.029 0.000 1.247 155 Q HN 0.017 nan 8.270 nan 0.000 0.451 156 V N 5.370 125.256 119.914 -0.048 0.000 2.425 156 V HA 0.077 4.198 4.120 0.002 0.000 0.276 156 V C 0.914 176.979 176.094 -0.048 0.000 1.017 156 V CA 0.831 63.096 62.300 -0.057 0.000 1.062 156 V CB 0.467 32.253 31.823 -0.063 0.000 0.997 156 V HN 0.806 nan 8.190 nan 0.000 0.476 157 R N 1.901 122.371 120.500 -0.049 0.000 2.492 157 R HA 0.189 4.530 4.340 0.002 0.000 0.219 157 R C 0.583 176.858 176.300 -0.042 0.000 0.886 157 R CA -0.001 56.076 56.100 -0.039 0.000 1.003 157 R CB 0.834 31.115 30.300 -0.032 0.000 1.345 157 R HN 0.615 nan 8.270 nan 0.000 0.631 158 T N -0.604 113.919 114.554 -0.052 0.000 2.940 158 T HA 0.188 4.539 4.350 0.002 0.000 0.288 158 T C 0.891 175.558 174.700 -0.056 0.000 1.033 158 T CA -0.366 61.705 62.100 -0.049 0.000 1.033 158 T CB 2.054 70.894 68.868 -0.047 0.000 1.079 158 T HN -0.111 nan 8.240 nan 0.000 0.496 159 S N 0.769 116.447 115.700 -0.038 0.000 2.423 159 S HA -0.094 4.377 4.470 0.002 0.000 0.231 159 S C 1.865 176.465 174.600 -0.000 0.000 1.014 159 S CA 1.071 59.260 58.200 -0.019 0.000 0.965 159 S CB -0.119 63.088 63.200 0.012 0.000 0.785 159 S HN 0.777 nan 8.310 nan 0.000 0.495 160 E N 1.118 121.315 120.200 -0.005 0.000 2.046 160 E HA -0.172 4.179 4.350 0.002 0.000 0.190 160 E C 1.201 177.651 176.600 -0.251 0.000 0.982 160 E CA 1.258 57.580 56.400 -0.131 0.000 0.800 160 E CB -0.082 29.533 29.700 -0.142 0.000 0.756 160 E HN 0.273 nan 8.360 nan 0.000 0.449 161 D N 0.596 120.896 120.400 -0.167 0.000 2.133 161 D HA -0.198 4.443 4.640 0.002 0.000 0.192 161 D C 2.129 178.326 176.300 -0.171 0.000 1.001 161 D CA 2.156 56.061 54.000 -0.159 0.000 0.844 161 D CB -0.439 40.296 40.800 -0.108 0.000 0.944 161 D HN 0.316 nan 8.370 nan 0.000 0.447 162 V N -1.002 118.818 119.914 -0.157 0.000 2.515 162 V HA -0.148 3.973 4.120 0.002 0.000 0.250 162 V C 2.386 178.341 176.094 -0.232 0.000 1.058 162 V CA 1.057 63.257 62.300 -0.167 0.000 1.064 162 V CB -0.876 30.859 31.823 -0.146 0.000 0.675 162 V HN 0.024 nan 8.190 nan 0.000 0.461 163 V N -0.527 119.218 119.914 -0.282 0.000 2.374 163 V HA -0.048 4.073 4.120 0.002 0.000 0.241 163 V C 2.574 178.509 176.094 -0.266 0.000 1.034 163 V CA 1.587 63.677 62.300 -0.350 0.000 1.037 163 V CB 0.084 31.674 31.823 -0.389 0.000 0.682 163 V HN 0.362 nan 8.190 nan 0.000 0.463 164 V N 1.389 121.119 119.914 -0.306 0.000 2.490 164 V HA -0.195 3.926 4.120 0.002 0.000 0.250 164 V C 2.572 178.546 176.094 -0.199 0.000 1.061 164 V CA 2.317 64.447 62.300 -0.283 0.000 1.064 164 V CB -0.409 31.156 31.823 -0.431 0.000 0.670 164 V HN 0.761 nan 8.190 nan 0.000 0.461 165 S N -1.250 114.336 115.700 -0.189 0.000 2.607 165 S HA 0.005 4.476 4.470 0.002 0.000 0.224 165 S C 1.512 176.028 174.600 -0.139 0.000 0.969 165 S CA 0.551 58.665 58.200 -0.143 0.000 0.927 165 S CB -0.085 63.041 63.200 -0.124 0.000 0.772 165 S HN 0.687 nan 8.310 nan 0.000 0.533 166 K N 0.565 120.856 120.400 -0.180 0.000 2.380 166 K HA 0.228 4.549 4.320 0.002 0.000 0.200 166 K C 1.570 177.996 176.600 -0.290 0.000 1.201 166 K CA 0.950 57.115 56.287 -0.203 0.000 0.916 166 K CB 0.375 32.739 32.500 -0.228 0.000 1.187 166 K HN 0.341 nan 8.250 nan 0.000 0.498 167 V N -2.127 117.588 119.914 -0.330 0.000 3.556 167 V HA 0.452 4.573 4.120 0.002 0.000 0.287 167 V C 0.509 176.536 176.094 -0.112 0.000 1.422 167 V CA 0.234 62.284 62.300 -0.416 0.000 1.038 167 V CB -0.073 31.435 31.823 -0.525 0.000 0.850 167 V HN 0.391 nan 8.190 nan 0.000 0.437 168 G N 1.516 110.263 108.800 -0.089 0.000 2.710 168 G HA2 -0.220 3.741 3.960 0.002 0.000 0.668 168 G HA3 -0.220 3.741 3.960 0.002 0.000 0.668 168 G C 0.095 175.028 174.900 0.054 0.000 1.320 168 G CA 0.375 45.457 45.100 -0.030 0.000 0.860 168 G HN 0.701 nan 8.290 nan 0.000 0.538 169 R N -0.165 120.378 120.500 0.070 0.000 2.100 169 R HA 0.098 4.439 4.340 0.002 0.000 0.220 169 R C 2.067 178.525 176.300 0.263 0.000 1.091 169 R CA 2.151 58.337 56.100 0.145 0.000 0.986 169 R CB -0.670 29.677 30.300 0.078 0.000 0.888 169 R HN 0.610 nan 8.270 nan 0.000 0.444 170 D N -0.159 120.377 120.400 0.226 0.000 2.097 170 D HA -0.127 4.514 4.640 0.002 0.000 0.195 170 D C 1.787 178.287 176.300 0.333 0.000 0.989 170 D CA 1.508 55.669 54.000 0.268 0.000 0.827 170 D CB -0.003 40.974 40.800 0.294 0.000 0.966 170 D HN 0.278 nan 8.370 nan 0.000 0.456 171 L N -0.472 120.987 121.223 0.392 0.000 2.083 171 L HA -0.159 4.182 4.340 0.002 0.000 0.209 171 L C 2.269 179.444 176.870 0.508 0.000 1.083 171 L CA 1.010 56.136 54.840 0.478 0.000 0.752 171 L CB -0.633 41.666 42.059 0.400 0.000 0.899 171 L HN 0.220 nan 8.230 nan 0.000 0.433 172 Y N 1.481 121.942 120.300 0.269 0.000 2.128 172 Y HA -0.299 4.252 4.550 0.002 0.000 0.284 172 Y C 2.459 178.522 175.900 0.271 0.000 1.154 172 Y CA 1.863 60.122 58.100 0.264 0.000 1.149 172 Y CB -0.274 38.252 38.460 0.111 0.000 0.976 172 Y HN 0.213 nan 8.280 nan 0.000 0.505 173 N N 0.441 119.233 118.700 0.154 0.000 2.120 173 N HA -0.147 4.594 4.740 0.002 0.000 0.188 173 N C 1.660 177.145 175.510 -0.041 0.000 1.024 173 N CA 1.664 54.709 53.050 -0.009 0.000 0.852 173 N CB -0.279 38.261 38.487 0.089 0.000 1.003 173 N HN 0.447 nan 8.380 nan 0.000 0.424 174 K N -0.709 119.695 120.400 0.006 0.000 2.155 174 K HA 0.015 4.336 4.320 0.002 0.000 0.203 174 K C 1.116 177.443 176.600 -0.456 0.000 1.052 174 K CA 0.865 57.010 56.287 -0.237 0.000 0.948 174 K CB 0.012 32.325 32.500 -0.311 0.000 0.728 174 K HN 0.216 nan 8.250 nan 0.000 0.448 175 F N -1.926 118.001 119.950 -0.038 0.000 2.619 175 F HA 0.172 4.700 4.527 0.002 0.000 0.281 175 F C 1.586 177.161 175.800 -0.374 0.000 1.065 175 F CA -0.043 57.832 58.000 -0.207 0.000 1.304 175 F CB 0.177 39.025 39.000 -0.253 0.000 1.059 175 F HN -0.165 nan 8.300 nan 0.000 0.648 176 F N -0.456 119.522 119.950 0.047 0.000 2.453 176 F HA 0.231 4.759 4.527 0.002 0.000 0.284 176 F C 2.411 178.128 175.800 -0.137 0.000 1.065 176 F CA 0.282 58.265 58.000 -0.028 0.000 1.411 176 F CB -0.401 38.610 39.000 0.018 0.000 1.131 176 F HN -0.353 nan 8.300 nan 0.000 0.582 177 R N 0.792 121.124 120.500 -0.281 0.000 2.082 177 R HA -0.122 4.219 4.340 0.002 0.000 0.234 177 R C 2.427 178.700 176.300 -0.044 0.000 1.136 177 R CA 1.867 57.773 56.100 -0.323 0.000 0.935 177 R CB -1.113 28.882 30.300 -0.509 0.000 0.842 177 R HN 0.373 nan 8.270 nan 0.000 0.430 178 G N -0.496 108.282 108.800 -0.036 0.000 2.440 178 G HA2 -0.342 3.619 3.960 0.002 0.000 0.218 178 G HA3 -0.342 3.619 3.960 0.002 0.000 0.218 178 G C 1.366 176.306 174.900 0.068 0.000 1.154 178 G CA 0.977 46.082 45.100 0.008 0.000 0.767 178 G HN 0.532 nan 8.290 nan 0.000 0.552 179 Y N 1.532 121.819 120.300 -0.021 0.000 2.200 179 Y HA -0.122 4.429 4.550 0.002 0.000 0.290 179 Y C 3.161 179.103 175.900 0.069 0.000 1.137 179 Y CA 2.108 60.211 58.100 0.005 0.000 1.163 179 Y CB -0.111 38.334 38.460 -0.024 0.000 0.988 179 Y HN 0.205 nan 8.280 nan 0.000 0.518 180 T N 0.538 115.346 114.554 0.423 0.000 2.746 180 T HA -0.171 4.180 4.350 0.002 0.000 0.267 180 T C 1.818 176.732 174.700 0.357 0.000 1.039 180 T CA 1.718 64.112 62.100 0.491 0.000 1.142 180 T CB -0.235 68.892 68.868 0.431 0.000 0.866 180 T HN 0.326 nan 8.240 nan 0.000 0.444 181 R N 0.737 121.356 120.500 0.199 0.000 2.081 181 R HA -0.024 4.317 4.340 0.002 0.000 0.235 181 R C 2.567 178.911 176.300 0.073 0.000 1.131 181 R CA 1.322 57.503 56.100 0.135 0.000 0.960 181 R CB -0.153 30.195 30.300 0.080 0.000 0.856 181 R HN 0.313 nan 8.270 nan 0.000 0.436 182 K N 0.540 120.937 120.400 -0.005 0.000 2.025 182 K HA -0.221 4.100 4.320 0.002 0.000 0.207 182 K C 2.227 178.727 176.600 -0.166 0.000 1.049 182 K CA 1.541 57.770 56.287 -0.096 0.000 0.933 182 K CB 0.085 32.483 32.500 -0.170 0.000 0.714 182 K HN -0.075 nan 8.250 nan 0.000 0.438 183 Q N -0.564 119.080 119.800 -0.259 0.000 2.119 183 Q HA -0.138 4.204 4.340 0.002 0.000 0.201 183 Q C 0.989 176.658 176.000 -0.553 0.000 0.972 183 Q CA 1.910 57.416 55.803 -0.494 0.000 0.847 183 Q CB -0.133 28.241 28.738 -0.606 0.000 0.903 183 Q HN 0.473 nan 8.270 nan 0.000 0.433 184 W N -1.632 119.631 121.300 -0.061 0.000 2.915 184 W HA 0.430 5.091 4.660 0.002 0.000 0.276 184 W C 1.159 177.674 176.519 -0.007 0.000 1.215 184 W CA 0.143 57.465 57.345 -0.039 0.000 1.514 184 W CB 0.419 29.878 29.460 -0.001 0.000 1.017 184 W HN 0.233 nan 8.180 nan 0.000 0.598 185 G N 0.927 109.835 108.800 0.179 0.000 2.153 185 G HA2 -0.242 3.719 3.960 0.002 0.000 0.252 185 G HA3 -0.242 3.719 3.960 0.002 0.000 0.252 185 G C -0.601 174.386 174.900 0.144 0.000 0.994 185 G CA 0.088 45.264 45.100 0.127 0.000 0.698 185 G HN 0.076 nan 8.290 nan 0.000 0.521 186 L N -0.179 121.159 121.223 0.192 0.000 2.409 186 L HA 0.645 4.986 4.340 0.002 0.000 0.262 186 L C -0.084 176.872 176.870 0.143 0.000 0.992 186 L CA -1.398 53.530 54.840 0.146 0.000 0.817 186 L CB 1.841 43.975 42.059 0.124 0.000 1.350 186 L HN 0.255 nan 8.230 nan 0.000 0.411 187 D N 2.439 122.903 120.400 0.107 0.000 2.341 187 D HA 0.295 4.936 4.640 0.002 0.000 0.245 187 D C -1.698 174.672 176.300 0.116 0.000 1.106 187 D CA -1.184 52.888 54.000 0.120 0.000 0.905 187 D CB 1.628 42.492 40.800 0.105 0.000 1.202 187 D HN 0.302 nan 8.370 nan 0.000 0.426 188 P HA -0.126 nan 4.420 nan 0.000 0.223 188 P C 0.836 178.189 177.300 0.088 0.000 1.144 188 P CA 0.887 64.081 63.100 0.156 0.000 0.783 188 P CB 0.018 31.909 31.700 0.318 0.000 0.771 189 S N -0.967 114.785 115.700 0.087 0.000 2.489 189 S HA -0.050 4.421 4.470 0.002 0.000 0.228 189 S C 1.527 176.134 174.600 0.012 0.000 0.995 189 S CA 0.621 58.840 58.200 0.033 0.000 0.934 189 S CB -0.813 62.407 63.200 0.033 0.000 0.771 189 S HN 0.230 nan 8.310 nan 0.000 0.522 190 E N 0.450 120.661 120.200 0.017 0.000 2.489 190 E HA 0.318 4.669 4.350 0.002 0.000 0.193 190 E C -0.391 176.186 176.600 -0.038 0.000 1.057 190 E CA -0.060 56.341 56.400 0.000 0.000 0.866 190 E CB 0.123 29.835 29.700 0.020 0.000 0.916 190 E HN 0.518 nan 8.360 nan 0.000 0.500 191 L N 0.646 121.831 121.223 -0.064 0.000 2.333 191 L HA 0.271 4.612 4.340 0.002 0.000 0.269 191 L C 0.236 177.051 176.870 -0.093 0.000 1.010 191 L CA -1.020 53.741 54.840 -0.132 0.000 0.818 191 L CB 1.667 43.571 42.059 -0.258 0.000 1.306 191 L HN -0.043 nan 8.230 nan 0.000 0.430 192 D N 0.988 121.331 120.400 -0.095 0.000 2.449 192 D HA 0.001 4.642 4.640 0.002 0.000 0.236 192 D C 0.824 177.091 176.300 -0.055 0.000 1.149 192 D CA 0.480 54.445 54.000 -0.058 0.000 0.878 192 D CB 1.747 42.523 40.800 -0.040 0.000 1.198 192 D HN 0.692 nan 8.370 nan 0.000 0.446 193 A N 2.892 125.687 122.820 -0.042 0.000 2.024 193 A HA -0.218 4.103 4.320 0.002 0.000 0.220 193 A C 2.226 179.792 177.584 -0.031 0.000 1.164 193 A CA 2.146 54.157 52.037 -0.044 0.000 0.643 193 A CB -0.703 18.268 19.000 -0.048 0.000 0.806 193 A HN 0.696 nan 8.150 nan 0.000 0.451 194 S N -0.343 115.347 115.700 -0.017 0.000 2.420 194 S HA -0.154 4.317 4.470 0.002 0.000 0.237 194 S C 1.691 176.306 174.600 0.025 0.000 1.023 194 S CA 1.541 59.743 58.200 0.003 0.000 0.991 194 S CB -0.927 62.286 63.200 0.021 0.000 0.792 194 S HN 0.286 nan 8.310 nan 0.000 0.488 195 V N 2.807 122.740 119.914 0.033 0.000 2.255 195 V HA -0.129 3.992 4.120 0.002 0.000 0.243 195 V C 3.175 179.365 176.094 0.160 0.000 1.038 195 V CA 2.129 64.500 62.300 0.118 0.000 1.008 195 V CB -1.536 30.278 31.823 -0.016 0.000 0.645 195 V HN 0.858 nan 8.190 nan 0.000 0.449 196 T N -1.288 113.335 114.554 0.114 0.000 3.023 196 T HA 0.065 4.416 4.350 0.002 0.000 0.266 196 T C 1.755 176.479 174.700 0.040 0.000 1.093 196 T CA 0.997 63.186 62.100 0.148 0.000 1.129 196 T CB -0.255 68.655 68.868 0.069 0.000 0.899 196 T HN 0.415 nan 8.240 nan 0.000 0.491 197 A N 1.776 124.588 122.820 -0.013 0.000 2.172 197 A HA 0.060 4.381 4.320 0.002 0.000 0.216 197 A C 2.450 180.018 177.584 -0.026 0.000 1.154 197 A CA 0.687 52.697 52.037 -0.045 0.000 0.701 197 A CB -0.652 18.319 19.000 -0.049 0.000 0.789 197 A HN 0.537 nan 8.150 nan 0.000 0.465 198 R N -0.867 119.636 120.500 0.005 0.000 2.120 198 R HA -0.042 4.299 4.340 0.002 0.000 0.234 198 R C -0.131 176.140 176.300 -0.049 0.000 1.123 198 R CA 1.139 57.231 56.100 -0.014 0.000 0.975 198 R CB -0.151 30.144 30.300 -0.008 0.000 0.866 198 R HN 0.304 nan 8.270 nan 0.000 0.446 199 V N 3.752 123.662 119.914 -0.008 0.000 2.204 199 V HA 0.190 4.311 4.120 0.002 0.000 0.264 199 V C -1.996 174.078 176.094 -0.033 0.000 1.106 199 V CA -1.731 60.523 62.300 -0.076 0.000 0.947 199 V CB 0.545 32.379 31.823 0.019 0.000 1.164 199 V HN 0.084 nan 8.190 nan 0.000 0.461 200 P HA 0.185 nan 4.420 nan 0.000 0.272 200 P C 0.017 177.253 177.300 -0.106 0.000 1.230 200 P CA 0.181 63.218 63.100 -0.105 0.000 0.788 200 P CB 0.978 32.614 31.700 -0.106 0.000 0.949 201 T N 2.222 116.704 114.554 -0.120 0.000 2.928 201 T HA 0.442 4.793 4.350 0.002 0.000 0.284 201 T C 0.347 175.007 174.700 -0.066 0.000 1.008 201 T CA -0.463 61.565 62.100 -0.120 0.000 1.057 201 T CB 0.689 69.416 68.868 -0.235 0.000 1.018 201 T HN 0.345 nan 8.240 nan 0.000 0.493 202 R N 0.149 120.644 120.500 -0.009 0.000 2.807 202 R HA 0.500 4.841 4.340 0.002 0.000 0.276 202 R C 0.839 177.215 176.300 0.126 0.000 0.979 202 R CA -0.658 55.455 56.100 0.021 0.000 0.928 202 R CB 1.386 31.664 30.300 -0.037 0.000 1.191 202 R HN 0.780 nan 8.270 nan 0.000 0.471 203 T N -3.084 111.517 114.554 0.078 0.000 3.023 203 T HA 0.015 4.367 4.350 0.002 0.000 0.253 203 T C 0.704 175.364 174.700 -0.067 0.000 1.038 203 T CA -0.203 61.922 62.100 0.041 0.000 0.962 203 T CB -0.230 68.651 68.868 0.023 0.000 1.018 203 T HN 0.582 nan 8.240 nan 0.000 0.521 204 N N 2.110 120.767 118.700 -0.071 0.000 2.385 204 N HA 0.235 4.977 4.740 0.002 0.000 0.291 204 N C 0.377 175.833 175.510 -0.089 0.000 1.298 204 N CA -0.839 52.150 53.050 -0.103 0.000 0.955 204 N CB 0.288 38.717 38.487 -0.096 0.000 1.096 204 N HN 0.152 nan 8.380 nan 0.000 0.543 205 R N -1.911 118.535 120.500 -0.090 0.000 2.629 205 R HA 0.223 4.565 4.340 0.002 0.000 0.386 205 R C -0.800 175.452 176.300 -0.079 0.000 1.071 205 R CA -0.511 55.540 56.100 -0.082 0.000 1.104 205 R CB -0.113 30.140 30.300 -0.079 0.000 1.370 205 R HN 0.545 nan 8.270 nan 0.000 0.574 206 D N 2.180 122.530 120.400 -0.082 0.000 2.417 206 D HA -0.039 4.602 4.640 0.002 0.000 0.250 206 D C 0.409 176.650 176.300 -0.098 0.000 1.166 206 D CA 0.255 54.204 54.000 -0.086 0.000 0.881 206 D CB 0.799 41.546 40.800 -0.088 0.000 1.164 206 D HN 0.222 nan 8.370 nan 0.000 0.467 207 N N 2.647 121.288 118.700 -0.099 0.000 2.204 207 N HA 0.025 4.766 4.740 0.002 0.000 0.219 207 N C -0.214 175.220 175.510 -0.127 0.000 1.151 207 N CA -0.378 52.606 53.050 -0.110 0.000 0.867 207 N CB 0.132 38.560 38.487 -0.099 0.000 1.043 207 N HN 0.152 nan 8.380 nan 0.000 0.516 208 R N -0.252 120.172 120.500 -0.128 0.000 2.539 208 R HA 0.124 4.465 4.340 0.002 0.000 0.275 208 R C 0.350 176.534 176.300 -0.192 0.000 1.077 208 R CA -0.483 55.534 56.100 -0.139 0.000 1.097 208 R CB 0.476 30.715 30.300 -0.101 0.000 1.018 208 R HN 0.025 nan 8.270 nan 0.000 0.483 209 Y N 1.018 121.047 120.300 -0.452 0.000 2.439 209 Y HA 0.082 4.633 4.550 0.002 0.000 0.292 209 Y C -0.325 175.034 175.900 -0.902 0.000 1.130 209 Y CA 0.888 58.549 58.100 -0.732 0.000 1.254 209 Y CB 0.404 38.293 38.460 -0.952 0.000 1.000 209 Y HN 0.370 nan 8.280 nan 0.000 0.554 210 F N -2.027 117.841 119.950 -0.137 0.000 2.565 210 F HA 0.556 5.084 4.527 0.002 0.000 0.313 210 F C 0.577 176.278 175.800 -0.166 0.000 1.091 210 F CA -0.773 57.093 58.000 -0.223 0.000 0.915 210 F CB 1.470 40.274 39.000 -0.327 0.000 1.208 210 F HN -0.245 nan 8.300 nan 0.000 0.453 211 A N 0.540 123.374 122.820 0.023 0.000 2.345 211 A HA 0.220 4.541 4.320 0.002 0.000 0.225 211 A C -0.106 177.454 177.584 -0.040 0.000 1.243 211 A CA -0.269 51.750 52.037 -0.030 0.000 0.875 211 A CB -0.785 18.180 19.000 -0.058 0.000 0.929 211 A HN 0.718 nan 8.150 nan 0.000 0.502 212 D N -0.049 120.348 120.400 -0.006 0.000 2.443 212 D HA 0.129 4.770 4.640 0.002 0.000 0.234 212 D C 1.308 177.508 176.300 -0.166 0.000 1.172 212 D CA 0.818 54.780 54.000 -0.063 0.000 0.878 212 D CB 0.632 41.414 40.800 -0.029 0.000 1.204 212 D HN 0.146 nan 8.370 nan 0.000 0.453 213 T N 0.410 114.797 114.554 -0.278 0.000 2.777 213 T HA -0.126 4.225 4.350 0.002 0.000 0.266 213 T C 0.324 174.558 174.700 -0.776 0.000 1.040 213 T CA 1.139 62.906 62.100 -0.556 0.000 1.141 213 T CB -0.217 68.185 68.868 -0.778 0.000 0.868 213 T HN 0.351 nan 8.240 nan 0.000 0.444 214 Y N 1.766 121.877 120.300 -0.315 0.000 2.402 214 Y HA 0.505 5.056 4.550 0.002 0.000 0.332 214 Y C 0.145 175.830 175.900 -0.359 0.000 0.960 214 Y CA -1.011 56.769 58.100 -0.533 0.000 1.228 214 Y CB 0.682 38.587 38.460 -0.924 0.000 1.120 214 Y HN 0.016 nan 8.280 nan 0.000 0.491 215 Q N 3.040 122.755 119.800 -0.142 0.000 2.320 215 Q HA 0.853 5.194 4.340 0.002 0.000 0.268 215 Q C -1.183 174.881 176.000 0.106 0.000 1.023 215 Q CA -0.912 54.897 55.803 0.010 0.000 0.744 215 Q CB 2.383 31.134 28.738 0.023 0.000 1.246 215 Q HN 0.775 nan 8.270 nan 0.000 0.462 216 A N 2.854 125.835 122.820 0.269 0.000 2.599 216 A HA 0.666 4.987 4.320 0.002 0.000 0.294 216 A C -1.455 176.506 177.584 0.628 0.000 1.055 216 A CA -0.757 51.520 52.037 0.401 0.000 0.683 216 A CB 1.446 20.625 19.000 0.298 0.000 1.278 216 A HN 0.528 nan 8.150 nan 0.000 0.412 217 M N 1.457 121.395 119.600 0.564 0.000 2.423 217 M HA 0.399 4.880 4.480 0.002 0.000 0.335 217 M C -2.541 173.912 176.300 0.256 0.000 1.177 217 M CA -2.469 53.075 55.300 0.406 0.000 1.038 217 M CB 0.756 33.480 32.600 0.208 0.000 1.641 217 M HN 0.295 nan 8.290 nan 0.000 0.455 218 P HA -0.020 nan 4.420 nan 0.000 0.262 218 P C 0.876 177.951 177.300 -0.375 0.000 1.199 218 P CA -0.094 62.679 63.100 -0.545 0.000 0.763 218 P CB 0.244 31.513 31.700 -0.719 0.000 0.790 219 L N 4.727 125.702 121.223 -0.414 0.000 2.043 219 L HA -0.196 4.145 4.340 0.002 0.000 0.212 219 L C 1.310 177.884 176.870 -0.494 0.000 1.075 219 L CA 2.148 56.729 54.840 -0.431 0.000 0.752 219 L CB -0.914 40.803 42.059 -0.569 0.000 0.891 219 L HN 0.471 nan 8.230 nan 0.000 0.432 220 H N -0.525 118.448 119.070 -0.161 0.000 2.488 220 H HA 0.546 5.103 4.556 0.002 0.000 0.294 220 H C 0.882 176.128 175.328 -0.137 0.000 1.088 220 H CA 0.366 56.350 56.048 -0.107 0.000 1.086 220 H CB -0.501 29.214 29.762 -0.078 0.000 1.569 220 H HN 0.367 nan 8.280 nan 0.000 0.548 221 G N -0.014 108.693 108.800 -0.155 0.000 2.707 221 G HA2 -0.271 3.690 3.960 0.002 0.000 0.686 221 G HA3 -0.271 3.690 3.960 0.002 0.000 0.686 221 G C 0.136 174.882 174.900 -0.257 0.000 1.315 221 G CA -0.446 44.531 45.100 -0.205 0.000 0.832 221 G HN 0.268 nan 8.290 nan 0.000 0.573 222 Y N 0.291 120.531 120.300 -0.100 0.000 2.200 222 Y HA -0.071 4.480 4.550 0.002 0.000 0.290 222 Y C 3.395 179.316 175.900 0.035 0.000 1.137 222 Y CA 2.336 60.395 58.100 -0.069 0.000 1.163 222 Y CB -0.435 38.039 38.460 0.023 0.000 0.988 222 Y HN 0.636 nan 8.280 nan 0.000 0.518 223 T N 0.143 114.788 114.554 0.152 0.000 2.720 223 T HA -0.166 4.185 4.350 0.002 0.000 0.268 223 T C 1.983 176.744 174.700 0.102 0.000 1.037 223 T CA 1.203 63.391 62.100 0.146 0.000 1.144 223 T CB -0.138 68.700 68.868 -0.049 0.000 0.864 223 T HN 0.224 nan 8.240 nan 0.000 0.444 224 R N 0.714 121.225 120.500 0.018 0.000 2.081 224 R HA 0.024 4.365 4.340 0.002 0.000 0.235 224 R C 2.476 178.746 176.300 -0.050 0.000 1.131 224 R CA 1.089 57.184 56.100 -0.009 0.000 0.960 224 R CB -0.785 29.510 30.300 -0.009 0.000 0.856 224 R HN 0.457 nan 8.270 nan 0.000 0.436 225 M N -0.124 119.401 119.600 -0.125 0.000 2.080 225 M HA -0.177 4.304 4.480 0.002 0.000 0.260 225 M C 1.820 177.958 176.300 -0.270 0.000 1.068 225 M CA 1.836 56.995 55.300 -0.237 0.000 1.109 225 M CB -0.218 32.149 32.600 -0.388 0.000 1.342 225 M HN -0.009 nan 8.290 nan 0.000 0.405 226 F N 0.685 120.525 119.950 -0.183 0.000 2.171 226 F HA -0.258 4.270 4.527 0.002 0.000 0.300 226 F C 2.568 178.257 175.800 -0.185 0.000 1.090 226 F CA 1.697 59.562 58.000 -0.225 0.000 1.293 226 F CB -0.420 38.466 39.000 -0.191 0.000 1.013 226 F HN 0.286 nan 8.300 nan 0.000 0.486 227 Q N 0.008 119.844 119.800 0.059 0.000 2.084 227 Q HA -0.205 4.136 4.340 0.002 0.000 0.202 227 Q C 1.985 177.965 176.000 -0.032 0.000 0.978 227 Q CA 1.470 57.282 55.803 0.014 0.000 0.844 227 Q CB -0.205 28.544 28.738 0.019 0.000 0.898 227 Q HN 0.377 nan 8.270 nan 0.000 0.426 228 N N 0.219 118.888 118.700 -0.052 0.000 2.106 228 N HA -0.125 4.616 4.740 0.002 0.000 0.188 228 N C 1.682 177.122 175.510 -0.118 0.000 1.029 228 N CA 1.179 54.217 53.050 -0.021 0.000 0.848 228 N CB -0.210 38.315 38.487 0.064 0.000 1.007 228 N HN 0.264 nan 8.380 nan 0.000 0.423 229 M N 0.378 119.729 119.600 -0.416 0.000 2.106 229 M HA -0.112 4.369 4.480 0.002 0.000 0.259 229 M C 1.230 177.339 176.300 -0.318 0.000 1.068 229 M CA 1.361 56.214 55.300 -0.744 0.000 1.100 229 M CB -0.135 31.992 32.600 -0.788 0.000 1.351 229 M HN 0.056 nan 8.290 nan 0.000 0.404 230 L N -0.599 120.527 121.223 -0.162 0.000 2.629 230 L HA 0.050 4.392 4.340 0.002 0.000 0.230 230 L C 2.178 179.019 176.870 -0.049 0.000 1.151 230 L CA -0.135 54.653 54.840 -0.088 0.000 0.924 230 L CB -0.399 41.624 42.059 -0.059 0.000 1.137 230 L HN 0.316 nan 8.230 nan 0.000 0.457 231 S N -1.658 114.018 115.700 -0.040 0.000 2.406 231 S HA -0.100 4.371 4.470 0.002 0.000 0.228 231 S C 1.285 175.887 174.600 0.003 0.000 1.020 231 S CA 0.274 58.468 58.200 -0.011 0.000 0.965 231 S CB -0.253 62.947 63.200 -0.000 0.000 0.798 231 S HN 0.374 nan 8.310 nan 0.000 0.488 232 S N 3.474 119.178 115.700 0.007 0.000 2.643 232 S HA 0.040 4.511 4.470 0.002 0.000 0.310 232 S C -1.561 173.055 174.600 0.026 0.000 1.253 232 S CA -0.707 57.505 58.200 0.020 0.000 1.047 232 S CB 0.349 63.562 63.200 0.022 0.000 0.767 232 S HN 0.220 nan 8.310 nan 0.000 0.498 233 P HA -0.015 nan 4.420 nan 0.000 0.226 233 P C 0.583 177.919 177.300 0.061 0.000 1.146 233 P CA 0.746 63.871 63.100 0.042 0.000 0.773 233 P CB 0.022 31.744 31.700 0.037 0.000 0.772 234 N N -0.776 117.963 118.700 0.065 0.000 2.412 234 N HA 0.078 4.819 4.740 0.002 0.000 0.184 234 N C 0.412 175.985 175.510 0.106 0.000 1.101 234 N CA 0.336 53.443 53.050 0.094 0.000 0.881 234 N CB 0.110 38.653 38.487 0.093 0.000 0.969 234 N HN 0.247 nan 8.380 nan 0.000 0.459 235 I N 1.810 122.418 120.570 0.064 0.000 2.307 235 I HA 0.163 4.334 4.170 0.002 0.000 0.289 235 I C -0.213 175.922 176.117 0.030 0.000 1.021 235 I CA -0.730 60.590 61.300 0.033 0.000 1.224 235 I CB 0.900 38.895 38.000 -0.008 0.000 1.376 235 I HN -0.382 nan 8.210 nan 0.000 0.470 236 K N 6.149 126.564 120.400 0.024 0.000 2.156 236 K HA 0.567 4.888 4.320 0.002 0.000 0.271 236 K C -0.617 175.940 176.600 -0.071 0.000 0.995 236 K CA -0.693 55.599 56.287 0.008 0.000 0.890 236 K CB 2.460 35.005 32.500 0.076 0.000 1.073 236 K HN 0.252 nan 8.250 nan 0.000 0.454 237 V N 3.752 123.635 119.914 -0.051 0.000 2.459 237 V HA 0.459 4.580 4.120 0.002 0.000 0.295 237 V C -0.218 175.834 176.094 -0.070 0.000 1.029 237 V CA -0.800 61.454 62.300 -0.076 0.000 0.874 237 V CB 1.598 33.383 31.823 -0.062 0.000 0.985 237 V HN 0.729 nan 8.190 nan 0.000 0.438 238 M N 5.894 125.438 119.600 -0.094 0.000 2.259 238 M HA 0.646 5.127 4.480 0.002 0.000 0.304 238 M C -1.724 174.521 176.300 -0.091 0.000 1.019 238 M CA -0.320 54.934 55.300 -0.076 0.000 0.922 238 M CB 1.499 34.054 32.600 -0.075 0.000 1.600 238 M HN 0.537 nan 8.290 nan 0.000 0.433 239 L N 2.981 124.156 121.223 -0.079 0.000 2.286 239 L HA 0.550 4.891 4.340 0.002 0.000 0.265 239 L C 0.642 177.462 176.870 -0.083 0.000 1.012 239 L CA -0.885 53.893 54.840 -0.103 0.000 0.818 239 L CB 1.488 43.483 42.059 -0.107 0.000 1.337 239 L HN 0.936 nan 8.230 nan 0.000 0.438 240 N N -0.006 118.633 118.700 -0.102 0.000 2.725 240 N HA -0.165 4.576 4.740 0.002 0.000 0.249 240 N C -0.960 174.516 175.510 -0.056 0.000 1.103 240 N CA 1.054 54.059 53.050 -0.074 0.000 0.707 240 N CB -0.694 37.764 38.487 -0.049 0.000 1.043 240 N HN 0.764 nan 8.380 nan 0.000 0.553 241 T N 0.449 114.963 114.554 -0.066 0.000 2.965 241 T HA 0.126 4.477 4.350 0.002 0.000 0.306 241 T C -1.001 173.673 174.700 -0.044 0.000 0.991 241 T CA -0.743 61.328 62.100 -0.048 0.000 1.001 241 T CB 1.507 70.348 68.868 -0.044 0.000 0.984 241 T HN 0.118 nan 8.240 nan 0.000 0.446 242 D N 1.910 122.284 120.400 -0.043 0.000 2.390 242 D HA 0.017 4.658 4.640 0.002 0.000 0.249 242 D C 1.229 177.488 176.300 -0.068 0.000 1.144 242 D CA -0.245 53.734 54.000 -0.035 0.000 0.880 242 D CB 0.763 41.517 40.800 -0.076 0.000 1.182 242 D HN 0.718 nan 8.370 nan 0.000 0.451 243 Y N 3.733 123.982 120.300 -0.084 0.000 2.256 243 Y HA -0.153 4.398 4.550 0.002 0.000 0.288 243 Y C 1.959 177.781 175.900 -0.130 0.000 1.155 243 Y CA 0.968 58.998 58.100 -0.116 0.000 1.203 243 Y CB -0.222 38.181 38.460 -0.095 0.000 0.980 243 Y HN 0.301 nan 8.280 nan 0.000 0.530 244 R N 0.738 120.632 120.500 -1.009 0.000 2.189 244 R HA -0.096 4.245 4.340 0.002 0.000 0.223 244 R C 1.865 177.933 176.300 -0.387 0.000 1.092 244 R CA 1.413 57.045 56.100 -0.779 0.000 0.989 244 R CB -0.257 29.594 30.300 -0.749 0.000 0.876 244 R HN 0.571 nan 8.270 nan 0.000 0.457 245 E N 0.488 120.524 120.200 -0.273 0.000 2.347 245 E HA -0.122 4.229 4.350 0.002 0.000 0.196 245 E C 1.604 178.082 176.600 -0.203 0.000 1.008 245 E CA 0.993 57.303 56.400 -0.150 0.000 0.852 245 E CB 0.172 29.832 29.700 -0.067 0.000 0.783 245 E HN 0.518 nan 8.360 nan 0.000 0.505 246 I N -5.145 115.222 120.570 -0.339 0.000 4.526 246 I HA 0.373 4.544 4.170 0.002 0.000 0.330 246 I C 1.851 177.573 176.117 -0.660 0.000 1.323 246 I CA -0.067 60.867 61.300 -0.610 0.000 1.218 246 I CB 0.599 38.456 38.000 -0.238 0.000 1.233 246 I HN -0.158 nan 8.210 nan 0.000 0.430 247 A N 1.372 123.978 122.820 -0.357 0.000 2.121 247 A HA -0.105 4.216 4.320 0.002 0.000 0.218 247 A C 1.673 179.205 177.584 -0.087 0.000 1.154 247 A CA 1.772 53.764 52.037 -0.074 0.000 0.679 247 A CB -0.552 18.471 19.000 0.039 0.000 0.795 247 A HN 0.450 nan 8.150 nan 0.000 0.458 248 D N -0.043 120.181 120.400 -0.294 0.000 2.084 248 D HA -0.120 4.521 4.640 0.002 0.000 0.196 248 D C 1.377 177.634 176.300 -0.072 0.000 0.985 248 D CA 1.897 55.805 54.000 -0.153 0.000 0.826 248 D CB -0.370 40.399 40.800 -0.053 0.000 0.978 248 D HN 0.724 nan 8.370 nan 0.000 0.456 249 F N -1.180 118.811 119.950 0.068 0.000 2.682 249 F HA 0.408 4.936 4.527 0.002 0.000 0.308 249 F C 0.471 176.330 175.800 0.098 0.000 1.093 249 F CA -0.569 57.468 58.000 0.061 0.000 1.244 249 F CB -0.102 38.922 39.000 0.039 0.000 1.052 249 F HN -0.278 nan 8.300 nan 0.000 0.573 250 I N 3.867 124.501 120.570 0.106 0.000 2.306 250 I HA 0.333 4.504 4.170 0.002 0.000 0.288 250 I C -2.455 173.853 176.117 0.318 0.000 1.036 250 I CA -2.056 59.398 61.300 0.257 0.000 1.221 250 I CB 0.671 38.820 38.000 0.249 0.000 1.385 250 I HN -0.212 nan 8.210 nan 0.000 0.472 251 P HA 0.179 nan 4.420 nan 0.000 0.271 251 P C -0.999 176.474 177.300 0.289 0.000 1.220 251 P CA 0.164 63.342 63.100 0.131 0.000 0.768 251 P CB 0.258 31.993 31.700 0.060 0.000 0.848 252 F N -0.124 119.887 119.950 0.101 0.000 2.619 252 F HA 0.464 4.992 4.527 0.002 0.000 0.308 252 F C 0.767 176.593 175.800 0.044 0.000 1.097 252 F CA -1.003 57.066 58.000 0.115 0.000 0.953 252 F CB 0.789 39.865 39.000 0.127 0.000 1.287 252 F HN 0.016 nan 8.300 nan 0.000 0.446 253 Q N 0.960 120.836 119.800 0.126 0.000 1.969 253 Q HA -0.024 4.318 4.340 0.002 0.000 0.198 253 Q C -0.163 175.900 176.000 0.104 0.000 0.978 253 Q CA 1.806 57.619 55.803 0.017 0.000 0.830 253 Q CB -0.350 28.371 28.738 -0.030 0.000 0.896 253 Q HN 0.866 nan 8.270 nan 0.000 0.431 254 H N -1.251 117.841 119.070 0.037 0.000 2.637 254 H HA 0.542 5.099 4.556 0.002 0.000 0.363 254 H C -1.227 174.228 175.328 0.213 0.000 1.131 254 H CA -0.483 55.592 56.048 0.045 0.000 1.183 254 H CB 1.377 30.998 29.762 -0.236 0.000 1.637 254 H HN 0.042 nan 8.280 nan 0.000 0.531 255 M N 5.779 125.302 119.600 -0.129 0.000 2.404 255 M HA 0.460 4.941 4.480 0.002 0.000 0.338 255 M C -1.519 174.731 176.300 -0.083 0.000 1.150 255 M CA -0.702 54.546 55.300 -0.087 0.000 1.016 255 M CB 0.868 33.403 32.600 -0.109 0.000 1.672 255 M HN 0.599 nan 8.290 nan 0.000 0.448 256 I N 4.789 125.350 120.570 -0.015 0.000 2.355 256 I HA 0.271 4.442 4.170 0.002 0.000 0.288 256 I C -1.618 174.386 176.117 -0.189 0.000 0.999 256 I CA -0.725 60.544 61.300 -0.052 0.000 1.163 256 I CB 1.385 39.408 38.000 0.037 0.000 1.316 256 I HN 0.644 nan 8.210 nan 0.000 0.454 257 Y N 5.643 125.647 120.300 -0.495 0.000 2.335 257 Y HA 0.353 4.904 4.550 0.002 0.000 0.338 257 Y C 0.814 176.487 175.900 -0.378 0.000 0.977 257 Y CA -0.521 57.226 58.100 -0.588 0.000 1.114 257 Y CB 1.721 39.563 38.460 -1.031 0.000 1.182 257 Y HN 0.608 nan 8.280 nan 0.000 0.463 258 T N 1.099 115.127 114.554 -0.878 0.000 3.170 258 T HA 0.405 4.756 4.350 0.002 0.000 0.288 258 T C 0.649 174.970 174.700 -0.633 0.000 0.992 258 T CA 0.133 61.910 62.100 -0.539 0.000 0.909 258 T CB -0.367 68.335 68.868 -0.276 0.000 1.133 258 T HN 0.757 nan 8.240 nan 0.000 0.530 259 G N 2.363 110.414 108.800 -1.249 0.000 2.535 259 G HA2 0.586 4.547 3.960 0.002 0.000 0.282 259 G HA3 0.586 4.547 3.960 0.002 0.000 0.282 259 G C -2.798 171.973 174.900 -0.215 0.000 1.350 259 G CA -1.698 42.998 45.100 -0.673 0.000 1.039 259 G HN 0.206 nan 8.290 nan 0.000 0.509 260 P HA 0.120 nan 4.420 nan 0.000 0.268 260 P C 1.268 178.769 177.300 0.336 0.000 1.204 260 P CA -0.341 62.783 63.100 0.040 0.000 0.768 260 P CB 1.044 32.609 31.700 -0.224 0.000 0.842 261 V N 1.616 121.780 119.914 0.416 0.000 2.343 261 V HA -0.262 3.859 4.120 0.002 0.000 0.247 261 V C 1.906 178.058 176.094 0.097 0.000 1.051 261 V CA 2.315 64.843 62.300 0.380 0.000 1.036 261 V CB -1.620 30.435 31.823 0.386 0.000 0.654 261 V HN 0.480 nan 8.190 nan 0.000 0.451 262 D N 2.527 122.825 120.400 -0.170 0.000 2.117 262 D HA -0.168 4.473 4.640 0.002 0.000 0.197 262 D C 2.040 177.977 176.300 -0.606 0.000 0.987 262 D CA 1.975 55.608 54.000 -0.610 0.000 0.829 262 D CB -0.662 39.918 40.800 -0.367 0.000 0.961 262 D HN 0.512 nan 8.370 nan 0.000 0.460 263 A N -0.156 122.322 122.820 -0.570 0.000 2.019 263 A HA -0.062 4.259 4.320 0.002 0.000 0.219 263 A C 2.088 179.411 177.584 -0.435 0.000 1.164 263 A CA 1.045 52.562 52.037 -0.867 0.000 0.644 263 A CB -1.279 17.587 19.000 -0.223 0.000 0.805 263 A HN 0.294 nan 8.150 nan 0.000 0.449 264 F N -0.950 118.764 119.950 -0.393 0.000 2.293 264 F HA -0.004 4.524 4.527 0.002 0.000 0.300 264 F C 0.735 176.130 175.800 -0.675 0.000 1.086 264 F CA 1.024 58.667 58.000 -0.594 0.000 1.375 264 F CB 0.025 38.470 39.000 -0.926 0.000 1.045 264 F HN 0.180 nan 8.300 nan 0.000 0.516 265 F N 0.856 120.797 119.950 -0.015 0.000 2.925 265 F HA 0.221 4.749 4.527 0.002 0.000 0.302 265 F C 0.167 175.904 175.800 -0.104 0.000 1.189 265 F CA -0.730 57.263 58.000 -0.011 0.000 1.346 265 F CB -0.570 38.541 39.000 0.185 0.000 0.954 265 F HN -0.163 nan 8.300 nan 0.000 0.506 266 D N -0.163 120.143 120.400 -0.156 0.000 2.792 266 D HA -0.305 4.336 4.640 0.002 0.000 0.231 266 D C 0.245 176.620 176.300 0.126 0.000 1.160 266 D CA 1.128 55.075 54.000 -0.088 0.000 0.697 266 D CB -1.869 38.944 40.800 0.021 0.000 1.070 266 D HN 0.443 nan 8.370 nan 0.000 0.426 267 F N -3.508 116.561 119.950 0.198 0.000 3.093 267 F HA -0.389 4.139 4.527 0.002 0.000 0.287 267 F C 2.366 178.300 175.800 0.222 0.000 0.882 267 F CA 0.462 58.609 58.000 0.245 0.000 1.063 267 F CB -2.652 36.444 39.000 0.159 0.000 1.097 267 F HN 0.452 nan 8.300 nan 0.000 0.604 268 C N -2.411 117.027 119.300 0.230 0.000 2.410 268 C HA -0.185 4.276 4.460 0.002 0.000 0.281 268 C C 2.054 176.979 174.990 -0.108 0.000 1.318 268 C CA 1.153 60.148 59.018 -0.038 0.000 1.776 268 C CB -1.325 26.250 27.740 -0.275 0.000 1.942 268 C HN 0.542 nan 8.230 nan 0.000 0.508 269 Y N 2.508 122.885 120.300 0.129 0.000 2.524 269 Y HA 0.474 5.025 4.550 0.002 0.000 0.266 269 Y C 1.557 177.544 175.900 0.146 0.000 1.180 269 Y CA 0.134 58.224 58.100 -0.018 0.000 1.244 269 Y CB -0.690 37.524 38.460 -0.410 0.000 1.125 269 Y HN 0.719 nan 8.280 nan 0.000 0.524 270 G N 0.595 109.626 108.800 0.384 0.000 2.707 270 G HA2 -0.211 3.750 3.960 0.002 0.000 0.686 270 G HA3 -0.211 3.750 3.960 0.002 0.000 0.686 270 G C -0.899 174.261 174.900 0.435 0.000 1.315 270 G CA -1.163 44.134 45.100 0.330 0.000 0.832 270 G HN 0.136 nan 8.290 nan 0.000 0.573 271 K N 0.079 120.659 120.400 0.301 0.000 2.412 271 K HA 0.394 4.715 4.320 0.002 0.000 0.284 271 K C 0.820 177.599 176.600 0.297 0.000 1.046 271 K CA -0.265 56.209 56.287 0.312 0.000 0.999 271 K CB 0.308 32.898 32.500 0.149 0.000 0.941 271 K HN 0.566 nan 8.250 nan 0.000 0.474 272 L N 7.863 129.274 121.223 0.314 0.000 2.361 272 L HA 0.275 4.616 4.340 0.002 0.000 0.278 272 L C -2.052 174.899 176.870 0.135 0.000 1.113 272 L CA -2.047 52.882 54.840 0.148 0.000 0.849 272 L CB 0.974 43.028 42.059 -0.009 0.000 1.155 272 L HN 0.605 nan 8.230 nan 0.000 0.452 273 P HA 0.111 nan 4.420 nan 0.000 0.267 273 P C -1.587 175.761 177.300 0.079 0.000 1.209 273 P CA 0.463 63.653 63.100 0.151 0.000 0.763 273 P CB 0.231 32.025 31.700 0.156 0.000 0.816 274 Y N 1.870 122.331 120.300 0.269 0.000 2.409 274 Y HA 0.536 5.087 4.550 0.002 0.000 0.343 274 Y C 0.834 176.857 175.900 0.205 0.000 0.973 274 Y CA -0.984 57.266 58.100 0.250 0.000 1.064 274 Y CB 1.906 40.485 38.460 0.200 0.000 1.207 274 Y HN 0.159 nan 8.280 nan 0.000 0.452 275 R N 1.181 121.908 120.500 0.379 0.000 2.457 275 R HA 0.601 4.942 4.340 0.002 0.000 0.284 275 R C -0.335 176.147 176.300 0.303 0.000 1.024 275 R CA -0.123 56.131 56.100 0.258 0.000 1.025 275 R CB 1.321 31.673 30.300 0.087 0.000 1.063 275 R HN 0.697 nan 8.270 nan 0.000 0.493 276 S N 2.292 118.117 115.700 0.209 0.000 2.798 276 S HA 0.782 5.253 4.470 0.002 0.000 0.312 276 S C -1.288 173.488 174.600 0.293 0.000 1.122 276 S CA -0.727 57.620 58.200 0.245 0.000 0.949 276 S CB 0.641 63.891 63.200 0.082 0.000 1.235 276 S HN 0.408 nan 8.310 nan 0.000 0.552 277 L N 1.081 122.522 121.223 0.363 0.000 2.465 277 L HA 0.576 4.917 4.340 0.002 0.000 0.257 277 L C -0.865 175.915 176.870 -0.151 0.000 0.988 277 L CA -0.564 54.279 54.840 0.004 0.000 0.827 277 L CB 2.231 44.136 42.059 -0.257 0.000 1.397 277 L HN 0.684 nan 8.230 nan 0.000 0.410 278 E N 1.226 121.280 120.200 -0.244 0.000 2.199 278 E HA 0.553 4.904 4.350 0.002 0.000 0.269 278 E C -1.814 174.627 176.600 -0.265 0.000 0.899 278 E CA -0.579 55.728 56.400 -0.155 0.000 0.772 278 E CB 1.481 31.180 29.700 -0.002 0.000 1.155 278 E HN 0.327 nan 8.360 nan 0.000 0.408 279 F N 2.786 122.869 119.950 0.222 0.000 2.458 279 F HA 0.428 4.956 4.527 0.002 0.000 0.336 279 F C 0.411 176.285 175.800 0.123 0.000 1.114 279 F CA -0.911 57.177 58.000 0.146 0.000 0.987 279 F CB 1.515 40.572 39.000 0.095 0.000 1.130 279 F HN 0.297 nan 8.300 nan 0.000 0.458 280 R N 3.661 124.323 120.500 0.269 0.000 2.371 280 R HA 0.329 4.670 4.340 0.002 0.000 0.312 280 R C -1.262 175.121 176.300 0.139 0.000 0.980 280 R CA -0.507 55.724 56.100 0.219 0.000 0.867 280 R CB 0.403 30.857 30.300 0.257 0.000 1.163 280 R HN 0.711 nan 8.270 nan 0.000 0.492 281 H N 2.820 122.021 119.070 0.217 0.000 2.487 281 H HA 0.322 4.879 4.556 0.002 0.000 0.333 281 H C -0.530 174.880 175.328 0.137 0.000 1.114 281 H CA -0.228 55.931 56.048 0.184 0.000 1.310 281 H CB 1.840 31.676 29.762 0.124 0.000 1.462 281 H HN 0.607 nan 8.280 nan 0.000 0.516 282 E N 0.836 121.186 120.200 0.251 0.000 2.383 282 E HA 0.323 4.674 4.350 0.002 0.000 0.275 282 E C -0.971 175.675 176.600 0.077 0.000 0.918 282 E CA -0.825 55.647 56.400 0.120 0.000 0.764 282 E CB 2.440 32.224 29.700 0.140 0.000 1.252 282 E HN 0.402 nan 8.360 nan 0.000 0.449 283 T N 1.441 115.948 114.554 -0.080 0.000 2.824 283 T HA 0.440 4.791 4.350 0.002 0.000 0.282 283 T C -1.222 173.340 174.700 -0.230 0.000 0.993 283 T CA -0.683 61.375 62.100 -0.070 0.000 0.967 283 T CB 0.572 69.407 68.868 -0.054 0.000 0.960 283 T HN 0.322 nan 8.240 nan 0.000 0.441 284 H N 0.758 119.820 119.070 -0.013 0.000 2.524 284 H HA 0.354 4.911 4.556 0.002 0.000 0.353 284 H C -0.280 175.027 175.328 -0.034 0.000 1.136 284 H CA -0.765 55.277 56.048 -0.010 0.000 1.193 284 H CB 1.199 30.962 29.762 0.003 0.000 1.558 284 H HN 0.407 nan 8.280 nan 0.000 0.515 285 D N 2.297 122.748 120.400 0.086 0.000 2.934 285 D HA 0.076 4.717 4.640 0.002 0.000 0.237 285 D C -0.532 175.798 176.300 0.050 0.000 1.158 285 D CA 0.006 54.024 54.000 0.030 0.000 0.971 285 D CB -0.540 40.284 40.800 0.039 0.000 1.123 285 D HN 0.679 nan 8.370 nan 0.000 0.467 286 T N -3.142 111.440 114.554 0.047 0.000 2.816 286 T HA 0.314 4.665 4.350 0.002 0.000 0.299 286 T C 0.948 175.666 174.700 0.029 0.000 1.230 286 T CA -0.805 61.320 62.100 0.042 0.000 1.007 286 T CB 1.430 70.320 68.868 0.037 0.000 1.289 286 T HN -0.069 nan 8.240 nan 0.000 0.508 287 E N -0.067 120.153 120.200 0.034 0.000 2.285 287 E HA -0.011 4.340 4.350 0.002 0.000 0.194 287 E C 0.483 177.079 176.600 -0.008 0.000 0.997 287 E CA 0.642 57.058 56.400 0.027 0.000 0.845 287 E CB 0.318 30.040 29.700 0.036 0.000 0.782 287 E HN 0.559 nan 8.360 nan 0.000 0.491 288 Q N 0.383 120.180 119.800 -0.005 0.000 2.331 288 Q HA 0.134 4.475 4.340 0.002 0.000 0.249 288 Q C -0.573 175.429 176.000 0.003 0.000 0.913 288 Q CA -0.185 55.610 55.803 -0.013 0.000 0.874 288 Q CB 1.482 30.209 28.738 -0.019 0.000 1.384 288 Q HN 0.079 nan 8.270 nan 0.000 0.427 289 L N 4.132 125.353 121.223 -0.004 0.000 2.253 289 L HA 0.400 4.741 4.340 0.002 0.000 0.205 289 L C -0.583 176.272 176.870 -0.025 0.000 1.078 289 L CA 1.059 55.865 54.840 -0.056 0.000 0.805 289 L CB 0.612 42.579 42.059 -0.154 0.000 0.963 289 L HN 0.598 nan 8.230 nan 0.000 0.459 290 L N -0.167 121.079 121.223 0.038 0.000 2.319 290 L HA 0.428 4.769 4.340 0.002 0.000 0.267 290 L C -1.642 175.258 176.870 0.050 0.000 1.011 290 L CA -1.616 53.221 54.840 -0.005 0.000 0.818 290 L CB 1.313 43.307 42.059 -0.109 0.000 1.316 290 L HN -0.224 nan 8.230 nan 0.000 0.432 291 P HA 0.020 nan 4.420 nan 0.000 0.240 291 P C 0.065 177.285 177.300 -0.133 0.000 1.190 291 P CA 0.625 63.713 63.100 -0.021 0.000 0.781 291 P CB 0.383 32.058 31.700 -0.042 0.000 0.931 292 T N -5.990 108.323 114.554 -0.401 0.000 2.754 292 T HA 0.525 4.876 4.350 0.002 0.000 0.296 292 T C 1.372 175.534 174.700 -0.896 0.000 1.205 292 T CA -0.130 61.611 62.100 -0.599 0.000 1.009 292 T CB 0.868 69.534 68.868 -0.336 0.000 1.368 292 T HN -0.126 nan 8.240 nan 0.000 0.509 293 G N 0.302 108.788 108.800 -0.522 0.000 2.442 293 G HA2 0.232 4.193 3.960 0.002 0.000 0.219 293 G HA3 0.232 4.193 3.960 0.002 0.000 0.219 293 G C 0.317 175.133 174.900 -0.139 0.000 1.141 293 G CA 0.992 45.997 45.100 -0.159 0.000 0.763 293 G HN 0.940 nan 8.290 nan 0.000 0.554 294 T N -0.661 113.771 114.554 -0.204 0.000 2.971 294 T HA 0.485 4.836 4.350 0.002 0.000 0.304 294 T C -1.126 173.427 174.700 -0.244 0.000 1.038 294 T CA -0.511 61.476 62.100 -0.189 0.000 1.007 294 T CB 2.808 71.628 68.868 -0.080 0.000 1.055 294 T HN -0.061 nan 8.240 nan 0.000 0.451 295 V N 3.917 123.706 119.914 -0.210 0.000 2.398 295 V HA 0.462 4.583 4.120 0.002 0.000 0.286 295 V C -0.180 175.785 176.094 -0.214 0.000 1.026 295 V CA -0.941 61.215 62.300 -0.240 0.000 0.868 295 V CB 1.565 33.247 31.823 -0.235 0.000 0.982 295 V HN 0.733 nan 8.190 nan 0.000 0.443 296 N N 2.809 121.362 118.700 -0.246 0.000 2.509 296 N HA 0.465 5.206 4.740 0.002 0.000 0.287 296 N C -1.113 174.247 175.510 -0.251 0.000 1.121 296 N CA -0.227 52.776 53.050 -0.078 0.000 0.977 296 N CB 1.038 39.511 38.487 -0.023 0.000 1.167 296 N HN 0.570 nan 8.380 nan 0.000 0.476 297 Y N 1.127 121.537 120.300 0.183 0.000 2.787 297 Y HA 0.309 4.860 4.550 0.002 0.000 0.352 297 Y C -1.563 174.392 175.900 0.091 0.000 1.027 297 Y CA -1.586 56.590 58.100 0.126 0.000 1.219 297 Y CB 1.605 40.165 38.460 0.166 0.000 1.110 297 Y HN 0.541 nan 8.280 nan 0.000 0.614 298 P HA -0.079 nan 4.420 nan 0.000 0.220 298 P C 0.442 177.765 177.300 0.039 0.000 1.148 298 P CA 1.506 64.699 63.100 0.155 0.000 0.803 298 P CB 0.500 32.202 31.700 0.003 0.000 0.782 299 N N -1.654 117.051 118.700 0.008 0.000 2.143 299 N HA 0.108 4.849 4.740 0.002 0.000 0.222 299 N C -0.408 175.057 175.510 -0.076 0.000 1.264 299 N CA 0.221 53.241 53.050 -0.049 0.000 0.897 299 N CB 1.098 39.533 38.487 -0.086 0.000 1.092 299 N HN 0.154 nan 8.380 nan 0.000 0.516 300 D N 0.136 120.507 120.400 -0.048 0.000 2.756 300 D HA 0.325 4.966 4.640 0.002 0.000 0.226 300 D C -0.714 175.422 176.300 -0.272 0.000 1.186 300 D CA -0.142 53.720 54.000 -0.230 0.000 0.845 300 D CB 2.214 42.876 40.800 -0.231 0.000 1.610 300 D HN -0.178 nan 8.370 nan 0.000 0.465 301 Y N -0.594 119.484 120.300 -0.369 0.000 2.506 301 Y HA -0.253 4.298 4.550 0.002 0.000 0.020 301 Y C 1.000 176.582 175.900 -0.529 0.000 1.702 301 Y CA 0.071 57.784 58.100 -0.645 0.000 1.419 301 Y CB -0.946 36.631 38.460 -1.472 0.000 2.065 301 Y HN 0.522 nan 8.280 nan 0.000 0.254 302 A N 0.694 123.356 122.820 -0.263 0.000 2.119 302 A HA 0.112 4.434 4.320 0.002 0.000 0.216 302 A C 0.233 177.712 177.584 -0.175 0.000 1.152 302 A CA 1.208 53.189 52.037 -0.093 0.000 0.708 302 A CB -0.698 18.390 19.000 0.147 0.000 0.805 302 A HN 0.610 nan 8.150 nan 0.000 0.460 303 Y N -1.955 118.183 120.300 -0.271 0.000 2.307 303 Y HA 0.498 5.049 4.550 0.002 0.000 0.324 303 Y C 1.421 177.174 175.900 -0.246 0.000 1.238 303 Y CA -0.371 57.416 58.100 -0.522 0.000 1.280 303 Y CB 0.033 38.076 38.460 -0.694 0.000 1.248 303 Y HN 0.036 nan 8.280 nan 0.000 0.508 304 T N -1.174 113.329 114.554 -0.085 0.000 3.009 304 T HA 0.192 4.543 4.350 0.002 0.000 0.258 304 T C 0.243 175.036 174.700 0.155 0.000 1.063 304 T CA 0.499 62.502 62.100 -0.162 0.000 1.139 304 T CB -0.196 68.401 68.868 -0.451 0.000 0.890 304 T HN 0.856 nan 8.240 nan 0.000 0.471 305 R N -0.487 120.138 120.500 0.209 0.000 2.709 305 R HA 0.611 4.952 4.340 0.002 0.000 0.270 305 R C -2.368 173.926 176.300 -0.010 0.000 1.038 305 R CA -1.085 55.145 56.100 0.217 0.000 0.872 305 R CB 1.194 31.576 30.300 0.138 0.000 1.259 305 R HN 0.009 nan 8.270 nan 0.000 0.473 306 V N 0.711 120.548 119.914 -0.128 0.000 2.555 306 V HA 0.651 4.772 4.120 0.002 0.000 0.302 306 V C -0.327 175.547 176.094 -0.366 0.000 1.038 306 V CA -0.814 61.184 62.300 -0.504 0.000 0.887 306 V CB 1.828 33.178 31.823 -0.789 0.000 0.991 306 V HN 0.823 nan 8.190 nan 0.000 0.434 307 S N 2.275 117.712 115.700 -0.439 0.000 2.536 307 S HA 0.601 5.072 4.470 0.002 0.000 0.298 307 S C -0.690 173.557 174.600 -0.588 0.000 1.083 307 S CA -0.670 57.266 58.200 -0.439 0.000 0.995 307 S CB 1.958 64.898 63.200 -0.432 0.000 1.058 307 S HN 0.894 nan 8.310 nan 0.000 0.488 308 E N 1.600 121.539 120.200 -0.434 0.000 2.182 308 E HA 0.342 4.693 4.350 0.002 0.000 0.258 308 E C -0.500 175.975 176.600 -0.208 0.000 0.879 308 E CA -0.444 55.787 56.400 -0.282 0.000 0.754 308 E CB 0.417 30.128 29.700 0.019 0.000 1.162 308 E HN 0.591 nan 8.360 nan 0.000 0.419 309 F N 3.292 123.207 119.950 -0.058 0.000 2.234 309 F HA -0.079 4.449 4.527 0.002 0.000 0.299 309 F C 1.975 177.700 175.800 -0.125 0.000 1.087 309 F CA 0.750 58.661 58.000 -0.149 0.000 1.340 309 F CB 0.042 38.898 39.000 -0.241 0.000 1.031 309 F HN 0.434 nan 8.300 nan 0.000 0.500 310 K N -0.484 119.945 120.400 0.048 0.000 2.152 310 K HA -0.187 4.134 4.320 0.002 0.000 0.206 310 K C 1.790 178.339 176.600 -0.086 0.000 1.048 310 K CA 1.256 57.519 56.287 -0.039 0.000 0.933 310 K CB -0.382 32.070 32.500 -0.079 0.000 0.721 310 K HN 0.398 nan 8.250 nan 0.000 0.447 311 H N 0.218 119.264 119.070 -0.040 0.000 2.387 311 H HA -0.078 4.479 4.556 0.002 0.000 0.299 311 H C 2.118 177.316 175.328 -0.216 0.000 1.090 311 H CA 1.387 57.423 56.048 -0.020 0.000 1.332 311 H CB 0.027 29.823 29.762 0.057 0.000 1.386 311 H HN 0.188 nan 8.280 nan 0.000 0.516 312 I N 0.380 120.854 120.570 -0.159 0.000 2.400 312 I HA -0.149 4.022 4.170 0.002 0.000 0.248 312 I C 2.556 178.435 176.117 -0.397 0.000 1.109 312 I CA 1.397 62.381 61.300 -0.526 0.000 1.425 312 I CB -0.023 37.906 38.000 -0.119 0.000 1.094 312 I HN 0.245 nan 8.210 nan 0.000 0.425 313 T N -2.411 112.050 114.554 -0.155 0.000 3.054 313 T HA 0.211 4.562 4.350 0.002 0.000 0.259 313 T C 1.721 176.382 174.700 -0.065 0.000 1.092 313 T CA 0.578 62.628 62.100 -0.084 0.000 1.121 313 T CB 0.317 69.154 68.868 -0.050 0.000 0.912 313 T HN 0.474 nan 8.240 nan 0.000 0.489 314 G N 1.183 109.940 108.800 -0.070 0.000 2.184 314 G HA2 -0.325 3.636 3.960 0.002 0.000 0.264 314 G HA3 -0.325 3.636 3.960 0.002 0.000 0.264 314 G C -0.059 174.845 174.900 0.006 0.000 0.975 314 G CA 0.364 45.452 45.100 -0.021 0.000 0.642 314 G HN 0.920 nan 8.290 nan 0.000 0.536 315 Q N 0.278 120.085 119.800 0.013 0.000 2.349 315 Q HA 0.290 4.631 4.340 0.002 0.000 0.287 315 Q C 0.712 176.753 176.000 0.068 0.000 1.044 315 Q CA -0.088 55.750 55.803 0.058 0.000 0.918 315 Q CB 0.341 29.125 28.738 0.077 0.000 1.242 315 Q HN 0.563 nan 8.270 nan 0.000 0.405 316 R N 3.140 123.696 120.500 0.094 0.000 2.407 316 R HA 0.318 4.659 4.340 0.002 0.000 0.303 316 R C -1.410 174.994 176.300 0.173 0.000 0.981 316 R CA -0.385 55.773 56.100 0.097 0.000 0.905 316 R CB 0.948 31.285 30.300 0.062 0.000 1.099 316 R HN 0.773 nan 8.270 nan 0.000 0.459 317 H N 2.779 121.880 119.070 0.053 0.000 3.094 317 H HA 0.028 4.585 4.556 0.002 0.000 0.335 317 H C -0.104 175.283 175.328 0.098 0.000 1.254 317 H CA -0.429 55.670 56.048 0.086 0.000 1.240 317 H CB 1.131 30.930 29.762 0.061 0.000 1.936 317 H HN 0.942 nan 8.280 nan 0.000 0.536 318 H N 2.054 121.176 119.070 0.087 0.000 2.529 318 H HA 0.167 4.724 4.556 0.002 0.000 0.277 318 H C -0.358 175.104 175.328 0.224 0.000 0.999 318 H CA 0.281 56.400 56.048 0.117 0.000 1.256 318 H CB 0.922 30.692 29.762 0.014 0.000 1.402 318 H HN 0.459 nan 8.280 nan 0.000 0.566 319 Q N 0.107 119.923 119.800 0.028 0.000 2.699 319 Q HA 0.491 4.832 4.340 0.002 0.000 0.240 319 Q C -0.736 175.216 176.000 -0.080 0.000 1.033 319 Q CA -0.920 54.812 55.803 -0.117 0.000 0.938 319 Q CB 2.184 30.779 28.738 -0.237 0.000 1.312 319 Q HN 0.163 nan 8.270 nan 0.000 0.507 320 T N -0.265 114.238 114.554 -0.085 0.000 2.982 320 T HA 0.448 4.799 4.350 0.002 0.000 0.321 320 T C -1.568 173.135 174.700 0.005 0.000 1.229 320 T CA -0.406 61.658 62.100 -0.059 0.000 1.044 320 T CB 1.467 70.329 68.868 -0.011 0.000 1.184 320 T HN 0.426 nan 8.240 nan 0.000 0.477 321 S N 1.879 117.593 115.700 0.023 0.000 2.503 321 S HA 0.846 5.317 4.470 0.002 0.000 0.301 321 S C -0.342 174.363 174.600 0.175 0.000 1.087 321 S CA -0.645 57.628 58.200 0.121 0.000 1.042 321 S CB 1.472 64.736 63.200 0.107 0.000 1.043 321 S HN 0.920 nan 8.310 nan 0.000 0.489 322 V N 0.343 120.352 119.914 0.159 0.000 3.160 322 V HA 0.973 5.094 4.120 0.002 0.000 0.310 322 V C -0.979 175.116 176.094 0.002 0.000 1.181 322 V CA -0.767 61.501 62.300 -0.053 0.000 1.047 322 V CB 1.789 33.518 31.823 -0.156 0.000 1.068 322 V HN 0.621 nan 8.190 nan 0.000 0.441 323 V N 1.729 121.492 119.914 -0.252 0.000 2.733 323 V HA 0.669 4.790 4.120 0.002 0.000 0.306 323 V C -1.692 174.208 176.094 -0.323 0.000 1.084 323 V CA -0.387 61.788 62.300 -0.210 0.000 0.905 323 V CB 2.013 33.721 31.823 -0.191 0.000 1.010 323 V HN 0.905 nan 8.190 nan 0.000 0.424 324 Y N 3.646 123.838 120.300 -0.180 0.000 2.361 324 Y HA 0.585 5.136 4.550 0.002 0.000 0.332 324 Y C 0.533 176.334 175.900 -0.165 0.000 1.101 324 Y CA -0.374 57.549 58.100 -0.295 0.000 1.137 324 Y CB 1.680 39.849 38.460 -0.486 0.000 1.207 324 Y HN 0.562 nan 8.280 nan 0.000 0.463 325 E N 2.513 122.655 120.200 -0.097 0.000 2.151 325 E HA 0.285 4.636 4.350 0.002 0.000 0.275 325 E C -1.729 174.709 176.600 -0.270 0.000 0.936 325 E CA -0.763 55.583 56.400 -0.090 0.000 0.777 325 E CB 1.160 30.855 29.700 -0.008 0.000 1.108 325 E HN 0.493 nan 8.360 nan 0.000 0.401 326 Y N 3.066 123.321 120.300 -0.075 0.000 2.356 326 Y HA 0.275 4.826 4.550 0.002 0.000 0.334 326 Y C -2.197 173.633 175.900 -0.116 0.000 0.958 326 Y CA -2.848 55.218 58.100 -0.058 0.000 1.196 326 Y CB 1.023 39.466 38.460 -0.028 0.000 1.137 326 Y HN 0.387 nan 8.280 nan 0.000 0.485 327 P HA 0.184 nan 4.420 nan 0.000 0.268 327 P C -0.429 176.869 177.300 -0.004 0.000 1.205 327 P CA -0.108 62.947 63.100 -0.075 0.000 0.771 327 P CB 0.775 32.373 31.700 -0.171 0.000 0.858 328 R N 1.495 121.999 120.500 0.007 0.000 2.651 328 R HA 0.506 4.847 4.340 0.002 0.000 0.278 328 R C 0.519 176.848 176.300 0.049 0.000 1.010 328 R CA -0.854 55.267 56.100 0.034 0.000 0.896 328 R CB 1.832 32.160 30.300 0.047 0.000 1.211 328 R HN 0.404 nan 8.270 nan 0.000 0.456 329 A N 1.211 124.062 122.820 0.052 0.000 2.016 329 A HA 0.003 4.324 4.320 0.002 0.000 0.217 329 A C 0.441 178.071 177.584 0.075 0.000 1.162 329 A CA 1.095 53.175 52.037 0.071 0.000 0.662 329 A CB 0.138 19.176 19.000 0.063 0.000 0.812 329 A HN 0.558 nan 8.150 nan 0.000 0.450 330 E N -1.813 118.421 120.200 0.057 0.000 2.212 330 E HA 0.553 4.904 4.350 0.002 0.000 0.268 330 E C 0.095 176.720 176.600 0.043 0.000 0.902 330 E CA 0.655 57.084 56.400 0.047 0.000 0.779 330 E CB 1.675 31.395 29.700 0.033 0.000 1.172 330 E HN 0.688 nan 8.360 nan 0.000 0.409 331 G N 2.586 111.403 108.800 0.027 0.000 2.315 331 G HA2 -0.075 3.886 3.960 0.002 0.000 0.296 331 G HA3 -0.075 3.886 3.960 0.002 0.000 0.296 331 G C -1.360 173.499 174.900 -0.069 0.000 1.289 331 G CA -0.903 44.202 45.100 0.008 0.000 0.996 331 G HN 0.528 nan 8.290 nan 0.000 0.487 332 D N 2.473 122.789 120.400 -0.140 0.000 2.525 332 D HA 0.359 5.000 4.640 0.002 0.000 0.235 332 D C -1.704 174.228 176.300 -0.613 0.000 1.137 332 D CA 0.146 53.937 54.000 -0.348 0.000 0.868 332 D CB 0.833 41.405 40.800 -0.380 0.000 1.180 332 D HN 0.266 nan 8.370 nan 0.000 0.465 333 P HA 0.050 nan 4.420 nan 0.000 0.276 333 P C -0.430 176.639 177.300 -0.385 0.000 1.243 333 P CA 0.201 63.088 63.100 -0.354 0.000 0.768 333 P CB 0.307 31.680 31.700 -0.546 0.000 0.856 334 Y N 1.402 121.777 120.300 0.125 0.000 2.589 334 Y HA 0.210 4.761 4.550 0.002 0.000 0.271 334 Y C 0.357 176.162 175.900 -0.159 0.000 1.107 334 Y CA -0.168 57.925 58.100 -0.011 0.000 1.273 334 Y CB 0.496 38.962 38.460 0.010 0.000 1.266 334 Y HN 0.199 nan 8.280 nan 0.000 0.504 335 Y N 1.090 121.536 120.300 0.243 0.000 2.361 335 Y HA 0.435 4.986 4.550 0.002 0.000 0.337 335 Y C -2.662 173.312 175.900 0.124 0.000 0.965 335 Y CA -3.659 54.495 58.100 0.091 0.000 1.091 335 Y CB 1.075 39.502 38.460 -0.056 0.000 1.182 335 Y HN -0.193 nan 8.280 nan 0.000 0.450 336 P HA 0.062 nan 4.420 nan 0.000 0.269 336 P C -0.668 176.497 177.300 -0.226 0.000 1.215 336 P CA -0.200 62.545 63.100 -0.591 0.000 0.780 336 P CB 0.805 31.799 31.700 -1.177 0.000 0.898 337 V N 3.660 123.467 119.914 -0.178 0.000 2.240 337 V HA 0.224 4.345 4.120 0.002 0.000 0.265 337 V C -2.180 173.848 176.094 -0.110 0.000 1.073 337 V CA -1.812 60.470 62.300 -0.030 0.000 0.857 337 V CB 0.570 32.471 31.823 0.131 0.000 1.114 337 V HN 0.493 nan 8.190 nan 0.000 0.469 338 P HA 0.286 nan 4.420 nan 0.000 0.269 338 P C -0.256 176.985 177.300 -0.099 0.000 1.263 338 P CA 0.149 63.180 63.100 -0.115 0.000 0.813 338 P CB 0.212 31.855 31.700 -0.096 0.000 0.868 339 R N 2.902 123.393 120.500 -0.014 0.000 2.716 339 R HA 0.447 4.788 4.340 0.002 0.000 0.271 339 R C -2.772 173.544 176.300 0.028 0.000 1.028 339 R CA -1.923 54.169 56.100 -0.012 0.000 0.883 339 R CB -0.144 30.142 30.300 -0.025 0.000 1.250 339 R HN -0.090 nan 8.270 nan 0.000 0.465 340 P HA -0.275 nan 4.420 nan 0.000 0.215 340 P C 0.959 178.277 177.300 0.031 0.000 1.157 340 P CA 1.870 64.984 63.100 0.023 0.000 0.874 340 P CB 0.080 31.786 31.700 0.009 0.000 0.790 341 E N -0.956 119.261 120.200 0.028 0.000 2.152 341 E HA -0.162 4.189 4.350 0.002 0.000 0.192 341 E C 1.400 178.025 176.600 0.040 0.000 0.983 341 E CA 1.043 57.458 56.400 0.025 0.000 0.818 341 E CB -0.863 28.851 29.700 0.023 0.000 0.758 341 E HN 0.163 nan 8.360 nan 0.000 0.467 342 N N 1.679 120.420 118.700 0.069 0.000 2.216 342 N HA -0.038 4.703 4.740 0.002 0.000 0.183 342 N C 1.854 177.429 175.510 0.109 0.000 1.017 342 N CA 1.537 54.645 53.050 0.095 0.000 0.861 342 N CB -0.412 38.187 38.487 0.187 0.000 0.986 342 N HN 0.348 nan 8.380 nan 0.000 0.428 343 A N 1.229 124.132 122.820 0.139 0.000 1.972 343 A HA -0.116 4.205 4.320 0.002 0.000 0.219 343 A C 2.003 179.656 177.584 0.114 0.000 1.169 343 A CA 1.229 53.365 52.037 0.166 0.000 0.635 343 A CB -0.148 18.928 19.000 0.126 0.000 0.810 343 A HN 0.116 nan 8.150 nan 0.000 0.446 344 E N -0.440 119.786 120.200 0.043 0.000 2.122 344 E HA -0.003 4.348 4.350 0.002 0.000 0.190 344 E C 2.037 178.594 176.600 -0.071 0.000 0.977 344 E CA 0.284 56.672 56.400 -0.020 0.000 0.820 344 E CB -0.411 29.267 29.700 -0.036 0.000 0.770 344 E HN 0.618 nan 8.360 nan 0.000 0.462 345 L N 0.474 121.673 121.223 -0.040 0.000 2.046 345 L HA -0.212 4.129 4.340 0.002 0.000 0.208 345 L C 2.534 179.399 176.870 -0.007 0.000 1.077 345 L CA 1.428 56.237 54.840 -0.052 0.000 0.747 345 L CB -0.306 41.775 42.059 0.037 0.000 0.896 345 L HN 0.146 nan 8.230 nan 0.000 0.432 346 Y N 1.020 121.253 120.300 -0.111 0.000 2.181 346 Y HA -0.304 4.247 4.550 0.002 0.000 0.288 346 Y C 2.488 178.368 175.900 -0.033 0.000 1.146 346 Y CA 1.873 59.907 58.100 -0.110 0.000 1.164 346 Y CB -0.245 38.044 38.460 -0.286 0.000 0.982 346 Y HN 0.027 nan 8.280 nan 0.000 0.515 347 K N 0.438 120.671 120.400 -0.278 0.000 2.113 347 K HA -0.212 4.109 4.320 0.002 0.000 0.208 347 K C 2.082 178.444 176.600 -0.396 0.000 1.047 347 K CA 2.024 58.101 56.287 -0.349 0.000 0.928 347 K CB -0.116 32.291 32.500 -0.155 0.000 0.716 347 K HN 0.310 nan 8.250 nan 0.000 0.446 348 K N -0.441 119.706 120.400 -0.422 0.000 1.991 348 K HA -0.183 4.138 4.320 0.002 0.000 0.212 348 K C 2.095 178.412 176.600 -0.471 0.000 1.049 348 K CA 1.955 57.880 56.287 -0.603 0.000 0.932 348 K CB -0.317 31.528 32.500 -1.092 0.000 0.717 348 K HN 0.191 nan 8.250 nan 0.000 0.441 349 Y N 1.199 121.339 120.300 -0.267 0.000 2.207 349 Y HA -0.231 4.320 4.550 0.002 0.000 0.287 349 Y C 2.514 178.136 175.900 -0.463 0.000 1.156 349 Y CA 1.333 59.292 58.100 -0.235 0.000 1.182 349 Y CB -0.094 38.337 38.460 -0.050 0.000 0.979 349 Y HN 0.259 nan 8.280 nan 0.000 0.521 350 E N 0.339 120.226 120.200 -0.521 0.000 2.110 350 E HA -0.239 4.112 4.350 0.002 0.000 0.193 350 E C 2.286 178.679 176.600 -0.346 0.000 0.988 350 E CA 0.960 57.029 56.400 -0.552 0.000 0.804 350 E CB -0.154 29.103 29.700 -0.738 0.000 0.745 350 E HN 0.453 nan 8.360 nan 0.000 0.458 351 A N 0.999 123.634 122.820 -0.308 0.000 1.930 351 A HA -0.107 4.214 4.320 0.002 0.000 0.217 351 A C 2.184 179.630 177.584 -0.230 0.000 1.175 351 A CA 0.825 52.730 52.037 -0.221 0.000 0.627 351 A CB -0.535 18.348 19.000 -0.194 0.000 0.815 351 A HN 0.294 nan 8.150 nan 0.000 0.443 352 L N -0.790 120.221 121.223 -0.353 0.000 2.042 352 L HA -0.231 4.110 4.340 0.002 0.000 0.210 352 L C 3.108 179.786 176.870 -0.321 0.000 1.076 352 L CA 1.189 55.723 54.840 -0.510 0.000 0.749 352 L CB -0.598 40.740 42.059 -1.202 0.000 0.893 352 L HN 0.465 nan 8.230 nan 0.000 0.432 353 A N -0.241 122.364 122.820 -0.358 0.000 1.873 353 A HA -0.216 4.105 4.320 0.002 0.000 0.215 353 A C 1.919 179.450 177.584 -0.088 0.000 1.186 353 A CA 1.801 53.613 52.037 -0.374 0.000 0.616 353 A CB -0.512 17.791 19.000 -1.160 0.000 0.823 353 A HN 0.335 nan 8.150 nan 0.000 0.442 354 D N 0.178 120.515 120.400 -0.106 0.000 2.149 354 D HA -0.098 4.543 4.640 0.002 0.000 0.198 354 D C 2.109 178.437 176.300 0.046 0.000 0.990 354 D CA 1.524 55.522 54.000 -0.003 0.000 0.839 354 D CB -0.312 40.468 40.800 -0.034 0.000 0.948 354 D HN 0.448 nan 8.370 nan 0.000 0.460 355 A N 0.697 123.533 122.820 0.026 0.000 1.968 355 A HA 0.194 4.515 4.320 0.002 0.000 0.217 355 A C 1.495 179.157 177.584 0.129 0.000 1.169 355 A CA 0.878 52.950 52.037 0.058 0.000 0.638 355 A CB -0.288 18.724 19.000 0.020 0.000 0.812 355 A HN 0.185 nan 8.150 nan 0.000 0.446 356 A N 0.401 123.349 122.820 0.213 0.000 2.475 356 A HA 0.382 4.703 4.320 0.002 0.000 0.293 356 A C 0.887 178.603 177.584 0.220 0.000 1.252 356 A CA -0.143 52.059 52.037 0.274 0.000 0.920 356 A CB -0.059 19.214 19.000 0.454 0.000 1.125 356 A HN 0.493 nan 8.150 nan 0.000 0.528 357 Q N 1.421 121.319 119.800 0.164 0.000 2.084 357 Q HA -0.107 4.234 4.340 0.002 0.000 0.202 357 Q C 0.347 176.453 176.000 0.177 0.000 0.978 357 Q CA 1.884 57.781 55.803 0.156 0.000 0.844 357 Q CB 0.093 28.903 28.738 0.120 0.000 0.898 357 Q HN 0.747 nan 8.270 nan 0.000 0.426 358 D N -0.163 120.296 120.400 0.097 0.000 2.395 358 D HA 0.120 4.761 4.640 0.002 0.000 0.226 358 D C -0.782 175.241 176.300 -0.462 0.000 1.146 358 D CA 0.154 54.130 54.000 -0.039 0.000 0.830 358 D CB 0.560 41.370 40.800 0.016 0.000 0.958 358 D HN -0.033 nan 8.370 nan 0.000 0.501 359 V N 0.420 120.208 119.914 -0.209 0.000 2.577 359 V HA 0.339 4.460 4.120 0.002 0.000 0.303 359 V C 0.173 176.263 176.094 -0.007 0.000 1.042 359 V CA -0.708 61.440 62.300 -0.252 0.000 0.872 359 V CB 2.273 33.997 31.823 -0.166 0.000 0.998 359 V HN -0.138 nan 8.190 nan 0.000 0.423 360 T N 5.025 119.575 114.554 -0.007 0.000 2.794 360 T HA 0.681 5.032 4.350 0.002 0.000 0.280 360 T C -0.730 173.957 174.700 -0.023 0.000 0.987 360 T CA -0.116 62.098 62.100 0.190 0.000 0.993 360 T CB 0.738 69.795 68.868 0.316 0.000 0.939 360 T HN 0.297 nan 8.240 nan 0.000 0.449 361 F N 2.448 122.445 119.950 0.078 0.000 2.415 361 F HA 0.674 5.202 4.527 0.002 0.000 0.348 361 F C 0.269 176.128 175.800 0.099 0.000 1.119 361 F CA -0.851 57.196 58.000 0.078 0.000 1.069 361 F CB 1.448 40.511 39.000 0.103 0.000 1.124 361 F HN 0.261 nan 8.300 nan 0.000 0.472 362 V N 2.661 122.682 119.914 0.179 0.000 3.048 362 V HA 0.946 5.067 4.120 0.002 0.000 0.303 362 V C -0.498 175.660 176.094 0.107 0.000 1.214 362 V CA 0.220 62.611 62.300 0.152 0.000 0.984 362 V CB 1.496 33.392 31.823 0.121 0.000 1.054 362 V HN 1.252 nan 8.190 nan 0.000 0.430 363 G N 4.609 113.496 108.800 0.143 0.000 2.479 363 G HA2 -0.075 3.886 3.960 0.002 0.000 0.686 363 G HA3 -0.075 3.886 3.960 0.002 0.000 0.686 363 G C 0.142 175.117 174.900 0.125 0.000 1.295 363 G CA 0.265 45.447 45.100 0.136 0.000 0.922 363 G HN 1.373 nan 8.290 nan 0.000 0.582 364 R N -0.417 120.164 120.500 0.135 0.000 2.096 364 R HA -0.054 4.287 4.340 0.002 0.000 0.240 364 R C 2.311 178.674 176.300 0.105 0.000 1.139 364 R CA 2.268 58.429 56.100 0.101 0.000 0.952 364 R CB -0.366 30.018 30.300 0.140 0.000 0.854 364 R HN 0.552 nan 8.270 nan 0.000 0.436 365 L N -0.355 120.938 121.223 0.116 0.000 2.095 365 L HA 0.038 4.380 4.340 0.002 0.000 0.204 365 L C 2.682 179.709 176.870 0.262 0.000 1.080 365 L CA 0.996 55.941 54.840 0.174 0.000 0.759 365 L CB -0.472 41.568 42.059 -0.032 0.000 0.914 365 L HN 0.302 nan 8.230 nan 0.000 0.439 366 A N -0.065 122.865 122.820 0.182 0.000 2.016 366 A HA -0.104 4.217 4.320 0.002 0.000 0.217 366 A C 2.081 179.899 177.584 0.390 0.000 1.162 366 A CA 1.748 53.974 52.037 0.315 0.000 0.662 366 A CB -0.527 18.605 19.000 0.220 0.000 0.812 366 A HN 0.486 nan 8.150 nan 0.000 0.450 367 T N -7.386 107.311 114.554 0.239 0.000 3.085 367 T HA 0.213 4.564 4.350 0.002 0.000 0.264 367 T C 0.263 174.844 174.700 -0.198 0.000 1.019 367 T CA 0.112 62.309 62.100 0.161 0.000 0.910 367 T CB -0.370 68.583 68.868 0.141 0.000 1.059 367 T HN 0.605 nan 8.240 nan 0.000 0.542 368 Y N 2.285 122.416 120.300 -0.281 0.000 3.125 368 Y HA -0.247 4.304 4.550 0.002 0.000 0.200 368 Y C -0.363 175.321 175.900 -0.360 0.000 1.373 368 Y CA -0.109 57.752 58.100 -0.398 0.000 1.180 368 Y CB -1.802 36.110 38.460 -0.912 0.000 1.381 368 Y HN 0.450 nan 8.280 nan 0.000 0.501 369 R N 1.286 121.594 120.500 -0.320 0.000 2.480 369 R HA 0.262 4.603 4.340 0.002 0.000 0.306 369 R C -0.745 175.444 176.300 -0.184 0.000 0.958 369 R CA -1.136 54.707 56.100 -0.429 0.000 0.861 369 R CB 1.051 30.770 30.300 -0.967 0.000 1.171 369 R HN 0.162 nan 8.270 nan 0.000 0.445 370 Y N 4.411 124.611 120.300 -0.167 0.000 2.604 370 Y HA 0.058 4.609 4.550 0.002 0.000 0.341 370 Y C -1.026 175.003 175.900 0.214 0.000 1.249 370 Y CA -0.521 57.617 58.100 0.063 0.000 1.926 370 Y CB -0.420 38.118 38.460 0.131 0.000 1.941 370 Y HN 0.370 nan 8.280 nan 0.000 0.426 371 Y N 2.157 122.619 120.300 0.270 0.000 2.361 371 Y HA 0.276 4.827 4.550 0.002 0.000 0.332 371 Y C 0.662 176.624 175.900 0.102 0.000 1.101 371 Y CA -1.623 56.551 58.100 0.124 0.000 1.137 371 Y CB 0.771 39.279 38.460 0.080 0.000 1.207 371 Y HN 0.335 nan 8.280 nan 0.000 0.463 372 N N 2.370 121.144 118.700 0.123 0.000 2.381 372 N HA 0.163 4.904 4.740 0.002 0.000 0.254 372 N C 1.287 176.723 175.510 -0.122 0.000 1.264 372 N CA -0.171 52.865 53.050 -0.024 0.000 0.942 372 N CB 0.601 38.980 38.487 -0.180 0.000 1.190 372 N HN 0.656 nan 8.380 nan 0.000 0.495 373 M N 0.300 119.782 119.600 -0.197 0.000 2.080 373 M HA -0.213 4.268 4.480 0.002 0.000 0.260 373 M C 1.486 177.555 176.300 -0.385 0.000 1.068 373 M CA 1.602 56.686 55.300 -0.359 0.000 1.109 373 M CB -0.347 32.034 32.600 -0.365 0.000 1.342 373 M HN 0.578 nan 8.290 nan 0.000 0.405 374 D N -0.067 120.133 120.400 -0.332 0.000 2.144 374 D HA -0.215 4.427 4.640 0.002 0.000 0.199 374 D C 1.675 177.845 176.300 -0.217 0.000 0.984 374 D CA 1.488 55.365 54.000 -0.206 0.000 0.834 374 D CB -0.617 39.960 40.800 -0.372 0.000 0.955 374 D HN 0.499 nan 8.370 nan 0.000 0.465 375 Q N 0.255 119.868 119.800 -0.311 0.000 2.084 375 Q HA -0.067 4.274 4.340 0.002 0.000 0.202 375 Q C 2.654 178.454 176.000 -0.332 0.000 0.978 375 Q CA 1.203 56.738 55.803 -0.448 0.000 0.844 375 Q CB 0.032 28.297 28.738 -0.789 0.000 0.898 375 Q HN 0.193 nan 8.270 nan 0.000 0.426 376 V N 0.253 120.087 119.914 -0.134 0.000 2.343 376 V HA -0.234 3.887 4.120 0.002 0.000 0.247 376 V C 2.226 178.343 176.094 0.039 0.000 1.051 376 V CA 1.397 63.736 62.300 0.064 0.000 1.036 376 V CB -0.436 31.473 31.823 0.143 0.000 0.654 376 V HN 0.197 nan 8.190 nan 0.000 0.451 377 V N 0.420 120.321 119.914 -0.022 0.000 2.287 377 V HA -0.287 3.834 4.120 0.002 0.000 0.248 377 V C 2.728 178.795 176.094 -0.045 0.000 1.053 377 V CA 2.127 64.435 62.300 0.013 0.000 1.027 377 V CB -1.243 30.613 31.823 0.054 0.000 0.646 377 V HN 0.567 nan 8.190 nan 0.000 0.447 378 A N -0.896 121.885 122.820 -0.066 0.000 1.940 378 A HA -0.320 4.001 4.320 0.002 0.000 0.219 378 A C 2.278 179.846 177.584 -0.027 0.000 1.176 378 A CA 2.213 54.211 52.037 -0.064 0.000 0.631 378 A CB -0.555 18.392 19.000 -0.088 0.000 0.814 378 A HN 0.618 nan 8.150 nan 0.000 0.446 379 Q N -0.650 119.149 119.800 -0.001 0.000 2.079 379 Q HA -0.108 4.233 4.340 0.002 0.000 0.200 379 Q C 2.250 178.300 176.000 0.084 0.000 0.974 379 Q CA 1.449 57.301 55.803 0.081 0.000 0.840 379 Q CB -0.329 28.522 28.738 0.188 0.000 0.898 379 Q HN 0.604 nan 8.270 nan 0.000 0.430 380 A N 1.053 123.913 122.820 0.067 0.000 1.883 380 A HA -0.188 4.133 4.320 0.002 0.000 0.217 380 A C 2.091 179.697 177.584 0.035 0.000 1.186 380 A CA 1.344 53.414 52.037 0.056 0.000 0.624 380 A CB -0.877 18.150 19.000 0.045 0.000 0.822 380 A HN 0.452 nan 8.150 nan 0.000 0.444 381 L N -0.817 120.384 121.223 -0.036 0.000 2.013 381 L HA -0.267 4.074 4.340 0.002 0.000 0.212 381 L C 3.132 180.054 176.870 0.088 0.000 1.073 381 L CA 1.347 56.165 54.840 -0.037 0.000 0.753 381 L CB -0.648 41.323 42.059 -0.146 0.000 0.890 381 L HN 0.470 nan 8.230 nan 0.000 0.432 382 A N -0.711 122.146 122.820 0.061 0.000 1.902 382 A HA -0.195 4.126 4.320 0.002 0.000 0.217 382 A C 2.333 179.969 177.584 0.087 0.000 1.181 382 A CA 2.276 54.356 52.037 0.071 0.000 0.623 382 A CB -0.885 18.149 19.000 0.058 0.000 0.818 382 A HN 0.396 nan 8.150 nan 0.000 0.443 383 T N -0.785 113.833 114.554 0.106 0.000 2.833 383 T HA -0.116 4.235 4.350 0.002 0.000 0.269 383 T C 1.540 176.312 174.700 0.120 0.000 1.054 383 T CA 1.485 63.652 62.100 0.112 0.000 1.135 383 T CB -0.371 68.572 68.868 0.125 0.000 0.869 383 T HN 0.499 nan 8.240 nan 0.000 0.466 384 F N 2.336 122.278 119.950 -0.013 0.000 2.075 384 F HA -0.054 4.474 4.527 0.002 0.000 0.297 384 F C 2.373 178.167 175.800 -0.010 0.000 1.113 384 F CA 1.216 59.197 58.000 -0.031 0.000 1.218 384 F CB -0.283 38.688 39.000 -0.048 0.000 0.984 384 F HN -0.082 nan 8.300 nan 0.000 0.472 385 R N 0.094 120.554 120.500 -0.066 0.000 2.103 385 R HA -0.190 4.152 4.340 0.002 0.000 0.242 385 R C 2.408 178.618 176.300 -0.150 0.000 1.142 385 R CA 1.913 57.920 56.100 -0.155 0.000 0.960 385 R CB -0.432 29.861 30.300 -0.013 0.000 0.858 385 R HN 0.341 nan 8.270 nan 0.000 0.439 386 R N 0.159 120.620 120.500 -0.066 0.000 2.073 386 R HA -0.126 4.216 4.340 0.002 0.000 0.234 386 R C 2.174 178.429 176.300 -0.076 0.000 1.134 386 R CA 1.122 57.198 56.100 -0.040 0.000 0.952 386 R CB -0.443 29.867 30.300 0.017 0.000 0.850 386 R HN 0.086 nan 8.270 nan 0.000 0.433 387 L N 1.356 122.519 121.223 -0.099 0.000 2.261 387 L HA -0.185 4.156 4.340 0.002 0.000 0.216 387 L C 2.377 179.151 176.870 -0.161 0.000 1.114 387 L CA 1.588 56.368 54.840 -0.100 0.000 0.777 387 L CB -0.649 41.373 42.059 -0.060 0.000 0.910 387 L HN 0.159 nan 8.230 nan 0.000 0.440 388 Q N -0.711 118.918 119.800 -0.284 0.000 1.916 388 Q HA 0.112 4.453 4.340 0.002 0.000 0.203 388 Q C 1.114 177.037 176.000 -0.128 0.000 0.983 388 Q CA 1.457 57.099 55.803 -0.269 0.000 0.846 388 Q CB -0.588 27.910 28.738 -0.399 0.000 0.909 388 Q HN 0.441 nan 8.270 nan 0.000 0.427 389 G N -0.535 108.205 108.800 -0.100 0.000 2.870 389 G HA2 0.421 4.382 3.960 0.002 0.000 0.299 389 G HA3 0.421 4.382 3.960 0.002 0.000 0.299 389 G C -1.247 173.616 174.900 -0.062 0.000 1.324 389 G CA -0.293 44.740 45.100 -0.112 0.000 0.808 389 G HN 0.247 nan 8.290 nan 0.000 0.535 390 Q N 0.000 119.773 119.800 -0.045 0.000 2.315 390 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 390 Q CA 0.000 55.774 55.803 -0.049 0.000 1.022 390 Q CB 0.000 28.727 28.738 -0.019 0.000 1.108 390 Q HN 0.000 nan 8.270 nan 0.000 0.481