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 3ocn_1_A DATA FIRST_RESID 50 DATA SEQUENCE ARSVRHIAIP AHRGLITDRN GEPLAVSTPV TTLWANPKEL MTAKERWPQL DATA SEQUENCE AAALGQDTKL FADRIEQNAE REFIYLVRGL TPEQGEGVIA LKVPGVYSIE DATA SEQUENCE EFRRFYPAGE VVAHAVGFTD VDDRGREGIE LAFDEWLAGV PGKRQVLKDR DATA SEQUENCE RGRVIKDVQV TKNAKPGKTL ALSIDLRLQY LAHRELRNAL LENGAKAGSL DATA SEQUENCE VIMDVKTGEI LAMTNQPTYN PNNRRNLQPA AMRNRAMIDV FEPGSTVKPF DATA SEQUENCE SMSAALASGR WKPSDIVDVY PGTLQIGRYT IRDVSRNSRQ LDLTGILIKS DATA SEQUENCE SNVGISKIAF DIGAESIYSV MQQVGLGQDT GLGFPGERVG NLPNHRKWPK DATA SEQUENCE AETATLAYGY GLSVTAIQLA HAYAALANDG KSVPLSMTRV DRVPDGVQVI DATA SEQUENCE SPEVASTVQG MLQQVVEAQG GVFRAQVPGY HAAGKSGTAR KVXXXXXXEN DATA SEQUENCE AYRSLFAGFA PATDPRIAMV VVIDEPSKAG YFGGLVSAPV FSKVMAGALR DATA SEQUENCE LMNVPPDNL 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 50 A HA 0.000 nan 4.320 nan 0.000 0.244 50 A C 0.000 177.584 177.584 -0.000 0.000 1.274 50 A CA 0.000 52.037 52.037 0.001 0.000 0.836 50 A CB 0.000 19.001 19.000 0.001 0.000 0.831 51 R N 0.262 120.759 120.500 -0.004 0.000 2.873 51 R HA 0.793 5.135 4.340 0.004 0.000 0.264 51 R C -0.523 175.769 176.300 -0.014 0.000 1.026 51 R CA -0.177 55.918 56.100 -0.008 0.000 1.002 51 R CB 1.968 32.261 30.300 -0.011 0.000 1.174 51 R HN 1.110 nan 8.270 nan 0.000 0.488 52 S N -0.472 115.217 115.700 -0.019 0.000 2.530 52 S HA 0.403 4.876 4.470 0.004 0.000 0.322 52 S C -0.291 174.277 174.600 -0.053 0.000 1.085 52 S CA -0.779 57.404 58.200 -0.030 0.000 1.096 52 S CB 1.357 64.545 63.200 -0.021 0.000 0.988 52 S HN 0.231 nan 8.310 nan 0.000 0.466 53 V N 5.174 125.046 119.914 -0.070 0.000 2.304 53 V HA 0.505 4.628 4.120 0.004 0.000 0.269 53 V C 0.019 176.011 176.094 -0.170 0.000 1.036 53 V CA -0.653 61.574 62.300 -0.123 0.000 0.840 53 V CB 0.075 31.832 31.823 -0.110 0.000 1.036 53 V HN 0.788 nan 8.190 nan 0.000 0.466 54 R N 2.685 123.060 120.500 -0.209 0.000 2.787 54 R HA 0.601 4.944 4.340 0.004 0.000 0.271 54 R C -0.670 175.421 176.300 -0.348 0.000 0.993 54 R CA -0.720 55.256 56.100 -0.206 0.000 0.993 54 R CB 1.449 31.658 30.300 -0.151 0.000 1.155 54 R HN 0.641 nan 8.270 nan 0.000 0.486 55 H N 1.565 120.581 119.070 -0.090 0.000 2.505 55 H HA 0.483 5.041 4.556 0.004 0.000 0.338 55 H C -0.219 175.041 175.328 -0.113 0.000 1.057 55 H CA -0.472 55.528 56.048 -0.081 0.000 1.202 55 H CB 1.914 31.636 29.762 -0.067 0.000 1.466 55 H HN 0.302 nan 8.280 nan 0.000 0.499 56 I N 2.239 122.812 120.570 0.004 0.000 2.447 56 I HA 0.299 4.471 4.170 0.004 0.000 0.287 56 I C 0.255 176.362 176.117 -0.017 0.000 1.023 56 I CA -0.884 60.380 61.300 -0.060 0.000 1.083 56 I CB 1.796 39.736 38.000 -0.099 0.000 1.245 56 I HN 0.518 nan 8.210 nan 0.000 0.434 57 A N 7.527 130.332 122.820 -0.025 0.000 2.440 57 A HA 0.563 4.886 4.320 0.004 0.000 0.251 57 A C -0.163 177.437 177.584 0.027 0.000 1.089 57 A CA -0.134 51.905 52.037 0.004 0.000 0.779 57 A CB 0.120 19.119 19.000 -0.002 0.000 1.022 57 A HN 0.692 nan 8.150 nan 0.000 0.492 58 I N 4.079 124.676 120.570 0.044 0.000 2.301 58 I HA 0.215 4.387 4.170 0.004 0.000 0.292 58 I C -2.095 174.082 176.117 0.100 0.000 1.046 58 I CA -1.866 59.477 61.300 0.071 0.000 1.282 58 I CB 1.191 39.231 38.000 0.068 0.000 1.409 58 I HN 0.416 nan 8.210 nan 0.000 0.484 59 P HA 0.052 nan 4.420 nan 0.000 0.266 59 P C -0.615 176.820 177.300 0.226 0.000 1.195 59 P CA -0.169 63.055 63.100 0.206 0.000 0.768 59 P CB 0.660 32.547 31.700 0.312 0.000 0.838 60 A N 2.676 125.564 122.820 0.114 0.000 2.274 60 A HA 0.241 4.564 4.320 0.004 0.000 0.309 60 A C 0.024 177.486 177.584 -0.205 0.000 1.226 60 A CA -0.473 51.569 52.037 0.008 0.000 0.853 60 A CB -0.161 18.827 19.000 -0.019 0.000 1.146 60 A HN 0.661 nan 8.150 nan 0.000 0.518 61 H N 3.160 121.919 119.070 -0.519 0.000 3.184 61 H HA -0.001 4.558 4.556 0.005 0.000 0.274 61 H C 0.545 175.581 175.328 -0.487 0.000 0.962 61 H CA 0.618 56.078 56.048 -0.980 0.000 1.441 61 H CB 0.162 29.505 29.762 -0.698 0.000 1.518 61 H HN 0.716 nan 8.280 nan 0.000 0.539 62 R N 3.476 123.539 120.500 -0.728 0.000 2.537 62 R HA 0.102 4.444 4.340 0.004 0.000 0.280 62 R C 0.162 176.271 176.300 -0.319 0.000 1.058 62 R CA 0.092 55.968 56.100 -0.372 0.000 1.057 62 R CB 0.336 30.484 30.300 -0.253 0.000 0.973 62 R HN 0.798 nan 8.270 nan 0.000 0.438 63 G N 4.280 113.022 108.800 -0.097 0.000 2.340 63 G HA2 0.082 4.045 3.960 0.004 0.000 0.245 63 G HA3 0.082 4.045 3.960 0.004 0.000 0.245 63 G C -0.311 174.607 174.900 0.030 0.000 1.294 63 G CA -0.564 44.540 45.100 0.008 0.000 0.896 63 G HN 0.601 nan 8.290 nan 0.000 0.522 64 L N 3.156 124.423 121.223 0.072 0.000 2.490 64 L HA 0.320 4.663 4.340 0.004 0.000 0.274 64 L C 0.194 177.110 176.870 0.076 0.000 1.201 64 L CA 0.189 55.071 54.840 0.070 0.000 0.869 64 L CB 0.291 42.404 42.059 0.089 0.000 1.123 64 L HN 0.406 nan 8.230 nan 0.000 0.484 65 I N 4.763 125.372 120.570 0.065 0.000 2.359 65 I HA 0.443 4.616 4.170 0.004 0.000 0.294 65 I C 0.355 176.501 176.117 0.048 0.000 0.987 65 I CA -0.330 61.003 61.300 0.055 0.000 1.225 65 I CB 1.578 39.618 38.000 0.066 0.000 1.366 65 I HN 0.823 nan 8.210 nan 0.000 0.466 66 T N 0.775 115.345 114.554 0.028 0.000 2.864 66 T HA 0.399 4.752 4.350 0.004 0.000 0.289 66 T C -0.552 174.152 174.700 0.008 0.000 1.082 66 T CA -0.926 61.188 62.100 0.024 0.000 1.009 66 T CB 1.977 70.859 68.868 0.022 0.000 1.234 66 T HN 0.587 nan 8.240 nan 0.000 0.526 67 D N -0.142 120.264 120.400 0.009 0.000 2.414 67 D HA 0.113 4.756 4.640 0.004 0.000 0.259 67 D C 1.555 177.852 176.300 -0.005 0.000 1.269 67 D CA -0.680 53.322 54.000 0.003 0.000 1.028 67 D CB 0.572 41.378 40.800 0.009 0.000 1.093 67 D HN 0.856 nan 8.370 nan 0.000 0.545 68 R N -0.278 120.218 120.500 -0.007 0.000 2.159 68 R HA -0.097 4.246 4.340 0.004 0.000 0.237 68 R C 0.528 176.827 176.300 -0.001 0.000 1.131 68 R CA 1.097 57.192 56.100 -0.009 0.000 0.982 68 R CB -0.538 29.757 30.300 -0.007 0.000 0.868 68 R HN 0.276 nan 8.270 nan 0.000 0.453 69 N N 0.009 118.710 118.700 0.003 0.000 2.235 69 N HA 0.096 4.839 4.740 0.004 0.000 0.209 69 N C 0.422 175.936 175.510 0.007 0.000 1.122 69 N CA 0.825 53.878 53.050 0.005 0.000 0.845 69 N CB 1.484 39.974 38.487 0.006 0.000 1.004 69 N HN 0.568 nan 8.380 nan 0.000 0.499 70 G N 0.797 109.601 108.800 0.008 0.000 2.157 70 G HA2 -0.212 3.750 3.960 0.004 0.000 0.239 70 G HA3 -0.212 3.750 3.960 0.004 0.000 0.239 70 G C -0.250 174.656 174.900 0.011 0.000 0.982 70 G CA -0.312 44.795 45.100 0.011 0.000 0.650 70 G HN 0.203 nan 8.290 nan 0.000 0.527 71 E N 1.711 121.916 120.200 0.008 0.000 2.289 71 E HA 0.326 4.679 4.350 0.004 0.000 0.278 71 E C -2.233 174.376 176.600 0.014 0.000 1.032 71 E CA -1.811 54.593 56.400 0.006 0.000 0.854 71 E CB 1.377 31.076 29.700 -0.002 0.000 1.046 71 E HN 0.290 nan 8.360 nan 0.000 0.409 72 P HA 0.088 nan 4.420 nan 0.000 0.271 72 P C 0.162 177.488 177.300 0.043 0.000 1.226 72 P CA 0.152 63.270 63.100 0.030 0.000 0.765 72 P CB 0.846 32.561 31.700 0.025 0.000 0.835 73 L N 2.031 123.294 121.223 0.066 0.000 2.653 73 L HA 0.402 4.745 4.340 0.004 0.000 0.230 73 L C 0.973 177.959 176.870 0.194 0.000 1.055 73 L CA 0.292 55.196 54.840 0.107 0.000 0.880 73 L CB 0.193 42.306 42.059 0.090 0.000 1.195 73 L HN 0.332 nan 8.230 nan 0.000 0.492 74 A N 0.647 123.553 122.820 0.142 0.000 2.414 74 A HA 0.676 4.999 4.320 0.004 0.000 0.286 74 A C -1.173 176.405 177.584 -0.011 0.000 1.073 74 A CA -0.295 51.798 52.037 0.092 0.000 0.727 74 A CB 1.337 20.486 19.000 0.250 0.000 1.215 74 A HN -0.131 nan 8.150 nan 0.000 0.430 75 V N 1.603 121.469 119.914 -0.081 0.000 2.531 75 V HA 0.470 4.593 4.120 0.004 0.000 0.301 75 V C 0.397 176.471 176.094 -0.033 0.000 1.034 75 V CA -0.555 61.733 62.300 -0.020 0.000 0.865 75 V CB 1.874 33.718 31.823 0.035 0.000 0.995 75 V HN 0.810 nan 8.190 nan 0.000 0.424 76 S N 3.481 119.134 115.700 -0.079 0.000 2.439 76 S HA 0.493 4.966 4.470 0.004 0.000 0.282 76 S C 0.362 175.054 174.600 0.153 0.000 1.170 76 S CA -0.372 57.793 58.200 -0.059 0.000 1.054 76 S CB 0.512 63.523 63.200 -0.315 0.000 0.956 76 S HN 0.983 nan 8.310 nan 0.000 0.490 77 T N 2.772 117.493 114.554 0.278 0.000 2.859 77 T HA 0.627 4.980 4.350 0.004 0.000 0.281 77 T C -3.127 171.751 174.700 0.296 0.000 1.005 77 T CA -2.687 59.598 62.100 0.309 0.000 1.025 77 T CB 1.340 70.355 68.868 0.246 0.000 0.977 77 T HN 0.155 nan 8.240 nan 0.000 0.458 78 P HA 0.398 nan 4.420 nan 0.000 0.271 78 P C -0.440 176.842 177.300 -0.029 0.000 1.216 78 P CA -0.412 62.629 63.100 -0.098 0.000 0.771 78 P CB 0.770 32.398 31.700 -0.119 0.000 0.864 79 V N -0.315 119.554 119.914 -0.076 0.000 3.182 79 V HA 0.764 4.887 4.120 0.004 0.000 0.308 79 V C -0.744 175.338 176.094 -0.020 0.000 1.240 79 V CA -0.830 61.469 62.300 -0.001 0.000 1.063 79 V CB 1.900 33.758 31.823 0.059 0.000 1.076 79 V HN 0.398 nan 8.190 nan 0.000 0.446 80 T N 1.750 116.316 114.554 0.020 0.000 2.797 80 T HA 0.698 5.050 4.350 0.004 0.000 0.279 80 T C -0.106 174.640 174.700 0.076 0.000 0.991 80 T CA -0.074 62.050 62.100 0.040 0.000 0.979 80 T CB 1.188 70.076 68.868 0.034 0.000 0.943 80 T HN 1.285 nan 8.240 nan 0.000 0.444 81 T N 1.659 116.289 114.554 0.126 0.000 2.786 81 T HA 0.660 5.012 4.350 0.004 0.000 0.283 81 T C -0.332 174.520 174.700 0.254 0.000 0.992 81 T CA -0.913 61.300 62.100 0.187 0.000 0.954 81 T CB 0.215 69.225 68.868 0.237 0.000 0.934 81 T HN 0.418 nan 8.240 nan 0.000 0.440 82 L N 4.984 126.330 121.223 0.205 0.000 2.312 82 L HA 0.667 5.010 4.340 0.004 0.000 0.281 82 L C 0.170 177.180 176.870 0.234 0.000 1.070 82 L CA -0.989 53.942 54.840 0.152 0.000 0.805 82 L CB 0.680 42.770 42.059 0.051 0.000 1.174 82 L HN 0.709 nan 8.230 nan 0.000 0.434 83 W N 2.265 123.544 121.300 -0.034 0.000 2.962 83 W HA 0.886 5.548 4.660 0.004 0.000 0.341 83 W C -1.507 174.873 176.519 -0.231 0.000 1.155 83 W CA -1.371 55.821 57.345 -0.256 0.000 1.165 83 W CB 1.638 30.729 29.460 -0.616 0.000 1.435 83 W HN 0.553 nan 8.180 nan 0.000 0.546 84 A N 2.075 124.794 122.820 -0.168 0.000 2.454 84 A HA 0.479 4.802 4.320 0.004 0.000 0.302 84 A C -1.425 176.114 177.584 -0.075 0.000 1.079 84 A CA -0.858 51.059 52.037 -0.199 0.000 0.731 84 A CB 1.791 20.713 19.000 -0.129 0.000 1.299 84 A HN 0.584 nan 8.150 nan 0.000 0.413 85 N N 1.745 120.422 118.700 -0.038 0.000 2.485 85 N HA 0.430 5.173 4.740 0.004 0.000 0.243 85 N C -2.134 173.397 175.510 0.034 0.000 0.987 85 N CA -2.196 50.888 53.050 0.057 0.000 0.940 85 N CB 1.436 39.973 38.487 0.082 0.000 1.122 85 N HN 0.149 nan 8.380 nan 0.000 0.509 86 P HA -0.166 nan 4.420 nan 0.000 0.216 86 P C 0.725 178.066 177.300 0.069 0.000 1.150 86 P CA 1.518 64.623 63.100 0.007 0.000 0.843 86 P CB 0.305 31.998 31.700 -0.012 0.000 0.787 87 K N -0.291 120.151 120.400 0.069 0.000 2.074 87 K HA -0.228 4.095 4.320 0.004 0.000 0.209 87 K C 2.189 178.843 176.600 0.089 0.000 1.048 87 K CA 1.664 57.996 56.287 0.075 0.000 0.926 87 K CB -0.335 32.203 32.500 0.063 0.000 0.713 87 K HN 0.236 nan 8.250 nan 0.000 0.444 88 E N 0.831 121.087 120.200 0.093 0.000 2.112 88 E HA -0.079 4.274 4.350 0.004 0.000 0.190 88 E C 1.961 178.643 176.600 0.135 0.000 0.979 88 E CA 0.340 56.801 56.400 0.102 0.000 0.814 88 E CB 0.112 29.880 29.700 0.112 0.000 0.762 88 E HN 0.176 nan 8.360 nan 0.000 0.460 89 L N 0.315 121.635 121.223 0.162 0.000 2.042 89 L HA -0.204 4.139 4.340 0.004 0.000 0.210 89 L C 2.523 179.690 176.870 0.495 0.000 1.076 89 L CA 0.791 55.821 54.840 0.317 0.000 0.749 89 L CB -0.321 41.830 42.059 0.152 0.000 0.893 89 L HN 0.323 nan 8.230 nan 0.000 0.432 90 M N -0.502 119.307 119.600 0.349 0.000 2.279 90 M HA -0.131 4.351 4.480 0.004 0.000 0.264 90 M C 2.329 178.679 176.300 0.084 0.000 1.062 90 M CA 1.975 57.435 55.300 0.268 0.000 1.099 90 M CB -1.375 31.331 32.600 0.178 0.000 1.394 90 M HN 0.430 nan 8.290 nan 0.000 0.426 91 T N -2.372 112.232 114.554 0.083 0.000 3.148 91 T HA 0.329 4.682 4.350 0.004 0.000 0.253 91 T C 0.802 175.499 174.700 -0.005 0.000 1.134 91 T CA 0.602 62.716 62.100 0.024 0.000 1.051 91 T CB -0.148 68.740 68.868 0.034 0.000 0.959 91 T HN 0.310 nan 8.240 nan 0.000 0.525 92 A N 0.504 123.330 122.820 0.010 0.000 3.365 92 A HA 0.504 4.827 4.320 0.004 0.000 0.258 92 A C 1.152 178.629 177.584 -0.177 0.000 0.964 92 A CA -0.764 51.256 52.037 -0.028 0.000 0.988 92 A CB 0.267 19.299 19.000 0.053 0.000 1.193 92 A HN 0.289 nan 8.150 nan 0.000 0.508 93 K N 0.937 121.035 120.400 -0.503 0.000 2.147 93 K HA -0.160 4.162 4.320 0.004 0.000 0.205 93 K C 1.764 177.960 176.600 -0.673 0.000 1.049 93 K CA 1.495 57.050 56.287 -1.219 0.000 0.936 93 K CB 0.111 31.962 32.500 -1.082 0.000 0.722 93 K HN 0.801 nan 8.250 nan 0.000 0.446 94 E N 1.198 121.210 120.200 -0.315 0.000 2.219 94 E HA -0.229 4.124 4.350 0.004 0.000 0.198 94 E C 1.375 177.947 176.600 -0.047 0.000 0.998 94 E CA 1.157 57.470 56.400 -0.146 0.000 0.818 94 E CB -0.117 29.525 29.700 -0.096 0.000 0.741 94 E HN 0.171 nan 8.360 nan 0.000 0.477 95 R N -0.545 119.961 120.500 0.010 0.000 2.297 95 R HA 0.037 4.379 4.340 0.004 0.000 0.197 95 R C 1.663 178.128 176.300 0.274 0.000 0.943 95 R CA 0.275 56.447 56.100 0.119 0.000 1.038 95 R CB -0.527 29.847 30.300 0.124 0.000 0.957 95 R HN 0.282 nan 8.270 nan 0.000 0.484 96 W N 1.838 123.183 121.300 0.074 0.000 2.354 96 W HA -0.020 4.643 4.660 0.005 0.000 0.315 96 W C -0.646 175.899 176.519 0.044 0.000 1.206 96 W CA 0.706 58.153 57.345 0.171 0.000 1.290 96 W CB -1.988 27.632 29.460 0.267 0.000 1.152 96 W HN 0.117 nan 8.180 nan 0.000 0.489 97 P HA -0.213 nan 4.420 nan 0.000 0.216 97 P C 1.628 178.926 177.300 -0.003 0.000 1.150 97 P CA 2.188 65.353 63.100 0.107 0.000 0.837 97 P CB -0.231 31.524 31.700 0.092 0.000 0.786 98 Q N -0.840 118.966 119.800 0.009 0.000 2.124 98 Q HA -0.164 4.178 4.340 0.004 0.000 0.202 98 Q C 1.946 177.892 176.000 -0.089 0.000 0.977 98 Q CA 1.013 56.798 55.803 -0.031 0.000 0.850 98 Q CB -0.571 28.161 28.738 -0.010 0.000 0.901 98 Q HN 0.113 nan 8.270 nan 0.000 0.429 99 L N 0.068 121.219 121.223 -0.121 0.000 2.156 99 L HA 0.016 4.358 4.340 0.004 0.000 0.208 99 L C 2.048 178.627 176.870 -0.485 0.000 1.095 99 L CA 1.759 56.453 54.840 -0.244 0.000 0.770 99 L CB -0.556 41.385 42.059 -0.197 0.000 0.914 99 L HN 0.186 nan 8.230 nan 0.000 0.439 100 A N -0.331 122.126 122.820 -0.606 0.000 1.902 100 A HA -0.092 4.231 4.320 0.004 0.000 0.217 100 A C 2.471 179.884 177.584 -0.285 0.000 1.181 100 A CA 1.653 53.314 52.037 -0.626 0.000 0.623 100 A CB -1.129 17.634 19.000 -0.395 0.000 0.818 100 A HN 0.532 nan 8.150 nan 0.000 0.443 101 A N 0.005 122.718 122.820 -0.178 0.000 1.908 101 A HA 0.094 4.417 4.320 0.004 0.000 0.218 101 A C 2.526 180.048 177.584 -0.104 0.000 1.181 101 A CA 2.317 54.291 52.037 -0.106 0.000 0.627 101 A CB -1.115 17.843 19.000 -0.070 0.000 0.818 101 A HN 1.119 nan 8.150 nan 0.000 0.445 102 A N -0.351 122.394 122.820 -0.125 0.000 1.908 102 A HA -0.072 4.251 4.320 0.004 0.000 0.218 102 A C 2.005 179.531 177.584 -0.097 0.000 1.181 102 A CA 1.609 53.585 52.037 -0.101 0.000 0.627 102 A CB -0.585 18.351 19.000 -0.106 0.000 0.818 102 A HN 0.494 nan 8.150 nan 0.000 0.445 103 L N -0.954 120.184 121.223 -0.141 0.000 2.599 103 L HA 0.183 4.525 4.340 0.004 0.000 0.230 103 L C 1.500 178.328 176.870 -0.070 0.000 1.141 103 L CA 0.372 55.151 54.840 -0.102 0.000 0.877 103 L CB -0.453 41.528 42.059 -0.131 0.000 1.009 103 L HN 0.590 nan 8.230 nan 0.000 0.447 104 G N 0.968 109.723 108.800 -0.075 0.000 2.273 104 G HA2 -0.317 3.646 3.960 0.004 0.000 0.280 104 G HA3 -0.317 3.646 3.960 0.004 0.000 0.280 104 G C -0.055 174.825 174.900 -0.032 0.000 1.047 104 G CA 0.324 45.397 45.100 -0.044 0.000 0.869 104 G HN 0.464 nan 8.290 nan 0.000 0.502 105 Q N -0.766 119.002 119.800 -0.054 0.000 2.387 105 Q HA 0.514 4.857 4.340 0.004 0.000 0.273 105 Q C -0.266 175.734 176.000 0.001 0.000 1.089 105 Q CA -0.927 54.870 55.803 -0.010 0.000 0.824 105 Q CB 1.337 30.087 28.738 0.020 0.000 1.367 105 Q HN 0.254 nan 8.270 nan 0.000 0.443 106 D N 0.060 120.486 120.400 0.043 0.000 2.443 106 D HA 0.007 4.649 4.640 0.004 0.000 0.239 106 D C 0.443 176.801 176.300 0.096 0.000 1.136 106 D CA 0.523 54.556 54.000 0.055 0.000 0.879 106 D CB 1.167 42.002 40.800 0.059 0.000 1.195 106 D HN 0.571 nan 8.370 nan 0.000 0.443 107 T N 2.623 117.229 114.554 0.088 0.000 2.746 107 T HA -0.153 4.200 4.350 0.004 0.000 0.267 107 T C 1.551 176.370 174.700 0.199 0.000 1.039 107 T CA 1.218 63.401 62.100 0.138 0.000 1.142 107 T CB -0.091 68.840 68.868 0.104 0.000 0.866 107 T HN 0.342 nan 8.240 nan 0.000 0.444 108 K N 1.070 121.555 120.400 0.142 0.000 2.031 108 K HA 0.206 4.529 4.320 0.004 0.000 0.205 108 K C 2.190 178.867 176.600 0.129 0.000 1.049 108 K CA 0.721 57.087 56.287 0.131 0.000 0.939 108 K CB -0.671 31.882 32.500 0.088 0.000 0.717 108 K HN 0.251 nan 8.250 nan 0.000 0.438 109 L N -0.393 120.899 121.223 0.116 0.000 2.017 109 L HA -0.156 4.187 4.340 0.004 0.000 0.208 109 L C 2.247 179.174 176.870 0.095 0.000 1.073 109 L CA 1.349 56.244 54.840 0.091 0.000 0.745 109 L CB -0.515 41.593 42.059 0.083 0.000 0.894 109 L HN 0.105 nan 8.230 nan 0.000 0.432 110 F N 1.053 121.001 119.950 -0.004 0.000 2.065 110 F HA -0.324 4.205 4.527 0.004 0.000 0.298 110 F C 2.531 178.274 175.800 -0.096 0.000 1.112 110 F CA 1.705 59.673 58.000 -0.055 0.000 1.212 110 F CB -0.147 38.825 39.000 -0.046 0.000 0.975 110 F HN 0.017 nan 8.300 nan 0.000 0.476 111 A N -0.114 122.752 122.820 0.076 0.000 1.908 111 A HA -0.224 4.099 4.320 0.004 0.000 0.218 111 A C 1.906 179.494 177.584 0.007 0.000 1.181 111 A CA 2.070 54.176 52.037 0.115 0.000 0.627 111 A CB -1.054 18.198 19.000 0.421 0.000 0.818 111 A HN 0.474 nan 8.150 nan 0.000 0.445 112 D N -0.879 119.531 120.400 0.018 0.000 2.117 112 D HA -0.154 4.489 4.640 0.004 0.000 0.197 112 D C 2.082 178.340 176.300 -0.070 0.000 0.987 112 D CA 1.443 55.444 54.000 0.003 0.000 0.829 112 D CB -0.310 40.502 40.800 0.021 0.000 0.961 112 D HN 0.550 nan 8.370 nan 0.000 0.460 113 R N 0.364 120.777 120.500 -0.144 0.000 2.081 113 R HA -0.057 4.285 4.340 0.004 0.000 0.235 113 R C 2.358 178.505 176.300 -0.256 0.000 1.131 113 R CA 0.902 56.895 56.100 -0.178 0.000 0.960 113 R CB -0.240 29.946 30.300 -0.191 0.000 0.856 113 R HN 0.160 nan 8.270 nan 0.000 0.436 114 I N 0.861 121.158 120.570 -0.456 0.000 2.163 114 I HA -0.237 3.936 4.170 0.004 0.000 0.240 114 I C 2.231 178.221 176.117 -0.212 0.000 1.081 114 I CA 1.155 62.154 61.300 -0.501 0.000 1.353 114 I CB -0.391 36.975 38.000 -1.057 0.000 1.054 114 I HN 0.254 nan 8.210 nan 0.000 0.407 115 E N 0.847 120.995 120.200 -0.086 0.000 2.070 115 E HA -0.301 4.052 4.350 0.004 0.000 0.197 115 E C 2.131 178.736 176.600 0.009 0.000 1.004 115 E CA 1.539 57.969 56.400 0.051 0.000 0.805 115 E CB -0.448 29.314 29.700 0.103 0.000 0.744 115 E HN 0.595 nan 8.360 nan 0.000 0.451 116 Q N 0.181 119.969 119.800 -0.019 0.000 2.197 116 Q HA -0.103 4.240 4.340 0.004 0.000 0.207 116 Q C 0.976 176.966 176.000 -0.016 0.000 0.984 116 Q CA 0.983 56.777 55.803 -0.014 0.000 0.869 116 Q CB -0.146 28.579 28.738 -0.021 0.000 0.906 116 Q HN 0.298 nan 8.270 nan 0.000 0.426 117 N N -0.621 118.056 118.700 -0.037 0.000 2.376 117 N HA 0.226 4.969 4.740 0.004 0.000 0.249 117 N C 0.380 175.882 175.510 -0.012 0.000 1.140 117 N CA -0.055 52.979 53.050 -0.026 0.000 0.870 117 N CB 0.684 39.145 38.487 -0.044 0.000 1.124 117 N HN 0.138 nan 8.380 nan 0.000 0.505 118 A N 0.723 123.546 122.820 0.005 0.000 2.066 118 A HA -0.091 4.232 4.320 0.004 0.000 0.218 118 A C 1.987 179.590 177.584 0.032 0.000 1.157 118 A CA 1.026 53.081 52.037 0.029 0.000 0.670 118 A CB 0.110 19.140 19.000 0.050 0.000 0.804 118 A HN 0.167 nan 8.150 nan 0.000 0.453 119 E N 0.300 120.515 120.200 0.025 0.000 2.170 119 E HA 0.003 4.356 4.350 0.004 0.000 0.191 119 E C 0.679 177.296 176.600 0.029 0.000 0.981 119 E CA 0.167 56.583 56.400 0.026 0.000 0.830 119 E CB -0.130 29.583 29.700 0.021 0.000 0.775 119 E HN 0.542 nan 8.360 nan 0.000 0.470 120 R N 0.975 121.492 120.500 0.029 0.000 2.707 120 R HA 0.131 4.474 4.340 0.004 0.000 0.270 120 R C 1.010 177.345 176.300 0.058 0.000 1.083 120 R CA 0.224 56.348 56.100 0.040 0.000 1.182 120 R CB 0.409 30.734 30.300 0.042 0.000 1.084 120 R HN 0.142 nan 8.270 nan 0.000 0.528 121 E N 0.173 120.424 120.200 0.086 0.000 2.526 121 E HA 0.102 4.455 4.350 0.004 0.000 0.208 121 E C -0.684 176.042 176.600 0.209 0.000 0.997 121 E CA 0.079 56.550 56.400 0.119 0.000 0.961 121 E CB 0.595 30.355 29.700 0.100 0.000 1.030 121 E HN 0.249 nan 8.360 nan 0.000 0.483 122 F N 1.963 121.919 119.950 0.010 0.000 2.605 122 F HA 0.405 4.935 4.527 0.004 0.000 0.320 122 F C -1.549 174.224 175.800 -0.046 0.000 1.159 122 F CA -1.122 56.875 58.000 -0.004 0.000 0.999 122 F CB 1.236 40.125 39.000 -0.186 0.000 1.258 122 F HN -0.159 nan 8.300 nan 0.000 0.464 123 I N 1.707 122.206 120.570 -0.118 0.000 2.913 123 I HA 0.514 4.687 4.170 0.004 0.000 0.302 123 I C -1.857 174.184 176.117 -0.126 0.000 1.246 123 I CA -1.125 60.163 61.300 -0.022 0.000 1.010 123 I CB 2.238 40.234 38.000 -0.007 0.000 1.259 123 I HN 0.417 nan 8.210 nan 0.000 0.434 124 Y N 3.304 123.681 120.300 0.129 0.000 2.309 124 Y HA 0.402 4.955 4.550 0.005 0.000 0.327 124 Y C 0.898 176.848 175.900 0.083 0.000 1.172 124 Y CA -0.139 58.041 58.100 0.134 0.000 1.280 124 Y CB 1.256 39.810 38.460 0.157 0.000 1.234 124 Y HN 0.484 nan 8.280 nan 0.000 0.512 125 L N 2.297 123.678 121.223 0.263 0.000 2.276 125 L HA 0.250 4.593 4.340 0.004 0.000 0.194 125 L C -0.256 176.715 176.870 0.167 0.000 1.099 125 L CA 0.207 55.159 54.840 0.187 0.000 0.800 125 L CB -0.066 42.073 42.059 0.133 0.000 0.994 125 L HN 0.473 nan 8.230 nan 0.000 0.475 126 V N -2.556 117.455 119.914 0.163 0.000 3.120 126 V HA 0.535 4.657 4.120 0.004 0.000 0.303 126 V C -1.144 175.020 176.094 0.118 0.000 1.238 126 V CA -0.992 61.373 62.300 0.108 0.000 1.008 126 V CB 2.190 34.052 31.823 0.065 0.000 1.064 126 V HN 0.169 nan 8.190 nan 0.000 0.434 127 R N 1.131 121.660 120.500 0.049 0.000 2.534 127 R HA 0.703 5.046 4.340 0.004 0.000 0.301 127 R C 0.599 176.912 176.300 0.021 0.000 0.961 127 R CA -0.311 55.808 56.100 0.031 0.000 0.871 127 R CB 1.782 32.035 30.300 -0.078 0.000 1.170 127 R HN 1.854 nan 8.270 nan 0.000 0.446 128 G N 2.407 111.231 108.800 0.040 0.000 2.142 128 G HA2 -0.224 3.738 3.960 0.004 0.000 0.225 128 G HA3 -0.224 3.738 3.960 0.004 0.000 0.225 128 G C -0.015 174.919 174.900 0.056 0.000 1.015 128 G CA -0.440 44.681 45.100 0.036 0.000 0.716 128 G HN 0.383 nan 8.290 nan 0.000 0.508 129 L N 1.089 122.344 121.223 0.054 0.000 2.436 129 L HA 0.514 4.857 4.340 0.004 0.000 0.265 129 L C 1.755 178.657 176.870 0.053 0.000 1.168 129 L CA -0.014 54.857 54.840 0.051 0.000 0.815 129 L CB 0.561 42.642 42.059 0.037 0.000 1.109 129 L HN 0.451 nan 8.230 nan 0.000 0.462 130 T N -1.343 113.240 114.554 0.048 0.000 2.766 130 T HA 0.150 4.502 4.350 0.004 0.000 0.295 130 T C -1.837 172.874 174.700 0.019 0.000 1.024 130 T CA -1.346 60.776 62.100 0.037 0.000 1.018 130 T CB 1.046 69.927 68.868 0.023 0.000 1.002 130 T HN 0.361 nan 8.240 nan 0.000 0.532 131 P HA -0.078 nan 4.420 nan 0.000 0.215 131 P C 1.490 178.789 177.300 -0.001 0.000 1.157 131 P CA 1.170 64.272 63.100 0.002 0.000 0.868 131 P CB 0.008 31.707 31.700 -0.002 0.000 0.788 132 E N -0.289 119.909 120.200 -0.004 0.000 2.110 132 E HA -0.264 4.088 4.350 0.004 0.000 0.193 132 E C 2.174 178.770 176.600 -0.007 0.000 0.988 132 E CA 0.953 57.349 56.400 -0.007 0.000 0.804 132 E CB -0.215 29.480 29.700 -0.009 0.000 0.745 132 E HN 0.195 nan 8.360 nan 0.000 0.458 133 Q N -0.590 119.209 119.800 -0.002 0.000 2.084 133 Q HA -0.110 4.233 4.340 0.004 0.000 0.202 133 Q C 2.063 178.060 176.000 -0.004 0.000 0.978 133 Q CA 1.586 57.388 55.803 -0.001 0.000 0.844 133 Q CB -0.209 28.535 28.738 0.010 0.000 0.898 133 Q HN 0.384 nan 8.270 nan 0.000 0.426 134 G N -0.078 108.722 108.800 -0.000 0.000 2.421 134 G HA2 -0.223 3.740 3.960 0.004 0.000 0.217 134 G HA3 -0.223 3.740 3.960 0.004 0.000 0.217 134 G C 0.965 175.855 174.900 -0.018 0.000 1.143 134 G CA 0.572 45.669 45.100 -0.004 0.000 0.784 134 G HN 0.377 nan 8.290 nan 0.000 0.541 135 E N 0.136 120.326 120.200 -0.017 0.000 2.110 135 E HA -0.037 4.316 4.350 0.004 0.000 0.193 135 E C 2.706 179.289 176.600 -0.029 0.000 0.988 135 E CA 0.624 57.010 56.400 -0.023 0.000 0.804 135 E CB -0.205 29.485 29.700 -0.018 0.000 0.745 135 E HN 0.392 nan 8.360 nan 0.000 0.458 136 G N 0.533 109.317 108.800 -0.026 0.000 2.408 136 G HA2 -0.196 3.766 3.960 0.004 0.000 0.217 136 G HA3 -0.196 3.766 3.960 0.004 0.000 0.217 136 G C 1.661 176.539 174.900 -0.038 0.000 1.150 136 G CA 0.572 45.654 45.100 -0.029 0.000 0.776 136 G HN 0.130 nan 8.290 nan 0.000 0.542 137 V N 1.168 121.058 119.914 -0.041 0.000 2.719 137 V HA 0.023 4.145 4.120 0.004 0.000 0.252 137 V C 2.623 178.678 176.094 -0.066 0.000 1.065 137 V CA 0.509 62.777 62.300 -0.053 0.000 1.086 137 V CB -0.127 31.666 31.823 -0.049 0.000 0.700 137 V HN 0.247 nan 8.190 nan 0.000 0.467 138 I N 1.008 121.540 120.570 -0.064 0.000 2.353 138 I HA -0.116 4.056 4.170 0.004 0.000 0.248 138 I C 2.559 178.630 176.117 -0.077 0.000 1.119 138 I CA 1.735 62.986 61.300 -0.083 0.000 1.417 138 I CB -1.133 36.824 38.000 -0.073 0.000 1.078 138 I HN 0.329 nan 8.210 nan 0.000 0.421 139 A N 0.480 123.266 122.820 -0.057 0.000 2.216 139 A HA -0.064 4.258 4.320 0.004 0.000 0.214 139 A C 2.232 179.787 177.584 -0.049 0.000 1.160 139 A CA 0.610 52.617 52.037 -0.049 0.000 0.725 139 A CB -0.612 18.365 19.000 -0.038 0.000 0.784 139 A HN 0.410 nan 8.150 nan 0.000 0.472 140 L N -1.220 119.971 121.223 -0.054 0.000 2.275 140 L HA -0.093 4.250 4.340 0.004 0.000 0.215 140 L C 0.514 177.353 176.870 -0.052 0.000 1.119 140 L CA 0.746 55.557 54.840 -0.048 0.000 0.790 140 L CB -0.367 41.662 42.059 -0.049 0.000 0.919 140 L HN 0.354 nan 8.230 nan 0.000 0.443 141 K N -0.364 119.993 120.400 -0.072 0.000 3.117 141 K HA -0.144 4.179 4.320 0.004 0.000 0.269 141 K C -0.366 176.185 176.600 -0.081 0.000 1.098 141 K CA 0.120 56.356 56.287 -0.084 0.000 0.785 141 K CB -2.383 30.079 32.500 -0.063 0.000 1.242 141 K HN 0.130 nan 8.250 nan 0.000 0.491 142 V N 1.744 121.607 119.914 -0.084 0.000 2.521 142 V HA 0.078 4.201 4.120 0.004 0.000 0.286 142 V C -1.596 174.442 176.094 -0.092 0.000 1.034 142 V CA -1.088 61.182 62.300 -0.049 0.000 1.045 142 V CB 0.589 32.402 31.823 -0.017 0.000 0.974 142 V HN 0.104 nan 8.190 nan 0.000 0.480 143 P HA 0.250 nan 4.420 nan 0.000 0.264 143 P C 0.948 178.225 177.300 -0.037 0.000 1.193 143 P CA 1.237 64.305 63.100 -0.053 0.000 0.763 143 P CB 0.662 32.367 31.700 0.009 0.000 0.810 144 G N 1.390 110.139 108.800 -0.085 0.000 2.195 144 G HA2 -0.203 3.759 3.960 0.004 0.000 0.246 144 G HA3 -0.203 3.759 3.960 0.004 0.000 0.246 144 G C -0.003 174.807 174.900 -0.149 0.000 0.984 144 G CA -0.241 44.863 45.100 0.008 0.000 0.633 144 G HN 0.527 nan 8.290 nan 0.000 0.525 145 V N 1.686 121.379 119.914 -0.368 0.000 2.385 145 V HA 0.648 4.771 4.120 0.004 0.000 0.269 145 V C 0.011 175.655 176.094 -0.749 0.000 1.043 145 V CA -0.352 61.698 62.300 -0.418 0.000 0.906 145 V CB 0.351 32.015 31.823 -0.264 0.000 0.995 145 V HN 0.288 nan 8.190 nan 0.000 0.467 146 Y N 2.231 122.065 120.300 -0.777 0.000 2.630 146 Y HA 0.740 5.293 4.550 0.004 0.000 0.337 146 Y C 0.493 176.025 175.900 -0.613 0.000 1.051 146 Y CA -0.711 56.896 58.100 -0.822 0.000 1.121 146 Y CB 2.386 40.027 38.460 -1.365 0.000 1.299 146 Y HN 0.613 nan 8.280 nan 0.000 0.498 147 S N 1.368 117.055 115.700 -0.022 0.000 2.588 147 S HA 0.898 5.371 4.470 0.004 0.000 0.275 147 S C -1.262 173.532 174.600 0.324 0.000 1.130 147 S CA -0.779 57.517 58.200 0.160 0.000 0.855 147 S CB 1.801 65.037 63.200 0.059 0.000 1.116 147 S HN 0.701 nan 8.310 nan 0.000 0.472 148 I N -1.980 118.770 120.570 0.300 0.000 2.894 148 I HA 0.626 4.799 4.170 0.004 0.000 0.302 148 I C -1.089 175.096 176.117 0.114 0.000 1.188 148 I CA -1.112 60.322 61.300 0.222 0.000 1.014 148 I CB 2.195 40.345 38.000 0.249 0.000 1.242 148 I HN 0.623 nan 8.210 nan 0.000 0.430 149 E N 3.545 123.769 120.200 0.040 0.000 2.089 149 E HA 0.307 4.660 4.350 0.004 0.000 0.284 149 E C -0.900 175.611 176.600 -0.148 0.000 1.023 149 E CA -0.309 56.048 56.400 -0.072 0.000 0.819 149 E CB 1.182 30.810 29.700 -0.120 0.000 1.076 149 E HN 0.493 nan 8.360 nan 0.000 0.396 150 E N 1.914 122.030 120.200 -0.140 0.000 2.243 150 E HA 0.398 4.751 4.350 0.004 0.000 0.260 150 E C -0.828 175.591 176.600 -0.301 0.000 0.985 150 E CA -0.815 55.506 56.400 -0.130 0.000 0.858 150 E CB 1.172 30.887 29.700 0.024 0.000 1.210 150 E HN 0.244 nan 8.360 nan 0.000 0.411 151 F N 0.848 120.822 119.950 0.040 0.000 2.443 151 F HA 0.437 4.967 4.527 0.004 0.000 0.335 151 F C 0.478 176.268 175.800 -0.017 0.000 1.104 151 F CA -0.545 57.464 58.000 0.014 0.000 1.013 151 F CB 1.383 40.368 39.000 -0.025 0.000 1.136 151 F HN 0.110 nan 8.300 nan 0.000 0.470 152 R N 1.749 122.335 120.500 0.144 0.000 2.750 152 R HA 0.662 5.005 4.340 0.004 0.000 0.281 152 R C -1.156 175.080 176.300 -0.107 0.000 0.972 152 R CA -1.148 54.941 56.100 -0.018 0.000 0.912 152 R CB 1.582 31.829 30.300 -0.087 0.000 1.187 152 R HN 0.606 nan 8.270 nan 0.000 0.464 153 R N 2.464 122.803 120.500 -0.267 0.000 2.312 153 R HA 0.390 4.733 4.340 0.004 0.000 0.311 153 R C -1.450 174.397 176.300 -0.754 0.000 1.004 153 R CA 0.122 55.997 56.100 -0.375 0.000 0.902 153 R CB 0.513 30.657 30.300 -0.260 0.000 1.073 153 R HN 0.385 nan 8.270 nan 0.000 0.457 154 F N 2.780 122.418 119.950 -0.520 0.000 2.598 154 F HA 0.467 4.996 4.527 0.004 0.000 0.327 154 F C -0.704 174.634 175.800 -0.769 0.000 1.057 154 F CA -0.558 57.148 58.000 -0.491 0.000 0.957 154 F CB 1.594 40.484 39.000 -0.184 0.000 1.278 154 F HN 0.384 nan 8.300 nan 0.000 0.484 155 Y N 1.193 121.620 120.300 0.212 0.000 2.488 155 Y HA 0.310 4.863 4.550 0.006 0.000 0.330 155 Y C -2.131 173.811 175.900 0.070 0.000 1.013 155 Y CA -1.841 56.321 58.100 0.103 0.000 1.304 155 Y CB 0.957 39.451 38.460 0.056 0.000 1.098 155 Y HN 0.293 nan 8.280 nan 0.000 0.498 156 P HA -0.071 nan 4.420 nan 0.000 0.225 156 P C 1.283 178.606 177.300 0.038 0.000 1.156 156 P CA 1.174 64.314 63.100 0.066 0.000 0.787 156 P CB 0.485 32.203 31.700 0.029 0.000 0.802 157 A N -0.726 122.122 122.820 0.047 0.000 1.970 157 A HA 0.388 4.711 4.320 0.004 0.000 0.216 157 A C 1.603 179.173 177.584 -0.024 0.000 1.170 157 A CA 1.427 53.462 52.037 -0.005 0.000 0.645 157 A CB -1.290 17.710 19.000 -0.000 0.000 0.816 157 A HN 0.301 nan 8.150 nan 0.000 0.447 158 G N 0.274 109.083 108.800 0.015 0.000 2.514 158 G HA2 -0.401 3.562 3.960 0.004 0.000 0.265 158 G HA3 -0.401 3.562 3.960 0.004 0.000 0.265 158 G C 0.762 175.583 174.900 -0.131 0.000 1.150 158 G CA 0.813 45.900 45.100 -0.022 0.000 0.959 158 G HN 0.982 nan 8.290 nan 0.000 0.556 159 E N 0.426 120.537 120.200 -0.149 0.000 2.418 159 E HA 0.122 4.475 4.350 0.004 0.000 0.197 159 E C 2.276 178.751 176.600 -0.209 0.000 1.026 159 E CA 1.438 57.712 56.400 -0.210 0.000 0.862 159 E CB -0.087 29.557 29.700 -0.093 0.000 0.799 159 E HN 0.465 nan 8.360 nan 0.000 0.518 160 V N 1.560 121.317 119.914 -0.261 0.000 2.759 160 V HA -0.130 3.993 4.120 0.004 0.000 0.256 160 V C 1.895 177.923 176.094 -0.111 0.000 1.080 160 V CA 1.510 63.594 62.300 -0.359 0.000 1.101 160 V CB 0.318 31.974 31.823 -0.279 0.000 0.698 160 V HN 0.523 nan 8.190 nan 0.000 0.477 161 V N -3.571 116.285 119.914 -0.098 0.000 3.017 161 V HA 0.654 4.777 4.120 0.004 0.000 0.354 161 V C 1.494 177.525 176.094 -0.105 0.000 1.389 161 V CA 0.277 62.551 62.300 -0.044 0.000 1.163 161 V CB -0.005 31.814 31.823 -0.007 0.000 1.178 161 V HN 0.144 nan 8.190 nan 0.000 0.547 162 A N 0.772 123.434 122.820 -0.262 0.000 1.877 162 A HA -0.160 4.163 4.320 0.004 0.000 0.216 162 A C 1.873 179.274 177.584 -0.306 0.000 1.186 162 A CA 2.514 54.243 52.037 -0.512 0.000 0.620 162 A CB -0.886 17.445 19.000 -1.116 0.000 0.822 162 A HN 0.792 nan 8.150 nan 0.000 0.443 163 H N -0.809 118.271 119.070 0.016 0.000 2.428 163 H HA 0.239 4.797 4.556 0.004 0.000 0.296 163 H C 2.370 177.793 175.328 0.159 0.000 1.062 163 H CA 1.001 57.140 56.048 0.152 0.000 1.350 163 H CB -0.021 29.837 29.762 0.160 0.000 1.403 163 H HN 0.538 nan 8.280 nan 0.000 0.533 164 A N 0.473 123.425 122.820 0.220 0.000 1.854 164 A HA -0.088 4.235 4.320 0.004 0.000 0.214 164 A C 2.442 180.155 177.584 0.215 0.000 1.192 164 A CA 1.476 53.647 52.037 0.223 0.000 0.611 164 A CB -0.686 18.393 19.000 0.133 0.000 0.832 164 A HN 0.220 nan 8.150 nan 0.000 0.442 165 V N -0.745 119.227 119.914 0.097 0.000 2.379 165 V HA 0.225 4.348 4.120 0.004 0.000 0.245 165 V C 1.825 177.924 176.094 0.009 0.000 1.044 165 V CA 1.094 63.428 62.300 0.057 0.000 1.036 165 V CB -1.795 30.041 31.823 0.022 0.000 0.664 165 V HN 1.189 nan 8.190 nan 0.000 0.453 166 G N 0.705 109.489 108.800 -0.027 0.000 2.598 166 G HA2 -0.187 3.776 3.960 0.004 0.000 0.244 166 G HA3 -0.187 3.776 3.960 0.004 0.000 0.244 166 G C -0.461 174.372 174.900 -0.112 0.000 1.302 166 G CA 0.174 45.220 45.100 -0.090 0.000 0.903 166 G HN 1.189 nan 8.290 nan 0.000 0.575 167 F N -2.922 116.971 119.950 -0.095 0.000 2.817 167 F HA 0.812 5.340 4.527 0.002 0.000 0.317 167 F C 0.058 175.903 175.800 0.074 0.000 1.168 167 F CA -0.406 57.574 58.000 -0.033 0.000 0.911 167 F CB 0.896 39.834 39.000 -0.103 0.000 1.337 167 F HN 1.165 nan 8.300 nan 0.000 0.464 168 T N -1.538 113.270 114.554 0.423 0.000 2.945 168 T HA 0.457 4.810 4.350 0.004 0.000 0.286 168 T C -0.674 174.170 174.700 0.239 0.000 1.025 168 T CA -0.733 61.503 62.100 0.226 0.000 1.039 168 T CB 1.806 70.770 68.868 0.160 0.000 1.068 168 T HN 0.599 nan 8.240 nan 0.000 0.497 169 D N 0.228 120.704 120.400 0.126 0.000 2.372 169 D HA 0.033 4.676 4.640 0.004 0.000 0.243 169 D C 1.638 177.971 176.300 0.055 0.000 1.297 169 D CA -0.512 53.543 54.000 0.091 0.000 0.958 169 D CB 1.014 41.841 40.800 0.045 0.000 1.114 169 D HN 0.340 nan 8.370 nan 0.000 0.496 170 V N 0.843 120.768 119.914 0.019 0.000 2.469 170 V HA -0.204 3.919 4.120 0.004 0.000 0.251 170 V C 1.113 177.196 176.094 -0.018 0.000 1.064 170 V CA 1.908 64.195 62.300 -0.022 0.000 1.066 170 V CB -0.216 31.567 31.823 -0.066 0.000 0.667 170 V HN 0.417 nan 8.190 nan 0.000 0.461 171 D N -0.684 119.715 120.400 -0.003 0.000 2.363 171 D HA -0.024 4.619 4.640 0.004 0.000 0.226 171 D C 0.837 177.155 176.300 0.031 0.000 1.020 171 D CA 1.021 55.028 54.000 0.012 0.000 0.892 171 D CB -0.045 40.762 40.800 0.012 0.000 0.900 171 D HN 0.632 nan 8.370 nan 0.000 0.531 172 D N 0.370 120.790 120.400 0.034 0.000 2.988 172 D HA -0.144 4.499 4.640 0.004 0.000 0.221 172 D C -0.542 175.778 176.300 0.033 0.000 1.122 172 D CA 0.445 54.468 54.000 0.039 0.000 0.821 172 D CB -0.804 40.027 40.800 0.052 0.000 1.098 172 D HN 0.240 nan 8.370 nan 0.000 0.433 173 R N -0.384 120.135 120.500 0.032 0.000 2.589 173 R HA 0.684 5.027 4.340 0.004 0.000 0.293 173 R C 0.820 177.133 176.300 0.022 0.000 0.963 173 R CA -0.386 55.727 56.100 0.022 0.000 0.905 173 R CB 1.525 31.831 30.300 0.009 0.000 1.144 173 R HN 0.084 nan 8.270 nan 0.000 0.459 174 G N 0.931 109.736 108.800 0.008 0.000 2.398 174 G HA2 0.093 4.056 3.960 0.004 0.000 0.246 174 G HA3 0.093 4.056 3.960 0.004 0.000 0.246 174 G C 0.522 175.375 174.900 -0.078 0.000 1.289 174 G CA -0.450 44.636 45.100 -0.024 0.000 0.869 174 G HN 0.765 nan 8.290 nan 0.000 0.543 175 R N 0.236 120.644 120.500 -0.153 0.000 2.521 175 R HA 0.358 4.700 4.340 0.004 0.000 0.289 175 R C -0.200 175.894 176.300 -0.343 0.000 0.936 175 R CA -0.257 55.721 56.100 -0.202 0.000 1.089 175 R CB 0.794 31.013 30.300 -0.135 0.000 1.348 175 R HN 0.376 nan 8.270 nan 0.000 0.536 176 E N 0.645 120.558 120.200 -0.478 0.000 2.408 176 E HA 0.401 4.754 4.350 0.004 0.000 0.275 176 E C 0.035 176.448 176.600 -0.311 0.000 0.935 176 E CA -0.019 56.111 56.400 -0.449 0.000 0.775 176 E CB 2.055 31.317 29.700 -0.730 0.000 1.277 176 E HN 0.211 nan 8.360 nan 0.000 0.455 177 G N 2.295 110.959 108.800 -0.226 0.000 2.578 177 G HA2 -0.313 3.650 3.960 0.004 0.000 0.284 177 G HA3 -0.313 3.650 3.960 0.004 0.000 0.284 177 G C 1.082 175.721 174.900 -0.436 0.000 1.283 177 G CA 0.115 45.095 45.100 -0.200 0.000 0.944 177 G HN 0.484 nan 8.290 nan 0.000 0.558 178 I N 1.400 121.875 120.570 -0.159 0.000 2.248 178 I HA -0.141 4.032 4.170 0.004 0.000 0.248 178 I C 2.756 178.886 176.117 0.022 0.000 1.107 178 I CA 2.346 63.638 61.300 -0.014 0.000 1.373 178 I CB -1.211 36.850 38.000 0.102 0.000 1.055 178 I HN 0.587 nan 8.210 nan 0.000 0.418 179 E N 0.255 120.452 120.200 -0.004 0.000 2.114 179 E HA -0.262 4.091 4.350 0.004 0.000 0.199 179 E C 2.137 178.731 176.600 -0.011 0.000 1.008 179 E CA 1.313 57.731 56.400 0.029 0.000 0.810 179 E CB -0.322 29.401 29.700 0.037 0.000 0.739 179 E HN 0.364 nan 8.360 nan 0.000 0.456 180 L N 0.433 121.587 121.223 -0.115 0.000 2.084 180 L HA 0.106 4.449 4.340 0.004 0.000 0.202 180 L C 2.171 178.949 176.870 -0.153 0.000 1.074 180 L CA 2.027 56.784 54.840 -0.138 0.000 0.757 180 L CB -0.876 41.062 42.059 -0.202 0.000 0.918 180 L HN -0.017 nan 8.230 nan 0.000 0.444 181 A N -1.511 121.151 122.820 -0.262 0.000 2.125 181 A HA -0.098 4.225 4.320 0.004 0.000 0.219 181 A C 1.380 178.715 177.584 -0.415 0.000 1.156 181 A CA 1.381 53.206 52.037 -0.353 0.000 0.671 181 A CB -0.845 17.839 19.000 -0.526 0.000 0.794 181 A HN 0.497 nan 8.150 nan 0.000 0.459 182 F N -1.306 118.582 119.950 -0.103 0.000 2.791 182 F HA 0.179 4.708 4.527 0.004 0.000 0.308 182 F C 1.230 177.073 175.800 0.071 0.000 1.138 182 F CA -0.426 57.570 58.000 -0.008 0.000 1.294 182 F CB 0.389 39.362 39.000 -0.045 0.000 0.975 182 F HN 0.149 nan 8.300 nan 0.000 0.512 183 D N 0.980 121.451 120.400 0.118 0.000 2.149 183 D HA -0.214 4.429 4.640 0.004 0.000 0.198 183 D C 2.079 178.446 176.300 0.113 0.000 0.990 183 D CA 1.596 55.652 54.000 0.094 0.000 0.839 183 D CB 0.335 41.147 40.800 0.020 0.000 0.948 183 D HN 0.222 nan 8.370 nan 0.000 0.460 184 E N -0.638 119.627 120.200 0.109 0.000 2.106 184 E HA -0.110 4.243 4.350 0.004 0.000 0.192 184 E C 1.705 178.404 176.600 0.165 0.000 0.984 184 E CA 0.735 57.195 56.400 0.101 0.000 0.806 184 E CB -0.355 29.389 29.700 0.073 0.000 0.750 184 E HN 0.483 nan 8.360 nan 0.000 0.458 185 W N 0.228 121.574 121.300 0.076 0.000 2.418 185 W HA -0.101 4.562 4.660 0.005 0.000 0.292 185 W C 1.105 177.662 176.519 0.064 0.000 1.213 185 W CA 1.008 58.415 57.345 0.102 0.000 1.283 185 W CB -0.087 29.508 29.460 0.224 0.000 1.119 185 W HN 0.104 nan 8.180 nan 0.000 0.542 186 L N 0.428 121.828 121.223 0.294 0.000 2.307 186 L HA 0.051 4.393 4.340 0.004 0.000 0.211 186 L C 2.737 179.624 176.870 0.027 0.000 1.099 186 L CA 0.831 55.771 54.840 0.167 0.000 0.816 186 L CB -1.030 41.145 42.059 0.193 0.000 0.952 186 L HN -0.170 nan 8.230 nan 0.000 0.455 187 A N 0.208 123.042 122.820 0.023 0.000 1.897 187 A HA 0.292 4.615 4.320 0.004 0.000 0.215 187 A C 1.439 178.994 177.584 -0.048 0.000 1.181 187 A CA 1.097 53.126 52.037 -0.014 0.000 0.620 187 A CB -0.710 18.291 19.000 0.003 0.000 0.821 187 A HN 0.437 nan 8.150 nan 0.000 0.443 188 G N -1.927 106.837 108.800 -0.061 0.000 2.782 188 G HA2 0.083 4.045 3.960 0.004 0.000 0.228 188 G HA3 0.083 4.045 3.960 0.004 0.000 0.228 188 G C -0.049 174.823 174.900 -0.048 0.000 1.372 188 G CA 0.159 45.215 45.100 -0.073 0.000 0.862 188 G HN 1.819 nan 8.290 nan 0.000 0.547 189 V N -1.707 118.181 119.914 -0.043 0.000 2.334 189 V HA 0.720 4.843 4.120 0.004 0.000 0.281 189 V C -1.826 174.260 176.094 -0.013 0.000 1.016 189 V CA -1.855 60.429 62.300 -0.027 0.000 0.832 189 V CB 1.386 33.191 31.823 -0.031 0.000 0.999 189 V HN 0.713 nan 8.190 nan 0.000 0.439 190 P HA 0.354 nan 4.420 nan 0.000 0.271 190 P C 0.589 177.897 177.300 0.013 0.000 1.244 190 P CA 0.460 63.570 63.100 0.015 0.000 0.793 190 P CB 0.612 32.323 31.700 0.018 0.000 0.984 191 G N 0.565 109.381 108.800 0.027 0.000 2.557 191 G HA2 0.559 4.522 3.960 0.004 0.000 0.302 191 G HA3 0.559 4.522 3.960 0.004 0.000 0.302 191 G C -0.920 173.993 174.900 0.022 0.000 1.311 191 G CA -0.412 44.702 45.100 0.024 0.000 1.030 191 G HN 0.292 nan 8.290 nan 0.000 0.509 192 K N 0.015 120.431 120.400 0.027 0.000 2.525 192 K HA 0.404 4.727 4.320 0.004 0.000 0.254 192 K C -0.952 175.682 176.600 0.056 0.000 0.934 192 K CA -0.603 55.708 56.287 0.039 0.000 0.802 192 K CB 3.005 35.523 32.500 0.029 0.000 1.295 192 K HN 0.546 nan 8.250 nan 0.000 0.433 193 R N 1.290 121.829 120.500 0.064 0.000 2.599 193 R HA 0.300 4.643 4.340 0.004 0.000 0.295 193 R C -0.446 175.874 176.300 0.033 0.000 0.963 193 R CA -0.690 55.437 56.100 0.044 0.000 0.883 193 R CB 2.284 32.597 30.300 0.022 0.000 1.171 193 R HN 0.377 nan 8.270 nan 0.000 0.450 194 Q N 2.300 122.098 119.800 -0.003 0.000 2.390 194 Q HA 0.261 4.603 4.340 0.004 0.000 0.249 194 Q C -0.932 175.004 176.000 -0.107 0.000 0.996 194 Q CA -0.347 55.381 55.803 -0.126 0.000 0.899 194 Q CB 1.662 30.342 28.738 -0.096 0.000 1.216 194 Q HN 0.319 nan 8.270 nan 0.000 0.465 195 V N 5.190 125.022 119.914 -0.136 0.000 2.347 195 V HA 0.272 4.395 4.120 0.004 0.000 0.280 195 V C -0.243 175.793 176.094 -0.096 0.000 1.021 195 V CA -0.636 61.613 62.300 -0.085 0.000 0.847 195 V CB 1.195 32.979 31.823 -0.064 0.000 0.990 195 V HN 0.607 nan 8.190 nan 0.000 0.444 196 L N 6.096 127.280 121.223 -0.065 0.000 2.289 196 L HA 0.601 4.943 4.340 0.004 0.000 0.285 196 L C -0.120 176.732 176.870 -0.031 0.000 1.049 196 L CA 0.312 55.120 54.840 -0.054 0.000 0.804 196 L CB 1.170 43.204 42.059 -0.042 0.000 1.195 196 L HN 0.592 nan 8.230 nan 0.000 0.428 197 K N 2.282 122.667 120.400 -0.026 0.000 2.498 197 K HA 0.349 4.672 4.320 0.004 0.000 0.254 197 K C -1.569 175.028 176.600 -0.005 0.000 0.933 197 K CA -0.826 55.455 56.287 -0.011 0.000 0.806 197 K CB 1.545 34.040 32.500 -0.007 0.000 1.301 197 K HN 0.620 nan 8.250 nan 0.000 0.432 198 D N 1.606 122.008 120.400 0.002 0.000 2.345 198 D HA 0.041 4.684 4.640 0.004 0.000 0.247 198 D C -0.433 175.874 176.300 0.011 0.000 1.108 198 D CA -0.373 53.630 54.000 0.006 0.000 0.894 198 D CB 0.780 41.586 40.800 0.009 0.000 1.203 198 D HN 0.281 nan 8.370 nan 0.000 0.430 199 R N 1.646 122.153 120.500 0.011 0.000 3.206 199 R HA 0.171 4.514 4.340 0.004 0.000 0.209 199 R C 0.898 177.211 176.300 0.022 0.000 1.632 199 R CA 0.189 56.299 56.100 0.017 0.000 1.234 199 R CB -0.046 30.262 30.300 0.015 0.000 1.270 199 R HN 0.584 nan 8.270 nan 0.000 0.665 200 R N -0.393 120.123 120.500 0.027 0.000 2.760 200 R HA 0.076 4.419 4.340 0.004 0.000 0.065 200 R C -0.207 176.117 176.300 0.040 0.000 0.816 200 R CA 0.604 56.723 56.100 0.032 0.000 2.689 200 R CB 0.651 30.967 30.300 0.026 0.000 1.401 200 R HN 0.508 nan 8.270 nan 0.000 0.503 201 G N 1.286 110.108 108.800 0.037 0.000 2.491 201 G HA2 0.050 4.013 3.960 0.004 0.000 0.232 201 G HA3 0.050 4.013 3.960 0.004 0.000 0.232 201 G C -1.211 173.716 174.900 0.046 0.000 1.609 201 G CA -0.259 44.867 45.100 0.045 0.000 0.880 201 G HN 0.157 nan 8.290 nan 0.000 0.515 202 R N 0.010 120.528 120.500 0.030 0.000 2.522 202 R HA 0.575 4.918 4.340 0.004 0.000 0.283 202 R C -0.594 175.718 176.300 0.021 0.000 1.074 202 R CA -0.589 55.530 56.100 0.031 0.000 0.925 202 R CB 2.213 32.529 30.300 0.027 0.000 1.205 202 R HN 0.511 nan 8.270 nan 0.000 0.436 203 V N 6.825 126.754 119.914 0.025 0.000 2.455 203 V HA 0.237 4.360 4.120 0.004 0.000 0.273 203 V C 0.593 176.696 176.094 0.014 0.000 1.045 203 V CA 0.309 62.619 62.300 0.017 0.000 0.976 203 V CB 0.642 32.481 31.823 0.026 0.000 0.993 203 V HN 0.863 nan 8.190 nan 0.000 0.475 204 I N 4.985 125.557 120.570 0.005 0.000 2.810 204 I HA 0.251 4.424 4.170 0.004 0.000 0.262 204 I C 1.032 177.149 176.117 0.001 0.000 1.131 204 I CA 0.410 61.712 61.300 0.003 0.000 1.453 204 I CB 0.162 38.161 38.000 -0.001 0.000 1.161 204 I HN 0.509 nan 8.210 nan 0.000 0.444 205 K N 1.462 121.859 120.400 -0.006 0.000 2.507 205 K HA 0.262 4.585 4.320 0.004 0.000 0.251 205 K C -1.910 174.684 176.600 -0.010 0.000 0.943 205 K CA -0.389 55.894 56.287 -0.007 0.000 0.794 205 K CB 2.169 34.662 32.500 -0.012 0.000 1.188 205 K HN -0.159 nan 8.250 nan 0.000 0.428 206 D N 3.398 123.798 120.400 -0.000 0.000 2.620 206 D HA 0.381 5.024 4.640 0.004 0.000 0.252 206 D C -1.423 174.882 176.300 0.007 0.000 1.207 206 D CA -0.405 53.595 54.000 0.001 0.000 0.884 206 D CB 1.535 42.343 40.800 0.013 0.000 1.262 206 D HN 0.318 nan 8.370 nan 0.000 0.552 207 V N 1.187 121.104 119.914 0.005 0.000 2.971 207 V HA 0.567 4.690 4.120 0.004 0.000 0.309 207 V C -0.605 175.501 176.094 0.019 0.000 1.130 207 V CA -1.077 61.230 62.300 0.013 0.000 0.964 207 V CB 1.718 33.547 31.823 0.010 0.000 1.029 207 V HN 0.530 nan 8.190 nan 0.000 0.427 208 Q N 1.728 121.542 119.800 0.023 0.000 2.323 208 Q HA 0.459 4.801 4.340 0.004 0.000 0.257 208 Q C -0.509 175.509 176.000 0.029 0.000 1.022 208 Q CA -0.377 55.443 55.803 0.028 0.000 0.919 208 Q CB 1.593 30.347 28.738 0.027 0.000 1.220 208 Q HN 0.843 nan 8.270 nan 0.000 0.427 209 V N 4.291 124.228 119.914 0.039 0.000 3.095 209 V HA 0.222 4.345 4.120 0.004 0.000 0.388 209 V C 0.148 176.257 176.094 0.025 0.000 1.286 209 V CA 0.115 62.438 62.300 0.039 0.000 1.406 209 V CB 0.060 31.924 31.823 0.068 0.000 1.363 209 V HN 0.815 nan 8.190 nan 0.000 0.532 210 T N 0.284 114.849 114.554 0.019 0.000 2.717 210 T HA 0.294 4.647 4.350 0.004 0.000 0.315 210 T C -0.900 173.806 174.700 0.009 0.000 1.746 210 T CA -0.905 61.200 62.100 0.010 0.000 1.001 210 T CB 1.357 70.230 68.868 0.007 0.000 1.673 210 T HN 0.536 nan 8.240 nan 0.000 0.498 211 K N 1.737 122.139 120.400 0.003 0.000 2.286 211 K HA 0.297 4.619 4.320 0.004 0.000 0.256 211 K C 0.079 176.684 176.600 0.007 0.000 0.999 211 K CA -0.299 55.990 56.287 0.003 0.000 0.908 211 K CB -0.141 32.357 32.500 -0.004 0.000 0.981 211 K HN 0.514 nan 8.250 nan 0.000 0.500 212 N N 0.084 118.789 118.700 0.009 0.000 2.454 212 N HA 0.056 4.799 4.740 0.004 0.000 0.254 212 N C -0.617 174.901 175.510 0.013 0.000 1.228 212 N CA 0.083 53.142 53.050 0.015 0.000 0.900 212 N CB 0.542 39.037 38.487 0.014 0.000 1.089 212 N HN 0.705 nan 8.380 nan 0.000 0.449 213 A N 2.172 125.007 122.820 0.025 0.000 2.553 213 A HA -0.059 4.264 4.320 0.004 0.000 0.258 213 A C 0.455 178.045 177.584 0.009 0.000 1.069 213 A CA 0.340 52.392 52.037 0.025 0.000 0.767 213 A CB -0.133 18.900 19.000 0.054 0.000 0.997 213 A HN 0.655 nan 8.150 nan 0.000 0.512 214 K N 4.091 124.484 120.400 -0.011 0.000 2.276 214 K HA 0.398 4.721 4.320 0.004 0.000 0.283 214 K C -2.571 174.005 176.600 -0.040 0.000 1.044 214 K CA -1.738 54.531 56.287 -0.031 0.000 0.944 214 K CB 0.601 33.074 32.500 -0.045 0.000 1.012 214 K HN 0.381 nan 8.250 nan 0.000 0.472 215 P HA 0.081 nan 4.420 nan 0.000 0.272 215 P C -0.329 176.928 177.300 -0.071 0.000 1.230 215 P CA -0.424 62.651 63.100 -0.042 0.000 0.788 215 P CB 0.800 32.475 31.700 -0.042 0.000 0.949 216 G N 1.253 110.012 108.800 -0.068 0.000 2.634 216 G HA2 0.209 4.171 3.960 0.004 0.000 0.255 216 G HA3 0.209 4.171 3.960 0.004 0.000 0.255 216 G C -0.644 174.172 174.900 -0.140 0.000 1.205 216 G CA -0.569 44.464 45.100 -0.112 0.000 0.884 216 G HN 0.362 nan 8.290 nan 0.000 0.549 217 K N 0.396 120.623 120.400 -0.288 0.000 2.172 217 K HA 0.328 4.650 4.320 0.004 0.000 0.276 217 K C 0.202 176.795 176.600 -0.012 0.000 1.013 217 K CA -0.284 55.790 56.287 -0.355 0.000 0.913 217 K CB 1.191 33.047 32.500 -1.073 0.000 1.055 217 K HN 0.405 nan 8.250 nan 0.000 0.461 218 T N 2.460 117.070 114.554 0.093 0.000 2.946 218 T HA 0.072 4.424 4.350 0.004 0.000 0.311 218 T C -0.369 174.555 174.700 0.373 0.000 1.063 218 T CA -0.067 62.144 62.100 0.185 0.000 1.139 218 T CB 0.197 69.135 68.868 0.117 0.000 0.994 218 T HN 0.233 nan 8.240 nan 0.000 0.547 219 L N 2.965 124.324 121.223 0.226 0.000 2.406 219 L HA 0.647 4.989 4.340 0.004 0.000 0.270 219 L C -0.378 176.463 176.870 -0.047 0.000 0.982 219 L CA -0.496 54.379 54.840 0.058 0.000 0.843 219 L CB 0.997 42.989 42.059 -0.113 0.000 1.225 219 L HN 0.770 nan 8.230 nan 0.000 0.412 220 A N 5.926 128.707 122.820 -0.065 0.000 2.289 220 A HA 0.649 4.972 4.320 0.004 0.000 0.298 220 A C -0.297 177.214 177.584 -0.121 0.000 1.208 220 A CA -0.480 51.520 52.037 -0.062 0.000 0.845 220 A CB 0.160 19.144 19.000 -0.027 0.000 1.125 220 A HN 0.749 nan 8.150 nan 0.000 0.517 221 L N 2.107 123.274 121.223 -0.094 0.000 2.475 221 L HA 0.179 4.521 4.340 0.004 0.000 0.253 221 L C 1.948 178.780 176.870 -0.062 0.000 1.198 221 L CA 0.076 54.857 54.840 -0.098 0.000 0.814 221 L CB 1.022 43.050 42.059 -0.051 0.000 1.134 221 L HN 0.986 nan 8.230 nan 0.000 0.478 222 S N 0.335 116.004 115.700 -0.052 0.000 2.383 222 S HA -0.028 4.444 4.470 0.004 0.000 0.227 222 S C 0.958 175.550 174.600 -0.013 0.000 1.026 222 S CA 0.146 58.328 58.200 -0.030 0.000 0.981 222 S CB -0.256 62.929 63.200 -0.025 0.000 0.818 222 S HN 0.341 nan 8.310 nan 0.000 0.472 223 I N 3.842 124.409 120.570 -0.006 0.000 2.906 223 I HA 0.020 4.192 4.170 0.004 0.000 0.301 223 I C 0.368 176.490 176.117 0.009 0.000 1.221 223 I CA 0.347 61.651 61.300 0.007 0.000 1.435 223 I CB -0.528 37.483 38.000 0.018 0.000 1.345 223 I HN 0.353 nan 8.210 nan 0.000 0.558 224 D N 6.220 126.628 120.400 0.014 0.000 2.317 224 D HA 0.072 4.714 4.640 0.004 0.000 0.234 224 D C 0.830 177.148 176.300 0.029 0.000 1.112 224 D CA -0.529 53.482 54.000 0.017 0.000 0.840 224 D CB 1.311 42.120 40.800 0.015 0.000 1.078 224 D HN 0.413 nan 8.370 nan 0.000 0.486 225 L N 5.541 126.781 121.223 0.028 0.000 2.131 225 L HA -0.104 4.239 4.340 0.004 0.000 0.210 225 L C 2.214 179.126 176.870 0.070 0.000 1.092 225 L CA 1.561 56.424 54.840 0.039 0.000 0.759 225 L CB -0.108 41.961 42.059 0.016 0.000 0.903 225 L HN 0.375 nan 8.230 nan 0.000 0.435 226 R N -1.177 119.357 120.500 0.057 0.000 2.073 226 R HA -0.153 4.189 4.340 0.004 0.000 0.234 226 R C 2.145 178.507 176.300 0.104 0.000 1.134 226 R CA 1.597 57.748 56.100 0.084 0.000 0.952 226 R CB -0.663 29.668 30.300 0.050 0.000 0.850 226 R HN 0.258 nan 8.270 nan 0.000 0.433 227 L N 0.833 122.093 121.223 0.061 0.000 2.017 227 L HA -0.198 4.145 4.340 0.004 0.000 0.208 227 L C 2.647 179.551 176.870 0.056 0.000 1.073 227 L CA 1.672 56.537 54.840 0.042 0.000 0.745 227 L CB -0.639 41.431 42.059 0.018 0.000 0.894 227 L HN 0.127 nan 8.230 nan 0.000 0.432 228 Q N -1.107 118.736 119.800 0.073 0.000 2.061 228 Q HA -0.298 4.045 4.340 0.004 0.000 0.204 228 Q C 2.306 178.384 176.000 0.131 0.000 0.984 228 Q CA 1.985 57.840 55.803 0.087 0.000 0.846 228 Q CB -0.605 28.180 28.738 0.078 0.000 0.902 228 Q HN 0.568 nan 8.270 nan 0.000 0.421 229 Y N -0.506 119.808 120.300 0.024 0.000 2.224 229 Y HA -0.224 4.331 4.550 0.009 0.000 0.289 229 Y C 1.796 177.742 175.900 0.078 0.000 1.146 229 Y CA 1.208 59.329 58.100 0.035 0.000 1.182 229 Y CB -0.075 38.385 38.460 -0.001 0.000 0.983 229 Y HN 0.332 nan 8.280 nan 0.000 0.524 230 L N 0.630 121.854 121.223 0.001 0.000 1.976 230 L HA -0.121 4.222 4.340 0.004 0.000 0.209 230 L C 2.576 179.390 176.870 -0.094 0.000 1.071 230 L CA 2.181 56.973 54.840 -0.080 0.000 0.746 230 L CB -1.539 40.511 42.059 -0.016 0.000 0.890 230 L HN 0.250 nan 8.230 nan 0.000 0.432 231 A N -0.929 121.870 122.820 -0.035 0.000 1.881 231 A HA -0.386 3.936 4.320 0.004 0.000 0.219 231 A C 2.431 179.994 177.584 -0.034 0.000 1.215 231 A CA 2.277 54.299 52.037 -0.026 0.000 0.648 231 A CB -1.517 17.491 19.000 0.012 0.000 0.832 231 A HN 0.799 nan 8.150 nan 0.000 0.455 232 H N 0.945 119.954 119.070 -0.101 0.000 2.289 232 H HA -0.240 4.323 4.556 0.012 0.000 0.294 232 H C 2.356 177.592 175.328 -0.154 0.000 1.095 232 H CA 2.598 58.586 56.048 -0.100 0.000 1.256 232 H CB -0.187 29.529 29.762 -0.077 0.000 1.359 232 H HN 0.660 nan 8.280 nan 0.000 0.487 233 R N 0.256 120.609 120.500 -0.245 0.000 2.073 233 R HA -0.049 4.294 4.340 0.004 0.000 0.229 233 R C 2.093 178.263 176.300 -0.217 0.000 1.120 233 R CA 1.395 57.323 56.100 -0.286 0.000 0.967 233 R CB -0.208 29.886 30.300 -0.344 0.000 0.862 233 R HN 0.227 nan 8.270 nan 0.000 0.436 234 E N 1.291 121.389 120.200 -0.171 0.000 2.106 234 E HA -0.129 4.223 4.350 0.004 0.000 0.192 234 E C 2.076 178.609 176.600 -0.113 0.000 0.984 234 E CA 0.813 57.140 56.400 -0.121 0.000 0.806 234 E CB -0.251 29.390 29.700 -0.099 0.000 0.750 234 E HN 0.388 nan 8.360 nan 0.000 0.458 235 L N 0.860 122.009 121.223 -0.123 0.000 1.989 235 L HA -0.225 4.117 4.340 0.004 0.000 0.211 235 L C 2.808 179.603 176.870 -0.125 0.000 1.071 235 L CA 1.536 56.312 54.840 -0.106 0.000 0.749 235 L CB -0.242 41.758 42.059 -0.098 0.000 0.890 235 L HN 0.104 nan 8.230 nan 0.000 0.431 236 R N -0.082 120.300 120.500 -0.196 0.000 2.096 236 R HA -0.233 4.110 4.340 0.004 0.000 0.240 236 R C 1.959 178.192 176.300 -0.113 0.000 1.139 236 R CA 2.190 58.181 56.100 -0.182 0.000 0.952 236 R CB -0.207 29.921 30.300 -0.286 0.000 0.854 236 R HN 0.457 nan 8.270 nan 0.000 0.436 237 N N 0.459 119.094 118.700 -0.109 0.000 2.069 237 N HA -0.175 4.567 4.740 0.004 0.000 0.191 237 N C 1.578 177.054 175.510 -0.057 0.000 1.031 237 N CA 1.767 54.773 53.050 -0.072 0.000 0.852 237 N CB -0.514 37.931 38.487 -0.070 0.000 1.018 237 N HN 0.349 nan 8.380 nan 0.000 0.423 238 A N 0.306 123.089 122.820 -0.062 0.000 1.933 238 A HA -0.058 4.265 4.320 0.004 0.000 0.218 238 A C 2.162 179.723 177.584 -0.039 0.000 1.175 238 A CA 0.936 52.945 52.037 -0.048 0.000 0.628 238 A CB -0.586 18.385 19.000 -0.049 0.000 0.814 238 A HN 0.150 nan 8.150 nan 0.000 0.444 239 L N -0.939 120.257 121.223 -0.044 0.000 2.017 239 L HA -0.149 4.194 4.340 0.004 0.000 0.208 239 L C 2.329 179.184 176.870 -0.025 0.000 1.073 239 L CA 1.291 56.111 54.840 -0.034 0.000 0.745 239 L CB -0.732 41.304 42.059 -0.038 0.000 0.894 239 L HN 0.266 nan 8.230 nan 0.000 0.432 240 L N -0.816 120.390 121.223 -0.028 0.000 2.046 240 L HA -0.200 4.143 4.340 0.004 0.000 0.208 240 L C 2.508 179.369 176.870 -0.015 0.000 1.077 240 L CA 1.501 56.330 54.840 -0.019 0.000 0.747 240 L CB -0.955 41.092 42.059 -0.020 0.000 0.896 240 L HN 0.339 nan 8.230 nan 0.000 0.432 241 E N -0.299 119.890 120.200 -0.019 0.000 2.077 241 E HA -0.201 4.152 4.350 0.004 0.000 0.193 241 E C 1.226 177.820 176.600 -0.010 0.000 0.989 241 E CA 1.494 57.885 56.400 -0.016 0.000 0.800 241 E CB 0.023 29.710 29.700 -0.022 0.000 0.746 241 E HN 0.631 nan 8.360 nan 0.000 0.452 242 N N -1.353 117.342 118.700 -0.009 0.000 2.205 242 N HA 0.136 4.879 4.740 0.004 0.000 0.201 242 N C 0.270 175.782 175.510 0.004 0.000 1.128 242 N CA 0.310 53.360 53.050 -0.000 0.000 0.867 242 N CB 1.500 39.987 38.487 0.000 0.000 0.996 242 N HN 0.118 nan 8.380 nan 0.000 0.503 243 G N 0.958 109.757 108.800 -0.002 0.000 2.356 243 G HA2 -0.269 3.694 3.960 0.004 0.000 0.296 243 G HA3 -0.269 3.694 3.960 0.004 0.000 0.296 243 G C 0.111 175.010 174.900 -0.001 0.000 1.022 243 G CA 0.381 45.481 45.100 -0.001 0.000 0.961 243 G HN 0.527 nan 8.290 nan 0.000 0.510 244 A N -0.606 122.211 122.820 -0.005 0.000 2.302 244 A HA 0.781 5.104 4.320 0.004 0.000 0.285 244 A C 1.256 178.833 177.584 -0.011 0.000 1.105 244 A CA 0.495 52.528 52.037 -0.008 0.000 0.816 244 A CB 0.676 19.669 19.000 -0.011 0.000 1.067 244 A HN 1.079 nan 8.150 nan 0.000 0.489 245 K N 0.364 120.756 120.400 -0.013 0.000 2.361 245 K HA 0.525 4.848 4.320 0.004 0.000 0.196 245 K C 0.299 176.892 176.600 -0.011 0.000 1.039 245 K CA 1.099 57.379 56.287 -0.011 0.000 1.001 245 K CB 0.177 32.669 32.500 -0.014 0.000 0.795 245 K HN 1.001 nan 8.250 nan 0.000 0.495 246 A N -0.625 122.183 122.820 -0.020 0.000 2.536 246 A HA 0.745 5.067 4.320 0.004 0.000 0.293 246 A C -0.977 176.585 177.584 -0.037 0.000 1.119 246 A CA -0.572 51.452 52.037 -0.023 0.000 0.654 246 A CB 1.011 19.995 19.000 -0.025 0.000 1.291 246 A HN 0.353 nan 8.150 nan 0.000 0.439 247 G N -1.026 107.749 108.800 -0.041 0.000 2.489 247 G HA2 0.636 4.599 3.960 0.004 0.000 0.291 247 G HA3 0.636 4.599 3.960 0.004 0.000 0.291 247 G C -1.328 173.544 174.900 -0.047 0.000 1.487 247 G CA 0.297 45.366 45.100 -0.052 0.000 0.795 247 G HN 1.279 nan 8.290 nan 0.000 0.513 248 S N -0.785 114.886 115.700 -0.048 0.000 2.546 248 S HA 0.756 5.229 4.470 0.004 0.000 0.274 248 S C -1.687 172.910 174.600 -0.006 0.000 1.121 248 S CA -0.583 57.602 58.200 -0.026 0.000 0.887 248 S CB 1.881 65.066 63.200 -0.026 0.000 1.094 248 S HN 1.292 nan 8.310 nan 0.000 0.474 249 L N 3.494 124.724 121.223 0.012 0.000 2.482 249 L HA 0.704 5.046 4.340 0.004 0.000 0.269 249 L C -1.684 175.206 176.870 0.034 0.000 0.967 249 L CA -0.534 54.322 54.840 0.026 0.000 0.851 249 L CB 1.107 43.175 42.059 0.014 0.000 1.242 249 L HN 0.457 nan 8.230 nan 0.000 0.404 250 V N 6.359 126.301 119.914 0.046 0.000 2.435 250 V HA 0.575 4.698 4.120 0.004 0.000 0.290 250 V C 0.184 176.308 176.094 0.050 0.000 1.030 250 V CA -0.416 61.909 62.300 0.043 0.000 0.881 250 V CB 1.845 33.697 31.823 0.047 0.000 0.983 250 V HN 0.654 nan 8.190 nan 0.000 0.445 251 I N 5.147 125.739 120.570 0.036 0.000 2.474 251 I HA 0.548 4.721 4.170 0.004 0.000 0.294 251 I C -0.292 175.848 176.117 0.039 0.000 1.005 251 I CA -0.353 60.970 61.300 0.037 0.000 1.113 251 I CB 1.902 39.910 38.000 0.013 0.000 1.289 251 I HN 0.424 nan 8.210 nan 0.000 0.436 252 M N 4.381 124.016 119.600 0.058 0.000 2.530 252 M HA 0.301 4.784 4.480 0.004 0.000 0.307 252 M C -1.069 175.265 176.300 0.057 0.000 1.161 252 M CA -0.714 54.620 55.300 0.056 0.000 0.903 252 M CB 2.507 35.156 32.600 0.082 0.000 1.711 252 M HN 0.455 nan 8.290 nan 0.000 0.451 253 D N 2.255 122.680 120.400 0.042 0.000 2.339 253 D HA 0.174 4.817 4.640 0.004 0.000 0.241 253 D C 1.030 177.360 176.300 0.049 0.000 1.183 253 D CA -0.119 53.905 54.000 0.040 0.000 0.859 253 D CB 1.508 42.324 40.800 0.025 0.000 1.067 253 D HN 0.549 nan 8.370 nan 0.000 0.484 254 V N 2.529 122.475 119.914 0.053 0.000 2.626 254 V HA -0.126 3.996 4.120 0.004 0.000 0.252 254 V C 1.766 177.878 176.094 0.030 0.000 1.067 254 V CA 1.110 63.436 62.300 0.044 0.000 1.081 254 V CB -0.418 31.421 31.823 0.027 0.000 0.686 254 V HN 0.345 nan 8.190 nan 0.000 0.468 255 K N 1.224 121.642 120.400 0.029 0.000 2.211 255 K HA 0.059 4.381 4.320 0.004 0.000 0.201 255 K C 2.126 178.740 176.600 0.024 0.000 1.052 255 K CA 1.390 57.691 56.287 0.023 0.000 0.973 255 K CB -0.072 32.442 32.500 0.023 0.000 0.766 255 K HN 0.719 nan 8.250 nan 0.000 0.466 256 T N -3.607 110.962 114.554 0.025 0.000 3.001 256 T HA 0.210 4.562 4.350 0.004 0.000 0.251 256 T C 1.368 176.080 174.700 0.020 0.000 1.040 256 T CA 0.361 62.473 62.100 0.020 0.000 0.985 256 T CB 0.750 69.626 68.868 0.014 0.000 1.011 256 T HN 0.255 nan 8.240 nan 0.000 0.509 257 G N 1.284 110.102 108.800 0.030 0.000 2.143 257 G HA2 -0.217 3.745 3.960 0.004 0.000 0.249 257 G HA3 -0.217 3.745 3.960 0.004 0.000 0.249 257 G C -0.299 174.594 174.900 -0.012 0.000 0.981 257 G CA 0.050 45.164 45.100 0.022 0.000 0.665 257 G HN 0.655 nan 8.290 nan 0.000 0.528 258 E N -0.337 119.863 120.200 -0.000 0.000 2.249 258 E HA 0.488 4.841 4.350 0.004 0.000 0.280 258 E C 0.488 177.082 176.600 -0.010 0.000 1.016 258 E CA -0.757 55.636 56.400 -0.011 0.000 0.830 258 E CB 1.157 30.854 29.700 -0.005 0.000 1.081 258 E HN 0.337 nan 8.360 nan 0.000 0.395 259 I N 4.964 125.520 120.570 -0.023 0.000 2.278 259 I HA -0.017 4.155 4.170 0.004 0.000 0.296 259 I C 1.125 177.239 176.117 -0.006 0.000 1.121 259 I CA 0.078 61.366 61.300 -0.020 0.000 1.267 259 I CB 0.222 38.195 38.000 -0.045 0.000 1.447 259 I HN 0.537 nan 8.210 nan 0.000 0.509 260 L N 5.653 126.879 121.223 0.005 0.000 2.291 260 L HA 0.135 4.478 4.340 0.004 0.000 0.214 260 L C 1.003 177.881 176.870 0.013 0.000 1.120 260 L CA 0.476 55.321 54.840 0.008 0.000 0.799 260 L CB -0.138 41.926 42.059 0.009 0.000 0.925 260 L HN 0.719 nan 8.230 nan 0.000 0.446 261 A N -0.081 122.747 122.820 0.015 0.000 2.574 261 A HA 0.667 4.990 4.320 0.004 0.000 0.297 261 A C -1.028 176.570 177.584 0.023 0.000 1.062 261 A CA -0.376 51.675 52.037 0.024 0.000 0.686 261 A CB 1.785 20.800 19.000 0.025 0.000 1.285 261 A HN 0.003 nan 8.150 nan 0.000 0.403 262 M N 2.614 122.234 119.600 0.034 0.000 2.213 262 M HA 0.408 4.891 4.480 0.004 0.000 0.243 262 M C -1.310 175.033 176.300 0.071 0.000 0.979 262 M CA 0.126 55.446 55.300 0.033 0.000 1.037 262 M CB 1.503 34.105 32.600 0.003 0.000 2.200 262 M HN 0.849 nan 8.290 nan 0.000 0.465 263 T N 3.517 118.115 114.554 0.074 0.000 2.861 263 T HA 0.666 5.018 4.350 0.004 0.000 0.287 263 T C -1.195 173.558 174.700 0.088 0.000 1.003 263 T CA -0.494 61.676 62.100 0.117 0.000 0.977 263 T CB 1.129 70.070 68.868 0.121 0.000 0.996 263 T HN 0.768 nan 8.240 nan 0.000 0.448 264 N N 3.196 121.980 118.700 0.140 0.000 2.312 264 N HA 0.542 5.285 4.740 0.004 0.000 0.296 264 N C -1.345 174.235 175.510 0.116 0.000 1.193 264 N CA -0.682 52.399 53.050 0.052 0.000 0.773 264 N CB 2.167 40.561 38.487 -0.156 0.000 1.435 264 N HN 0.503 nan 8.380 nan 0.000 0.484 265 Q N 0.761 120.591 119.800 0.049 0.000 2.305 265 Q HA 0.480 4.823 4.340 0.004 0.000 0.271 265 Q C -2.675 173.352 176.000 0.046 0.000 1.046 265 Q CA -1.638 54.197 55.803 0.054 0.000 0.798 265 Q CB 2.871 31.600 28.738 -0.014 0.000 1.286 265 Q HN 0.308 nan 8.270 nan 0.000 0.435 266 P HA 0.186 nan 4.420 nan 0.000 0.274 266 P C -0.596 176.859 177.300 0.257 0.000 1.256 266 P CA -0.214 62.961 63.100 0.125 0.000 0.795 266 P CB 1.343 33.106 31.700 0.106 0.000 1.038 267 T N -0.776 113.928 114.554 0.250 0.000 2.724 267 T HA 0.715 5.067 4.350 0.004 0.000 0.274 267 T C -1.587 173.266 174.700 0.255 0.000 0.984 267 T CA -0.573 61.694 62.100 0.279 0.000 1.024 267 T CB 0.646 69.607 68.868 0.156 0.000 1.320 267 T HN 0.496 nan 8.240 nan 0.000 0.555 268 Y N -0.098 120.182 120.300 -0.034 0.000 2.558 268 Y HA 0.643 5.193 4.550 0.001 0.000 0.333 268 Y C -0.944 174.920 175.900 -0.059 0.000 1.125 268 Y CA -1.450 56.631 58.100 -0.032 0.000 1.039 268 Y CB 0.624 39.063 38.460 -0.036 0.000 1.331 268 Y HN 0.535 nan 8.280 nan 0.000 0.456 269 N N 5.037 123.725 118.700 -0.019 0.000 2.405 269 N HA 0.303 5.045 4.740 0.004 0.000 0.260 269 N C -1.899 173.603 175.510 -0.014 0.000 1.152 269 N CA -2.392 50.616 53.050 -0.070 0.000 0.948 269 N CB 1.103 39.595 38.487 0.010 0.000 1.111 269 N HN 0.524 nan 8.380 nan 0.000 0.485 270 P HA -0.035 nan 4.420 nan 0.000 0.233 270 P C 0.217 177.507 177.300 -0.016 0.000 1.167 270 P CA 0.698 63.744 63.100 -0.092 0.000 0.770 270 P CB 0.391 31.921 31.700 -0.283 0.000 0.837 271 N N 0.031 118.788 118.700 0.095 0.000 2.188 271 N HA -0.076 4.667 4.740 0.004 0.000 0.184 271 N C 0.678 176.227 175.510 0.064 0.000 1.018 271 N CA 0.929 54.066 53.050 0.146 0.000 0.858 271 N CB -0.397 38.217 38.487 0.212 0.000 0.989 271 N HN 0.139 nan 8.380 nan 0.000 0.426 272 N N 1.147 119.872 118.700 0.041 0.000 2.800 272 N HA 0.139 4.882 4.740 0.004 0.000 0.240 272 N C -1.018 174.489 175.510 -0.006 0.000 1.096 272 N CA -0.104 52.959 53.050 0.021 0.000 0.877 272 N CB 0.296 38.806 38.487 0.038 0.000 1.138 272 N HN 0.000 nan 8.380 nan 0.000 0.509 273 R N 2.599 123.061 120.500 -0.062 0.000 3.559 273 R HA 0.325 4.668 4.340 0.004 0.000 0.273 273 R C 0.714 176.963 176.300 -0.085 0.000 1.423 273 R CA -0.096 55.937 56.100 -0.112 0.000 1.581 273 R CB 0.804 30.941 30.300 -0.272 0.000 1.338 273 R HN 0.381 nan 8.270 nan 0.000 0.667 274 R N -0.335 120.139 120.500 -0.044 0.000 2.215 274 R HA 0.096 4.439 4.340 0.004 0.000 0.190 274 R C 0.659 176.945 176.300 -0.023 0.000 0.968 274 R CA -0.028 56.054 56.100 -0.030 0.000 1.122 274 R CB 0.275 30.566 30.300 -0.014 0.000 1.151 274 R HN 0.018 nan 8.270 nan 0.000 0.582 275 N N 1.552 120.244 118.700 -0.014 0.000 3.025 275 N HA 0.183 4.925 4.740 0.004 0.000 0.315 275 N C -1.167 174.335 175.510 -0.013 0.000 1.511 275 N CA -0.056 52.989 53.050 -0.008 0.000 1.097 275 N CB 0.140 38.629 38.487 0.004 0.000 1.395 275 N HN 0.061 nan 8.380 nan 0.000 0.511 276 L N 1.234 122.435 121.223 -0.036 0.000 2.313 276 L HA 0.269 4.612 4.340 0.004 0.000 0.282 276 L C 0.699 177.541 176.870 -0.047 0.000 1.092 276 L CA -0.325 54.477 54.840 -0.063 0.000 0.831 276 L CB 0.855 42.839 42.059 -0.126 0.000 1.159 276 L HN 0.092 nan 8.230 nan 0.000 0.442 277 Q N 4.460 124.242 119.800 -0.030 0.000 2.259 277 Q HA 0.198 4.541 4.340 0.004 0.000 0.249 277 Q C -1.499 174.488 176.000 -0.022 0.000 0.914 277 Q CA -1.811 53.983 55.803 -0.014 0.000 0.904 277 Q CB 1.417 30.161 28.738 0.009 0.000 1.213 277 Q HN 0.372 nan 8.270 nan 0.000 0.428 278 P HA -0.206 nan 4.420 nan 0.000 0.215 278 P C 0.724 178.027 177.300 0.006 0.000 1.153 278 P CA 1.470 64.564 63.100 -0.010 0.000 0.853 278 P CB 0.187 31.886 31.700 -0.002 0.000 0.788 279 A N -0.282 122.549 122.820 0.019 0.000 2.014 279 A HA 0.085 4.408 4.320 0.004 0.000 0.218 279 A C 2.265 179.895 177.584 0.076 0.000 1.163 279 A CA 1.478 53.536 52.037 0.035 0.000 0.652 279 A CB -1.327 17.689 19.000 0.027 0.000 0.808 279 A HN 0.197 nan 8.150 nan 0.000 0.449 280 A N -0.839 122.035 122.820 0.090 0.000 2.015 280 A HA 0.047 4.370 4.320 0.004 0.000 0.219 280 A C 2.020 179.818 177.584 0.356 0.000 1.163 280 A CA 1.479 53.631 52.037 0.192 0.000 0.646 280 A CB -0.403 18.688 19.000 0.151 0.000 0.806 280 A HN 0.498 nan 8.150 nan 0.000 0.448 281 M N -0.818 118.867 119.600 0.142 0.000 2.502 281 M HA 0.111 4.593 4.480 0.004 0.000 0.243 281 M C 0.212 176.697 176.300 0.308 0.000 1.130 281 M CA 0.014 55.406 55.300 0.154 0.000 1.055 281 M CB 0.258 32.744 32.600 -0.190 0.000 1.457 281 M HN 0.146 nan 8.290 nan 0.000 0.488 282 R N 2.022 122.609 120.500 0.145 0.000 2.446 282 R HA -0.009 4.334 4.340 0.004 0.000 0.314 282 R C 0.082 176.256 176.300 -0.211 0.000 1.003 282 R CA -0.101 56.007 56.100 0.014 0.000 1.018 282 R CB -0.153 30.140 30.300 -0.011 0.000 0.945 282 R HN 0.043 nan 8.270 nan 0.000 0.419 283 N N 3.289 121.918 118.700 -0.118 0.000 2.671 283 N HA -0.012 4.731 4.740 0.004 0.000 0.274 283 N C 0.616 176.045 175.510 -0.135 0.000 1.188 283 N CA 0.194 53.122 53.050 -0.203 0.000 1.065 283 N CB 0.286 38.803 38.487 0.050 0.000 1.415 283 N HN 0.423 nan 8.380 nan 0.000 0.511 284 R N 1.602 121.990 120.500 -0.188 0.000 2.081 284 R HA -0.093 4.250 4.340 0.004 0.000 0.235 284 R C 1.832 178.118 176.300 -0.023 0.000 1.131 284 R CA 1.598 57.650 56.100 -0.081 0.000 0.960 284 R CB -0.219 30.029 30.300 -0.086 0.000 0.856 284 R HN 0.508 nan 8.270 nan 0.000 0.436 285 A N 0.336 123.134 122.820 -0.036 0.000 2.084 285 A HA -0.179 4.143 4.320 0.004 0.000 0.221 285 A C 1.959 179.547 177.584 0.007 0.000 1.161 285 A CA 1.565 53.605 52.037 0.005 0.000 0.653 285 A CB -0.254 18.739 19.000 -0.012 0.000 0.802 285 A HN 0.272 nan 8.150 nan 0.000 0.457 286 M N -1.736 117.853 119.600 -0.019 0.000 2.449 286 M HA 0.270 4.753 4.480 0.004 0.000 0.262 286 M C 1.659 177.962 176.300 0.005 0.000 1.152 286 M CA 0.426 55.709 55.300 -0.029 0.000 1.104 286 M CB 0.476 33.032 32.600 -0.074 0.000 1.416 286 M HN 0.633 nan 8.290 nan 0.000 0.519 287 I N -3.811 116.769 120.570 0.018 0.000 4.312 287 I HA 0.268 4.440 4.170 0.004 0.000 0.324 287 I C -0.613 175.529 176.117 0.042 0.000 1.298 287 I CA -0.103 61.212 61.300 0.026 0.000 1.231 287 I CB 0.249 38.263 38.000 0.023 0.000 1.152 287 I HN -0.171 nan 8.210 nan 0.000 0.421 288 D N 4.283 124.721 120.400 0.064 0.000 2.352 288 D HA 0.259 4.901 4.640 0.004 0.000 0.245 288 D C 0.202 176.630 176.300 0.213 0.000 1.224 288 D CA 0.231 54.295 54.000 0.107 0.000 0.879 288 D CB 1.601 42.449 40.800 0.080 0.000 1.057 288 D HN 0.228 nan 8.370 nan 0.000 0.491 289 V N 1.167 121.168 119.914 0.145 0.000 2.686 289 V HA 0.835 4.957 4.120 0.004 0.000 0.295 289 V C -0.299 175.919 176.094 0.206 0.000 1.057 289 V CA -0.497 61.861 62.300 0.096 0.000 1.012 289 V CB 0.690 32.509 31.823 -0.005 0.000 1.006 289 V HN 0.357 nan 8.190 nan 0.000 0.477 290 F N 0.000 119.941 119.950 -0.016 0.000 2.703 290 F HA 0.697 5.238 4.527 0.023 0.000 0.308 290 F C -0.805 174.986 175.800 -0.015 0.000 1.126 290 F CA -1.236 56.756 58.000 -0.014 0.000 0.959 290 F CB 1.134 40.136 39.000 0.004 0.000 1.297 290 F HN 0.524 nan 8.300 nan 0.000 0.441 291 E N 3.989 124.254 120.200 0.107 0.000 2.217 291 E HA 0.199 4.552 4.350 0.004 0.000 0.279 291 E C -1.831 174.882 176.600 0.188 0.000 1.068 291 E CA -1.529 54.885 56.400 0.024 0.000 0.882 291 E CB 0.861 30.548 29.700 -0.021 0.000 1.039 291 E HN 0.424 nan 8.360 nan 0.000 0.418 292 P HA -0.113 nan 4.420 nan 0.000 0.219 292 P C 0.937 178.377 177.300 0.234 0.000 1.150 292 P CA 1.320 64.537 63.100 0.196 0.000 0.814 292 P CB 0.293 32.035 31.700 0.071 0.000 0.787 293 G N 0.227 109.148 108.800 0.201 0.000 2.557 293 G HA2 -0.350 3.613 3.960 0.004 0.000 0.292 293 G HA3 -0.350 3.613 3.960 0.004 0.000 0.292 293 G C 1.346 176.377 174.900 0.218 0.000 1.162 293 G CA 0.654 45.903 45.100 0.247 0.000 0.964 293 G HN 0.242 nan 8.290 nan 0.000 0.541 294 S N 1.063 116.880 115.700 0.196 0.000 2.423 294 S HA -0.036 4.437 4.470 0.004 0.000 0.231 294 S C 2.530 177.196 174.600 0.111 0.000 1.014 294 S CA 2.527 60.810 58.200 0.138 0.000 0.965 294 S CB -0.516 62.745 63.200 0.100 0.000 0.785 294 S HN 1.522 nan 8.310 nan 0.000 0.495 295 T N 0.325 114.964 114.554 0.142 0.000 3.051 295 T HA -0.019 4.334 4.350 0.004 0.000 0.269 295 T C 1.613 176.477 174.700 0.273 0.000 1.127 295 T CA 1.019 63.224 62.100 0.174 0.000 1.107 295 T CB -0.554 68.413 68.868 0.164 0.000 0.898 295 T HN 0.389 nan 8.240 nan 0.000 0.517 296 V N -2.010 118.047 119.914 0.238 0.000 3.647 296 V HA 0.354 4.477 4.120 0.004 0.000 0.279 296 V C 2.099 178.279 176.094 0.144 0.000 1.314 296 V CA -0.220 62.274 62.300 0.323 0.000 1.125 296 V CB -0.563 31.421 31.823 0.268 0.000 0.907 296 V HN 0.252 nan 8.190 nan 0.000 0.434 297 K N 1.342 121.772 120.400 0.050 0.000 2.113 297 K HA -0.085 4.237 4.320 0.004 0.000 0.208 297 K C -0.388 176.134 176.600 -0.130 0.000 1.047 297 K CA 2.077 58.350 56.287 -0.024 0.000 0.928 297 K CB -1.290 31.199 32.500 -0.018 0.000 0.716 297 K HN 0.484 nan 8.250 nan 0.000 0.446 298 P HA -0.118 nan 4.420 nan 0.000 0.225 298 P C 0.587 177.564 177.300 -0.538 0.000 1.148 298 P CA 1.129 63.965 63.100 -0.440 0.000 0.779 298 P CB 0.039 31.354 31.700 -0.641 0.000 0.780 299 F N -1.093 118.764 119.950 -0.154 0.000 2.387 299 F HA -0.013 4.515 4.527 0.002 0.000 0.294 299 F C 2.353 178.070 175.800 -0.139 0.000 1.093 299 F CA 0.586 58.491 58.000 -0.159 0.000 1.420 299 F CB -0.857 38.046 39.000 -0.162 0.000 1.086 299 F HN -0.191 nan 8.300 nan 0.000 0.531 300 S N 0.375 116.087 115.700 0.019 0.000 2.370 300 S HA -0.189 4.284 4.470 0.004 0.000 0.226 300 S C 2.069 176.598 174.600 -0.118 0.000 1.033 300 S CA 1.171 59.333 58.200 -0.064 0.000 1.011 300 S CB -0.263 62.886 63.200 -0.085 0.000 0.852 300 S HN 0.236 nan 8.310 nan 0.000 0.457 301 M N 1.441 120.959 119.600 -0.138 0.000 2.175 301 M HA 0.035 4.518 4.480 0.004 0.000 0.264 301 M C 2.224 178.459 176.300 -0.108 0.000 1.063 301 M CA 0.995 56.202 55.300 -0.156 0.000 1.119 301 M CB -1.455 31.051 32.600 -0.156 0.000 1.377 301 M HN 0.211 nan 8.290 nan 0.000 0.415 302 S N 0.950 116.597 115.700 -0.089 0.000 2.399 302 S HA -0.037 4.435 4.470 0.004 0.000 0.231 302 S C 2.045 176.628 174.600 -0.028 0.000 1.022 302 S CA 1.222 59.390 58.200 -0.052 0.000 0.983 302 S CB -0.252 62.928 63.200 -0.033 0.000 0.803 302 S HN 0.565 nan 8.310 nan 0.000 0.480 303 A N 1.317 124.116 122.820 -0.034 0.000 1.968 303 A HA 0.283 4.606 4.320 0.004 0.000 0.217 303 A C 2.290 179.864 177.584 -0.016 0.000 1.169 303 A CA 1.371 53.392 52.037 -0.028 0.000 0.638 303 A CB -0.835 18.138 19.000 -0.046 0.000 0.812 303 A HN 0.484 nan 8.150 nan 0.000 0.446 304 A N -0.263 122.521 122.820 -0.059 0.000 1.873 304 A HA 0.020 4.343 4.320 0.004 0.000 0.215 304 A C 1.907 179.559 177.584 0.113 0.000 1.186 304 A CA 1.607 53.617 52.037 -0.044 0.000 0.616 304 A CB -0.546 18.261 19.000 -0.321 0.000 0.823 304 A HN 0.366 nan 8.150 nan 0.000 0.442 305 L N -0.410 120.848 121.223 0.058 0.000 2.131 305 L HA -0.100 4.243 4.340 0.004 0.000 0.210 305 L C 2.804 179.717 176.870 0.071 0.000 1.092 305 L CA 1.806 56.696 54.840 0.083 0.000 0.759 305 L CB -1.211 40.868 42.059 0.033 0.000 0.903 305 L HN 0.425 nan 8.230 nan 0.000 0.435 306 A N -1.214 121.635 122.820 0.047 0.000 2.123 306 A HA -0.064 4.259 4.320 0.004 0.000 0.214 306 A C 2.420 180.035 177.584 0.052 0.000 1.152 306 A CA 1.060 53.119 52.037 0.037 0.000 0.728 306 A CB -0.500 18.510 19.000 0.017 0.000 0.814 306 A HN 0.496 nan 8.150 nan 0.000 0.464 307 S N -1.121 114.629 115.700 0.083 0.000 2.423 307 S HA 0.232 4.704 4.470 0.004 0.000 0.231 307 S C 1.595 176.242 174.600 0.079 0.000 1.014 307 S CA 1.461 59.718 58.200 0.094 0.000 0.965 307 S CB -0.569 62.724 63.200 0.156 0.000 0.785 307 S HN 1.905 nan 8.310 nan 0.000 0.495 308 G N 1.091 109.939 108.800 0.081 0.000 2.141 308 G HA2 -0.226 3.737 3.960 0.004 0.000 0.231 308 G HA3 -0.226 3.737 3.960 0.004 0.000 0.231 308 G C 0.670 175.575 174.900 0.009 0.000 0.984 308 G CA 0.211 45.335 45.100 0.041 0.000 0.660 308 G HN 0.576 nan 8.290 nan 0.000 0.525 309 R N -1.763 118.754 120.500 0.028 0.000 2.509 309 R HA 0.353 4.695 4.340 0.004 0.000 0.297 309 R C -0.400 175.629 176.300 -0.452 0.000 0.951 309 R CA -0.119 55.874 56.100 -0.177 0.000 1.103 309 R CB 0.637 30.843 30.300 -0.156 0.000 1.283 309 R HN 0.352 nan 8.270 nan 0.000 0.534 310 W N 2.079 123.376 121.300 -0.006 0.000 3.042 310 W HA 0.324 4.988 4.660 0.006 0.000 0.337 310 W C -0.609 175.903 176.519 -0.011 0.000 1.086 310 W CA -0.881 56.459 57.345 -0.008 0.000 1.236 310 W CB 1.252 30.705 29.460 -0.012 0.000 1.381 310 W HN -0.198 nan 8.180 nan 0.000 0.472 311 K N 1.954 122.471 120.400 0.195 0.000 2.221 311 K HA 0.662 4.985 4.320 0.004 0.000 0.243 311 K C -2.311 174.374 176.600 0.141 0.000 0.968 311 K CA -1.710 54.651 56.287 0.124 0.000 0.846 311 K CB 2.177 34.711 32.500 0.058 0.000 1.141 311 K HN -0.050 nan 8.250 nan 0.000 0.434 312 P HA -0.210 nan 4.420 nan 0.000 0.218 312 P C 1.027 178.369 177.300 0.070 0.000 1.148 312 P CA 1.452 64.592 63.100 0.067 0.000 0.822 312 P CB 0.073 31.794 31.700 0.035 0.000 0.784 313 S N -2.526 113.211 115.700 0.061 0.000 2.522 313 S HA -0.020 4.452 4.470 0.004 0.000 0.227 313 S C 0.799 175.440 174.600 0.069 0.000 0.986 313 S CA 0.138 58.368 58.200 0.051 0.000 0.929 313 S CB -0.922 62.296 63.200 0.031 0.000 0.769 313 S HN 0.031 nan 8.310 nan 0.000 0.529 314 D N 1.479 121.944 120.400 0.108 0.000 2.362 314 D HA 0.305 4.948 4.640 0.004 0.000 0.238 314 D C -0.126 176.287 176.300 0.188 0.000 1.212 314 D CA 0.104 54.186 54.000 0.136 0.000 0.902 314 D CB 0.397 41.306 40.800 0.180 0.000 1.180 314 D HN 0.119 nan 8.370 nan 0.000 0.445 315 I N 1.048 121.728 120.570 0.183 0.000 2.569 315 I HA 0.292 4.464 4.170 0.004 0.000 0.296 315 I C -0.461 175.794 176.117 0.231 0.000 1.028 315 I CA -0.728 60.668 61.300 0.159 0.000 1.082 315 I CB 1.818 39.869 38.000 0.085 0.000 1.264 315 I HN -0.000 nan 8.210 nan 0.000 0.429 316 V N 4.358 124.378 119.914 0.176 0.000 2.588 316 V HA 0.304 4.426 4.120 0.004 0.000 0.304 316 V C -0.366 175.791 176.094 0.104 0.000 1.042 316 V CA -0.869 61.530 62.300 0.166 0.000 0.877 316 V CB 2.239 34.132 31.823 0.117 0.000 0.996 316 V HN 0.618 nan 8.190 nan 0.000 0.425 317 D N 3.129 123.593 120.400 0.107 0.000 2.343 317 D HA 0.224 4.867 4.640 0.004 0.000 0.255 317 D C 0.627 176.989 176.300 0.104 0.000 1.187 317 D CA 0.051 54.111 54.000 0.099 0.000 0.875 317 D CB 1.922 42.781 40.800 0.098 0.000 1.136 317 D HN 0.487 nan 8.370 nan 0.000 0.469 318 V N 2.929 122.904 119.914 0.103 0.000 3.276 318 V HA 0.286 4.409 4.120 0.004 0.000 0.319 318 V C 0.340 176.495 176.094 0.102 0.000 1.427 318 V CA -0.744 61.602 62.300 0.077 0.000 1.102 318 V CB -1.258 30.586 31.823 0.034 0.000 1.020 318 V HN 0.423 nan 8.190 nan 0.000 0.456 319 Y N 3.850 124.159 120.300 0.014 0.000 2.411 319 Y HA 0.522 5.075 4.550 0.005 0.000 0.333 319 Y C -1.641 174.268 175.900 0.015 0.000 1.186 319 Y CA -1.442 56.665 58.100 0.011 0.000 1.381 319 Y CB 1.521 39.989 38.460 0.013 0.000 1.273 319 Y HN 0.190 nan 8.280 nan 0.000 0.546 320 P HA 0.254 nan 4.420 nan 0.000 0.250 320 P C 0.159 177.262 177.300 -0.330 0.000 1.808 320 P CA 0.503 63.097 63.100 -0.845 0.000 1.117 320 P CB 0.239 31.308 31.700 -1.052 0.000 1.602 321 G N -0.013 108.690 108.800 -0.162 0.000 2.136 321 G HA2 -0.189 3.774 3.960 0.004 0.000 0.242 321 G HA3 -0.189 3.774 3.960 0.004 0.000 0.242 321 G C 0.143 174.986 174.900 -0.095 0.000 0.989 321 G CA 0.326 45.365 45.100 -0.102 0.000 0.682 321 G HN 0.719 nan 8.290 nan 0.000 0.522 322 T N -2.497 112.003 114.554 -0.091 0.000 2.841 322 T HA 0.780 5.133 4.350 0.004 0.000 0.296 322 T C -0.827 173.860 174.700 -0.021 0.000 1.166 322 T CA -0.778 61.283 62.100 -0.064 0.000 1.007 322 T CB 2.960 71.785 68.868 -0.072 0.000 1.253 322 T HN 0.978 nan 8.240 nan 0.000 0.511 323 L N 1.481 122.709 121.223 0.009 0.000 2.596 323 L HA 0.430 4.772 4.340 0.004 0.000 0.265 323 L C -0.977 175.940 176.870 0.079 0.000 0.962 323 L CA -0.648 54.231 54.840 0.065 0.000 0.891 323 L CB 2.102 44.233 42.059 0.119 0.000 1.248 323 L HN 0.940 nan 8.230 nan 0.000 0.410 324 Q N 4.420 124.259 119.800 0.064 0.000 2.286 324 Q HA 0.333 4.676 4.340 0.004 0.000 0.267 324 Q C -1.000 175.051 176.000 0.084 0.000 1.028 324 Q CA 0.330 56.170 55.803 0.063 0.000 0.901 324 Q CB 0.645 29.407 28.738 0.039 0.000 1.183 324 Q HN 0.455 nan 8.270 nan 0.000 0.392 325 I N 5.618 126.257 120.570 0.114 0.000 2.623 325 I HA 0.353 4.525 4.170 0.004 0.000 0.275 325 I C 0.865 177.041 176.117 0.098 0.000 1.108 325 I CA 0.408 61.771 61.300 0.104 0.000 1.120 325 I CB -0.169 37.934 38.000 0.171 0.000 1.249 325 I HN 0.925 nan 8.210 nan 0.000 0.500 326 G N 6.872 115.704 108.800 0.053 0.000 2.595 326 G HA2 -0.380 3.583 3.960 0.004 0.000 0.297 326 G HA3 -0.380 3.583 3.960 0.004 0.000 0.297 326 G C 0.992 175.931 174.900 0.065 0.000 1.181 326 G CA 0.777 45.906 45.100 0.049 0.000 0.963 326 G HN 0.644 nan 8.290 nan 0.000 0.541 327 R N -1.101 119.453 120.500 0.091 0.000 2.225 327 R HA 0.424 4.767 4.340 0.004 0.000 0.194 327 R C 1.383 177.752 176.300 0.115 0.000 0.957 327 R CA 0.274 56.425 56.100 0.085 0.000 1.042 327 R CB -0.203 30.140 30.300 0.071 0.000 1.004 327 R HN 0.450 nan 8.270 nan 0.000 0.509 328 Y N 2.493 122.804 120.300 0.018 0.000 2.811 328 Y HA -0.008 4.544 4.550 0.004 0.000 0.334 328 Y C -0.375 175.540 175.900 0.026 0.000 1.247 328 Y CA 0.982 59.096 58.100 0.023 0.000 1.526 328 Y CB 0.809 39.292 38.460 0.037 0.000 1.284 328 Y HN 0.016 nan 8.280 nan 0.000 0.586 329 T N 7.388 121.875 114.554 -0.111 0.000 2.963 329 T HA 0.397 4.749 4.350 0.004 0.000 0.328 329 T C -0.164 174.481 174.700 -0.092 0.000 1.048 329 T CA -0.611 61.456 62.100 -0.054 0.000 1.033 329 T CB -0.074 68.751 68.868 -0.072 0.000 1.010 329 T HN 0.409 nan 8.240 nan 0.000 0.469 330 I N 3.319 123.896 120.570 0.011 0.000 2.754 330 I HA 0.295 4.467 4.170 0.004 0.000 0.285 330 I C 0.806 176.869 176.117 -0.090 0.000 1.166 330 I CA 0.089 61.368 61.300 -0.036 0.000 1.417 330 I CB 0.478 38.493 38.000 0.025 0.000 1.382 330 I HN 0.312 nan 8.210 nan 0.000 0.588 331 R N 3.692 124.106 120.500 -0.144 0.000 2.604 331 R HA 0.370 4.712 4.340 0.004 0.000 0.281 331 R C -1.643 174.578 176.300 -0.132 0.000 1.020 331 R CA -0.998 55.032 56.100 -0.117 0.000 0.899 331 R CB 2.047 32.291 30.300 -0.093 0.000 1.205 331 R HN 0.485 nan 8.270 nan 0.000 0.450 332 D N 1.063 121.401 120.400 -0.103 0.000 2.294 332 D HA 0.084 4.727 4.640 0.004 0.000 0.250 332 D C 0.742 177.005 176.300 -0.061 0.000 1.058 332 D CA -0.464 53.481 54.000 -0.091 0.000 0.950 332 D CB 2.310 43.061 40.800 -0.082 0.000 1.158 332 D HN 0.123 nan 8.370 nan 0.000 0.453 333 V N 0.903 120.787 119.914 -0.050 0.000 2.346 333 V HA -0.073 4.050 4.120 0.004 0.000 0.244 333 V C 0.875 176.933 176.094 -0.060 0.000 1.037 333 V CA 1.335 63.615 62.300 -0.033 0.000 1.029 333 V CB 0.286 32.092 31.823 -0.028 0.000 0.663 333 V HN 0.517 nan 8.190 nan 0.000 0.454 334 S N 0.988 116.639 115.700 -0.082 0.000 2.416 334 S HA 0.361 4.834 4.470 0.004 0.000 0.287 334 S C 0.288 174.855 174.600 -0.055 0.000 1.139 334 S CA -0.570 57.585 58.200 -0.075 0.000 1.058 334 S CB -0.014 63.134 63.200 -0.088 0.000 0.967 334 S HN 0.562 nan 8.310 nan 0.000 0.495 335 R N 4.000 124.472 120.500 -0.045 0.000 2.989 335 R HA 0.305 4.647 4.340 0.004 0.000 0.340 335 R C -0.755 175.534 176.300 -0.019 0.000 1.205 335 R CA -0.373 55.701 56.100 -0.044 0.000 1.235 335 R CB 0.049 30.310 30.300 -0.065 0.000 1.394 335 R HN 0.413 nan 8.270 nan 0.000 0.598 336 N N 0.651 119.350 118.700 -0.002 0.000 2.735 336 N HA 0.191 4.934 4.740 0.004 0.000 0.312 336 N C -1.213 174.321 175.510 0.041 0.000 1.843 336 N CA -0.063 53.002 53.050 0.025 0.000 0.945 336 N CB 1.567 40.059 38.487 0.009 0.000 1.299 336 N HN 0.030 nan 8.380 nan 0.000 0.489 337 S N -0.574 115.167 115.700 0.070 0.000 2.536 337 S HA 0.474 4.947 4.470 0.004 0.000 0.271 337 S C 0.678 175.368 174.600 0.150 0.000 1.134 337 S CA -0.671 57.575 58.200 0.076 0.000 0.897 337 S CB 3.149 66.372 63.200 0.038 0.000 1.094 337 S HN 0.419 nan 8.310 nan 0.000 0.473 338 R N 1.409 121.976 120.500 0.112 0.000 2.081 338 R HA 0.335 4.678 4.340 0.004 0.000 0.158 338 R C -0.500 175.846 176.300 0.077 0.000 1.886 338 R CA 0.088 56.259 56.100 0.117 0.000 1.479 338 R CB -0.006 30.300 30.300 0.009 0.000 1.254 338 R HN 0.615 nan 8.270 nan 0.000 0.475 339 Q N 1.425 121.251 119.800 0.043 0.000 2.331 339 Q HA 0.396 4.739 4.340 0.004 0.000 0.257 339 Q C -1.284 174.739 176.000 0.037 0.000 0.957 339 Q CA -0.229 55.600 55.803 0.043 0.000 0.923 339 Q CB 1.950 30.707 28.738 0.032 0.000 1.212 339 Q HN 0.297 nan 8.270 nan 0.000 0.443 340 L N 2.765 124.012 121.223 0.040 0.000 2.346 340 L HA 0.407 4.749 4.340 0.004 0.000 0.276 340 L C -0.078 176.816 176.870 0.039 0.000 1.006 340 L CA -1.122 53.735 54.840 0.028 0.000 0.817 340 L CB 1.460 43.526 42.059 0.012 0.000 1.272 340 L HN 0.667 nan 8.230 nan 0.000 0.421 341 D N 1.972 122.392 120.400 0.033 0.000 2.411 341 D HA 0.127 4.770 4.640 0.004 0.000 0.251 341 D C 1.051 177.363 176.300 0.021 0.000 1.201 341 D CA -0.501 53.526 54.000 0.045 0.000 0.996 341 D CB 0.909 41.733 40.800 0.041 0.000 1.101 341 D HN 0.331 nan 8.370 nan 0.000 0.504 342 L N -0.724 120.514 121.223 0.025 0.000 2.083 342 L HA -0.164 4.178 4.340 0.004 0.000 0.209 342 L C 2.272 179.122 176.870 -0.032 0.000 1.083 342 L CA 1.574 56.402 54.840 -0.020 0.000 0.752 342 L CB -0.834 41.217 42.059 -0.013 0.000 0.899 342 L HN 0.505 nan 8.230 nan 0.000 0.433 343 T N -0.199 114.346 114.554 -0.015 0.000 2.746 343 T HA -0.116 4.237 4.350 0.004 0.000 0.267 343 T C 1.875 176.562 174.700 -0.021 0.000 1.039 343 T CA 1.289 63.378 62.100 -0.019 0.000 1.142 343 T CB -0.505 68.358 68.868 -0.007 0.000 0.866 343 T HN 0.555 nan 8.240 nan 0.000 0.444 344 G N 1.457 110.250 108.800 -0.013 0.000 2.440 344 G HA2 -0.182 3.781 3.960 0.004 0.000 0.218 344 G HA3 -0.182 3.781 3.960 0.004 0.000 0.218 344 G C 1.521 176.406 174.900 -0.026 0.000 1.154 344 G CA 0.631 45.723 45.100 -0.014 0.000 0.767 344 G HN 0.496 nan 8.290 nan 0.000 0.552 345 I N 0.379 120.928 120.570 -0.035 0.000 2.208 345 I HA -0.172 4.001 4.170 0.004 0.000 0.245 345 I C 2.676 178.760 176.117 -0.054 0.000 1.097 345 I CA 0.812 62.081 61.300 -0.052 0.000 1.363 345 I CB -0.141 37.813 38.000 -0.077 0.000 1.051 345 I HN 0.152 nan 8.210 nan 0.000 0.413 346 L N -0.138 121.052 121.223 -0.054 0.000 2.072 346 L HA -0.146 4.196 4.340 0.004 0.000 0.205 346 L C 2.480 179.323 176.870 -0.045 0.000 1.079 346 L CA 1.169 55.977 54.840 -0.054 0.000 0.752 346 L CB -0.422 41.599 42.059 -0.063 0.000 0.906 346 L HN 0.172 nan 8.230 nan 0.000 0.436 347 I N -0.002 120.546 120.570 -0.037 0.000 2.142 347 I HA -0.274 3.899 4.170 0.004 0.000 0.240 347 I C 2.391 178.483 176.117 -0.042 0.000 1.078 347 I CA 1.314 62.596 61.300 -0.030 0.000 1.343 347 I CB -0.240 37.749 38.000 -0.018 0.000 1.046 347 I HN 0.184 nan 8.210 nan 0.000 0.405 348 K N 0.149 120.522 120.400 -0.045 0.000 2.366 348 K HA 0.083 4.406 4.320 0.004 0.000 0.198 348 K C 0.840 177.399 176.600 -0.068 0.000 1.044 348 K CA 0.373 56.626 56.287 -0.058 0.000 0.973 348 K CB -0.194 32.278 32.500 -0.047 0.000 0.767 348 K HN 0.169 nan 8.250 nan 0.000 0.475 349 S N 1.108 116.774 115.700 -0.056 0.000 3.697 349 S HA -0.137 4.335 4.470 0.004 0.000 0.388 349 S C -0.107 174.460 174.600 -0.055 0.000 0.941 349 S CA 0.559 58.731 58.200 -0.048 0.000 1.247 349 S CB -1.233 61.942 63.200 -0.042 0.000 0.904 349 S HN 0.438 nan 8.310 nan 0.000 0.518 350 S N 1.201 116.864 115.700 -0.061 0.000 2.411 350 S HA 0.320 4.793 4.470 0.004 0.000 0.304 350 S C 1.353 175.897 174.600 -0.094 0.000 1.098 350 S CA -0.736 57.419 58.200 -0.074 0.000 1.068 350 S CB 0.241 63.405 63.200 -0.060 0.000 1.032 350 S HN 0.520 nan 8.310 nan 0.000 0.511 351 N N 4.029 122.642 118.700 -0.146 0.000 2.137 351 N HA -0.122 4.621 4.740 0.004 0.000 0.190 351 N C 1.717 177.112 175.510 -0.191 0.000 1.017 351 N CA 1.158 54.055 53.050 -0.254 0.000 0.859 351 N CB -0.447 37.696 38.487 -0.574 0.000 1.002 351 N HN 0.497 nan 8.380 nan 0.000 0.428 352 V N 0.667 120.495 119.914 -0.143 0.000 2.295 352 V HA -0.147 3.975 4.120 0.004 0.000 0.246 352 V C 2.476 178.519 176.094 -0.084 0.000 1.049 352 V CA 2.042 64.291 62.300 -0.086 0.000 1.024 352 V CB -1.270 30.524 31.823 -0.049 0.000 0.648 352 V HN 0.337 nan 8.190 nan 0.000 0.447 353 G N -0.247 108.504 108.800 -0.081 0.000 2.440 353 G HA2 -0.269 3.694 3.960 0.004 0.000 0.218 353 G HA3 -0.269 3.694 3.960 0.004 0.000 0.218 353 G C 1.529 176.333 174.900 -0.160 0.000 1.154 353 G CA 1.106 46.151 45.100 -0.092 0.000 0.767 353 G HN 0.457 nan 8.290 nan 0.000 0.552 354 I N 0.837 121.318 120.570 -0.148 0.000 2.928 354 I HA 0.066 4.239 4.170 0.004 0.000 0.266 354 I C 2.555 178.537 176.117 -0.225 0.000 1.234 354 I CA 0.725 61.920 61.300 -0.175 0.000 1.483 354 I CB 0.084 38.035 38.000 -0.082 0.000 1.097 354 I HN 0.052 nan 8.210 nan 0.000 0.455 355 S N 0.090 115.643 115.700 -0.246 0.000 2.388 355 S HA -0.064 4.409 4.470 0.004 0.000 0.223 355 S C 1.929 175.925 174.600 -1.007 0.000 1.034 355 S CA 0.735 58.631 58.200 -0.507 0.000 0.963 355 S CB -0.110 62.906 63.200 -0.306 0.000 0.827 355 S HN 0.389 nan 8.310 nan 0.000 0.481 356 K N 1.079 121.157 120.400 -0.537 0.000 2.063 356 K HA -0.031 4.291 4.320 0.004 0.000 0.208 356 K C 1.941 178.433 176.600 -0.178 0.000 1.048 356 K CA 1.231 57.370 56.287 -0.246 0.000 0.928 356 K CB -0.411 32.099 32.500 0.015 0.000 0.713 356 K HN 0.338 nan 8.250 nan 0.000 0.442 357 I N 0.979 121.365 120.570 -0.308 0.000 2.226 357 I HA -0.269 3.903 4.170 0.004 0.000 0.245 357 I C 2.484 178.430 176.117 -0.286 0.000 1.100 357 I CA 1.042 62.072 61.300 -0.450 0.000 1.374 357 I CB -0.384 37.150 38.000 -0.777 0.000 1.057 357 I HN 0.144 nan 8.210 nan 0.000 0.413 358 A N 0.770 123.389 122.820 -0.336 0.000 1.972 358 A HA -0.177 4.146 4.320 0.004 0.000 0.219 358 A C 1.968 179.521 177.584 -0.051 0.000 1.169 358 A CA 1.443 53.335 52.037 -0.242 0.000 0.635 358 A CB -0.736 18.082 19.000 -0.303 0.000 0.810 358 A HN 0.341 nan 8.150 nan 0.000 0.446 359 F N 0.017 119.981 119.950 0.024 0.000 2.259 359 F HA -0.034 4.496 4.527 0.005 0.000 0.298 359 F C 1.959 177.811 175.800 0.087 0.000 1.088 359 F CA 0.763 58.795 58.000 0.054 0.000 1.358 359 F CB -1.093 37.947 39.000 0.067 0.000 1.040 359 F HN 0.381 nan 8.300 nan 0.000 0.505 360 D N 0.626 121.206 120.400 0.299 0.000 2.097 360 D HA -0.150 4.492 4.640 0.004 0.000 0.197 360 D C 2.130 178.584 176.300 0.257 0.000 0.984 360 D CA 1.567 55.760 54.000 0.321 0.000 0.826 360 D CB -0.042 41.092 40.800 0.558 0.000 0.973 360 D HN 0.351 nan 8.370 nan 0.000 0.460 361 I N -3.575 117.121 120.570 0.210 0.000 3.035 361 I HA 0.361 4.534 4.170 0.004 0.000 0.271 361 I C 0.926 177.089 176.117 0.077 0.000 1.190 361 I CA 0.433 61.823 61.300 0.151 0.000 1.472 361 I CB -0.065 38.007 38.000 0.120 0.000 1.116 361 I HN 0.124 nan 8.210 nan 0.000 0.443 362 G N 0.892 109.727 108.800 0.058 0.000 2.663 362 G HA2 -0.021 3.942 3.960 0.004 0.000 0.686 362 G HA3 -0.021 3.942 3.960 0.004 0.000 0.686 362 G C 0.323 175.158 174.900 -0.108 0.000 1.246 362 G CA -0.273 44.839 45.100 0.020 0.000 0.795 362 G HN 0.547 nan 8.290 nan 0.000 0.627 363 A N 0.139 122.822 122.820 -0.229 0.000 1.929 363 A HA 0.151 4.473 4.320 0.004 0.000 0.216 363 A C 2.026 179.167 177.584 -0.738 0.000 1.176 363 A CA 2.212 53.869 52.037 -0.634 0.000 0.628 363 A CB -0.495 17.775 19.000 -1.217 0.000 0.816 363 A HN 1.125 nan 8.150 nan 0.000 0.444 364 E N 0.486 120.381 120.200 -0.509 0.000 2.108 364 E HA -0.278 4.075 4.350 0.004 0.000 0.203 364 E C 2.241 178.793 176.600 -0.080 0.000 1.022 364 E CA 2.209 58.485 56.400 -0.208 0.000 0.823 364 E CB -0.121 29.608 29.700 0.048 0.000 0.744 364 E HN 0.791 nan 8.360 nan 0.000 0.456 365 S N -0.083 115.570 115.700 -0.078 0.000 2.368 365 S HA -0.115 4.358 4.470 0.004 0.000 0.224 365 S C 2.074 176.635 174.600 -0.064 0.000 1.029 365 S CA 1.007 59.185 58.200 -0.036 0.000 0.988 365 S CB -0.419 62.770 63.200 -0.019 0.000 0.838 365 S HN 0.294 nan 8.310 nan 0.000 0.462 366 I N 0.431 120.925 120.570 -0.127 0.000 2.252 366 I HA -0.126 4.047 4.170 0.004 0.000 0.245 366 I C 2.568 178.620 176.117 -0.108 0.000 1.102 366 I CA 1.759 62.985 61.300 -0.124 0.000 1.385 366 I CB -0.507 37.393 38.000 -0.167 0.000 1.064 366 I HN 0.339 nan 8.210 nan 0.000 0.414 367 Y N 1.103 121.242 120.300 -0.269 0.000 2.165 367 Y HA -0.325 4.228 4.550 0.004 0.000 0.286 367 Y C 2.859 178.707 175.900 -0.088 0.000 1.155 367 Y CA 1.998 59.998 58.100 -0.165 0.000 1.164 367 Y CB -0.352 38.016 38.460 -0.152 0.000 0.978 367 Y HN 0.030 nan 8.280 nan 0.000 0.513 368 S N -0.721 114.973 115.700 -0.010 0.000 2.359 368 S HA -0.192 4.281 4.470 0.004 0.000 0.224 368 S C 1.996 176.484 174.600 -0.187 0.000 1.035 368 S CA 1.622 59.783 58.200 -0.066 0.000 1.018 368 S CB -0.779 62.447 63.200 0.043 0.000 0.876 368 S HN 0.357 nan 8.310 nan 0.000 0.448 369 V N 1.874 121.698 119.914 -0.150 0.000 2.427 369 V HA -0.159 3.964 4.120 0.004 0.000 0.248 369 V C 2.344 178.273 176.094 -0.275 0.000 1.051 369 V CA 1.920 64.129 62.300 -0.152 0.000 1.048 369 V CB -0.591 31.196 31.823 -0.060 0.000 0.666 369 V HN 0.517 nan 8.190 nan 0.000 0.456 370 M N -0.804 118.600 119.600 -0.327 0.000 2.175 370 M HA -0.180 4.302 4.480 0.004 0.000 0.264 370 M C 2.376 178.408 176.300 -0.448 0.000 1.063 370 M CA 1.614 56.658 55.300 -0.427 0.000 1.119 370 M CB -0.466 31.936 32.600 -0.329 0.000 1.377 370 M HN 0.325 nan 8.290 nan 0.000 0.415 371 Q N 0.856 120.338 119.800 -0.530 0.000 2.079 371 Q HA -0.188 4.154 4.340 0.004 0.000 0.200 371 Q C 1.729 177.551 176.000 -0.296 0.000 0.974 371 Q CA 1.637 57.158 55.803 -0.471 0.000 0.840 371 Q CB -0.065 28.282 28.738 -0.653 0.000 0.898 371 Q HN 0.605 nan 8.270 nan 0.000 0.430 372 Q N -0.101 119.540 119.800 -0.265 0.000 2.230 372 Q HA -0.080 4.263 4.340 0.004 0.000 0.202 372 Q C 1.957 177.822 176.000 -0.226 0.000 0.963 372 Q CA 1.377 57.064 55.803 -0.193 0.000 0.866 372 Q CB 0.144 28.793 28.738 -0.147 0.000 0.931 372 Q HN 0.388 nan 8.270 nan 0.000 0.452 373 V N -4.126 115.599 119.914 -0.315 0.000 3.623 373 V HA 0.369 4.492 4.120 0.004 0.000 0.271 373 V C 1.110 176.980 176.094 -0.374 0.000 1.248 373 V CA 0.868 62.933 62.300 -0.392 0.000 1.156 373 V CB -0.101 31.380 31.823 -0.569 0.000 0.870 373 V HN 0.378 nan 8.190 nan 0.000 0.453 374 G N 0.315 108.955 108.800 -0.268 0.000 2.179 374 G HA2 -0.189 3.773 3.960 0.004 0.000 0.220 374 G HA3 -0.189 3.773 3.960 0.004 0.000 0.220 374 G C -0.112 174.702 174.900 -0.144 0.000 0.990 374 G CA -0.023 44.992 45.100 -0.142 0.000 0.646 374 G HN 0.527 nan 8.290 nan 0.000 0.517 375 L N 0.886 121.970 121.223 -0.232 0.000 2.418 375 L HA 0.471 4.814 4.340 0.004 0.000 0.274 375 L C 1.706 178.476 176.870 -0.167 0.000 1.135 375 L CA 1.007 55.720 54.840 -0.211 0.000 0.870 375 L CB 0.763 42.655 42.059 -0.279 0.000 1.154 375 L HN 1.003 nan 8.230 nan 0.000 0.462 376 G N 1.808 110.531 108.800 -0.129 0.000 2.143 376 G HA2 -0.197 3.765 3.960 0.004 0.000 0.248 376 G HA3 -0.197 3.765 3.960 0.004 0.000 0.248 376 G C 0.071 174.928 174.900 -0.071 0.000 0.991 376 G CA -0.308 44.734 45.100 -0.095 0.000 0.689 376 G HN 0.521 nan 8.290 nan 0.000 0.522 377 Q N -0.076 119.680 119.800 -0.072 0.000 2.399 377 Q HA 0.478 4.820 4.340 0.004 0.000 0.276 377 Q C -0.533 175.446 176.000 -0.036 0.000 1.098 377 Q CA -0.968 54.803 55.803 -0.053 0.000 0.827 377 Q CB 1.477 30.176 28.738 -0.065 0.000 1.386 377 Q HN 0.282 nan 8.270 nan 0.000 0.443 378 D N 0.296 120.680 120.400 -0.026 0.000 2.493 378 D HA -0.038 4.605 4.640 0.004 0.000 0.240 378 D C 0.763 177.051 176.300 -0.019 0.000 1.142 378 D CA 0.742 54.729 54.000 -0.021 0.000 0.872 378 D CB 0.925 41.715 40.800 -0.017 0.000 1.173 378 D HN 0.466 nan 8.370 nan 0.000 0.467 379 T N 2.055 116.593 114.554 -0.027 0.000 2.978 379 T HA 0.176 4.528 4.350 0.004 0.000 0.262 379 T C 1.406 176.074 174.700 -0.053 0.000 1.063 379 T CA 1.510 63.584 62.100 -0.044 0.000 1.140 379 T CB -0.450 68.377 68.868 -0.069 0.000 0.886 379 T HN 0.755 nan 8.240 nan 0.000 0.470 380 G N 0.453 109.234 108.800 -0.032 0.000 2.284 380 G HA2 -0.233 3.730 3.960 0.004 0.000 0.230 380 G HA3 -0.233 3.730 3.960 0.004 0.000 0.230 380 G C 1.009 175.900 174.900 -0.015 0.000 1.021 380 G CA 0.384 45.468 45.100 -0.027 0.000 0.619 380 G HN 0.507 nan 8.290 nan 0.000 0.510 381 L N 1.287 122.504 121.223 -0.008 0.000 2.189 381 L HA 0.224 4.566 4.340 0.004 0.000 0.214 381 L C 2.173 179.124 176.870 0.136 0.000 1.097 381 L CA 1.351 56.227 54.840 0.060 0.000 0.764 381 L CB -0.578 41.487 42.059 0.009 0.000 0.900 381 L HN 1.423 nan 8.230 nan 0.000 0.436 382 G N -0.362 108.495 108.800 0.095 0.000 2.326 382 G HA2 -0.289 3.673 3.960 0.004 0.000 0.286 382 G HA3 -0.289 3.673 3.960 0.004 0.000 0.286 382 G C -0.194 174.765 174.900 0.100 0.000 1.096 382 G CA -0.371 44.754 45.100 0.042 0.000 1.003 382 G HN 0.071 nan 8.290 nan 0.000 0.503 383 F N 0.928 120.843 119.950 -0.059 0.000 2.403 383 F HA 0.614 5.144 4.527 0.005 0.000 0.326 383 F C -1.240 174.536 175.800 -0.040 0.000 1.081 383 F CA -2.349 55.628 58.000 -0.040 0.000 1.041 383 F CB 1.425 40.416 39.000 -0.015 0.000 1.234 383 F HN 0.042 nan 8.300 nan 0.000 0.503 384 P HA 0.181 nan 4.420 nan 0.000 0.276 384 P C 0.252 177.585 177.300 0.056 0.000 1.243 384 P CA 0.107 63.200 63.100 -0.012 0.000 0.768 384 P CB 0.700 32.346 31.700 -0.089 0.000 0.856 385 G N 2.132 110.952 108.800 0.033 0.000 2.269 385 G HA2 -0.303 3.660 3.960 0.004 0.000 0.277 385 G HA3 -0.303 3.660 3.960 0.004 0.000 0.277 385 G C 0.212 175.144 174.900 0.054 0.000 1.008 385 G CA 0.194 45.315 45.100 0.034 0.000 0.774 385 G HN 0.754 nan 8.290 nan 0.000 0.511 386 E N 0.063 120.310 120.200 0.080 0.000 2.324 386 E HA 0.337 4.690 4.350 0.004 0.000 0.271 386 E C 0.746 177.361 176.600 0.026 0.000 1.028 386 E CA -0.724 55.716 56.400 0.067 0.000 0.890 386 E CB 0.353 30.107 29.700 0.089 0.000 1.004 386 E HN 0.238 nan 8.360 nan 0.000 0.431 387 R N 2.497 123.005 120.500 0.013 0.000 2.543 387 R HA 0.082 4.425 4.340 0.004 0.000 0.277 387 R C 0.675 176.965 176.300 -0.017 0.000 1.074 387 R CA -0.055 56.045 56.100 -0.001 0.000 1.076 387 R CB 1.036 31.337 30.300 0.002 0.000 0.993 387 R HN 0.397 nan 8.270 nan 0.000 0.459 388 V N 1.238 121.138 119.914 -0.024 0.000 3.085 388 V HA 0.288 4.410 4.120 0.004 0.000 0.245 388 V C 1.159 177.221 176.094 -0.053 0.000 1.114 388 V CA 1.459 63.737 62.300 -0.035 0.000 1.108 388 V CB -0.440 31.366 31.823 -0.028 0.000 0.798 388 V HN 1.087 nan 8.190 nan 0.000 0.471 389 G N 0.711 109.479 108.800 -0.053 0.000 2.508 389 G HA2 -0.217 3.746 3.960 0.004 0.000 0.220 389 G HA3 -0.217 3.746 3.960 0.004 0.000 0.220 389 G C -0.363 174.502 174.900 -0.059 0.000 1.287 389 G CA 0.088 45.146 45.100 -0.071 0.000 0.916 389 G HN 0.574 nan 8.290 nan 0.000 0.574 390 N N -1.064 117.597 118.700 -0.065 0.000 2.616 390 N HA 0.408 5.151 4.740 0.004 0.000 0.281 390 N C -1.584 173.908 175.510 -0.030 0.000 1.145 390 N CA -0.699 52.325 53.050 -0.044 0.000 0.919 390 N CB 1.230 39.692 38.487 -0.042 0.000 1.509 390 N HN 0.805 nan 8.380 nan 0.000 0.537 391 L N 5.531 126.754 121.223 0.000 0.000 2.321 391 L HA 0.626 4.968 4.340 0.004 0.000 0.272 391 L C -2.459 174.500 176.870 0.149 0.000 1.050 391 L CA -1.776 53.107 54.840 0.071 0.000 0.893 391 L CB 0.427 42.504 42.059 0.030 0.000 1.272 391 L HN 0.414 nan 8.230 nan 0.000 0.435 392 P HA 0.108 nan 4.420 nan 0.000 0.266 392 P C -0.857 176.414 177.300 -0.049 0.000 1.195 392 P CA 0.134 63.177 63.100 -0.095 0.000 0.768 392 P CB 0.435 31.961 31.700 -0.290 0.000 0.838 393 N N 1.703 120.244 118.700 -0.265 0.000 2.936 393 N HA 0.051 4.794 4.740 0.004 0.000 0.243 393 N C 0.687 175.756 175.510 -0.734 0.000 1.149 393 N CA -0.177 52.569 53.050 -0.507 0.000 0.914 393 N CB -0.330 37.918 38.487 -0.398 0.000 1.179 393 N HN 0.327 nan 8.380 nan 0.000 0.502 394 H N 2.022 120.401 119.070 -1.151 0.000 2.543 394 H HA -0.043 4.515 4.556 0.004 0.000 0.286 394 H C 0.867 175.553 175.328 -1.070 0.000 1.037 394 H CA 0.769 56.066 56.048 -1.251 0.000 1.250 394 H CB 0.607 29.324 29.762 -1.741 0.000 1.373 394 H HN 0.452 nan 8.280 nan 0.000 0.580 395 R N -0.952 118.961 120.500 -0.978 0.000 1.242 395 R HA -0.162 4.181 4.340 0.004 0.000 0.031 395 R C -0.047 176.212 176.300 -0.069 0.000 0.958 395 R CA 1.980 57.884 56.100 -0.328 0.000 1.982 395 R CB -0.760 29.418 30.300 -0.204 0.000 0.179 395 R HN 0.069 nan 8.270 nan 0.000 0.729 396 K N 0.099 120.409 120.400 -0.150 0.000 2.483 396 K HA 0.251 4.574 4.320 0.004 0.000 0.256 396 K C -0.874 175.738 176.600 0.021 0.000 0.961 396 K CA -0.233 56.103 56.287 0.081 0.000 0.873 396 K CB 0.949 33.473 32.500 0.041 0.000 1.107 396 K HN 0.146 nan 8.250 nan 0.000 0.432 397 W N 3.773 125.061 121.300 -0.020 0.000 2.316 397 W HA 0.222 4.884 4.660 0.003 0.000 0.321 397 W C -1.816 174.662 176.519 -0.068 0.000 1.203 397 W CA -1.238 56.068 57.345 -0.065 0.000 1.214 397 W CB 0.874 30.322 29.460 -0.019 0.000 1.169 397 W HN 0.311 nan 8.180 nan 0.000 0.561 398 P HA 0.143 nan 4.420 nan 0.000 0.277 398 P C 0.942 178.292 177.300 0.083 0.000 1.276 398 P CA -0.174 62.943 63.100 0.028 0.000 0.788 398 P CB 1.108 32.772 31.700 -0.059 0.000 1.114 399 K N -0.062 120.352 120.400 0.024 0.000 1.991 399 K HA -0.180 4.143 4.320 0.004 0.000 0.212 399 K C 1.943 178.643 176.600 0.167 0.000 1.049 399 K CA 2.011 58.315 56.287 0.028 0.000 0.932 399 K CB -0.839 31.576 32.500 -0.141 0.000 0.717 399 K HN 0.442 nan 8.250 nan 0.000 0.441 400 A N 1.294 124.150 122.820 0.061 0.000 1.877 400 A HA -0.214 4.109 4.320 0.004 0.000 0.216 400 A C 1.942 179.549 177.584 0.038 0.000 1.186 400 A CA 1.869 53.920 52.037 0.024 0.000 0.620 400 A CB -0.499 18.389 19.000 -0.187 0.000 0.822 400 A HN 0.293 nan 8.150 nan 0.000 0.443 401 E N -0.517 119.701 120.200 0.031 0.000 2.077 401 E HA -0.097 4.256 4.350 0.004 0.000 0.193 401 E C 2.124 178.851 176.600 0.213 0.000 0.989 401 E CA 1.711 58.173 56.400 0.102 0.000 0.800 401 E CB -0.572 29.134 29.700 0.010 0.000 0.746 401 E HN 0.597 nan 8.360 nan 0.000 0.452 402 T N 0.453 115.142 114.554 0.226 0.000 2.684 402 T HA -0.231 4.121 4.350 0.004 0.000 0.267 402 T C 1.906 176.629 174.700 0.040 0.000 1.036 402 T CA 1.510 63.677 62.100 0.112 0.000 1.148 402 T CB -0.410 68.590 68.868 0.221 0.000 0.863 402 T HN 0.306 nan 8.240 nan 0.000 0.436 403 A N 0.779 123.680 122.820 0.136 0.000 1.855 403 A HA -0.102 4.221 4.320 0.004 0.000 0.215 403 A C 2.545 180.045 177.584 -0.141 0.000 1.191 403 A CA 2.203 54.290 52.037 0.083 0.000 0.613 403 A CB -1.411 17.775 19.000 0.310 0.000 0.829 403 A HN 0.446 nan 8.150 nan 0.000 0.442 404 T N -0.503 113.938 114.554 -0.188 0.000 2.699 404 T HA -0.165 4.188 4.350 0.004 0.000 0.268 404 T C 1.788 176.227 174.700 -0.434 0.000 1.036 404 T CA 1.802 63.600 62.100 -0.503 0.000 1.147 404 T CB -0.404 68.430 68.868 -0.057 0.000 0.862 404 T HN 0.309 nan 8.240 nan 0.000 0.446 405 L N 0.938 122.071 121.223 -0.151 0.000 2.156 405 L HA 0.285 4.628 4.340 0.004 0.000 0.208 405 L C 2.537 179.333 176.870 -0.122 0.000 1.095 405 L CA 1.889 56.688 54.840 -0.068 0.000 0.770 405 L CB -1.087 40.986 42.059 0.022 0.000 0.914 405 L HN 0.238 nan 8.230 nan 0.000 0.439 406 A N -0.298 122.428 122.820 -0.157 0.000 1.898 406 A HA -0.215 4.107 4.320 0.004 0.000 0.216 406 A C 1.860 179.441 177.584 -0.005 0.000 1.181 406 A CA 1.759 53.739 52.037 -0.095 0.000 0.620 406 A CB -1.064 17.874 19.000 -0.103 0.000 0.819 406 A HN 0.732 nan 8.150 nan 0.000 0.442 407 Y N -2.540 117.773 120.300 0.022 0.000 2.532 407 Y HA 0.487 5.038 4.550 0.002 0.000 0.283 407 Y C 1.094 177.065 175.900 0.117 0.000 1.181 407 Y CA -0.231 57.900 58.100 0.052 0.000 1.256 407 Y CB -0.617 37.869 38.460 0.043 0.000 1.112 407 Y HN 0.413 nan 8.280 nan 0.000 0.521 408 G N 0.296 109.094 108.800 -0.003 0.000 2.159 408 G HA2 -0.430 3.532 3.960 0.004 0.000 0.256 408 G HA3 -0.430 3.532 3.960 0.004 0.000 0.256 408 G C 0.517 175.470 174.900 0.089 0.000 0.977 408 G CA 0.509 45.648 45.100 0.066 0.000 0.652 408 G HN 0.611 nan 8.290 nan 0.000 0.531 409 Y N 1.047 121.285 120.300 -0.104 0.000 2.395 409 Y HA 0.298 4.849 4.550 0.002 0.000 0.293 409 Y C 2.375 178.263 175.900 -0.021 0.000 1.123 409 Y CA 1.878 59.971 58.100 -0.013 0.000 1.227 409 Y CB -0.001 38.472 38.460 0.022 0.000 1.012 409 Y HN 0.196 nan 8.280 nan 0.000 0.552 410 G N 0.920 109.747 108.800 0.044 0.000 3.026 410 G HA2 0.179 4.142 3.960 0.004 0.000 0.208 410 G HA3 0.179 4.142 3.960 0.004 0.000 0.208 410 G C 0.044 174.967 174.900 0.037 0.000 1.169 410 G CA 0.445 45.588 45.100 0.072 0.000 0.788 410 G HN 0.391 nan 8.290 nan 0.000 0.533 411 L N -2.955 118.250 121.223 -0.031 0.000 2.397 411 L HA 0.933 5.276 4.340 0.004 0.000 0.251 411 L C -0.908 175.897 176.870 -0.109 0.000 1.064 411 L CA -1.124 53.688 54.840 -0.047 0.000 0.859 411 L CB 2.191 44.227 42.059 -0.037 0.000 1.468 411 L HN -0.090 nan 8.230 nan 0.000 0.411 412 S N 0.442 116.066 115.700 -0.126 0.000 2.575 412 S HA 0.853 5.326 4.470 0.004 0.000 0.278 412 S C -0.634 173.824 174.600 -0.237 0.000 1.139 412 S CA -0.227 57.864 58.200 -0.181 0.000 0.954 412 S CB 1.456 64.581 63.200 -0.126 0.000 1.054 412 S HN 1.391 nan 8.310 nan 0.000 0.483 413 V N -0.816 118.842 119.914 -0.426 0.000 3.167 413 V HA 0.964 5.087 4.120 0.004 0.000 0.310 413 V C -0.143 175.602 176.094 -0.581 0.000 1.207 413 V CA -0.438 61.598 62.300 -0.440 0.000 1.059 413 V CB 1.301 32.869 31.823 -0.425 0.000 1.079 413 V HN 1.239 nan 8.190 nan 0.000 0.446 414 T N -1.381 112.997 114.554 -0.294 0.000 2.948 414 T HA 0.767 5.120 4.350 0.004 0.000 0.285 414 T C 1.151 175.892 174.700 0.069 0.000 1.019 414 T CA -0.025 62.038 62.100 -0.062 0.000 1.013 414 T CB 1.576 70.446 68.868 0.004 0.000 1.117 414 T HN 1.745 nan 8.240 nan 0.000 0.533 415 A N 0.907 123.911 122.820 0.307 0.000 1.933 415 A HA 0.055 4.378 4.320 0.004 0.000 0.218 415 A C 2.267 179.931 177.584 0.132 0.000 1.175 415 A CA 0.856 53.058 52.037 0.274 0.000 0.628 415 A CB -0.924 18.198 19.000 0.204 0.000 0.814 415 A HN 0.803 nan 8.150 nan 0.000 0.444 416 I N -0.059 120.551 120.570 0.068 0.000 2.179 416 I HA -0.255 3.918 4.170 0.004 0.000 0.242 416 I C 2.617 178.765 176.117 0.053 0.000 1.088 416 I CA 1.623 62.939 61.300 0.026 0.000 1.357 416 I CB -1.265 36.708 38.000 -0.046 0.000 1.051 416 I HN 0.503 nan 8.210 nan 0.000 0.409 417 Q N -0.165 119.653 119.800 0.030 0.000 2.020 417 Q HA -0.247 4.095 4.340 0.004 0.000 0.202 417 Q C 2.233 178.274 176.000 0.068 0.000 0.982 417 Q CA 1.361 57.184 55.803 0.034 0.000 0.838 417 Q CB -0.310 28.401 28.738 -0.045 0.000 0.899 417 Q HN 0.284 nan 8.270 nan 0.000 0.423 418 L N 0.734 122.000 121.223 0.072 0.000 2.079 418 L HA -0.200 4.142 4.340 0.004 0.000 0.210 418 L C 2.132 179.155 176.870 0.256 0.000 1.081 418 L CA 2.094 57.034 54.840 0.167 0.000 0.752 418 L CB -0.821 41.343 42.059 0.176 0.000 0.896 418 L HN 0.173 nan 8.230 nan 0.000 0.433 419 A N -1.758 121.176 122.820 0.189 0.000 1.855 419 A HA -0.283 4.040 4.320 0.004 0.000 0.215 419 A C 2.384 180.120 177.584 0.253 0.000 1.191 419 A CA 1.686 53.843 52.037 0.200 0.000 0.613 419 A CB -1.143 17.940 19.000 0.138 0.000 0.829 419 A HN 0.690 nan 8.150 nan 0.000 0.442 420 H N -0.380 118.738 119.070 0.081 0.000 2.353 420 H HA -0.168 4.390 4.556 0.004 0.000 0.298 420 H C 2.297 177.653 175.328 0.046 0.000 1.103 420 H CA 1.268 57.339 56.048 0.039 0.000 1.293 420 H CB 0.017 29.773 29.762 -0.011 0.000 1.372 420 H HN 0.471 nan 8.280 nan 0.000 0.501 421 A N 0.330 123.171 122.820 0.035 0.000 1.877 421 A HA -0.206 4.117 4.320 0.004 0.000 0.216 421 A C 2.119 179.814 177.584 0.186 0.000 1.186 421 A CA 1.446 53.447 52.037 -0.060 0.000 0.620 421 A CB -1.189 17.696 19.000 -0.192 0.000 0.822 421 A HN 0.573 nan 8.150 nan 0.000 0.443 422 Y N -0.199 120.223 120.300 0.203 0.000 2.352 422 Y HA -0.046 4.509 4.550 0.008 0.000 0.292 422 Y C 2.824 178.672 175.900 -0.087 0.000 1.136 422 Y CA 0.686 58.856 58.100 0.117 0.000 1.227 422 Y CB -0.180 38.404 38.460 0.207 0.000 0.991 422 Y HN 0.368 nan 8.280 nan 0.000 0.545 423 A N 0.234 123.125 122.820 0.119 0.000 1.883 423 A HA -0.217 4.106 4.320 0.004 0.000 0.217 423 A C 2.432 179.960 177.584 -0.093 0.000 1.186 423 A CA 1.869 53.920 52.037 0.024 0.000 0.624 423 A CB -1.248 17.821 19.000 0.115 0.000 0.822 423 A HN 0.413 nan 8.150 nan 0.000 0.444 424 A N -0.673 122.078 122.820 -0.115 0.000 1.908 424 A HA -0.073 4.250 4.320 0.004 0.000 0.218 424 A C 2.157 179.637 177.584 -0.173 0.000 1.181 424 A CA 1.811 53.761 52.037 -0.145 0.000 0.627 424 A CB -0.623 18.269 19.000 -0.180 0.000 0.818 424 A HN 0.687 nan 8.150 nan 0.000 0.445 425 L N -0.475 120.613 121.223 -0.226 0.000 2.093 425 L HA -0.003 4.340 4.340 0.004 0.000 0.208 425 L C 2.631 179.190 176.870 -0.519 0.000 1.085 425 L CA 2.046 56.686 54.840 -0.334 0.000 0.755 425 L CB -0.587 41.212 42.059 -0.434 0.000 0.904 425 L HN 0.327 nan 8.230 nan 0.000 0.435 426 A N -0.820 121.523 122.820 -0.796 0.000 2.014 426 A HA -0.164 4.159 4.320 0.004 0.000 0.218 426 A C 1.755 179.184 177.584 -0.258 0.000 1.163 426 A CA 1.313 52.904 52.037 -0.744 0.000 0.652 426 A CB -0.756 17.804 19.000 -0.734 0.000 0.808 426 A HN 0.540 nan 8.150 nan 0.000 0.449 427 N N 0.855 119.440 118.700 -0.192 0.000 2.623 427 N HA 0.123 4.866 4.740 0.004 0.000 0.263 427 N C -0.898 174.565 175.510 -0.078 0.000 1.218 427 N CA 0.108 53.102 53.050 -0.092 0.000 0.949 427 N CB -0.550 37.898 38.487 -0.064 0.000 1.270 427 N HN 0.213 nan 8.380 nan 0.000 0.507 428 D N -0.148 120.200 120.400 -0.086 0.000 2.737 428 D HA -0.195 4.448 4.640 0.004 0.000 0.233 428 D C 0.993 177.256 176.300 -0.062 0.000 1.155 428 D CA 1.483 55.446 54.000 -0.061 0.000 0.667 428 D CB -1.485 39.296 40.800 -0.031 0.000 1.060 428 D HN 0.581 nan 8.370 nan 0.000 0.427 429 G N -0.665 108.084 108.800 -0.085 0.000 2.143 429 G HA2 -0.374 3.589 3.960 0.004 0.000 0.249 429 G HA3 -0.374 3.589 3.960 0.004 0.000 0.249 429 G C 0.248 175.106 174.900 -0.069 0.000 0.981 429 G CA 0.462 45.518 45.100 -0.074 0.000 0.665 429 G HN 0.578 nan 8.290 nan 0.000 0.528 430 K N 0.968 121.328 120.400 -0.066 0.000 2.293 430 K HA 0.530 4.853 4.320 0.004 0.000 0.267 430 K C -0.074 176.489 176.600 -0.062 0.000 1.010 430 K CA -0.195 56.060 56.287 -0.054 0.000 0.875 430 K CB 1.013 33.493 32.500 -0.033 0.000 1.106 430 K HN 0.119 nan 8.250 nan 0.000 0.450 431 S N 3.569 119.223 115.700 -0.077 0.000 2.448 431 S HA 0.208 4.681 4.470 0.004 0.000 0.279 431 S C -0.367 174.240 174.600 0.011 0.000 1.195 431 S CA -0.666 57.481 58.200 -0.087 0.000 1.051 431 S CB 0.372 63.468 63.200 -0.173 0.000 0.948 431 S HN 0.346 nan 8.310 nan 0.000 0.493 432 V N 8.479 128.435 119.914 0.071 0.000 2.439 432 V HA 0.384 4.507 4.120 0.004 0.000 0.282 432 V C -2.029 174.167 176.094 0.169 0.000 1.039 432 V CA -2.049 60.304 62.300 0.088 0.000 0.913 432 V CB 1.045 32.902 31.823 0.057 0.000 0.983 432 V HN 0.731 nan 8.190 nan 0.000 0.460 433 P HA 0.025 nan 4.420 nan 0.000 0.264 433 P C -0.102 177.161 177.300 -0.061 0.000 1.179 433 P CA 0.185 63.310 63.100 0.042 0.000 0.763 433 P CB 0.366 32.074 31.700 0.014 0.000 0.806 434 L N 1.803 122.877 121.223 -0.248 0.000 2.467 434 L HA 0.228 4.570 4.340 0.004 0.000 0.270 434 L C 0.925 177.723 176.870 -0.120 0.000 1.205 434 L CA 0.803 55.475 54.840 -0.279 0.000 0.828 434 L CB 0.291 42.104 42.059 -0.410 0.000 1.101 434 L HN 0.388 nan 8.230 nan 0.000 0.479 435 S N 1.868 117.518 115.700 -0.083 0.000 2.572 435 S HA 0.377 4.850 4.470 0.004 0.000 0.274 435 S C 0.338 174.926 174.600 -0.019 0.000 1.150 435 S CA -0.682 57.502 58.200 -0.027 0.000 0.944 435 S CB 1.383 64.573 63.200 -0.018 0.000 1.071 435 S HN 0.583 nan 8.310 nan 0.000 0.479 436 M N 2.552 122.172 119.600 0.034 0.000 2.510 436 M HA 0.100 4.583 4.480 0.004 0.000 0.256 436 M C 1.000 177.295 176.300 -0.008 0.000 1.132 436 M CA 0.615 55.940 55.300 0.042 0.000 1.105 436 M CB -0.500 32.196 32.600 0.159 0.000 1.375 436 M HN 0.831 nan 8.290 nan 0.000 0.477 437 T N -1.277 113.247 114.554 -0.050 0.000 2.927 437 T HA 0.432 4.785 4.350 0.004 0.000 0.281 437 T C 0.188 174.826 174.700 -0.103 0.000 0.998 437 T CA -0.867 61.131 62.100 -0.170 0.000 1.019 437 T CB 1.939 70.608 68.868 -0.331 0.000 1.061 437 T HN 0.197 nan 8.240 nan 0.000 0.518 438 R N 0.523 120.957 120.500 -0.110 0.000 2.570 438 R HA 0.354 4.697 4.340 0.004 0.000 0.277 438 R C -1.007 175.262 176.300 -0.051 0.000 1.039 438 R CA -0.252 55.810 56.100 -0.063 0.000 1.065 438 R CB 0.084 30.354 30.300 -0.050 0.000 0.964 438 R HN 0.554 nan 8.270 nan 0.000 0.428 439 V N 5.900 125.797 119.914 -0.028 0.000 2.257 439 V HA 0.079 4.201 4.120 0.004 0.000 0.269 439 V C 0.175 176.266 176.094 -0.005 0.000 1.040 439 V CA -0.414 61.877 62.300 -0.016 0.000 0.813 439 V CB 1.108 32.925 31.823 -0.009 0.000 1.065 439 V HN 0.876 nan 8.190 nan 0.000 0.457 440 D N 3.010 123.409 120.400 -0.002 0.000 2.137 440 D HA 0.012 4.654 4.640 0.004 0.000 0.202 440 D C 0.954 177.260 176.300 0.010 0.000 0.970 440 D CA 0.974 54.978 54.000 0.007 0.000 0.837 440 D CB 0.400 41.207 40.800 0.012 0.000 0.981 440 D HN 0.426 nan 8.370 nan 0.000 0.475 441 R N 1.067 121.574 120.500 0.011 0.000 2.239 441 R HA 0.381 4.724 4.340 0.004 0.000 0.332 441 R C -0.698 175.609 176.300 0.011 0.000 0.988 441 R CA -0.396 55.712 56.100 0.013 0.000 0.859 441 R CB 1.989 32.299 30.300 0.017 0.000 1.148 441 R HN -0.173 nan 8.270 nan 0.000 0.482 442 V N 5.594 125.515 119.914 0.011 0.000 2.508 442 V HA 0.150 4.273 4.120 0.004 0.000 0.281 442 V C -1.279 174.822 176.094 0.012 0.000 1.041 442 V CA -1.337 60.970 62.300 0.011 0.000 1.016 442 V CB 0.572 32.402 31.823 0.012 0.000 0.984 442 V HN 0.646 nan 8.190 nan 0.000 0.478 443 P HA 0.278 nan 4.420 nan 0.000 0.278 443 P C -0.767 176.541 177.300 0.013 0.000 1.238 443 P CA -0.609 62.499 63.100 0.012 0.000 0.794 443 P CB 0.709 32.416 31.700 0.012 0.000 0.955 444 D N 0.804 121.211 120.400 0.011 0.000 2.458 444 D HA 0.287 4.929 4.640 0.004 0.000 0.243 444 D C 0.937 177.243 176.300 0.010 0.000 1.146 444 D CA 0.720 54.726 54.000 0.009 0.000 0.877 444 D CB 0.408 41.212 40.800 0.007 0.000 1.176 444 D HN 0.452 nan 8.370 nan 0.000 0.461 445 G N 0.383 109.188 108.800 0.008 0.000 2.434 445 G HA2 0.469 4.431 3.960 0.004 0.000 0.330 445 G HA3 0.469 4.431 3.960 0.004 0.000 0.330 445 G C -0.420 174.478 174.900 -0.003 0.000 1.155 445 G CA -0.600 44.505 45.100 0.007 0.000 0.917 445 G HN 0.329 nan 8.290 nan 0.000 0.493 446 V N 1.125 121.034 119.914 -0.009 0.000 2.461 446 V HA 0.153 4.276 4.120 0.004 0.000 0.275 446 V C 0.392 176.467 176.094 -0.032 0.000 1.047 446 V CA -0.440 61.849 62.300 -0.019 0.000 0.955 446 V CB 1.218 33.027 31.823 -0.024 0.000 0.988 446 V HN 0.748 nan 8.190 nan 0.000 0.471 447 Q N 3.910 123.693 119.800 -0.027 0.000 2.324 447 Q HA 0.192 4.535 4.340 0.004 0.000 0.257 447 Q C 0.502 176.478 176.000 -0.039 0.000 1.080 447 Q CA 0.064 55.848 55.803 -0.032 0.000 0.907 447 Q CB 1.102 29.826 28.738 -0.023 0.000 1.274 447 Q HN 0.761 nan 8.270 nan 0.000 0.434 448 V N 2.006 121.887 119.914 -0.055 0.000 3.431 448 V HA 0.407 4.529 4.120 0.004 0.000 0.253 448 V C 0.610 176.670 176.094 -0.056 0.000 1.184 448 V CA 0.340 62.601 62.300 -0.066 0.000 1.104 448 V CB -0.058 31.704 31.823 -0.101 0.000 0.799 448 V HN 0.569 nan 8.190 nan 0.000 0.462 449 I N 1.257 121.798 120.570 -0.048 0.000 2.769 449 I HA 0.453 4.625 4.170 0.004 0.000 0.298 449 I C 0.109 176.208 176.117 -0.031 0.000 1.128 449 I CA -0.621 60.658 61.300 -0.035 0.000 1.031 449 I CB 2.471 40.452 38.000 -0.032 0.000 1.235 449 I HN 0.207 nan 8.210 nan 0.000 0.423 450 S N 4.681 120.368 115.700 -0.021 0.000 2.568 450 S HA 0.205 4.678 4.470 0.004 0.000 0.282 450 S C -1.956 172.633 174.600 -0.020 0.000 1.338 450 S CA -0.681 57.509 58.200 -0.017 0.000 1.045 450 S CB 0.943 64.138 63.200 -0.008 0.000 0.873 450 S HN 0.394 nan 8.310 nan 0.000 0.516 451 P HA -0.163 nan 4.420 nan 0.000 0.216 451 P C 1.494 178.786 177.300 -0.012 0.000 1.150 451 P CA 1.389 64.479 63.100 -0.017 0.000 0.843 451 P CB -0.005 31.688 31.700 -0.011 0.000 0.787 452 E N -0.692 119.503 120.200 -0.008 0.000 2.112 452 E HA -0.049 4.303 4.350 0.004 0.000 0.190 452 E C 1.980 178.578 176.600 -0.004 0.000 0.979 452 E CA 0.945 57.343 56.400 -0.003 0.000 0.814 452 E CB -1.332 28.368 29.700 0.001 0.000 0.762 452 E HN 0.093 nan 8.360 nan 0.000 0.460 453 V N 2.137 122.046 119.914 -0.007 0.000 2.427 453 V HA -0.192 3.930 4.120 0.004 0.000 0.248 453 V C 2.643 178.722 176.094 -0.025 0.000 1.051 453 V CA 1.783 64.076 62.300 -0.011 0.000 1.048 453 V CB -0.759 31.058 31.823 -0.011 0.000 0.666 453 V HN 0.389 nan 8.190 nan 0.000 0.456 454 A N -0.809 121.992 122.820 -0.032 0.000 1.877 454 A HA -0.204 4.119 4.320 0.004 0.000 0.216 454 A C 2.505 180.072 177.584 -0.029 0.000 1.186 454 A CA 2.183 54.190 52.037 -0.049 0.000 0.620 454 A CB -0.745 18.220 19.000 -0.059 0.000 0.822 454 A HN 0.460 nan 8.150 nan 0.000 0.443 455 S N -0.651 115.042 115.700 -0.012 0.000 2.399 455 S HA -0.112 4.360 4.470 0.004 0.000 0.231 455 S C 2.033 176.641 174.600 0.014 0.000 1.022 455 S CA 1.761 59.966 58.200 0.008 0.000 0.983 455 S CB -0.408 62.796 63.200 0.008 0.000 0.803 455 S HN 0.733 nan 8.310 nan 0.000 0.480 456 T N 1.463 116.019 114.554 0.003 0.000 2.737 456 T HA -0.026 4.327 4.350 0.004 0.000 0.265 456 T C 1.892 176.592 174.700 -0.001 0.000 1.038 456 T CA 1.215 63.317 62.100 0.003 0.000 1.144 456 T CB -0.345 68.524 68.868 0.002 0.000 0.866 456 T HN 0.219 nan 8.240 nan 0.000 0.434 457 V N 1.657 121.560 119.914 -0.017 0.000 2.515 457 V HA -0.177 3.946 4.120 0.004 0.000 0.250 457 V C 2.599 178.705 176.094 0.020 0.000 1.058 457 V CA 1.443 63.721 62.300 -0.036 0.000 1.064 457 V CB -0.752 31.012 31.823 -0.099 0.000 0.675 457 V HN 0.492 nan 8.190 nan 0.000 0.461 458 Q N 0.334 120.181 119.800 0.078 0.000 2.030 458 Q HA -0.178 4.165 4.340 0.004 0.000 0.204 458 Q C 2.442 178.505 176.000 0.104 0.000 0.986 458 Q CA 1.887 57.814 55.803 0.206 0.000 0.843 458 Q CB -0.643 28.225 28.738 0.217 0.000 0.904 458 Q HN 0.702 nan 8.270 nan 0.000 0.420 459 G N 0.619 109.452 108.800 0.054 0.000 2.450 459 G HA2 -0.251 3.712 3.960 0.004 0.000 0.220 459 G HA3 -0.251 3.712 3.960 0.004 0.000 0.220 459 G C 1.377 176.282 174.900 0.009 0.000 1.130 459 G CA 0.850 45.964 45.100 0.023 0.000 0.760 459 G HN 0.190 nan 8.290 nan 0.000 0.557 460 M N -0.199 119.402 119.600 0.002 0.000 2.132 460 M HA 0.112 4.595 4.480 0.004 0.000 0.263 460 M C 2.514 178.799 176.300 -0.026 0.000 1.065 460 M CA 0.998 56.289 55.300 -0.015 0.000 1.122 460 M CB -0.364 32.218 32.600 -0.030 0.000 1.365 460 M HN 0.152 nan 8.290 nan 0.000 0.411 461 L N -0.265 120.940 121.223 -0.031 0.000 2.217 461 L HA -0.162 4.181 4.340 0.004 0.000 0.211 461 L C 2.597 179.418 176.870 -0.083 0.000 1.107 461 L CA 0.958 55.754 54.840 -0.073 0.000 0.783 461 L CB -0.661 41.343 42.059 -0.091 0.000 0.919 461 L HN 0.426 nan 8.230 nan 0.000 0.442 462 Q N -0.227 119.544 119.800 -0.049 0.000 2.167 462 Q HA -0.208 4.135 4.340 0.004 0.000 0.202 462 Q C 2.207 178.219 176.000 0.020 0.000 0.970 462 Q CA 1.129 56.927 55.803 -0.008 0.000 0.855 462 Q CB 0.189 28.940 28.738 0.020 0.000 0.911 462 Q HN 0.462 nan 8.270 nan 0.000 0.438 463 Q N -0.076 119.729 119.800 0.008 0.000 2.049 463 Q HA -0.108 4.234 4.340 0.004 0.000 0.198 463 Q C 2.230 178.238 176.000 0.014 0.000 0.971 463 Q CA 1.272 57.084 55.803 0.015 0.000 0.833 463 Q CB -0.575 28.166 28.738 0.006 0.000 0.896 463 Q HN 0.349 nan 8.270 nan 0.000 0.434 464 V N 0.508 120.419 119.914 -0.004 0.000 2.380 464 V HA -0.207 3.916 4.120 0.004 0.000 0.251 464 V C 2.133 178.240 176.094 0.023 0.000 1.063 464 V CA 1.568 63.867 62.300 -0.003 0.000 1.055 464 V CB -0.215 31.590 31.823 -0.029 0.000 0.657 464 V HN 0.136 nan 8.190 nan 0.000 0.455 465 V N -0.204 119.726 119.914 0.026 0.000 2.446 465 V HA -0.073 4.050 4.120 0.004 0.000 0.244 465 V C 2.239 178.378 176.094 0.076 0.000 1.039 465 V CA 2.134 64.466 62.300 0.053 0.000 1.045 465 V CB -0.467 31.386 31.823 0.051 0.000 0.681 465 V HN 0.628 nan 8.190 nan 0.000 0.459 466 E N -0.227 120.016 120.200 0.072 0.000 2.489 466 E HA 0.353 4.706 4.350 0.004 0.000 0.204 466 E C 0.774 177.413 176.600 0.064 0.000 1.006 466 E CA 0.244 56.693 56.400 0.081 0.000 0.936 466 E CB 0.599 30.362 29.700 0.105 0.000 1.002 466 E HN 0.575 nan 8.360 nan 0.000 0.488 467 A N 1.207 124.058 122.820 0.052 0.000 2.259 467 A HA 0.228 4.551 4.320 0.004 0.000 0.278 467 A C 0.113 177.716 177.584 0.031 0.000 1.107 467 A CA -0.423 51.635 52.037 0.035 0.000 0.828 467 A CB 0.376 19.391 19.000 0.024 0.000 1.111 467 A HN 0.026 nan 8.150 nan 0.000 0.498 468 Q N -0.596 119.212 119.800 0.013 0.000 2.337 468 Q HA 0.381 4.724 4.340 0.004 0.000 0.270 468 Q C 1.040 177.047 176.000 0.012 0.000 1.002 468 Q CA 0.944 56.748 55.803 0.001 0.000 0.888 468 Q CB 0.440 29.172 28.738 -0.010 0.000 1.222 468 Q HN 1.500 nan 8.270 nan 0.000 0.400 469 G N 1.931 110.741 108.800 0.016 0.000 2.258 469 G HA2 -0.266 3.697 3.960 0.004 0.000 0.274 469 G HA3 -0.266 3.697 3.960 0.004 0.000 0.274 469 G C 0.352 175.283 174.900 0.051 0.000 1.021 469 G CA 0.078 45.197 45.100 0.032 0.000 0.798 469 G HN 0.827 nan 8.290 nan 0.000 0.507 470 G N -1.855 106.996 108.800 0.086 0.000 2.557 470 G HA2 0.584 4.547 3.960 0.004 0.000 0.302 470 G HA3 0.584 4.547 3.960 0.004 0.000 0.302 470 G C 0.281 175.247 174.900 0.111 0.000 1.311 470 G CA -0.081 45.064 45.100 0.076 0.000 1.030 470 G HN 0.798 nan 8.290 nan 0.000 0.509 471 V N 1.954 121.897 119.914 0.048 0.000 2.149 471 V HA 0.062 4.184 4.120 0.004 0.000 0.245 471 V C 1.122 177.175 176.094 -0.069 0.000 1.349 471 V CA 0.055 62.331 62.300 -0.040 0.000 1.289 471 V CB -1.471 30.362 31.823 0.016 0.000 1.401 471 V HN 0.617 nan 8.190 nan 0.000 0.501 472 F N 1.972 121.897 119.950 -0.041 0.000 2.325 472 F HA 0.016 4.549 4.527 0.010 0.000 0.299 472 F C 2.050 177.819 175.800 -0.051 0.000 1.090 472 F CA 0.723 58.701 58.000 -0.037 0.000 1.392 472 F CB -0.423 38.558 39.000 -0.031 0.000 1.053 472 F HN 0.180 nan 8.300 nan 0.000 0.521 473 R N 0.936 120.970 120.500 -0.776 0.000 2.152 473 R HA 0.006 4.349 4.340 0.004 0.000 0.232 473 R C 2.264 178.392 176.300 -0.286 0.000 1.117 473 R CA 0.933 56.725 56.100 -0.513 0.000 0.981 473 R CB -0.577 29.358 30.300 -0.607 0.000 0.870 473 R HN 0.464 nan 8.270 nan 0.000 0.451 474 A N 0.835 123.461 122.820 -0.323 0.000 2.235 474 A HA -0.039 4.284 4.320 0.004 0.000 0.208 474 A C 0.502 178.085 177.584 -0.002 0.000 1.172 474 A CA 0.169 52.008 52.037 -0.331 0.000 0.786 474 A CB -0.029 18.560 19.000 -0.685 0.000 0.804 474 A HN 0.288 nan 8.150 nan 0.000 0.479 475 Q N -0.236 119.578 119.800 0.025 0.000 2.364 475 Q HA 0.335 4.678 4.340 0.004 0.000 0.267 475 Q C -0.988 175.073 176.000 0.101 0.000 0.999 475 Q CA 0.063 55.921 55.803 0.091 0.000 0.886 475 Q CB 1.281 30.071 28.738 0.087 0.000 1.243 475 Q HN 0.160 nan 8.270 nan 0.000 0.415 476 V N 5.620 125.609 119.914 0.125 0.000 2.326 476 V HA 0.254 4.377 4.120 0.004 0.000 0.281 476 V C -2.070 174.101 176.094 0.127 0.000 1.015 476 V CA -1.866 60.501 62.300 0.112 0.000 0.823 476 V CB 1.042 32.928 31.823 0.104 0.000 1.009 476 V HN 0.718 nan 8.190 nan 0.000 0.436 477 P HA 0.194 nan 4.420 nan 0.000 0.265 477 P C 0.970 178.285 177.300 0.025 0.000 1.193 477 P CA 1.211 64.333 63.100 0.035 0.000 0.765 477 P CB 1.056 32.768 31.700 0.020 0.000 0.823 478 G N 1.637 110.370 108.800 -0.111 0.000 2.234 478 G HA2 -0.209 3.754 3.960 0.004 0.000 0.235 478 G HA3 -0.209 3.754 3.960 0.004 0.000 0.235 478 G C -0.480 174.071 174.900 -0.582 0.000 0.997 478 G CA -0.239 44.653 45.100 -0.348 0.000 0.623 478 G HN 0.528 nan 8.290 nan 0.000 0.514 479 Y N 0.365 120.626 120.300 -0.065 0.000 2.524 479 Y HA 0.648 5.201 4.550 0.005 0.000 0.347 479 Y C 0.276 176.122 175.900 -0.089 0.000 1.005 479 Y CA -1.203 56.876 58.100 -0.034 0.000 1.025 479 Y CB 1.242 39.714 38.460 0.020 0.000 1.275 479 Y HN 0.117 nan 8.280 nan 0.000 0.460 480 H N 1.700 120.889 119.070 0.198 0.000 2.800 480 H HA 0.557 5.115 4.556 0.004 0.000 0.291 480 H C -0.333 175.079 175.328 0.138 0.000 1.076 480 H CA -0.092 56.036 56.048 0.133 0.000 1.452 480 H CB 0.833 30.653 29.762 0.096 0.000 1.461 480 H HN 0.803 nan 8.280 nan 0.000 0.488 481 A N 2.792 125.735 122.820 0.206 0.000 2.299 481 A HA 0.834 5.157 4.320 0.004 0.000 0.332 481 A C -0.562 177.048 177.584 0.043 0.000 1.131 481 A CA -0.239 51.899 52.037 0.168 0.000 0.844 481 A CB 1.242 20.407 19.000 0.274 0.000 1.251 481 A HN 0.746 nan 8.150 nan 0.000 0.486 482 A N -0.643 122.097 122.820 -0.133 0.000 2.547 482 A HA 0.879 5.202 4.320 0.004 0.000 0.297 482 A C -0.183 177.093 177.584 -0.513 0.000 1.056 482 A CA 0.162 51.989 52.037 -0.349 0.000 0.688 482 A CB 1.263 19.938 19.000 -0.542 0.000 1.282 482 A HN 2.530 nan 8.150 nan 0.000 0.400 483 G N 0.102 108.669 108.800 -0.388 0.000 2.427 483 G HA2 0.596 4.559 3.960 0.004 0.000 0.306 483 G HA3 0.596 4.559 3.960 0.004 0.000 0.306 483 G C -1.806 172.778 174.900 -0.527 0.000 1.280 483 G CA -0.316 44.451 45.100 -0.555 0.000 0.837 483 G HN 1.091 nan 8.290 nan 0.000 0.482 484 K N 0.283 120.150 120.400 -0.888 0.000 2.581 484 K HA 0.629 4.952 4.320 0.004 0.000 0.249 484 K C 0.208 176.414 176.600 -0.658 0.000 0.966 484 K CA -0.044 55.935 56.287 -0.514 0.000 0.811 484 K CB 1.558 33.950 32.500 -0.180 0.000 1.223 484 K HN 1.056 nan 8.250 nan 0.000 0.438 485 S N 1.593 117.160 115.700 -0.221 0.000 2.600 485 S HA 0.807 5.280 4.470 0.004 0.000 0.265 485 S C 0.362 174.975 174.600 0.022 0.000 1.325 485 S CA 0.011 58.243 58.200 0.053 0.000 1.002 485 S CB 1.166 64.477 63.200 0.185 0.000 0.921 485 S HN 0.816 nan 8.310 nan 0.000 0.554 486 G N -0.430 108.426 108.800 0.093 0.000 2.718 486 G HA2 0.585 4.548 3.960 0.004 0.000 0.295 486 G HA3 0.585 4.548 3.960 0.004 0.000 0.295 486 G C -1.508 173.492 174.900 0.167 0.000 1.421 486 G CA -0.767 44.409 45.100 0.127 0.000 0.902 486 G HN 0.805 nan 8.290 nan 0.000 0.501 487 T N 0.428 115.105 114.554 0.205 0.000 3.186 487 T HA 0.631 4.984 4.350 0.004 0.000 0.320 487 T C -0.147 174.710 174.700 0.261 0.000 0.955 487 T CA -0.128 62.107 62.100 0.225 0.000 1.030 487 T CB 1.203 70.228 68.868 0.262 0.000 1.013 487 T HN 1.134 nan 8.240 nan 0.000 0.454 488 A N 3.135 126.108 122.820 0.254 0.000 2.292 488 A HA 0.789 5.112 4.320 0.004 0.000 0.319 488 A C 0.186 177.942 177.584 0.286 0.000 1.206 488 A CA -0.830 51.370 52.037 0.272 0.000 0.835 488 A CB 0.749 19.896 19.000 0.245 0.000 1.164 488 A HN 0.780 nan 8.150 nan 0.000 0.505 489 R N 2.101 122.773 120.500 0.286 0.000 2.308 489 R HA 0.365 4.708 4.340 0.004 0.000 0.305 489 R C -0.707 175.632 176.300 0.065 0.000 1.053 489 R CA -0.266 55.925 56.100 0.151 0.000 0.957 489 R CB 0.526 30.924 30.300 0.162 0.000 1.022 489 R HN 0.687 nan 8.270 nan 0.000 0.461 490 K N 3.032 123.398 120.400 -0.058 0.000 2.201 490 K HA 0.393 4.716 4.320 0.004 0.000 0.278 490 K C -0.839 175.735 176.600 -0.043 0.000 1.027 490 K CA -0.700 55.567 56.287 -0.033 0.000 0.909 490 K CB 1.941 34.404 32.500 -0.063 0.000 1.062 490 K HN 0.262 nan 8.250 nan 0.000 0.465 499 N N 1.806 120.373 118.700 -0.222 0.000 2.442 499 N HA 0.375 5.117 4.740 0.004 0.000 0.265 499 N C -0.326 174.807 175.510 -0.629 0.000 1.138 499 N CA 0.298 53.084 53.050 -0.440 0.000 0.956 499 N CB 1.211 39.422 38.487 -0.461 0.000 1.067 499 N HN 0.111 nan 8.380 nan 0.000 0.474 500 A N 2.584 125.018 122.820 -0.644 0.000 2.340 500 A HA 0.742 5.065 4.320 0.004 0.000 0.331 500 A C -1.296 175.858 177.584 -0.717 0.000 1.140 500 A CA -0.493 51.220 52.037 -0.539 0.000 0.801 500 A CB 0.699 19.544 19.000 -0.258 0.000 1.234 500 A HN 0.575 nan 8.150 nan 0.000 0.469 501 Y N 0.112 120.319 120.300 -0.154 0.000 2.477 501 Y HA 0.551 5.087 4.550 -0.024 0.000 0.347 501 Y C 0.409 176.277 175.900 -0.055 0.000 0.981 501 Y CA -0.651 57.383 58.100 -0.110 0.000 1.033 501 Y CB 1.912 40.266 38.460 -0.177 0.000 1.245 501 Y HN 0.668 nan 8.280 nan 0.000 0.455 502 R N 1.153 121.733 120.500 0.134 0.000 2.265 502 R HA 0.455 4.797 4.340 0.004 0.000 0.319 502 R C -0.519 175.827 176.300 0.075 0.000 1.006 502 R CA -0.555 55.568 56.100 0.038 0.000 0.880 502 R CB 1.582 31.845 30.300 -0.061 0.000 1.077 502 R HN 0.631 nan 8.270 nan 0.000 0.454 503 S N 5.022 120.748 115.700 0.043 0.000 2.422 503 S HA 0.418 4.890 4.470 0.004 0.000 0.298 503 S C -0.300 174.322 174.600 0.038 0.000 1.118 503 S CA -0.657 57.579 58.200 0.061 0.000 1.083 503 S CB 0.242 63.473 63.200 0.052 0.000 0.971 503 S HN 0.412 nan 8.310 nan 0.000 0.478 504 L N 4.365 125.635 121.223 0.077 0.000 2.322 504 L HA 0.777 5.119 4.340 0.004 0.000 0.269 504 L C -0.939 176.029 176.870 0.162 0.000 1.012 504 L CA -1.024 53.865 54.840 0.082 0.000 0.815 504 L CB 1.773 43.888 42.059 0.093 0.000 1.295 504 L HN 0.744 nan 8.230 nan 0.000 0.438 505 F N 1.289 121.209 119.950 -0.050 0.000 2.749 505 F HA 0.620 5.148 4.527 0.001 0.000 0.339 505 F C -0.745 174.948 175.800 -0.178 0.000 1.211 505 F CA -0.437 57.486 58.000 -0.128 0.000 1.099 505 F CB 0.972 39.879 39.000 -0.156 0.000 1.359 505 F HN 0.484 nan 8.300 nan 0.000 0.549 506 A N 3.356 125.719 122.820 -0.762 0.000 2.281 506 A HA 1.033 5.356 4.320 0.004 0.000 0.329 506 A C -0.005 176.960 177.584 -1.032 0.000 1.122 506 A CA -0.150 51.378 52.037 -0.849 0.000 0.850 506 A CB 1.223 19.367 19.000 -1.426 0.000 1.207 506 A HN 1.746 nan 8.150 nan 0.000 0.495 507 G N -1.185 107.328 108.800 -0.478 0.000 2.338 507 G HA2 0.624 4.587 3.960 0.004 0.000 0.295 507 G HA3 0.624 4.587 3.960 0.004 0.000 0.295 507 G C -1.238 173.935 174.900 0.455 0.000 1.461 507 G CA -0.093 44.940 45.100 -0.112 0.000 0.817 507 G HN 1.821 nan 8.290 nan 0.000 0.556 508 F N -1.793 118.368 119.950 0.351 0.000 2.668 508 F HA 0.964 5.494 4.527 0.004 0.000 0.309 508 F C -0.231 175.726 175.800 0.263 0.000 1.117 508 F CA -1.089 57.083 58.000 0.287 0.000 0.951 508 F CB 1.487 40.616 39.000 0.214 0.000 1.323 508 F HN 1.506 nan 8.300 nan 0.000 0.451 509 A N 1.148 124.154 122.820 0.309 0.000 2.610 509 A HA 0.926 5.249 4.320 0.004 0.000 0.291 509 A C -3.377 174.293 177.584 0.144 0.000 1.086 509 A CA -1.856 50.292 52.037 0.186 0.000 0.677 509 A CB 1.734 20.789 19.000 0.092 0.000 1.278 509 A HN 0.489 nan 8.150 nan 0.000 0.414 510 P HA 0.446 nan 4.420 nan 0.000 0.277 510 P C 0.843 178.281 177.300 0.230 0.000 1.240 510 P CA 0.391 63.620 63.100 0.215 0.000 0.798 510 P CB 1.212 33.079 31.700 0.278 0.000 0.979 511 A N 2.125 125.083 122.820 0.231 0.000 1.908 511 A HA -0.197 4.125 4.320 0.004 0.000 0.218 511 A C 1.977 179.649 177.584 0.147 0.000 1.181 511 A CA 2.730 54.879 52.037 0.186 0.000 0.627 511 A CB -2.140 16.939 19.000 0.131 0.000 0.818 511 A HN 0.647 nan 8.150 nan 0.000 0.445 512 T N -3.654 110.974 114.554 0.123 0.000 2.951 512 T HA -0.011 4.342 4.350 0.004 0.000 0.268 512 T C 0.430 175.184 174.700 0.090 0.000 1.073 512 T CA 1.442 63.591 62.100 0.082 0.000 1.134 512 T CB -0.046 68.866 68.868 0.074 0.000 0.884 512 T HN 0.334 nan 8.240 nan 0.000 0.479 513 D N 1.304 121.774 120.400 0.116 0.000 2.634 513 D HA 0.320 4.963 4.640 0.004 0.000 0.236 513 D C -3.254 173.117 176.300 0.118 0.000 1.323 513 D CA -1.926 52.133 54.000 0.099 0.000 0.884 513 D CB 1.192 42.041 40.800 0.081 0.000 1.496 513 D HN 0.045 nan 8.370 nan 0.000 0.525 514 P HA 0.115 nan 4.420 nan 0.000 0.262 514 P C 0.669 178.039 177.300 0.116 0.000 1.182 514 P CA -0.100 63.108 63.100 0.180 0.000 0.761 514 P CB 0.921 32.744 31.700 0.205 0.000 0.795 515 R N 2.935 123.501 120.500 0.111 0.000 2.140 515 R HA 0.309 4.652 4.340 0.004 0.000 0.200 515 R C 0.919 177.261 176.300 0.069 0.000 1.069 515 R CA 0.834 56.975 56.100 0.069 0.000 1.088 515 R CB -0.088 30.236 30.300 0.041 0.000 1.012 515 R HN 0.524 nan 8.270 nan 0.000 0.500 516 I N -1.868 118.755 120.570 0.089 0.000 2.647 516 I HA 0.695 4.868 4.170 0.004 0.000 0.295 516 I C -0.846 175.378 176.117 0.179 0.000 1.078 516 I CA -1.393 59.962 61.300 0.092 0.000 1.048 516 I CB 2.360 40.378 38.000 0.031 0.000 1.239 516 I HN -0.175 nan 8.210 nan 0.000 0.421 517 A N 6.778 129.711 122.820 0.187 0.000 2.312 517 A HA 0.859 5.182 4.320 0.004 0.000 0.328 517 A C -0.567 177.141 177.584 0.206 0.000 1.158 517 A CA -0.681 51.521 52.037 0.275 0.000 0.821 517 A CB 1.592 20.748 19.000 0.260 0.000 1.170 517 A HN 0.924 nan 8.150 nan 0.000 0.490 518 M N 2.689 122.444 119.600 0.258 0.000 2.386 518 M HA 0.575 5.058 4.480 0.004 0.000 0.293 518 M C -2.069 174.360 176.300 0.215 0.000 1.120 518 M CA -0.488 54.936 55.300 0.207 0.000 0.909 518 M CB 2.073 34.764 32.600 0.153 0.000 1.661 518 M HN 0.416 nan 8.290 nan 0.000 0.452 519 V N 4.600 124.602 119.914 0.146 0.000 2.588 519 V HA 0.636 4.759 4.120 0.004 0.000 0.304 519 V C -0.990 175.179 176.094 0.125 0.000 1.042 519 V CA -0.703 61.663 62.300 0.111 0.000 0.877 519 V CB 2.067 33.941 31.823 0.085 0.000 0.996 519 V HN 0.666 nan 8.190 nan 0.000 0.425 520 V N 5.359 125.357 119.914 0.141 0.000 2.483 520 V HA 0.541 4.664 4.120 0.004 0.000 0.297 520 V C -0.498 175.624 176.094 0.045 0.000 1.027 520 V CA -0.520 61.840 62.300 0.101 0.000 0.855 520 V CB 2.037 33.946 31.823 0.143 0.000 0.995 520 V HN 0.603 nan 8.190 nan 0.000 0.424 521 V N 6.534 126.438 119.914 -0.018 0.000 2.487 521 V HA 0.565 4.688 4.120 0.004 0.000 0.298 521 V C -0.362 175.682 176.094 -0.083 0.000 1.028 521 V CA -0.421 61.819 62.300 -0.101 0.000 0.860 521 V CB 2.030 33.716 31.823 -0.227 0.000 0.991 521 V HN 0.682 nan 8.190 nan 0.000 0.427 522 I N 3.462 123.988 120.570 -0.073 0.000 2.447 522 I HA 0.397 4.569 4.170 0.004 0.000 0.287 522 I C -0.980 175.105 176.117 -0.053 0.000 1.023 522 I CA -0.443 60.827 61.300 -0.050 0.000 1.083 522 I CB 2.089 40.076 38.000 -0.022 0.000 1.245 522 I HN 0.513 nan 8.210 nan 0.000 0.434 523 D N 7.124 127.490 120.400 -0.056 0.000 2.198 523 D HA 0.112 4.755 4.640 0.004 0.000 0.245 523 D C -0.094 176.191 176.300 -0.025 0.000 1.079 523 D CA 0.007 53.975 54.000 -0.053 0.000 0.854 523 D CB 0.995 41.757 40.800 -0.063 0.000 1.148 523 D HN 0.565 nan 8.370 nan 0.000 0.456 524 E N 1.734 121.925 120.200 -0.014 0.000 1.651 524 E HA -0.200 4.153 4.350 0.004 0.000 0.209 524 E C -2.240 174.366 176.600 0.009 0.000 1.313 524 E CA -0.220 56.178 56.400 -0.004 0.000 0.660 524 E CB -1.260 28.415 29.700 -0.041 0.000 0.983 524 E HN 0.216 nan 8.360 nan 0.000 0.283 525 P HA 0.048 nan 4.420 nan 0.000 0.276 525 P C 0.212 177.540 177.300 0.047 0.000 1.252 525 P CA -0.215 62.906 63.100 0.036 0.000 0.802 525 P CB 1.524 33.251 31.700 0.046 0.000 1.035 526 S N -0.978 114.743 115.700 0.035 0.000 2.483 526 S HA 0.128 4.601 4.470 0.004 0.000 0.280 526 S C 0.904 175.524 174.600 0.033 0.000 1.059 526 S CA -0.434 57.786 58.200 0.034 0.000 1.359 526 S CB -0.265 62.943 63.200 0.013 0.000 1.171 526 S HN 0.328 nan 8.310 nan 0.000 0.625 527 K N 1.902 122.317 120.400 0.025 0.000 2.476 527 K HA 0.631 4.954 4.320 0.004 0.000 0.196 527 K C 0.587 177.201 176.600 0.023 0.000 1.025 527 K CA 0.481 56.779 56.287 0.020 0.000 1.138 527 K CB 0.501 33.008 32.500 0.011 0.000 0.860 527 K HN 0.522 nan 8.250 nan 0.000 0.515 528 A N -0.026 122.814 122.820 0.034 0.000 4.928 528 A HA 0.561 4.884 4.320 0.004 0.000 0.242 528 A C -0.225 177.387 177.584 0.048 0.000 0.976 528 A CA -0.342 51.713 52.037 0.030 0.000 0.612 528 A CB -0.353 18.655 19.000 0.014 0.000 1.867 528 A HN 0.171 nan 8.150 nan 0.000 0.907 529 G N -1.835 106.976 108.800 0.018 0.000 2.653 529 G HA2 0.430 4.393 3.960 0.004 0.000 0.265 529 G HA3 0.430 4.393 3.960 0.004 0.000 0.265 529 G C 0.089 174.978 174.900 -0.018 0.000 1.237 529 G CA 0.761 45.843 45.100 -0.031 0.000 0.946 529 G HN 1.582 nan 8.290 nan 0.000 0.522 530 Y N -3.459 116.692 120.300 -0.248 0.000 2.540 530 Y HA 0.499 5.043 4.550 -0.010 0.000 0.257 530 Y C 0.334 176.042 175.900 -0.320 0.000 1.090 530 Y CA -1.411 56.510 58.100 -0.299 0.000 1.242 530 Y CB -0.239 37.978 38.460 -0.405 0.000 1.325 530 Y HN 0.177 nan 8.280 nan 0.000 0.544 531 F N 2.011 121.703 119.950 -0.431 0.000 2.506 531 F HA 0.378 4.918 4.527 0.022 0.000 0.351 531 F C 1.885 177.610 175.800 -0.124 0.000 1.136 531 F CA 0.519 58.346 58.000 -0.289 0.000 1.298 531 F CB 1.101 39.897 39.000 -0.340 0.000 1.145 531 F HN 0.219 nan 8.300 nan 0.000 0.593 532 G N 1.627 110.524 108.800 0.161 0.000 2.440 532 G HA2 -0.230 3.733 3.960 0.004 0.000 0.218 532 G HA3 -0.230 3.733 3.960 0.004 0.000 0.218 532 G C 1.801 176.734 174.900 0.055 0.000 1.154 532 G CA 0.779 45.948 45.100 0.116 0.000 0.767 532 G HN 0.915 nan 8.290 nan 0.000 0.552 533 G N 0.302 109.121 108.800 0.033 0.000 2.462 533 G HA2 -0.100 3.862 3.960 0.004 0.000 0.220 533 G HA3 -0.100 3.862 3.960 0.004 0.000 0.220 533 G C 1.687 176.484 174.900 -0.172 0.000 1.121 533 G CA 1.093 46.139 45.100 -0.089 0.000 0.758 533 G HN 0.432 nan 8.290 nan 0.000 0.559 534 L N -0.446 120.720 121.223 -0.094 0.000 2.200 534 L HA 0.298 4.640 4.340 0.004 0.000 0.200 534 L C 2.732 179.545 176.870 -0.095 0.000 1.072 534 L CA 0.859 55.634 54.840 -0.108 0.000 0.787 534 L CB 0.086 42.115 42.059 -0.050 0.000 0.957 534 L HN 0.029 nan 8.230 nan 0.000 0.459 535 V N -1.658 118.223 119.914 -0.055 0.000 2.426 535 V HA -0.039 4.084 4.120 0.004 0.000 0.242 535 V C 2.142 178.205 176.094 -0.051 0.000 1.036 535 V CA 1.701 63.977 62.300 -0.040 0.000 1.044 535 V CB 0.306 32.125 31.823 -0.007 0.000 0.688 535 V HN 0.381 nan 8.190 nan 0.000 0.462 536 S N -0.321 115.353 115.700 -0.045 0.000 2.492 536 S HA 0.234 4.707 4.470 0.004 0.000 0.218 536 S C 2.046 176.556 174.600 -0.150 0.000 1.016 536 S CA 0.666 58.846 58.200 -0.032 0.000 0.916 536 S CB 0.318 63.555 63.200 0.061 0.000 0.791 536 S HN 0.534 nan 8.310 nan 0.000 0.513 537 A N 2.786 125.415 122.820 -0.320 0.000 1.902 537 A HA 0.011 4.333 4.320 0.004 0.000 0.217 537 A C -0.374 176.993 177.584 -0.361 0.000 1.181 537 A CA 1.391 53.032 52.037 -0.661 0.000 0.623 537 A CB -1.690 16.938 19.000 -0.619 0.000 0.818 537 A HN 0.373 nan 8.150 nan 0.000 0.443 538 P HA -0.026 nan 4.420 nan 0.000 0.222 538 P C 1.533 178.778 177.300 -0.091 0.000 1.153 538 P CA 0.766 63.781 63.100 -0.142 0.000 0.798 538 P CB -0.067 31.561 31.700 -0.120 0.000 0.796 539 V N -0.444 119.424 119.914 -0.077 0.000 2.307 539 V HA -0.234 3.888 4.120 0.004 0.000 0.245 539 V C 2.185 178.261 176.094 -0.031 0.000 1.045 539 V CA 1.705 63.976 62.300 -0.048 0.000 1.024 539 V CB -1.377 30.428 31.823 -0.029 0.000 0.651 539 V HN 0.014 nan 8.190 nan 0.000 0.449 540 F N 1.123 120.976 119.950 -0.163 0.000 2.063 540 F HA -0.299 4.228 4.527 0.000 0.000 0.298 540 F C 2.769 178.492 175.800 -0.128 0.000 1.109 540 F CA 2.186 60.105 58.000 -0.134 0.000 1.212 540 F CB -0.598 38.251 39.000 -0.252 0.000 0.973 540 F HN 0.123 nan 8.300 nan 0.000 0.480 541 S N -0.026 115.678 115.700 0.007 0.000 2.359 541 S HA -0.269 4.204 4.470 0.004 0.000 0.222 541 S C 2.125 176.642 174.600 -0.138 0.000 1.038 541 S CA 1.971 60.142 58.200 -0.048 0.000 1.051 541 S CB -0.427 62.765 63.200 -0.014 0.000 0.944 541 S HN 0.515 nan 8.310 nan 0.000 0.433 542 K N 0.152 120.488 120.400 -0.107 0.000 2.002 542 K HA -0.061 4.262 4.320 0.004 0.000 0.209 542 K C 2.137 178.663 176.600 -0.123 0.000 1.048 542 K CA 1.666 57.898 56.287 -0.092 0.000 0.930 542 K CB -0.621 31.836 32.500 -0.072 0.000 0.714 542 K HN 0.272 nan 8.250 nan 0.000 0.438 543 V N 1.453 121.275 119.914 -0.152 0.000 2.287 543 V HA -0.284 3.839 4.120 0.004 0.000 0.248 543 V C 2.354 178.320 176.094 -0.213 0.000 1.053 543 V CA 1.853 64.059 62.300 -0.157 0.000 1.027 543 V CB -0.379 31.359 31.823 -0.142 0.000 0.646 543 V HN 0.347 nan 8.190 nan 0.000 0.447 544 M N 0.746 120.132 119.600 -0.358 0.000 2.086 544 M HA -0.073 4.410 4.480 0.004 0.000 0.261 544 M C 2.109 178.238 176.300 -0.284 0.000 1.067 544 M CA 2.170 57.221 55.300 -0.414 0.000 1.116 544 M CB -0.773 31.382 32.600 -0.742 0.000 1.348 544 M HN 0.258 nan 8.290 nan 0.000 0.407 545 A N -0.516 122.185 122.820 -0.198 0.000 1.917 545 A HA -0.070 4.252 4.320 0.004 0.000 0.219 545 A C 2.337 179.886 177.584 -0.058 0.000 1.182 545 A CA 2.037 54.026 52.037 -0.080 0.000 0.633 545 A CB -1.816 17.174 19.000 -0.017 0.000 0.819 545 A HN 0.629 nan 8.150 nan 0.000 0.448 546 G N -1.010 107.748 108.800 -0.070 0.000 2.394 546 G HA2 0.108 4.071 3.960 0.004 0.000 0.215 546 G HA3 0.108 4.071 3.960 0.004 0.000 0.215 546 G C 1.763 176.629 174.900 -0.055 0.000 1.165 546 G CA 1.267 46.342 45.100 -0.041 0.000 0.784 546 G HN 0.806 nan 8.290 nan 0.000 0.535 547 A N 0.521 123.284 122.820 -0.095 0.000 1.908 547 A HA 0.020 4.343 4.320 0.004 0.000 0.218 547 A C 2.339 179.861 177.584 -0.103 0.000 1.181 547 A CA 1.456 53.438 52.037 -0.091 0.000 0.627 547 A CB -0.435 18.497 19.000 -0.114 0.000 0.818 547 A HN 0.293 nan 8.150 nan 0.000 0.445 548 L N -0.451 120.661 121.223 -0.184 0.000 2.083 548 L HA -0.084 4.259 4.340 0.004 0.000 0.209 548 L C 2.603 179.424 176.870 -0.082 0.000 1.083 548 L CA 1.779 56.473 54.840 -0.244 0.000 0.752 548 L CB -0.852 40.797 42.059 -0.683 0.000 0.899 548 L HN 0.363 nan 8.230 nan 0.000 0.433 549 R N -1.260 119.232 120.500 -0.014 0.000 2.119 549 R HA -0.026 4.316 4.340 0.004 0.000 0.222 549 R C 2.223 178.545 176.300 0.038 0.000 1.088 549 R CA 0.674 56.814 56.100 0.066 0.000 0.984 549 R CB -0.278 30.073 30.300 0.084 0.000 0.884 549 R HN 0.284 nan 8.270 nan 0.000 0.447 550 L N 0.134 121.365 121.223 0.014 0.000 2.131 550 L HA -0.134 4.209 4.340 0.004 0.000 0.210 550 L C 2.089 178.968 176.870 0.015 0.000 1.092 550 L CA 1.293 56.143 54.840 0.016 0.000 0.759 550 L CB -0.136 41.931 42.059 0.012 0.000 0.903 550 L HN 0.246 nan 8.230 nan 0.000 0.435 551 M N -0.816 118.788 119.600 0.008 0.000 2.561 551 M HA 0.063 4.545 4.480 0.004 0.000 0.238 551 M C 0.010 176.327 176.300 0.028 0.000 1.131 551 M CA 0.148 55.455 55.300 0.012 0.000 1.046 551 M CB 0.257 32.857 32.600 0.001 0.000 1.532 551 M HN 0.201 nan 8.290 nan 0.000 0.497 552 N N 0.298 119.023 118.700 0.042 0.000 2.754 552 N HA -0.119 4.624 4.740 0.004 0.000 0.248 552 N C -0.878 174.681 175.510 0.081 0.000 1.093 552 N CA 0.256 53.343 53.050 0.061 0.000 0.699 552 N CB -1.749 36.766 38.487 0.046 0.000 1.016 552 N HN 0.168 nan 8.380 nan 0.000 0.552 553 V N 1.306 121.278 119.914 0.097 0.000 2.479 553 V HA 0.143 4.266 4.120 0.004 0.000 0.281 553 V C -1.544 174.703 176.094 0.254 0.000 1.031 553 V CA -0.742 61.641 62.300 0.138 0.000 1.038 553 V CB 0.657 32.525 31.823 0.076 0.000 0.981 553 V HN 0.033 nan 8.190 nan 0.000 0.478 554 P HA 0.212 nan 4.420 nan 0.000 0.271 554 P C -2.525 174.868 177.300 0.155 0.000 1.216 554 P CA -1.149 62.035 63.100 0.140 0.000 0.771 554 P CB -0.130 31.621 31.700 0.086 0.000 0.864 555 P HA -0.070 nan 4.420 nan 0.000 0.263 555 P C 0.269 177.494 177.300 -0.125 0.000 1.175 555 P CA 0.772 63.616 63.100 -0.427 0.000 0.761 555 P CB 0.297 31.764 31.700 -0.388 0.000 0.794 556 D N 0.816 121.185 120.400 -0.052 0.000 2.469 556 D HA -0.047 4.596 4.640 0.004 0.000 0.213 556 D C 0.027 176.432 176.300 0.176 0.000 1.135 556 D CA 0.127 54.192 54.000 0.108 0.000 0.834 556 D CB -0.687 40.239 40.800 0.210 0.000 1.009 556 D HN 0.289 nan 8.370 nan 0.000 0.507 557 N N 0.833 119.535 118.700 0.002 0.000 3.229 557 N HA 0.212 4.955 4.740 0.004 0.000 0.275 557 N C -0.961 174.533 175.510 -0.028 0.000 1.225 557 N CA -0.292 52.720 53.050 -0.063 0.000 1.119 557 N CB 0.162 38.425 38.487 -0.374 0.000 1.392 557 N HN -0.035 nan 8.380 nan 0.000 0.520 558 L N 0.000 121.247 121.223 0.040 0.000 2.949 558 L HA 0.000 4.343 4.340 0.004 0.000 0.249 558 L CA 0.000 54.847 54.840 0.013 0.000 0.813 558 L CB 0.000 42.062 42.059 0.004 0.000 0.961 558 L HN 0.000 nan 8.230 nan 0.000 0.502