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 1ed4_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.966 3.960 0.009 0.000 0.244 67 G C 0.000 174.852 174.900 -0.080 0.000 0.946 67 G CA 0.000 45.080 45.100 -0.033 0.000 0.502 68 P HA 0.256 nan 4.420 nan 0.000 0.264 68 P C -0.323 176.980 177.300 0.004 0.000 1.183 68 P CA 0.166 63.173 63.100 -0.154 0.000 0.763 68 P CB 0.476 31.863 31.700 -0.520 0.000 0.807 69 K N 3.194 123.544 120.400 -0.082 0.000 3.006 69 K HA 0.228 4.554 4.320 0.009 0.000 0.265 69 K C -0.527 175.695 176.600 -0.630 0.000 1.279 69 K CA 0.163 56.272 56.287 -0.297 0.000 1.229 69 K CB -0.492 31.783 32.500 -0.375 0.000 1.555 69 K HN 0.392 nan 8.250 nan 0.000 0.300 70 F N -0.308 119.680 119.950 0.064 0.000 2.643 70 F HA 0.314 4.847 4.527 0.010 0.000 0.314 70 F C -2.299 173.598 175.800 0.163 0.000 1.096 70 F CA -2.912 55.142 58.000 0.090 0.000 0.953 70 F CB 0.943 39.998 39.000 0.092 0.000 1.345 70 F HN -0.058 nan 8.300 nan 0.000 0.468 71 P HA 0.117 nan 4.420 nan 0.000 0.267 71 P C -0.899 176.465 177.300 0.106 0.000 1.205 71 P CA -0.123 63.075 63.100 0.163 0.000 0.765 71 P CB 0.500 32.270 31.700 0.117 0.000 0.828 72 R N 3.090 123.577 120.500 -0.022 0.000 2.221 72 R HA 0.397 4.743 4.340 0.009 0.000 0.327 72 R C -1.182 174.987 176.300 -0.218 0.000 1.033 72 R CA -0.513 55.372 56.100 -0.358 0.000 0.887 72 R CB 0.471 30.598 30.300 -0.288 0.000 1.057 72 R HN 0.229 nan 8.270 nan 0.000 0.455 73 V N 5.114 124.873 119.914 -0.259 0.000 2.448 73 V HA 0.356 4.481 4.120 0.009 0.000 0.295 73 V C -0.214 175.790 176.094 -0.150 0.000 1.025 73 V CA -0.753 61.477 62.300 -0.117 0.000 0.859 73 V CB 1.464 33.262 31.823 -0.041 0.000 0.988 73 V HN 0.708 nan 8.190 nan 0.000 0.431 74 K N 3.754 124.083 120.400 -0.119 0.000 2.203 74 K HA 0.438 4.764 4.320 0.009 0.000 0.251 74 K C -0.626 175.887 176.600 -0.146 0.000 0.944 74 K CA -0.712 55.432 56.287 -0.237 0.000 0.829 74 K CB 1.491 33.691 32.500 -0.500 0.000 1.125 74 K HN 0.724 nan 8.250 nan 0.000 0.430 75 N N 3.982 122.588 118.700 -0.157 0.000 2.469 75 N HA 0.101 4.847 4.740 0.009 0.000 0.253 75 N C -0.279 175.201 175.510 -0.049 0.000 0.970 75 N CA -0.378 52.688 53.050 0.025 0.000 0.940 75 N CB 0.498 39.021 38.487 0.059 0.000 1.128 75 N HN 0.674 nan 8.380 nan 0.000 0.503 76 W N 2.163 123.546 121.300 0.138 0.000 2.595 76 W HA 0.080 4.746 4.660 0.009 0.000 0.257 76 W C 2.075 178.642 176.519 0.080 0.000 1.267 76 W CA 0.025 57.440 57.345 0.118 0.000 1.300 76 W CB 0.253 29.810 29.460 0.161 0.000 1.120 76 W HN 0.665 nan 8.180 nan 0.000 0.618 77 E N 0.522 120.868 120.200 0.245 0.000 2.051 77 E HA -0.129 4.226 4.350 0.009 0.000 0.189 77 E C 1.797 178.429 176.600 0.054 0.000 0.979 77 E CA 1.077 57.526 56.400 0.081 0.000 0.803 77 E CB -0.282 29.449 29.700 0.052 0.000 0.761 77 E HN 0.243 nan 8.360 nan 0.000 0.451 78 L N -0.800 120.453 121.223 0.050 0.000 2.477 78 L HA 0.270 4.615 4.340 0.009 0.000 0.220 78 L C 1.615 178.472 176.870 -0.022 0.000 1.106 78 L CA 0.449 55.298 54.840 0.015 0.000 0.851 78 L CB 0.305 42.375 42.059 0.018 0.000 0.994 78 L HN 0.466 nan 8.230 nan 0.000 0.462 79 G N 0.513 109.276 108.800 -0.062 0.000 2.184 79 G HA2 -0.317 3.649 3.960 0.009 0.000 0.264 79 G HA3 -0.317 3.649 3.960 0.009 0.000 0.264 79 G C 0.427 175.238 174.900 -0.149 0.000 0.975 79 G CA 0.477 45.494 45.100 -0.137 0.000 0.642 79 G HN 0.475 nan 8.290 nan 0.000 0.536 80 S N 0.056 115.691 115.700 -0.108 0.000 2.603 80 S HA 0.780 5.255 4.470 0.009 0.000 0.268 80 S C 0.153 174.673 174.600 -0.133 0.000 1.317 80 S CA -0.567 57.578 58.200 -0.092 0.000 1.012 80 S CB 2.004 65.174 63.200 -0.050 0.000 0.926 80 S HN 0.474 nan 8.310 nan 0.000 0.539 81 I N 1.705 122.204 120.570 -0.117 0.000 2.689 81 I HA 0.594 4.770 4.170 0.009 0.000 0.299 81 I C 0.200 176.236 176.117 -0.136 0.000 1.059 81 I CA -0.287 60.912 61.300 -0.168 0.000 1.055 81 I CB 1.829 39.714 38.000 -0.192 0.000 1.243 81 I HN 1.065 nan 8.210 nan 0.000 0.425 82 T N 1.233 115.660 114.554 -0.211 0.000 2.864 82 T HA 0.705 5.061 4.350 0.009 0.000 0.299 82 T C -1.410 173.116 174.700 -0.290 0.000 1.166 82 T CA -0.704 61.324 62.100 -0.120 0.000 1.007 82 T CB 1.980 70.817 68.868 -0.051 0.000 1.219 82 T HN 0.265 nan 8.240 nan 0.000 0.506 83 Y N 0.159 120.447 120.300 -0.020 0.000 2.409 83 Y HA 0.511 5.067 4.550 0.009 0.000 0.343 83 Y C -0.104 175.769 175.900 -0.046 0.000 0.973 83 Y CA -0.972 57.127 58.100 -0.002 0.000 1.064 83 Y CB 1.804 40.269 38.460 0.007 0.000 1.207 83 Y HN 0.730 nan 8.280 nan 0.000 0.452 84 D N 1.850 122.319 120.400 0.115 0.000 2.347 84 D HA 0.105 4.751 4.640 0.009 0.000 0.235 84 D C 0.604 176.878 176.300 -0.043 0.000 1.149 84 D CA 0.075 54.099 54.000 0.040 0.000 0.850 84 D CB 1.320 42.173 40.800 0.089 0.000 1.061 84 D HN 0.803 nan 8.370 nan 0.000 0.487 85 T N 1.091 115.498 114.554 -0.245 0.000 3.022 85 T HA -0.040 4.315 4.350 0.009 0.000 0.250 85 T C 1.839 176.415 174.700 -0.207 0.000 1.060 85 T CA -0.240 61.555 62.100 -0.508 0.000 1.013 85 T CB 0.116 68.466 68.868 -0.863 0.000 0.982 85 T HN 0.254 nan 8.240 nan 0.000 0.508 86 L N 2.502 123.642 121.223 -0.138 0.000 2.131 86 L HA 0.043 4.388 4.340 0.009 0.000 0.210 86 L C 2.619 179.363 176.870 -0.209 0.000 1.092 86 L CA 1.308 56.099 54.840 -0.082 0.000 0.759 86 L CB -0.917 41.170 42.059 0.046 0.000 0.903 86 L HN 0.662 nan 8.230 nan 0.000 0.435 87 C N -1.513 117.477 119.300 -0.516 0.000 2.409 87 C HA 0.057 4.523 4.460 0.009 0.000 0.288 87 C C 2.739 177.529 174.990 -0.333 0.000 1.395 87 C CA 0.147 58.597 59.018 -0.947 0.000 1.792 87 C CB -2.287 24.862 27.740 -0.985 0.000 1.847 87 C HN 0.574 nan 8.230 nan 0.000 0.534 88 A N -0.029 122.729 122.820 -0.103 0.000 2.121 88 A HA -0.049 4.277 4.320 0.009 0.000 0.218 88 A C 2.235 179.817 177.584 -0.002 0.000 1.154 88 A CA 1.233 53.282 52.037 0.019 0.000 0.679 88 A CB -0.376 18.732 19.000 0.180 0.000 0.795 88 A HN 0.686 nan 8.150 nan 0.000 0.458 89 Q N -0.097 119.688 119.800 -0.024 0.000 2.392 89 Q HA 0.102 4.447 4.340 0.009 0.000 0.203 89 Q C 0.731 176.750 176.000 0.032 0.000 0.917 89 Q CA 0.241 56.052 55.803 0.014 0.000 0.939 89 Q CB -0.254 28.500 28.738 0.027 0.000 1.063 89 Q HN 0.499 nan 8.270 nan 0.000 0.516 90 S N 0.972 116.682 115.700 0.016 0.000 2.537 90 S HA 0.026 4.502 4.470 0.009 0.000 0.286 90 S C 0.705 175.333 174.600 0.047 0.000 1.299 90 S CA 0.165 58.403 58.200 0.063 0.000 1.067 90 S CB 0.447 63.695 63.200 0.080 0.000 0.864 90 S HN 0.218 nan 8.310 nan 0.000 0.494 91 Q N 2.552 122.384 119.800 0.054 0.000 2.159 91 Q HA 0.216 4.561 4.340 0.009 0.000 0.217 91 Q C -0.725 175.299 176.000 0.039 0.000 0.818 91 Q CA 0.006 55.834 55.803 0.043 0.000 1.008 91 Q CB 0.804 29.569 28.738 0.046 0.000 1.148 91 Q HN 0.684 nan 8.270 nan 0.000 0.491 92 Q N 0.786 120.612 119.800 0.045 0.000 2.304 92 Q HA 0.244 4.589 4.340 0.009 0.000 0.270 92 Q C -1.385 174.641 176.000 0.043 0.000 1.035 92 Q CA -0.620 55.205 55.803 0.037 0.000 0.781 92 Q CB 1.990 30.747 28.738 0.031 0.000 1.261 92 Q HN 0.002 nan 8.270 nan 0.000 0.444 93 D N 1.564 121.985 120.400 0.035 0.000 2.382 93 D HA 0.223 4.869 4.640 0.009 0.000 0.245 93 D C 0.336 176.660 176.300 0.039 0.000 1.120 93 D CA 0.333 54.355 54.000 0.037 0.000 0.890 93 D CB 1.226 42.042 40.800 0.028 0.000 1.201 93 D HN 0.639 nan 8.370 nan 0.000 0.433 94 G N 0.947 109.775 108.800 0.047 0.000 2.531 94 G HA2 0.318 4.283 3.960 0.009 0.000 0.281 94 G HA3 0.318 4.283 3.960 0.009 0.000 0.281 94 G C -1.681 173.242 174.900 0.039 0.000 1.382 94 G CA -0.660 44.468 45.100 0.046 0.000 1.045 94 G HN 0.300 nan 8.290 nan 0.000 0.533 95 P HA 0.153 nan 4.420 nan 0.000 0.245 95 P C 0.329 177.649 177.300 0.034 0.000 1.203 95 P CA -0.025 63.097 63.100 0.036 0.000 0.792 95 P CB 0.186 31.910 31.700 0.040 0.000 0.997 96 C N 0.811 120.134 119.300 0.038 0.000 2.520 96 C HA 0.611 5.076 4.460 0.009 0.000 0.376 96 C C 1.080 176.086 174.990 0.028 0.000 1.268 96 C CA 0.225 59.263 59.018 0.034 0.000 2.414 96 C CB 0.794 28.558 27.740 0.040 0.000 2.521 96 C HN 0.360 nan 8.230 nan 0.000 0.618 97 T N -1.773 112.794 114.554 0.022 0.000 2.843 97 T HA 0.407 4.763 4.350 0.009 0.000 0.302 97 T C -2.519 172.190 174.700 0.014 0.000 1.232 97 T CA -1.035 61.075 62.100 0.017 0.000 1.009 97 T CB 1.256 70.132 68.868 0.014 0.000 1.254 97 T HN 0.261 nan 8.240 nan 0.000 0.504 98 P HA 0.003 nan 4.420 nan 0.000 0.219 98 P C 1.482 178.787 177.300 0.007 0.000 1.146 98 P CA 0.697 63.801 63.100 0.008 0.000 0.808 98 P CB 0.124 31.827 31.700 0.005 0.000 0.779 99 R N -0.236 120.268 120.500 0.007 0.000 2.090 99 R HA -0.043 4.303 4.340 0.009 0.000 0.228 99 R C 0.576 176.880 176.300 0.007 0.000 1.110 99 R CA 0.872 56.976 56.100 0.006 0.000 0.973 99 R CB 0.182 30.486 30.300 0.006 0.000 0.869 99 R HN 0.078 nan 8.270 nan 0.000 0.440 100 R N -0.352 120.154 120.500 0.009 0.000 2.629 100 R HA 0.145 4.490 4.340 0.009 0.000 0.266 100 R C -1.854 174.455 176.300 0.015 0.000 1.051 100 R CA -0.724 55.383 56.100 0.010 0.000 0.895 100 R CB 0.122 30.428 30.300 0.010 0.000 1.246 100 R HN 0.077 nan 8.270 nan 0.000 0.459 101 C N 3.816 123.125 119.300 0.014 0.000 2.307 101 C HA 0.572 5.038 4.460 0.009 0.000 0.340 101 C C 0.796 175.803 174.990 0.027 0.000 1.275 101 C CA -0.656 58.374 59.018 0.020 0.000 1.811 101 C CB -0.750 26.998 27.740 0.014 0.000 2.372 101 C HN 0.763 nan 8.230 nan 0.000 0.531 102 L N 5.751 126.996 121.223 0.036 0.000 3.110 102 L HA 0.281 4.626 4.340 0.009 0.000 0.266 102 L C 2.054 178.960 176.870 0.061 0.000 1.257 102 L CA 0.230 55.096 54.840 0.044 0.000 1.038 102 L CB -0.105 41.978 42.059 0.041 0.000 1.395 102 L HN 1.030 nan 8.230 nan 0.000 0.566 103 G N 0.425 109.263 108.800 0.064 0.000 2.462 103 G HA2 -0.282 3.684 3.960 0.009 0.000 0.220 103 G HA3 -0.282 3.684 3.960 0.009 0.000 0.220 103 G C 1.622 176.597 174.900 0.125 0.000 1.121 103 G CA 1.213 46.365 45.100 0.087 0.000 0.758 103 G HN 0.514 nan 8.290 nan 0.000 0.559 104 S N -0.580 115.191 115.700 0.117 0.000 2.562 104 S HA 0.281 4.756 4.470 0.009 0.000 0.221 104 S C 0.733 175.431 174.600 0.163 0.000 0.975 104 S CA -0.412 57.879 58.200 0.152 0.000 0.918 104 S CB -0.066 63.199 63.200 0.108 0.000 0.772 104 S HN -0.013 nan 8.310 nan 0.000 0.531 105 L N 2.428 123.729 121.223 0.129 0.000 2.410 105 L HA 0.223 4.569 4.340 0.009 0.000 0.273 105 L C 1.397 178.368 176.870 0.168 0.000 1.144 105 L CA 0.204 55.116 54.840 0.121 0.000 0.863 105 L CB 0.712 42.819 42.059 0.081 0.000 1.140 105 L HN -0.006 nan 8.230 nan 0.000 0.463 106 V N 4.132 124.160 119.914 0.190 0.000 2.270 106 V HA -0.149 3.976 4.120 0.009 0.000 0.245 106 V C 1.034 177.219 176.094 0.152 0.000 1.043 106 V CA 1.354 63.807 62.300 0.255 0.000 1.014 106 V CB -0.292 31.680 31.823 0.248 0.000 0.645 106 V HN 0.532 nan 8.190 nan 0.000 0.447 107 L N 2.863 124.123 121.223 0.062 0.000 2.599 107 L HA 0.366 4.712 4.340 0.009 0.000 0.241 107 L C -2.391 174.506 176.870 0.045 0.000 1.207 107 L CA -1.215 53.637 54.840 0.019 0.000 0.987 107 L CB 0.703 42.697 42.059 -0.109 0.000 1.318 107 L HN 0.252 nan 8.230 nan 0.000 0.458 108 P HA 0.158 nan 4.420 nan 0.000 0.281 108 P C -0.298 177.031 177.300 0.048 0.000 1.252 108 P CA -0.615 62.517 63.100 0.052 0.000 0.778 108 P CB 0.993 32.727 31.700 0.056 0.000 0.895 109 R N 3.507 124.026 120.500 0.031 0.000 3.491 109 R HA 0.041 4.386 4.340 0.009 0.000 0.186 109 R C 0.761 177.078 176.300 0.028 0.000 1.737 109 R CA 0.379 56.494 56.100 0.025 0.000 1.218 109 R CB -0.439 29.869 30.300 0.013 0.000 1.301 109 R HN 0.474 nan 8.270 nan 0.000 0.703 110 K N 0.191 120.613 120.400 0.037 0.000 3.248 110 K HA 0.163 4.488 4.320 0.009 0.000 0.255 110 K C 1.863 178.480 176.600 0.029 0.000 1.395 110 K CA -0.184 56.122 56.287 0.031 0.000 1.139 110 K CB -0.753 31.767 32.500 0.033 0.000 2.091 110 K HN 0.011 nan 8.250 nan 0.000 0.408 111 L N 2.212 123.454 121.223 0.031 0.000 1.990 111 L HA -0.127 4.219 4.340 0.009 0.000 0.213 111 L C 0.780 177.669 176.870 0.030 0.000 1.072 111 L CA 1.140 55.992 54.840 0.019 0.000 0.755 111 L CB -1.195 40.863 42.059 -0.001 0.000 0.889 111 L HN 0.388 nan 8.230 nan 0.000 0.432 112 Q N 1.163 120.999 119.800 0.061 0.000 3.331 112 Q HA -0.207 4.138 4.340 0.009 0.000 0.252 112 Q C 0.177 176.194 176.000 0.028 0.000 1.497 112 Q CA 0.953 56.792 55.803 0.061 0.000 0.728 112 Q CB -0.378 28.384 28.738 0.041 0.000 0.927 112 Q HN 0.519 nan 8.270 nan 0.000 0.443 113 T N 2.021 116.592 114.554 0.028 0.000 4.309 113 T HA 0.295 4.651 4.350 0.009 0.000 0.242 113 T C 0.238 174.932 174.700 -0.010 0.000 1.142 113 T CA -0.688 61.416 62.100 0.006 0.000 1.042 113 T CB -0.007 68.866 68.868 0.008 0.000 1.366 113 T HN 0.434 nan 8.240 nan 0.000 0.942 114 R N 2.642 123.132 120.500 -0.016 0.000 2.566 114 R HA 0.132 4.478 4.340 0.009 0.000 0.273 114 R C -2.454 173.825 176.300 -0.035 0.000 0.981 114 R CA -1.579 54.502 56.100 -0.032 0.000 1.091 114 R CB -0.480 29.804 30.300 -0.028 0.000 0.924 114 R HN 0.275 nan 8.270 nan 0.000 0.411 115 P HA -0.022 nan 4.420 nan 0.000 0.256 115 P C -0.988 176.293 177.300 -0.032 0.000 1.189 115 P CA 0.491 63.566 63.100 -0.042 0.000 0.808 115 P CB 0.386 32.053 31.700 -0.055 0.000 0.793 116 S N 3.833 119.517 115.700 -0.028 0.000 2.921 116 S HA 0.342 4.817 4.470 0.009 0.000 0.244 116 S C -1.640 172.948 174.600 -0.021 0.000 1.291 116 S CA -1.167 57.020 58.200 -0.022 0.000 1.010 116 S CB 0.122 63.309 63.200 -0.021 0.000 1.255 116 S HN 0.176 nan 8.310 nan 0.000 0.492 117 P HA -0.017 nan 4.420 nan 0.000 0.201 117 P C 1.047 178.341 177.300 -0.010 0.000 1.046 117 P CA 1.075 64.167 63.100 -0.013 0.000 0.942 117 P CB -0.686 31.008 31.700 -0.010 0.000 0.733 118 G N 1.144 109.940 108.800 -0.007 0.000 2.238 118 G HA2 0.052 4.018 3.960 0.009 0.000 0.234 118 G HA3 0.052 4.018 3.960 0.009 0.000 0.234 118 G C -2.250 172.646 174.900 -0.005 0.000 1.181 118 G CA -0.485 44.613 45.100 -0.004 0.000 0.871 118 G HN 0.177 nan 8.290 nan 0.000 0.490 119 P HA 0.038 nan 4.420 nan 0.000 0.264 119 P C -1.911 175.388 177.300 -0.002 0.000 1.173 119 P CA -0.325 62.773 63.100 -0.003 0.000 0.761 119 P CB 0.134 31.837 31.700 0.005 0.000 0.794 120 P HA 0.263 nan 4.420 nan 0.000 0.284 120 P C -2.542 174.763 177.300 0.008 0.000 1.253 120 P CA -1.935 61.164 63.100 -0.002 0.000 0.800 120 P CB -0.284 31.411 31.700 -0.008 0.000 0.961 121 P HA -0.064 nan 4.420 nan 0.000 0.253 121 P C 1.034 178.345 177.300 0.018 0.000 1.159 121 P CA 0.465 63.572 63.100 0.012 0.000 0.779 121 P CB -0.062 31.644 31.700 0.010 0.000 0.745 122 A N 4.091 126.923 122.820 0.020 0.000 1.986 122 A HA -0.265 4.061 4.320 0.009 0.000 0.220 122 A C 2.126 179.723 177.584 0.022 0.000 1.171 122 A CA 1.842 53.894 52.037 0.026 0.000 0.640 122 A CB -0.776 18.238 19.000 0.024 0.000 0.811 122 A HN 0.592 nan 8.150 nan 0.000 0.451 123 E N -0.790 119.420 120.200 0.016 0.000 2.106 123 E HA -0.240 4.116 4.350 0.009 0.000 0.192 123 E C 2.238 178.848 176.600 0.016 0.000 0.984 123 E CA 1.240 57.648 56.400 0.012 0.000 0.806 123 E CB -0.121 29.585 29.700 0.009 0.000 0.750 123 E HN 0.841 nan 8.360 nan 0.000 0.458 124 Q N 0.304 120.116 119.800 0.019 0.000 2.049 124 Q HA -0.170 4.176 4.340 0.009 0.000 0.198 124 Q C 2.301 178.322 176.000 0.034 0.000 0.971 124 Q CA 1.120 56.937 55.803 0.023 0.000 0.833 124 Q CB -0.154 28.596 28.738 0.019 0.000 0.896 124 Q HN 0.318 nan 8.270 nan 0.000 0.434 125 L N 0.693 121.941 121.223 0.041 0.000 2.046 125 L HA -0.163 4.183 4.340 0.009 0.000 0.208 125 L C 2.149 179.061 176.870 0.070 0.000 1.077 125 L CA 1.467 56.348 54.840 0.069 0.000 0.747 125 L CB -0.782 41.326 42.059 0.082 0.000 0.896 125 L HN 0.388 nan 8.230 nan 0.000 0.432 126 L N -0.421 120.823 121.223 0.034 0.000 2.012 126 L HA -0.213 4.133 4.340 0.009 0.000 0.210 126 L C 2.801 179.674 176.870 0.006 0.000 1.073 126 L CA 2.284 57.122 54.840 -0.003 0.000 0.748 126 L CB -1.208 40.846 42.059 -0.008 0.000 0.891 126 L HN 0.696 nan 8.230 nan 0.000 0.431 127 S N -1.099 114.615 115.700 0.023 0.000 2.368 127 S HA -0.266 4.210 4.470 0.009 0.000 0.225 127 S C 1.807 176.443 174.600 0.060 0.000 1.030 127 S CA 1.230 59.450 58.200 0.033 0.000 0.999 127 S CB -0.475 62.743 63.200 0.030 0.000 0.844 127 S HN 0.538 nan 8.310 nan 0.000 0.459 128 Q N 1.060 120.905 119.800 0.074 0.000 2.119 128 Q HA 0.078 4.423 4.340 0.009 0.000 0.201 128 Q C 2.627 178.729 176.000 0.169 0.000 0.972 128 Q CA 1.336 57.205 55.803 0.111 0.000 0.847 128 Q CB -0.521 28.275 28.738 0.096 0.000 0.903 128 Q HN 0.786 nan 8.270 nan 0.000 0.433 129 A N 1.305 124.207 122.820 0.136 0.000 1.898 129 A HA -0.189 4.137 4.320 0.009 0.000 0.216 129 A C 1.986 179.639 177.584 0.114 0.000 1.181 129 A CA 1.215 53.321 52.037 0.115 0.000 0.620 129 A CB -0.343 18.498 19.000 -0.264 0.000 0.819 129 A HN 0.212 nan 8.150 nan 0.000 0.442 130 R N -0.514 120.019 120.500 0.054 0.000 2.081 130 R HA -0.153 4.193 4.340 0.009 0.000 0.235 130 R C 2.015 178.388 176.300 0.122 0.000 1.131 130 R CA 1.579 57.717 56.100 0.063 0.000 0.960 130 R CB -0.553 29.762 30.300 0.024 0.000 0.856 130 R HN 0.688 nan 8.270 nan 0.000 0.436 131 D N 0.357 120.839 120.400 0.136 0.000 2.104 131 D HA -0.219 4.427 4.640 0.009 0.000 0.194 131 D C 1.654 178.076 176.300 0.204 0.000 0.994 131 D CA 1.080 55.170 54.000 0.150 0.000 0.830 131 D CB -0.081 40.804 40.800 0.142 0.000 0.959 131 D HN 0.139 nan 8.370 nan 0.000 0.452 132 F N 0.722 120.760 119.950 0.147 0.000 2.134 132 F HA -0.073 4.459 4.527 0.008 0.000 0.299 132 F C 1.944 177.892 175.800 0.247 0.000 1.097 132 F CA 0.994 59.117 58.000 0.206 0.000 1.264 132 F CB -0.223 38.904 39.000 0.212 0.000 1.001 132 F HN 0.002 nan 8.300 nan 0.000 0.479 133 I N 0.865 121.453 120.570 0.030 0.000 2.286 133 I HA -0.288 3.888 4.170 0.009 0.000 0.248 133 I C 1.929 178.089 176.117 0.071 0.000 1.115 133 I CA 1.135 62.455 61.300 0.033 0.000 1.392 133 I CB -1.573 36.537 38.000 0.183 0.000 1.065 133 I HN 0.229 nan 8.210 nan 0.000 0.418 134 N N 0.851 119.615 118.700 0.107 0.000 2.142 134 N HA -0.174 4.572 4.740 0.009 0.000 0.186 134 N C 1.835 177.310 175.510 -0.059 0.000 1.023 134 N CA 1.015 54.119 53.050 0.091 0.000 0.852 134 N CB -0.303 38.275 38.487 0.151 0.000 0.998 134 N HN 0.491 nan 8.380 nan 0.000 0.424 135 Q N -0.544 119.228 119.800 -0.047 0.000 2.084 135 Q HA -0.177 4.168 4.340 0.009 0.000 0.202 135 Q C 1.764 177.570 176.000 -0.323 0.000 0.978 135 Q CA 1.247 57.026 55.803 -0.041 0.000 0.844 135 Q CB -0.245 28.598 28.738 0.175 0.000 0.898 135 Q HN 0.442 nan 8.270 nan 0.000 0.426 136 Y N 0.031 119.923 120.300 -0.679 0.000 2.114 136 Y HA -0.289 4.265 4.550 0.008 0.000 0.284 136 Y C 1.731 177.111 175.900 -0.866 0.000 1.143 136 Y CA 1.609 59.052 58.100 -1.095 0.000 1.135 136 Y CB -0.494 37.395 38.460 -0.951 0.000 0.980 136 Y HN 0.088 nan 8.280 nan 0.000 0.499 137 Y N -0.434 119.447 120.300 -0.699 0.000 2.352 137 Y HA -0.184 4.373 4.550 0.010 0.000 0.292 137 Y C 2.760 178.320 175.900 -0.566 0.000 1.136 137 Y CA 1.613 59.279 58.100 -0.723 0.000 1.227 137 Y CB -0.518 37.383 38.460 -0.931 0.000 0.991 137 Y HN 0.087 nan 8.280 nan 0.000 0.545 138 S N -0.703 114.780 115.700 -0.362 0.000 2.368 138 S HA -0.199 4.277 4.470 0.009 0.000 0.224 138 S C 2.278 176.704 174.600 -0.290 0.000 1.029 138 S CA 1.321 59.380 58.200 -0.235 0.000 0.988 138 S CB -0.569 62.550 63.200 -0.135 0.000 0.838 138 S HN 0.640 nan 8.310 nan 0.000 0.462 139 S N 2.420 117.851 115.700 -0.449 0.000 2.419 139 S HA -0.060 4.416 4.470 0.009 0.000 0.233 139 S C 1.589 175.940 174.600 -0.416 0.000 1.016 139 S CA 1.104 59.058 58.200 -0.410 0.000 0.974 139 S CB -0.792 62.027 63.200 -0.635 0.000 0.786 139 S HN 0.726 nan 8.310 nan 0.000 0.492 140 I N -3.251 116.970 120.570 -0.582 0.000 3.904 140 I HA 0.412 4.588 4.170 0.009 0.000 0.333 140 I C -0.353 175.592 176.117 -0.287 0.000 1.361 140 I CA -0.550 60.476 61.300 -0.457 0.000 1.116 140 I CB -0.074 37.545 38.000 -0.635 0.000 1.028 140 I HN -0.129 nan 8.210 nan 0.000 0.398 141 K N 2.221 122.478 120.400 -0.238 0.000 3.096 141 K HA -0.145 4.180 4.320 0.009 0.000 0.266 141 K C -0.154 176.389 176.600 -0.096 0.000 1.043 141 K CA 0.491 56.696 56.287 -0.138 0.000 0.758 141 K CB -1.611 30.828 32.500 -0.101 0.000 1.260 141 K HN 0.582 nan 8.250 nan 0.000 0.481 142 R N -0.614 119.832 120.500 -0.090 0.000 2.668 142 R HA 0.090 4.435 4.340 0.009 0.000 0.435 142 R C 0.020 176.367 176.300 0.078 0.000 1.059 142 R CA -0.299 55.810 56.100 0.016 0.000 1.073 142 R CB 0.935 31.277 30.300 0.070 0.000 1.401 142 R HN 0.170 nan 8.270 nan 0.000 0.590 143 S N -0.251 115.468 115.700 0.031 0.000 2.516 143 S HA 0.341 4.817 4.470 0.009 0.000 0.282 143 S C 1.341 176.063 174.600 0.203 0.000 1.286 143 S CA 1.377 59.655 58.200 0.131 0.000 1.066 143 S CB 0.479 63.714 63.200 0.058 0.000 0.884 143 S HN 0.744 nan 8.310 nan 0.000 0.491 144 G N 3.277 112.292 108.800 0.357 0.000 2.195 144 G HA2 -0.283 3.682 3.960 0.009 0.000 0.246 144 G HA3 -0.283 3.682 3.960 0.009 0.000 0.246 144 G C 0.298 175.207 174.900 0.016 0.000 0.984 144 G CA 0.350 45.486 45.100 0.060 0.000 0.633 144 G HN 1.629 nan 8.290 nan 0.000 0.525 145 S N -0.306 115.434 115.700 0.068 0.000 2.596 145 S HA 0.420 4.895 4.470 0.009 0.000 0.260 145 S C 1.293 175.885 174.600 -0.014 0.000 1.336 145 S CA 0.786 59.004 58.200 0.030 0.000 0.993 145 S CB 1.451 64.689 63.200 0.064 0.000 0.923 145 S HN 0.533 nan 8.310 nan 0.000 0.567 146 Q N 0.888 120.680 119.800 -0.013 0.000 2.096 146 Q HA -0.166 4.179 4.340 0.009 0.000 0.204 146 Q C 2.273 178.249 176.000 -0.040 0.000 0.982 146 Q CA 1.667 57.451 55.803 -0.031 0.000 0.850 146 Q CB -0.764 27.967 28.738 -0.012 0.000 0.901 146 Q HN 0.953 nan 8.270 nan 0.000 0.422 147 A N -0.090 122.729 122.820 -0.003 0.000 1.933 147 A HA -0.246 4.079 4.320 0.009 0.000 0.218 147 A C 1.843 179.309 177.584 -0.197 0.000 1.175 147 A CA 1.720 53.766 52.037 0.016 0.000 0.628 147 A CB -0.979 18.123 19.000 0.170 0.000 0.814 147 A HN 0.701 nan 8.150 nan 0.000 0.444 148 H N -0.737 118.006 119.070 -0.546 0.000 2.293 148 H HA -0.109 4.453 4.556 0.010 0.000 0.300 148 H C 1.906 176.905 175.328 -0.548 0.000 1.082 148 H CA 1.248 56.657 56.048 -1.065 0.000 1.308 148 H CB 0.132 29.491 29.762 -0.670 0.000 1.375 148 H HN 0.416 nan 8.280 nan 0.000 0.495 149 E N 0.668 120.680 120.200 -0.312 0.000 2.150 149 E HA -0.145 4.211 4.350 0.009 0.000 0.193 149 E C 2.066 178.566 176.600 -0.166 0.000 0.985 149 E CA 0.866 57.098 56.400 -0.280 0.000 0.814 149 E CB -0.083 29.489 29.700 -0.213 0.000 0.752 149 E HN 0.699 nan 8.360 nan 0.000 0.466 150 E N 0.528 120.656 120.200 -0.121 0.000 2.106 150 E HA -0.171 4.185 4.350 0.009 0.000 0.192 150 E C 2.167 178.743 176.600 -0.041 0.000 0.984 150 E CA 0.737 57.100 56.400 -0.062 0.000 0.806 150 E CB -0.038 29.646 29.700 -0.028 0.000 0.750 150 E HN -0.067 nan 8.360 nan 0.000 0.458 151 R N 1.385 121.852 120.500 -0.055 0.000 2.075 151 R HA -0.077 4.269 4.340 0.009 0.000 0.232 151 R C 2.089 178.387 176.300 -0.003 0.000 1.126 151 R CA 1.135 57.246 56.100 0.018 0.000 0.963 151 R CB -0.608 29.747 30.300 0.092 0.000 0.858 151 R HN 0.143 nan 8.270 nan 0.000 0.435 152 L N 0.391 121.580 121.223 -0.056 0.000 2.042 152 L HA -0.240 4.105 4.340 0.009 0.000 0.210 152 L C 2.387 179.218 176.870 -0.065 0.000 1.076 152 L CA 1.320 56.120 54.840 -0.065 0.000 0.749 152 L CB -0.529 41.455 42.059 -0.124 0.000 0.893 152 L HN 0.253 nan 8.230 nan 0.000 0.432 153 Q N -0.281 119.482 119.800 -0.062 0.000 2.084 153 Q HA -0.246 4.099 4.340 0.009 0.000 0.202 153 Q C 1.994 177.981 176.000 -0.022 0.000 0.978 153 Q CA 1.468 57.245 55.803 -0.044 0.000 0.844 153 Q CB -0.382 28.331 28.738 -0.041 0.000 0.898 153 Q HN 0.546 nan 8.270 nan 0.000 0.426 154 E N 0.206 120.402 120.200 -0.006 0.000 2.051 154 E HA -0.139 4.216 4.350 0.009 0.000 0.192 154 E C 1.997 178.610 176.600 0.020 0.000 0.991 154 E CA 1.203 57.616 56.400 0.022 0.000 0.799 154 E CB 0.234 29.963 29.700 0.048 0.000 0.748 154 E HN 0.120 nan 8.360 nan 0.000 0.449 155 V N 1.304 121.207 119.914 -0.019 0.000 2.343 155 V HA -0.253 3.872 4.120 0.009 0.000 0.247 155 V C 2.058 178.090 176.094 -0.103 0.000 1.051 155 V CA 2.191 64.425 62.300 -0.110 0.000 1.036 155 V CB -0.507 31.142 31.823 -0.290 0.000 0.654 155 V HN 0.292 nan 8.190 nan 0.000 0.451 156 E N 0.232 120.384 120.200 -0.079 0.000 2.110 156 E HA -0.168 4.188 4.350 0.009 0.000 0.193 156 E C 2.267 178.859 176.600 -0.013 0.000 0.988 156 E CA 1.283 57.652 56.400 -0.051 0.000 0.804 156 E CB -0.316 29.356 29.700 -0.046 0.000 0.745 156 E HN 0.616 nan 8.360 nan 0.000 0.458 157 A N 1.172 123.992 122.820 -0.000 0.000 1.929 157 A HA -0.196 4.130 4.320 0.009 0.000 0.216 157 A C 2.042 179.651 177.584 0.042 0.000 1.176 157 A CA 1.341 53.389 52.037 0.018 0.000 0.628 157 A CB -0.292 18.719 19.000 0.018 0.000 0.816 157 A HN 0.233 nan 8.150 nan 0.000 0.444 158 E N -0.150 120.088 120.200 0.064 0.000 2.106 158 E HA -0.108 4.248 4.350 0.009 0.000 0.192 158 E C 1.674 178.346 176.600 0.119 0.000 0.984 158 E CA 1.320 57.787 56.400 0.111 0.000 0.806 158 E CB -0.052 29.755 29.700 0.179 0.000 0.750 158 E HN 0.297 nan 8.360 nan 0.000 0.458 159 V N 1.028 121.001 119.914 0.099 0.000 2.548 159 V HA -0.163 3.963 4.120 0.009 0.000 0.249 159 V C 2.366 178.496 176.094 0.061 0.000 1.055 159 V CA 1.435 63.792 62.300 0.095 0.000 1.065 159 V CB -0.455 31.409 31.823 0.069 0.000 0.681 159 V HN 0.423 nan 8.190 nan 0.000 0.462 160 A N 0.932 123.778 122.820 0.042 0.000 1.877 160 A HA -0.210 4.116 4.320 0.009 0.000 0.216 160 A C 2.506 180.111 177.584 0.035 0.000 1.186 160 A CA 2.443 54.499 52.037 0.031 0.000 0.620 160 A CB -0.663 18.349 19.000 0.020 0.000 0.822 160 A HN 0.672 nan 8.150 nan 0.000 0.443 161 S N -1.673 114.053 115.700 0.043 0.000 2.478 161 S HA -0.029 4.447 4.470 0.009 0.000 0.222 161 S C 1.544 176.174 174.600 0.050 0.000 1.008 161 S CA 1.435 59.660 58.200 0.042 0.000 0.928 161 S CB -0.421 62.803 63.200 0.040 0.000 0.781 161 S HN 0.799 nan 8.310 nan 0.000 0.518 162 T N -4.027 110.567 114.554 0.066 0.000 2.975 162 T HA 0.537 4.892 4.350 0.009 0.000 0.261 162 T C 1.587 176.328 174.700 0.069 0.000 0.984 162 T CA 0.783 62.927 62.100 0.074 0.000 0.911 162 T CB 0.148 69.079 68.868 0.104 0.000 1.127 162 T HN 1.150 nan 8.240 nan 0.000 0.514 163 G N 0.342 109.183 108.800 0.067 0.000 2.176 163 G HA2 -0.196 3.769 3.960 0.009 0.000 0.253 163 G HA3 -0.196 3.769 3.960 0.009 0.000 0.253 163 G C 0.205 175.146 174.900 0.068 0.000 0.979 163 G CA 0.621 45.754 45.100 0.056 0.000 0.641 163 G HN 1.031 nan 8.290 nan 0.000 0.530 164 T N -1.418 113.194 114.554 0.096 0.000 2.645 164 T HA 0.721 5.077 4.350 0.009 0.000 0.300 164 T C -1.243 173.583 174.700 0.210 0.000 1.210 164 T CA 0.410 62.567 62.100 0.095 0.000 1.034 164 T CB 1.472 70.315 68.868 -0.042 0.000 1.537 164 T HN 1.541 nan 8.240 nan 0.000 0.492 165 Y N -0.780 119.480 120.300 -0.067 0.000 2.725 165 Y HA 0.832 5.388 4.550 0.009 0.000 0.333 165 Y C -1.643 174.166 175.900 -0.151 0.000 1.242 165 Y CA -1.183 56.939 58.100 0.037 0.000 1.059 165 Y CB 0.860 39.357 38.460 0.063 0.000 1.306 165 Y HN 0.759 nan 8.280 nan 0.000 0.454 166 H N 0.633 119.739 119.070 0.060 0.000 2.747 166 H HA 0.649 5.210 4.556 0.009 0.000 0.371 166 H C -1.048 174.340 175.328 0.101 0.000 1.161 166 H CA -0.895 55.131 56.048 -0.037 0.000 1.167 166 H CB 1.977 31.753 29.762 0.023 0.000 1.732 166 H HN 0.737 nan 8.280 nan 0.000 0.544 167 L N 2.014 123.328 121.223 0.151 0.000 2.375 167 L HA 0.480 4.825 4.340 0.009 0.000 0.271 167 L C 0.643 177.593 176.870 0.133 0.000 1.107 167 L CA -0.700 54.248 54.840 0.181 0.000 0.806 167 L CB 0.813 42.951 42.059 0.131 0.000 1.146 167 L HN 0.423 nan 8.230 nan 0.000 0.447 168 R N 0.847 121.400 120.500 0.089 0.000 2.637 168 R HA 0.044 4.389 4.340 0.009 0.000 0.269 168 R C 1.079 177.379 176.300 -0.001 0.000 1.089 168 R CA -0.449 55.672 56.100 0.035 0.000 1.177 168 R CB 0.788 31.086 30.300 -0.004 0.000 1.091 168 R HN 0.665 nan 8.270 nan 0.000 0.540 169 E N 1.041 121.239 120.200 -0.003 0.000 2.049 169 E HA -0.271 4.085 4.350 0.009 0.000 0.198 169 E C 1.560 178.147 176.600 -0.022 0.000 1.007 169 E CA 2.348 58.739 56.400 -0.015 0.000 0.809 169 E CB 0.033 29.730 29.700 -0.006 0.000 0.749 169 E HN 0.678 nan 8.360 nan 0.000 0.450 170 S N 0.026 115.710 115.700 -0.027 0.000 2.419 170 S HA -0.163 4.313 4.470 0.009 0.000 0.233 170 S C 1.710 176.286 174.600 -0.040 0.000 1.016 170 S CA 1.266 59.468 58.200 0.005 0.000 0.974 170 S CB -0.288 62.947 63.200 0.058 0.000 0.786 170 S HN 0.351 nan 8.310 nan 0.000 0.492 171 E N 0.773 120.837 120.200 -0.227 0.000 2.107 171 E HA -0.017 4.339 4.350 0.009 0.000 0.191 171 E C 1.990 178.715 176.600 0.208 0.000 0.982 171 E CA 0.944 57.238 56.400 -0.176 0.000 0.809 171 E CB -0.291 29.321 29.700 -0.147 0.000 0.756 171 E HN 0.440 nan 8.360 nan 0.000 0.459 172 L N 0.823 122.078 121.223 0.053 0.000 2.056 172 L HA -0.131 4.215 4.340 0.009 0.000 0.207 172 L C 2.191 179.044 176.870 -0.028 0.000 1.078 172 L CA 1.319 56.129 54.840 -0.049 0.000 0.749 172 L CB -0.316 41.655 42.059 -0.148 0.000 0.901 172 L HN -0.076 nan 8.230 nan 0.000 0.433 173 V N -0.293 119.634 119.914 0.022 0.000 2.287 173 V HA -0.327 3.799 4.120 0.009 0.000 0.248 173 V C 2.361 178.538 176.094 0.138 0.000 1.053 173 V CA 2.253 64.578 62.300 0.042 0.000 1.027 173 V CB -0.981 30.873 31.823 0.052 0.000 0.646 173 V HN 0.575 nan 8.190 nan 0.000 0.447 174 F N 2.066 122.088 119.950 0.121 0.000 2.102 174 F HA -0.057 4.475 4.527 0.008 0.000 0.298 174 F C 2.173 178.103 175.800 0.216 0.000 1.105 174 F CA 1.773 59.897 58.000 0.207 0.000 1.239 174 F CB -0.980 38.212 39.000 0.320 0.000 0.991 174 F HN 0.121 nan 8.300 nan 0.000 0.474 175 G N -0.247 108.607 108.800 0.090 0.000 2.418 175 G HA2 -0.207 3.759 3.960 0.009 0.000 0.217 175 G HA3 -0.207 3.759 3.960 0.009 0.000 0.217 175 G C 1.817 176.562 174.900 -0.259 0.000 1.158 175 G CA 0.865 45.900 45.100 -0.109 0.000 0.771 175 G HN 0.652 nan 8.290 nan 0.000 0.545 176 A N 0.801 123.507 122.820 -0.190 0.000 1.902 176 A HA 0.017 4.343 4.320 0.009 0.000 0.217 176 A C 2.309 179.865 177.584 -0.046 0.000 1.181 176 A CA 1.919 53.850 52.037 -0.177 0.000 0.623 176 A CB -0.329 18.605 19.000 -0.111 0.000 0.818 176 A HN 0.374 nan 8.150 nan 0.000 0.443 177 K N -0.766 119.652 120.400 0.030 0.000 2.057 177 K HA -0.127 4.199 4.320 0.009 0.000 0.206 177 K C 2.277 178.931 176.600 0.091 0.000 1.050 177 K CA 1.278 57.694 56.287 0.214 0.000 0.935 177 K CB -0.138 32.535 32.500 0.287 0.000 0.715 177 K HN 0.373 nan 8.250 nan 0.000 0.439 178 Q N 0.220 119.887 119.800 -0.221 0.000 2.124 178 Q HA -0.085 4.261 4.340 0.009 0.000 0.202 178 Q C 2.171 178.005 176.000 -0.277 0.000 0.977 178 Q CA 1.465 57.043 55.803 -0.375 0.000 0.850 178 Q CB -0.272 28.115 28.738 -0.584 0.000 0.901 178 Q HN 0.322 nan 8.270 nan 0.000 0.429 179 A N 0.179 122.816 122.820 -0.305 0.000 1.902 179 A HA -0.189 4.136 4.320 0.009 0.000 0.217 179 A C 1.820 179.349 177.584 -0.091 0.000 1.181 179 A CA 1.432 53.202 52.037 -0.445 0.000 0.623 179 A CB -0.934 17.403 19.000 -1.105 0.000 0.818 179 A HN 0.535 nan 8.150 nan 0.000 0.443 180 W N 0.899 122.161 121.300 -0.062 0.000 2.379 180 W HA -0.101 4.563 4.660 0.007 0.000 0.307 180 W C 2.344 178.835 176.519 -0.047 0.000 1.200 180 W CA 1.456 58.855 57.345 0.090 0.000 1.297 180 W CB -0.723 28.801 29.460 0.107 0.000 1.140 180 W HN 0.369 nan 8.180 nan 0.000 0.507 181 R N 0.400 120.838 120.500 -0.103 0.000 2.105 181 R HA -0.197 4.148 4.340 0.009 0.000 0.239 181 R C 1.568 177.707 176.300 -0.268 0.000 1.135 181 R CA 1.890 57.708 56.100 -0.470 0.000 0.967 181 R CB -0.576 29.124 30.300 -1.001 0.000 0.861 181 R HN 0.096 nan 8.270 nan 0.000 0.442 182 N N 0.354 118.945 118.700 -0.183 0.000 2.467 182 N HA 0.010 4.755 4.740 0.009 0.000 0.184 182 N C -0.298 175.160 175.510 -0.086 0.000 1.106 182 N CA 0.687 53.652 53.050 -0.142 0.000 0.892 182 N CB 0.317 38.717 38.487 -0.144 0.000 0.969 182 N HN 0.180 nan 8.380 nan 0.000 0.454 183 A N 2.135 124.956 122.820 0.002 0.000 2.489 183 A HA 0.202 4.528 4.320 0.009 0.000 0.289 183 A C -1.228 176.340 177.584 -0.027 0.000 1.216 183 A CA -0.895 51.150 52.037 0.013 0.000 0.883 183 A CB 0.227 19.299 19.000 0.120 0.000 1.110 183 A HN 0.022 nan 8.150 nan 0.000 0.523 184 P HA -0.126 nan 4.420 nan 0.000 0.219 184 P C 1.072 178.322 177.300 -0.083 0.000 1.146 184 P CA 1.153 64.193 63.100 -0.099 0.000 0.808 184 P CB 0.155 31.760 31.700 -0.158 0.000 0.779 185 R N -2.133 118.282 120.500 -0.141 0.000 2.317 185 R HA 0.150 4.496 4.340 0.009 0.000 0.208 185 R C 0.224 176.520 176.300 -0.006 0.000 0.914 185 R CA -0.137 55.893 56.100 -0.116 0.000 1.060 185 R CB -0.411 29.627 30.300 -0.437 0.000 1.015 185 R HN 0.178 nan 8.270 nan 0.000 0.498 186 C N 0.616 119.908 119.300 -0.012 0.000 2.265 186 C HA 0.225 4.691 4.460 0.009 0.000 0.332 186 C C 1.847 176.792 174.990 -0.076 0.000 1.248 186 C CA -0.667 58.369 59.018 0.029 0.000 1.727 186 C CB 0.555 28.390 27.740 0.159 0.000 2.348 186 C HN 0.285 nan 8.230 nan 0.000 0.519 187 V N 6.017 125.835 119.914 -0.160 0.000 3.461 187 V HA 0.215 4.340 4.120 0.009 0.000 0.267 187 V C 1.733 177.835 176.094 0.013 0.000 1.186 187 V CA 2.034 64.120 62.300 -0.356 0.000 1.154 187 V CB -0.120 31.525 31.823 -0.297 0.000 0.802 187 V HN 1.070 nan 8.190 nan 0.000 0.474 188 G N -0.623 108.229 108.800 0.088 0.000 3.371 188 G HA2 0.063 4.029 3.960 0.009 0.000 0.248 188 G HA3 0.063 4.029 3.960 0.009 0.000 0.248 188 G C 1.194 176.149 174.900 0.092 0.000 1.161 188 G CA -0.357 44.819 45.100 0.125 0.000 0.796 188 G HN 0.430 nan 8.290 nan 0.000 0.539 189 R N -0.149 120.333 120.500 -0.031 0.000 2.341 189 R HA 0.107 4.453 4.340 0.009 0.000 0.213 189 R C 1.987 177.897 176.300 -0.650 0.000 1.082 189 R CA 0.167 55.971 56.100 -0.493 0.000 1.017 189 R CB -0.152 29.806 30.300 -0.569 0.000 0.860 189 R HN 0.465 nan 8.270 nan 0.000 0.473 190 I N 0.851 121.221 120.570 -0.334 0.000 2.567 190 I HA -0.243 3.932 4.170 0.009 0.000 0.257 190 I C 1.300 177.345 176.117 -0.121 0.000 1.184 190 I CA 1.276 62.532 61.300 -0.074 0.000 1.451 190 I CB 0.167 38.211 38.000 0.073 0.000 1.089 190 I HN 0.200 nan 8.210 nan 0.000 0.441 191 Q N 0.592 120.260 119.800 -0.220 0.000 2.403 191 Q HA -0.110 4.235 4.340 0.009 0.000 0.203 191 Q C 1.655 177.235 176.000 -0.699 0.000 0.932 191 Q CA 0.470 56.120 55.803 -0.254 0.000 0.945 191 Q CB -0.228 28.519 28.738 0.015 0.000 1.045 191 Q HN 0.794 nan 8.270 nan 0.000 0.511 192 W N 0.273 120.872 121.300 -1.167 0.000 2.313 192 W HA -0.158 4.509 4.660 0.012 0.000 0.293 192 W C 1.194 177.404 176.519 -0.514 0.000 1.216 192 W CA 1.261 57.772 57.345 -1.391 0.000 1.223 192 W CB -1.295 27.557 29.460 -1.013 0.000 1.138 192 W HN 0.082 nan 8.180 nan 0.000 0.535 193 G N 1.130 109.159 108.800 -1.284 0.000 2.598 193 G HA2 -0.182 3.784 3.960 0.009 0.000 0.215 193 G HA3 -0.182 3.784 3.960 0.009 0.000 0.215 193 G C 0.816 175.469 174.900 -0.412 0.000 1.131 193 G CA 0.091 44.544 45.100 -1.079 0.000 0.785 193 G HN 0.259 nan 8.290 nan 0.000 0.539 194 K N 0.189 120.450 120.400 -0.232 0.000 2.423 194 K HA 0.518 4.844 4.320 0.009 0.000 0.234 194 K C -1.668 175.037 176.600 0.175 0.000 1.051 194 K CA -0.672 55.605 56.287 -0.017 0.000 1.021 194 K CB 0.381 32.899 32.500 0.030 0.000 1.474 194 K HN 0.072 nan 8.250 nan 0.000 0.474 195 L N 3.082 124.390 121.223 0.143 0.000 2.476 195 L HA 0.328 4.673 4.340 0.009 0.000 0.269 195 L C -1.331 175.532 176.870 -0.012 0.000 0.965 195 L CA -0.413 54.530 54.840 0.172 0.000 0.845 195 L CB 1.929 44.172 42.059 0.307 0.000 1.259 195 L HN 0.436 nan 8.230 nan 0.000 0.403 196 Q N 3.460 123.191 119.800 -0.114 0.000 2.307 196 Q HA 0.471 4.816 4.340 0.009 0.000 0.259 196 Q C -1.535 174.141 176.000 -0.540 0.000 0.998 196 Q CA -0.056 55.511 55.803 -0.395 0.000 0.923 196 Q CB 1.139 29.526 28.738 -0.584 0.000 1.196 196 Q HN 0.519 nan 8.270 nan 0.000 0.416 197 V N 6.604 126.234 119.914 -0.474 0.000 2.318 197 V HA 0.325 4.450 4.120 0.009 0.000 0.271 197 V C -0.606 175.221 176.094 -0.446 0.000 1.030 197 V CA -0.521 61.557 62.300 -0.371 0.000 0.844 197 V CB -0.127 31.577 31.823 -0.199 0.000 1.015 197 V HN 0.635 nan 8.190 nan 0.000 0.460 198 F N 2.777 122.579 119.950 -0.245 0.000 2.421 198 F HA 0.322 4.852 4.527 0.005 0.000 0.358 198 F C 0.729 176.344 175.800 -0.308 0.000 1.115 198 F CA -0.768 57.076 58.000 -0.260 0.000 1.160 198 F CB 0.698 39.538 39.000 -0.267 0.000 1.123 198 F HN 0.394 nan 8.300 nan 0.000 0.508 199 D N 3.413 123.768 120.400 -0.076 0.000 2.365 199 D HA 0.370 5.016 4.640 0.009 0.000 0.237 199 D C 0.031 176.160 176.300 -0.285 0.000 1.190 199 D CA 0.105 53.997 54.000 -0.179 0.000 0.867 199 D CB 1.110 41.848 40.800 -0.103 0.000 1.050 199 D HN 0.617 nan 8.370 nan 0.000 0.491 200 A N 4.564 127.062 122.820 -0.537 0.000 2.701 200 A HA 0.158 4.483 4.320 0.009 0.000 0.297 200 A C 1.433 178.771 177.584 -0.409 0.000 1.197 200 A CA -0.404 51.118 52.037 -0.858 0.000 0.963 200 A CB 0.030 17.998 19.000 -1.720 0.000 1.175 200 A HN 0.509 nan 8.150 nan 0.000 0.531 201 R N 0.571 120.942 120.500 -0.214 0.000 2.339 201 R HA -0.055 4.290 4.340 0.009 0.000 0.199 201 R C 0.464 176.753 176.300 -0.017 0.000 1.018 201 R CA 1.084 57.132 56.100 -0.086 0.000 1.036 201 R CB 0.092 30.391 30.300 -0.002 0.000 0.899 201 R HN 0.669 nan 8.270 nan 0.000 0.473 202 D N -1.106 119.303 120.400 0.015 0.000 2.379 202 D HA -0.051 4.594 4.640 0.009 0.000 0.208 202 D C 0.363 176.758 176.300 0.159 0.000 1.065 202 D CA -0.344 53.712 54.000 0.094 0.000 0.848 202 D CB -0.526 40.346 40.800 0.118 0.000 0.949 202 D HN -0.040 nan 8.370 nan 0.000 0.509 203 C N 2.035 121.435 119.300 0.167 0.000 2.596 203 C HA 0.299 4.764 4.460 0.009 0.000 0.414 203 C C 1.563 176.742 174.990 0.315 0.000 1.396 203 C CA 0.725 59.918 59.018 0.291 0.000 1.698 203 C CB -0.771 27.173 27.740 0.341 0.000 2.572 203 C HN 0.469 nan 8.230 nan 0.000 0.604 204 S N 2.574 118.471 115.700 0.328 0.000 2.846 204 S HA 0.368 4.843 4.470 0.009 0.000 0.249 204 S C -0.141 174.600 174.600 0.235 0.000 1.028 204 S CA 0.191 58.585 58.200 0.323 0.000 1.043 204 S CB -0.219 63.105 63.200 0.207 0.000 0.990 204 S HN 1.311 nan 8.310 nan 0.000 0.564 205 S N -0.548 115.296 115.700 0.240 0.000 2.587 205 S HA 0.781 5.256 4.470 0.009 0.000 0.269 205 S C 0.723 175.389 174.600 0.110 0.000 1.154 205 S CA -0.325 57.953 58.200 0.129 0.000 0.824 205 S CB 0.820 64.085 63.200 0.108 0.000 1.118 205 S HN 0.567 nan 8.310 nan 0.000 0.462 206 A N 0.738 123.597 122.820 0.065 0.000 1.930 206 A HA -0.047 4.279 4.320 0.009 0.000 0.217 206 A C 2.100 179.650 177.584 -0.056 0.000 1.175 206 A CA 2.151 54.207 52.037 0.032 0.000 0.627 206 A CB -1.165 17.918 19.000 0.139 0.000 0.815 206 A HN 0.927 nan 8.150 nan 0.000 0.443 207 Q N 0.340 120.205 119.800 0.107 0.000 2.084 207 Q HA -0.196 4.149 4.340 0.009 0.000 0.202 207 Q C 1.862 177.869 176.000 0.013 0.000 0.978 207 Q CA 2.338 58.197 55.803 0.093 0.000 0.844 207 Q CB -0.385 28.480 28.738 0.211 0.000 0.898 207 Q HN 0.752 nan 8.270 nan 0.000 0.426 208 E N -0.922 119.315 120.200 0.062 0.000 2.152 208 E HA -0.142 4.213 4.350 0.009 0.000 0.192 208 E C 1.846 178.538 176.600 0.155 0.000 0.983 208 E CA 0.936 57.386 56.400 0.085 0.000 0.818 208 E CB -0.070 29.721 29.700 0.152 0.000 0.758 208 E HN 0.471 nan 8.360 nan 0.000 0.467 209 M N -0.216 119.435 119.600 0.085 0.000 2.117 209 M HA -0.123 4.362 4.480 0.009 0.000 0.262 209 M C 2.099 178.434 176.300 0.059 0.000 1.065 209 M CA 1.401 56.709 55.300 0.014 0.000 1.114 209 M CB -0.319 32.081 32.600 -0.332 0.000 1.361 209 M HN 0.220 nan 8.290 nan 0.000 0.408 210 F N 0.894 120.634 119.950 -0.349 0.000 2.134 210 F HA -0.233 4.301 4.527 0.012 0.000 0.299 210 F C 2.246 177.946 175.800 -0.167 0.000 1.097 210 F CA 1.605 59.360 58.000 -0.409 0.000 1.264 210 F CB -0.095 38.374 39.000 -0.885 0.000 1.001 210 F HN 0.050 nan 8.300 nan 0.000 0.479 211 T N -0.454 113.984 114.554 -0.194 0.000 2.708 211 T HA -0.245 4.111 4.350 0.009 0.000 0.266 211 T C 1.579 176.133 174.700 -0.243 0.000 1.037 211 T CA 1.878 63.810 62.100 -0.281 0.000 1.146 211 T CB -0.788 67.945 68.868 -0.225 0.000 0.865 211 T HN 0.370 nan 8.240 nan 0.000 0.435 212 Y N 0.835 121.093 120.300 -0.071 0.000 2.181 212 Y HA -0.067 4.487 4.550 0.008 0.000 0.288 212 Y C 2.312 178.160 175.900 -0.086 0.000 1.146 212 Y CA 0.788 58.853 58.100 -0.059 0.000 1.164 212 Y CB -0.324 38.207 38.460 0.119 0.000 0.982 212 Y HN 0.161 nan 8.280 nan 0.000 0.515 213 I N -1.500 119.148 120.570 0.130 0.000 2.226 213 I HA -0.353 3.822 4.170 0.009 0.000 0.245 213 I C 2.283 178.323 176.117 -0.127 0.000 1.100 213 I CA 0.893 62.203 61.300 0.015 0.000 1.374 213 I CB -0.480 37.531 38.000 0.018 0.000 1.057 213 I HN 0.319 nan 8.210 nan 0.000 0.413 214 C N 0.679 119.785 119.300 -0.324 0.000 2.425 214 C HA -0.116 4.349 4.460 0.009 0.000 0.277 214 C C 2.612 177.496 174.990 -0.176 0.000 1.280 214 C CA 0.774 59.590 59.018 -0.335 0.000 1.744 214 C CB -1.373 26.032 27.740 -0.558 0.000 1.989 214 C HN 0.542 nan 8.230 nan 0.000 0.491 215 N N -0.124 118.467 118.700 -0.181 0.000 2.188 215 N HA -0.120 4.625 4.740 0.009 0.000 0.184 215 N C 1.446 176.876 175.510 -0.133 0.000 1.018 215 N CA 1.275 54.220 53.050 -0.175 0.000 0.858 215 N CB -0.747 37.577 38.487 -0.271 0.000 0.989 215 N HN 0.751 nan 8.380 nan 0.000 0.426 216 H N 0.670 119.597 119.070 -0.240 0.000 2.290 216 H HA 0.037 4.600 4.556 0.011 0.000 0.298 216 H C 2.122 177.479 175.328 0.048 0.000 1.087 216 H CA 1.593 57.568 56.048 -0.123 0.000 1.291 216 H CB -0.054 29.672 29.762 -0.060 0.000 1.369 216 H HN 0.078 nan 8.280 nan 0.000 0.492 217 I N 0.712 121.424 120.570 0.237 0.000 2.208 217 I HA -0.286 3.890 4.170 0.009 0.000 0.245 217 I C 2.379 178.575 176.117 0.133 0.000 1.097 217 I CA 1.499 62.896 61.300 0.162 0.000 1.363 217 I CB -0.265 37.749 38.000 0.023 0.000 1.051 217 I HN 0.345 nan 8.210 nan 0.000 0.413 218 K N -0.122 120.326 120.400 0.080 0.000 2.025 218 K HA -0.225 4.101 4.320 0.009 0.000 0.207 218 K C 2.234 178.895 176.600 0.102 0.000 1.049 218 K CA 1.659 57.982 56.287 0.061 0.000 0.933 218 K CB -0.411 32.101 32.500 0.020 0.000 0.714 218 K HN 0.246 nan 8.250 nan 0.000 0.438 219 Y N 1.549 121.874 120.300 0.041 0.000 2.114 219 Y HA -0.239 4.313 4.550 0.004 0.000 0.284 219 Y C 2.270 178.239 175.900 0.115 0.000 1.143 219 Y CA 1.557 59.715 58.100 0.096 0.000 1.135 219 Y CB -0.395 38.179 38.460 0.190 0.000 0.980 219 Y HN 0.044 nan 8.280 nan 0.000 0.499 220 A N -0.791 122.237 122.820 0.348 0.000 1.902 220 A HA -0.171 4.155 4.320 0.009 0.000 0.217 220 A C 2.210 179.883 177.584 0.149 0.000 1.181 220 A CA 2.278 54.476 52.037 0.268 0.000 0.623 220 A CB -1.300 17.905 19.000 0.342 0.000 0.818 220 A HN 0.524 nan 8.150 nan 0.000 0.443 221 T N -0.309 114.321 114.554 0.126 0.000 2.737 221 T HA -0.096 4.259 4.350 0.009 0.000 0.265 221 T C 1.090 175.808 174.700 0.029 0.000 1.038 221 T CA 1.218 63.373 62.100 0.092 0.000 1.144 221 T CB -0.413 68.503 68.868 0.081 0.000 0.866 221 T HN 0.653 nan 8.240 nan 0.000 0.434 222 N N 1.103 119.791 118.700 -0.020 0.000 2.707 222 N HA -0.255 4.490 4.740 0.009 0.000 0.253 222 N C -0.166 175.320 175.510 -0.040 0.000 0.998 222 N CA 0.569 53.578 53.050 -0.069 0.000 0.751 222 N CB -1.316 37.089 38.487 -0.137 0.000 0.920 222 N HN 0.486 nan 8.380 nan 0.000 0.539 223 R N -2.270 118.218 120.500 -0.020 0.000 3.741 223 R HA -0.222 4.124 4.340 0.009 0.000 0.292 223 R C 1.289 177.575 176.300 -0.022 0.000 1.176 223 R CA 1.252 57.340 56.100 -0.020 0.000 0.794 223 R CB -1.850 28.433 30.300 -0.027 0.000 1.213 223 R HN 0.968 nan 8.270 nan 0.000 0.494 224 G N -0.536 108.259 108.800 -0.008 0.000 2.278 224 G HA2 -0.296 3.670 3.960 0.009 0.000 0.210 224 G HA3 -0.296 3.670 3.960 0.009 0.000 0.210 224 G C -0.087 174.805 174.900 -0.014 0.000 1.000 224 G CA -0.013 45.081 45.100 -0.009 0.000 0.635 224 G HN 0.340 nan 8.290 nan 0.000 0.495 225 N N 1.464 120.143 118.700 -0.034 0.000 3.229 225 N HA 0.496 5.242 4.740 0.009 0.000 0.275 225 N C 0.374 175.861 175.510 -0.038 0.000 1.225 225 N CA -0.485 52.527 53.050 -0.063 0.000 1.119 225 N CB -0.229 38.214 38.487 -0.073 0.000 1.392 225 N HN 0.207 nan 8.380 nan 0.000 0.520 226 L N 1.754 122.985 121.223 0.014 0.000 2.543 226 L HA 0.073 4.418 4.340 0.009 0.000 0.285 226 L C 0.820 177.817 176.870 0.211 0.000 1.236 226 L CA 1.028 55.952 54.840 0.141 0.000 0.871 226 L CB 0.152 42.387 42.059 0.292 0.000 1.121 226 L HN 0.340 nan 8.230 nan 0.000 0.501 227 R N 1.457 122.101 120.500 0.240 0.000 2.513 227 R HA 0.427 4.773 4.340 0.009 0.000 0.301 227 R C -0.604 175.886 176.300 0.317 0.000 0.968 227 R CA -0.666 55.604 56.100 0.283 0.000 0.872 227 R CB 1.659 32.025 30.300 0.111 0.000 1.177 227 R HN 0.580 nan 8.270 nan 0.000 0.444 228 S N 1.526 117.410 115.700 0.306 0.000 2.549 228 S HA 0.437 4.913 4.470 0.009 0.000 0.286 228 S C -0.190 174.463 174.600 0.089 0.000 1.314 228 S CA -0.122 58.147 58.200 0.116 0.000 1.062 228 S CB 1.124 64.348 63.200 0.041 0.000 0.865 228 S HN 0.709 nan 8.310 nan 0.000 0.498 229 A N 2.582 125.411 122.820 0.014 0.000 2.612 229 A HA 0.807 5.133 4.320 0.009 0.000 0.293 229 A C -1.318 176.270 177.584 0.007 0.000 1.075 229 A CA -0.661 51.317 52.037 -0.098 0.000 0.680 229 A CB 1.153 20.018 19.000 -0.225 0.000 1.279 229 A HN 0.794 nan 8.150 nan 0.000 0.411 230 I N 0.366 120.930 120.570 -0.010 0.000 2.722 230 I HA 0.657 4.832 4.170 0.009 0.000 0.295 230 I C -1.167 175.027 176.117 0.128 0.000 1.161 230 I CA -0.151 61.261 61.300 0.187 0.000 1.032 230 I CB 2.430 40.507 38.000 0.129 0.000 1.244 230 I HN 0.609 nan 8.210 nan 0.000 0.421 231 T N 6.209 120.869 114.554 0.176 0.000 2.786 231 T HA 0.469 4.825 4.350 0.009 0.000 0.283 231 T C -0.789 173.690 174.700 -0.368 0.000 0.992 231 T CA -0.362 61.686 62.100 -0.087 0.000 0.954 231 T CB 1.555 70.354 68.868 -0.115 0.000 0.934 231 T HN 0.264 nan 8.240 nan 0.000 0.440 232 V N 5.036 124.666 119.914 -0.473 0.000 2.347 232 V HA 0.498 4.624 4.120 0.009 0.000 0.280 232 V C -0.492 175.271 176.094 -0.552 0.000 1.021 232 V CA -0.796 61.233 62.300 -0.451 0.000 0.847 232 V CB 0.212 31.750 31.823 -0.476 0.000 0.990 232 V HN 0.712 nan 8.190 nan 0.000 0.444 233 F N 5.016 124.868 119.950 -0.163 0.000 2.380 233 F HA 0.535 5.068 4.527 0.011 0.000 0.319 233 F C -1.844 173.818 175.800 -0.229 0.000 1.113 233 F CA -2.577 55.238 58.000 -0.308 0.000 1.056 233 F CB 0.281 39.079 39.000 -0.336 0.000 1.289 233 F HN 0.289 nan 8.300 nan 0.000 0.515 234 P HA -0.035 nan 4.420 nan 0.000 0.263 234 P C -0.917 176.379 177.300 -0.007 0.000 1.175 234 P CA 0.010 63.008 63.100 -0.170 0.000 0.761 234 P CB 0.197 31.683 31.700 -0.357 0.000 0.794 235 Q N 3.327 123.077 119.800 -0.084 0.000 2.535 235 Q HA 0.188 4.533 4.340 0.009 0.000 0.228 235 Q C -0.225 175.668 176.000 -0.179 0.000 1.062 235 Q CA -0.369 55.166 55.803 -0.447 0.000 0.967 235 Q CB 0.539 28.726 28.738 -0.918 0.000 1.273 235 Q HN 0.327 nan 8.270 nan 0.000 0.554 236 R N -0.242 120.131 120.500 -0.213 0.000 2.641 236 R HA 0.530 4.876 4.340 0.009 0.000 0.269 236 R C -0.742 175.500 176.300 -0.097 0.000 1.074 236 R CA 0.262 56.311 56.100 -0.084 0.000 1.133 236 R CB 0.811 31.058 30.300 -0.089 0.000 1.029 236 R HN 0.726 nan 8.270 nan 0.000 0.488 237 A N 2.990 125.792 122.820 -0.031 0.000 2.486 237 A HA 0.527 4.853 4.320 0.009 0.000 0.300 237 A C -2.595 174.984 177.584 -0.009 0.000 1.048 237 A CA -1.870 50.154 52.037 -0.023 0.000 0.696 237 A CB 1.470 20.481 19.000 0.018 0.000 1.278 237 A HN 0.423 nan 8.150 nan 0.000 0.405 238 P HA 0.285 nan 4.420 nan 0.000 0.265 238 P C 1.238 178.541 177.300 0.005 0.000 1.187 238 P CA 2.030 65.128 63.100 -0.003 0.000 0.766 238 P CB 0.661 32.361 31.700 0.001 0.000 0.820 239 G N 1.606 110.408 108.800 0.003 0.000 2.322 239 G HA2 -0.319 3.647 3.960 0.009 0.000 0.264 239 G HA3 -0.319 3.647 3.960 0.009 0.000 0.264 239 G C 0.486 175.390 174.900 0.007 0.000 0.992 239 G CA 0.204 45.308 45.100 0.006 0.000 0.624 239 G HN 0.733 nan 8.290 nan 0.000 0.543 240 R N 1.234 121.738 120.500 0.008 0.000 2.474 240 R HA 0.548 4.894 4.340 0.009 0.000 0.295 240 R C 0.921 177.221 176.300 0.000 0.000 0.980 240 R CA 0.139 56.243 56.100 0.007 0.000 0.934 240 R CB 0.735 31.047 30.300 0.020 0.000 1.101 240 R HN 0.302 nan 8.270 nan 0.000 0.469 241 G N 2.158 110.949 108.800 -0.015 0.000 2.614 241 G HA2 0.013 3.978 3.960 0.009 0.000 0.239 241 G HA3 0.013 3.978 3.960 0.009 0.000 0.239 241 G C -0.521 174.364 174.900 -0.025 0.000 1.240 241 G CA -0.371 44.716 45.100 -0.022 0.000 0.842 241 G HN 0.617 nan 8.290 nan 0.000 0.584 242 D N -0.416 119.986 120.400 0.002 0.000 2.312 242 D HA 0.323 4.969 4.640 0.009 0.000 0.248 242 D C -0.247 176.081 176.300 0.047 0.000 1.086 242 D CA 0.036 54.073 54.000 0.062 0.000 0.948 242 D CB 1.103 41.945 40.800 0.069 0.000 1.162 242 D HN 0.104 nan 8.370 nan 0.000 0.446 243 F N 1.321 121.297 119.950 0.043 0.000 2.410 243 F HA 0.320 4.853 4.527 0.011 0.000 0.348 243 F C 1.012 176.843 175.800 0.052 0.000 1.106 243 F CA 0.043 58.058 58.000 0.025 0.000 1.163 243 F CB 0.678 39.688 39.000 0.017 0.000 1.129 243 F HN -0.187 nan 8.300 nan 0.000 0.516 244 R N 3.705 124.333 120.500 0.212 0.000 2.668 244 R HA 0.516 4.861 4.340 0.009 0.000 0.272 244 R C -1.356 175.098 176.300 0.257 0.000 1.019 244 R CA -0.857 55.381 56.100 0.229 0.000 0.894 244 R CB 2.243 32.685 30.300 0.238 0.000 1.228 244 R HN 0.622 nan 8.270 nan 0.000 0.460 245 I N 1.935 122.649 120.570 0.240 0.000 2.355 245 I HA 0.176 4.351 4.170 0.009 0.000 0.288 245 I C 0.459 176.791 176.117 0.358 0.000 0.999 245 I CA -0.436 61.002 61.300 0.230 0.000 1.163 245 I CB 1.282 39.361 38.000 0.131 0.000 1.316 245 I HN 0.532 nan 8.210 nan 0.000 0.454 246 W N 3.501 124.851 121.300 0.083 0.000 2.388 246 W HA -0.083 4.583 4.660 0.009 0.000 0.294 246 W C 0.969 177.599 176.519 0.185 0.000 1.212 246 W CA 0.177 57.639 57.345 0.196 0.000 1.271 246 W CB -0.807 28.750 29.460 0.161 0.000 1.126 246 W HN 0.399 nan 8.180 nan 0.000 0.535 247 N N 0.142 119.012 118.700 0.283 0.000 2.492 247 N HA 0.008 4.754 4.740 0.009 0.000 0.260 247 N C 1.322 176.899 175.510 0.111 0.000 1.215 247 N CA 0.861 53.996 53.050 0.142 0.000 0.923 247 N CB 0.738 39.242 38.487 0.030 0.000 1.092 247 N HN -0.082 nan 8.380 nan 0.000 0.448 248 S N 0.900 116.656 115.700 0.094 0.000 2.406 248 S HA -0.059 4.417 4.470 0.009 0.000 0.228 248 S C 0.374 174.972 174.600 -0.003 0.000 1.020 248 S CA 0.739 58.980 58.200 0.068 0.000 0.965 248 S CB 0.054 63.313 63.200 0.098 0.000 0.798 248 S HN 0.652 nan 8.310 nan 0.000 0.488 249 Q N -0.774 119.009 119.800 -0.030 0.000 2.456 249 Q HA 0.508 4.853 4.340 0.009 0.000 0.283 249 Q C 0.204 176.118 176.000 -0.144 0.000 1.084 249 Q CA -0.569 55.176 55.803 -0.098 0.000 0.801 249 Q CB 1.949 30.657 28.738 -0.050 0.000 1.434 249 Q HN 0.131 nan 8.270 nan 0.000 0.419 250 L N 0.150 121.258 121.223 -0.191 0.000 2.201 250 L HA 0.037 4.382 4.340 0.009 0.000 0.212 250 L C 0.318 177.028 176.870 -0.267 0.000 1.105 250 L CA 0.760 55.485 54.840 -0.191 0.000 0.775 250 L CB 0.206 42.146 42.059 -0.198 0.000 0.913 250 L HN 0.250 nan 8.230 nan 0.000 0.440 251 V N 0.865 120.521 119.914 -0.430 0.000 2.444 251 V HA 0.490 4.615 4.120 0.009 0.000 0.294 251 V C -0.309 175.298 176.094 -0.812 0.000 1.022 251 V CA -0.701 61.160 62.300 -0.733 0.000 0.850 251 V CB 1.734 32.836 31.823 -1.202 0.000 0.992 251 V HN 0.148 nan 8.190 nan 0.000 0.426 252 R N 2.861 123.014 120.500 -0.579 0.000 2.651 252 R HA 0.493 4.838 4.340 0.009 0.000 0.278 252 R C -1.821 174.295 176.300 -0.306 0.000 1.010 252 R CA -0.769 55.124 56.100 -0.345 0.000 0.896 252 R CB 2.423 32.634 30.300 -0.149 0.000 1.211 252 R HN 0.578 nan 8.270 nan 0.000 0.456 253 Y N 0.487 120.786 120.300 -0.002 0.000 2.308 253 Y HA 0.423 4.979 4.550 0.010 0.000 0.329 253 Y C 0.979 176.840 175.900 -0.064 0.000 1.111 253 Y CA -0.589 57.518 58.100 0.011 0.000 1.179 253 Y CB 1.250 39.786 38.460 0.126 0.000 1.201 253 Y HN 0.689 nan 8.280 nan 0.000 0.483 254 A N 1.877 124.719 122.820 0.037 0.000 2.483 254 A HA 0.490 4.815 4.320 0.009 0.000 0.238 254 A C 0.666 178.012 177.584 -0.397 0.000 1.070 254 A CA 0.362 52.248 52.037 -0.251 0.000 0.770 254 A CB -0.277 18.480 19.000 -0.405 0.000 1.008 254 A HN 0.959 nan 8.150 nan 0.000 0.497 255 G N 0.854 109.410 108.800 -0.406 0.000 2.744 255 G HA2 0.533 4.499 3.960 0.009 0.000 0.309 255 G HA3 0.533 4.499 3.960 0.009 0.000 0.309 255 G C -0.945 173.804 174.900 -0.253 0.000 1.328 255 G CA -0.278 44.650 45.100 -0.287 0.000 1.034 255 G HN 0.569 nan 8.290 nan 0.000 0.518 256 Y N 1.733 122.048 120.300 0.025 0.000 2.367 256 Y HA 0.434 4.990 4.550 0.009 0.000 0.342 256 Y C 0.979 176.880 175.900 0.002 0.000 0.979 256 Y CA -1.092 57.023 58.100 0.025 0.000 1.161 256 Y CB 1.290 39.761 38.460 0.019 0.000 1.155 256 Y HN 0.433 nan 8.280 nan 0.000 0.503 257 R N 2.958 123.548 120.500 0.150 0.000 2.489 257 R HA 0.082 4.428 4.340 0.009 0.000 0.287 257 R C -0.362 175.982 176.300 0.073 0.000 1.053 257 R CA 0.053 56.202 56.100 0.082 0.000 1.036 257 R CB 0.311 30.647 30.300 0.060 0.000 0.966 257 R HN 0.567 nan 8.270 nan 0.000 0.432 258 Q N 2.418 122.246 119.800 0.046 0.000 2.195 258 Q HA 0.116 4.461 4.340 0.009 0.000 0.250 258 Q C 0.610 176.619 176.000 0.015 0.000 0.988 258 Q CA -0.646 55.173 55.803 0.028 0.000 0.911 258 Q CB 1.141 29.891 28.738 0.021 0.000 1.258 258 Q HN 0.545 nan 8.270 nan 0.000 0.475 259 Q N 0.669 120.472 119.800 0.005 0.000 2.170 259 Q HA -0.170 4.176 4.340 0.009 0.000 0.203 259 Q C 0.849 176.850 176.000 0.003 0.000 0.976 259 Q CA 1.912 57.716 55.803 0.001 0.000 0.858 259 Q CB -0.185 28.549 28.738 -0.006 0.000 0.907 259 Q HN 0.663 nan 8.270 nan 0.000 0.433 260 D N -2.134 118.268 120.400 0.004 0.000 2.340 260 D HA 0.164 4.810 4.640 0.009 0.000 0.220 260 D C 1.011 177.315 176.300 0.008 0.000 1.039 260 D CA 0.676 54.678 54.000 0.004 0.000 0.866 260 D CB 0.032 40.834 40.800 0.003 0.000 0.913 260 D HN 0.238 nan 8.370 nan 0.000 0.523 261 G N -0.101 108.705 108.800 0.011 0.000 2.213 261 G HA2 -0.314 3.651 3.960 0.009 0.000 0.236 261 G HA3 -0.314 3.651 3.960 0.009 0.000 0.236 261 G C 0.671 175.579 174.900 0.014 0.000 0.991 261 G CA 0.368 45.476 45.100 0.013 0.000 0.629 261 G HN 0.786 nan 8.290 nan 0.000 0.517 262 S N -0.872 114.835 115.700 0.012 0.000 2.625 262 S HA 0.717 5.192 4.470 0.009 0.000 0.258 262 S C 0.123 174.729 174.600 0.011 0.000 1.256 262 S CA 0.204 58.410 58.200 0.010 0.000 0.983 262 S CB 1.963 65.167 63.200 0.007 0.000 1.032 262 S HN 1.206 nan 8.310 nan 0.000 0.572 263 V N 0.669 120.581 119.914 -0.002 0.000 2.686 263 V HA 0.545 4.670 4.120 0.009 0.000 0.306 263 V C -0.265 175.813 176.094 -0.028 0.000 1.065 263 V CA -0.785 61.510 62.300 -0.008 0.000 0.894 263 V CB 1.747 33.547 31.823 -0.037 0.000 1.004 263 V HN 0.924 nan 8.190 nan 0.000 0.424 264 R N 2.571 123.082 120.500 0.018 0.000 2.295 264 R HA 0.706 5.051 4.340 0.009 0.000 0.324 264 R C 0.489 176.767 176.300 -0.036 0.000 0.968 264 R CA 0.847 56.958 56.100 0.019 0.000 0.837 264 R CB 1.203 31.570 30.300 0.112 0.000 1.133 264 R HN 1.231 nan 8.270 nan 0.000 0.450 265 G N 2.937 111.618 108.800 -0.198 0.000 2.443 265 G HA2 -0.230 3.735 3.960 0.009 0.000 0.209 265 G HA3 -0.230 3.735 3.960 0.009 0.000 0.209 265 G C -1.423 173.093 174.900 -0.639 0.000 1.176 265 G CA -0.177 44.730 45.100 -0.323 0.000 1.074 265 G HN 0.606 nan 8.290 nan 0.000 0.577 266 D N 1.537 121.694 120.400 -0.404 0.000 2.412 266 D HA 0.593 5.239 4.640 0.009 0.000 0.224 266 D C -1.132 175.067 176.300 -0.169 0.000 1.093 266 D CA -2.030 51.756 54.000 -0.357 0.000 0.850 266 D CB 1.609 42.492 40.800 0.138 0.000 1.046 266 D HN -0.022 nan 8.370 nan 0.000 0.507 267 P HA -0.101 nan 4.420 nan 0.000 0.219 267 P C 0.908 178.215 177.300 0.011 0.000 1.146 267 P CA 0.938 64.001 63.100 -0.062 0.000 0.808 267 P CB 0.283 31.958 31.700 -0.043 0.000 0.779 268 A N -0.472 122.375 122.820 0.045 0.000 2.067 268 A HA -0.126 4.199 4.320 0.009 0.000 0.219 268 A C 1.495 179.129 177.584 0.083 0.000 1.158 268 A CA 1.345 53.440 52.037 0.097 0.000 0.661 268 A CB -0.845 18.240 19.000 0.142 0.000 0.801 268 A HN 0.165 nan 8.150 nan 0.000 0.452 269 N N -0.278 118.452 118.700 0.050 0.000 2.321 269 N HA 0.174 4.920 4.740 0.009 0.000 0.242 269 N C 0.943 176.445 175.510 -0.013 0.000 1.141 269 N CA 0.096 53.161 53.050 0.025 0.000 0.864 269 N CB 0.741 39.239 38.487 0.018 0.000 1.100 269 N HN 0.192 nan 8.380 nan 0.000 0.510 270 V N 0.730 120.643 119.914 -0.002 0.000 2.307 270 V HA -0.215 3.911 4.120 0.009 0.000 0.245 270 V C 2.432 178.524 176.094 -0.002 0.000 1.045 270 V CA 1.743 64.040 62.300 -0.005 0.000 1.024 270 V CB -0.233 31.598 31.823 0.012 0.000 0.651 270 V HN 0.387 nan 8.190 nan 0.000 0.449 271 E N -0.139 120.063 120.200 0.004 0.000 2.051 271 E HA -0.253 4.102 4.350 0.009 0.000 0.192 271 E C 2.148 178.677 176.600 -0.119 0.000 0.991 271 E CA 1.659 58.038 56.400 -0.036 0.000 0.799 271 E CB -0.174 29.538 29.700 0.020 0.000 0.748 271 E HN 0.472 nan 8.360 nan 0.000 0.449 272 I N 0.840 121.353 120.570 -0.095 0.000 2.315 272 I HA -0.203 3.973 4.170 0.009 0.000 0.248 272 I C 2.033 178.098 176.117 -0.088 0.000 1.117 272 I CA 1.546 62.771 61.300 -0.125 0.000 1.404 272 I CB -0.418 37.553 38.000 -0.049 0.000 1.071 272 I HN 0.098 nan 8.210 nan 0.000 0.419 273 T N 0.512 115.034 114.554 -0.053 0.000 2.708 273 T HA -0.175 4.180 4.350 0.009 0.000 0.266 273 T C 1.715 176.480 174.700 0.108 0.000 1.037 273 T CA 1.861 63.965 62.100 0.007 0.000 1.146 273 T CB -0.279 68.583 68.868 -0.011 0.000 0.865 273 T HN 0.487 nan 8.240 nan 0.000 0.435 274 E N 0.753 120.988 120.200 0.059 0.000 2.150 274 E HA -0.017 4.339 4.350 0.009 0.000 0.193 274 E C 2.217 178.845 176.600 0.046 0.000 0.985 274 E CA 0.676 57.116 56.400 0.067 0.000 0.814 274 E CB -0.268 29.447 29.700 0.026 0.000 0.752 274 E HN 0.416 nan 8.360 nan 0.000 0.466 275 L N 0.333 121.550 121.223 -0.011 0.000 2.093 275 L HA -0.199 4.147 4.340 0.009 0.000 0.208 275 L C 2.540 179.502 176.870 0.152 0.000 1.085 275 L CA 0.704 55.564 54.840 0.033 0.000 0.755 275 L CB -0.353 41.650 42.059 -0.093 0.000 0.904 275 L HN 0.303 nan 8.230 nan 0.000 0.435 276 C N -0.082 119.271 119.300 0.087 0.000 2.425 276 C HA -0.135 4.330 4.460 0.009 0.000 0.277 276 C C 2.716 177.880 174.990 0.289 0.000 1.280 276 C CA 0.469 59.552 59.018 0.108 0.000 1.744 276 C CB -0.614 27.075 27.740 -0.086 0.000 1.989 276 C HN 0.423 nan 8.230 nan 0.000 0.491 277 I N 0.429 121.186 120.570 0.312 0.000 2.202 277 I HA -0.245 3.931 4.170 0.009 0.000 0.242 277 I C 2.594 178.769 176.117 0.096 0.000 1.091 277 I CA 1.487 62.931 61.300 0.240 0.000 1.368 277 I CB -0.679 37.429 38.000 0.180 0.000 1.058 277 I HN 0.434 nan 8.210 nan 0.000 0.410 278 Q N -0.102 119.719 119.800 0.036 0.000 2.297 278 Q HA -0.175 4.170 4.340 0.009 0.000 0.208 278 Q C 1.105 176.961 176.000 -0.240 0.000 0.981 278 Q CA 0.936 56.676 55.803 -0.105 0.000 0.876 278 Q CB -0.087 28.559 28.738 -0.152 0.000 0.921 278 Q HN 0.612 nan 8.270 nan 0.000 0.446 279 H N -1.500 117.560 119.070 -0.017 0.000 2.507 279 H HA 0.205 4.767 4.556 0.010 0.000 0.294 279 H C 0.927 176.231 175.328 -0.039 0.000 1.064 279 H CA 0.685 56.696 56.048 -0.061 0.000 1.138 279 H CB 0.949 30.628 29.762 -0.138 0.000 1.515 279 H HN 0.444 nan 8.280 nan 0.000 0.547 280 G N 0.735 109.570 108.800 0.058 0.000 2.176 280 G HA2 -0.245 3.720 3.960 0.009 0.000 0.232 280 G HA3 -0.245 3.720 3.960 0.009 0.000 0.232 280 G C -0.047 174.917 174.900 0.106 0.000 0.986 280 G CA -0.036 45.090 45.100 0.043 0.000 0.643 280 G HN 0.399 nan 8.290 nan 0.000 0.522 281 W N 2.772 124.052 121.300 -0.034 0.000 2.266 281 W HA 0.638 5.304 4.660 0.010 0.000 0.317 281 W C 0.246 176.760 176.519 -0.009 0.000 1.310 281 W CA 0.235 57.565 57.345 -0.026 0.000 1.207 281 W CB 0.779 30.233 29.460 -0.011 0.000 1.199 281 W HN 0.037 nan 8.180 nan 0.000 0.544 282 T N 9.847 124.059 114.554 -0.569 0.000 2.723 282 T HA 0.185 4.541 4.350 0.009 0.000 0.297 282 T C -2.032 171.934 174.700 -1.223 0.000 0.925 282 T CA -0.893 60.832 62.100 -0.626 0.000 1.030 282 T CB 0.416 69.066 68.868 -0.363 0.000 0.905 282 T HN 0.256 nan 8.240 nan 0.000 0.502 283 P HA 0.265 nan 4.420 nan 0.000 0.272 283 P C 0.344 177.264 177.300 -0.633 0.000 1.223 283 P CA -0.220 62.222 63.100 -1.097 0.000 0.784 283 P CB 0.896 32.326 31.700 -0.450 0.000 0.923 284 G N 0.830 109.406 108.800 -0.374 0.000 2.702 284 G HA2 0.343 4.308 3.960 0.009 0.000 0.254 284 G HA3 0.343 4.308 3.960 0.009 0.000 0.254 284 G C 0.076 174.683 174.900 -0.488 0.000 1.380 284 G CA -0.742 44.231 45.100 -0.211 0.000 1.042 284 G HN 0.757 nan 8.290 nan 0.000 0.557 285 N N -1.468 117.068 118.700 -0.273 0.000 2.301 285 N HA 0.251 4.997 4.740 0.009 0.000 0.247 285 N C 0.522 176.016 175.510 -0.027 0.000 1.347 285 N CA -0.431 52.408 53.050 -0.352 0.000 0.844 285 N CB 0.947 39.279 38.487 -0.259 0.000 1.332 285 N HN 0.636 nan 8.380 nan 0.000 0.494 286 G N 0.555 109.453 108.800 0.164 0.000 2.537 286 G HA2 0.202 4.168 3.960 0.009 0.000 0.297 286 G HA3 0.202 4.168 3.960 0.009 0.000 0.297 286 G C 0.227 175.245 174.900 0.197 0.000 1.310 286 G CA -0.669 44.539 45.100 0.180 0.000 1.027 286 G HN 0.172 nan 8.290 nan 0.000 0.505 287 R N -1.477 119.052 120.500 0.048 0.000 2.254 287 R HA 0.221 4.566 4.340 0.009 0.000 0.195 287 R C -0.099 175.818 176.300 -0.637 0.000 0.957 287 R CA 0.294 56.253 56.100 -0.235 0.000 1.024 287 R CB 0.059 30.180 30.300 -0.299 0.000 0.952 287 R HN 0.391 nan 8.270 nan 0.000 0.484 288 F N 0.749 120.677 119.950 -0.037 0.000 2.576 288 F HA 0.281 4.814 4.527 0.009 0.000 0.365 288 F C -0.991 174.832 175.800 0.039 0.000 1.506 288 F CA -1.062 56.708 58.000 -0.384 0.000 1.113 288 F CB 0.856 39.453 39.000 -0.671 0.000 1.293 288 F HN -0.250 nan 8.300 nan 0.000 0.540 289 D N 1.773 122.369 120.400 0.327 0.000 2.316 289 D HA 0.185 4.831 4.640 0.009 0.000 0.245 289 D C 0.218 176.759 176.300 0.401 0.000 1.171 289 D CA 0.161 54.396 54.000 0.392 0.000 0.856 289 D CB 2.140 43.225 40.800 0.475 0.000 1.090 289 D HN -0.053 nan 8.370 nan 0.000 0.476 290 V N 3.897 124.011 119.914 0.333 0.000 2.529 290 V HA -0.001 4.125 4.120 0.009 0.000 0.292 290 V C 0.999 177.088 176.094 -0.009 0.000 1.028 290 V CA -0.204 62.167 62.300 0.119 0.000 1.074 290 V CB 0.265 32.118 31.823 0.050 0.000 0.958 290 V HN 0.333 nan 8.190 nan 0.000 0.481 291 L N 8.058 129.171 121.223 -0.183 0.000 2.453 291 L HA 0.396 4.742 4.340 0.009 0.000 0.261 291 L C -1.696 174.913 176.870 -0.434 0.000 1.179 291 L CA -1.449 53.123 54.840 -0.447 0.000 0.813 291 L CB 1.036 42.844 42.059 -0.417 0.000 1.110 291 L HN 0.487 nan 8.230 nan 0.000 0.466 292 P HA 0.259 nan 4.420 nan 0.000 0.278 292 P C -1.195 175.931 177.300 -0.290 0.000 1.266 292 P CA -0.520 62.326 63.100 -0.423 0.000 0.807 292 P CB 1.082 32.436 31.700 -0.577 0.000 1.094 293 L N 0.942 122.079 121.223 -0.144 0.000 2.307 293 L HA 0.412 4.758 4.340 0.009 0.000 0.282 293 L C 0.407 177.233 176.870 -0.073 0.000 1.051 293 L CA -0.824 53.974 54.840 -0.070 0.000 0.804 293 L CB 0.796 42.873 42.059 0.031 0.000 1.197 293 L HN 0.207 nan 8.230 nan 0.000 0.431 294 L N 5.125 126.285 121.223 -0.106 0.000 2.283 294 L HA 0.448 4.793 4.340 0.009 0.000 0.281 294 L C -0.578 176.169 176.870 -0.205 0.000 1.033 294 L CA -0.249 54.434 54.840 -0.262 0.000 0.848 294 L CB 0.864 42.659 42.059 -0.439 0.000 1.226 294 L HN 0.439 nan 8.230 nan 0.000 0.429 295 L N 3.847 125.005 121.223 -0.107 0.000 2.309 295 L HA 0.512 4.858 4.340 0.009 0.000 0.282 295 L C -0.235 176.568 176.870 -0.112 0.000 1.036 295 L CA -0.385 54.418 54.840 -0.062 0.000 0.806 295 L CB 1.720 43.745 42.059 -0.057 0.000 1.220 295 L HN 0.561 nan 8.230 nan 0.000 0.429 296 Q N 2.359 122.128 119.800 -0.052 0.000 2.310 296 Q HA 0.694 5.039 4.340 0.009 0.000 0.270 296 Q C -1.239 174.703 176.000 -0.097 0.000 1.025 296 Q CA -0.536 55.240 55.803 -0.045 0.000 0.772 296 Q CB 2.237 31.053 28.738 0.130 0.000 1.253 296 Q HN 0.792 nan 8.270 nan 0.000 0.450 297 A N 4.733 127.441 122.820 -0.187 0.000 2.269 297 A HA 0.717 5.042 4.320 0.009 0.000 0.319 297 A C -2.471 174.859 177.584 -0.423 0.000 1.110 297 A CA -1.791 49.975 52.037 -0.451 0.000 0.847 297 A CB 0.307 19.130 19.000 -0.296 0.000 1.161 297 A HN 0.640 nan 8.150 nan 0.000 0.497 298 P HA 0.003 nan 4.420 nan 0.000 0.259 298 P C -0.657 176.546 177.300 -0.162 0.000 1.163 298 P CA 0.960 63.859 63.100 -0.334 0.000 0.760 298 P CB 0.088 31.592 31.700 -0.326 0.000 0.762 299 D N 0.352 120.702 120.400 -0.084 0.000 2.882 299 D HA -0.195 4.450 4.640 0.009 0.000 0.229 299 D C -0.187 176.097 176.300 -0.026 0.000 1.167 299 D CA 1.297 55.276 54.000 -0.035 0.000 0.759 299 D CB -0.768 40.015 40.800 -0.028 0.000 1.088 299 D HN 0.576 nan 8.370 nan 0.000 0.425 300 E N -0.675 119.504 120.200 -0.035 0.000 2.336 300 E HA 0.682 5.038 4.350 0.009 0.000 0.267 300 E C -0.138 176.457 176.600 -0.008 0.000 0.906 300 E CA -0.904 55.480 56.400 -0.027 0.000 0.781 300 E CB 1.696 31.364 29.700 -0.053 0.000 1.261 300 E HN 0.123 nan 8.360 nan 0.000 0.436 301 A N 2.453 125.267 122.820 -0.010 0.000 2.366 301 A HA 0.360 4.686 4.320 0.009 0.000 0.249 301 A C -2.077 175.422 177.584 -0.142 0.000 1.084 301 A CA -1.009 51.017 52.037 -0.018 0.000 0.794 301 A CB -0.369 18.638 19.000 0.011 0.000 1.034 301 A HN 0.349 nan 8.150 nan 0.000 0.491 302 P HA 0.185 nan 4.420 nan 0.000 0.271 302 P C -0.722 176.312 177.300 -0.443 0.000 1.218 302 P CA 0.111 62.865 63.100 -0.577 0.000 0.780 302 P CB 0.739 31.601 31.700 -1.397 0.000 0.901 303 E N 0.838 120.868 120.200 -0.284 0.000 2.195 303 E HA 0.385 4.741 4.350 0.009 0.000 0.271 303 E C -0.729 175.677 176.600 -0.324 0.000 0.923 303 E CA -1.079 55.164 56.400 -0.261 0.000 0.790 303 E CB 1.476 31.108 29.700 -0.112 0.000 1.155 303 E HN 0.293 nan 8.360 nan 0.000 0.402 304 L N 3.471 124.398 121.223 -0.492 0.000 2.305 304 L HA 0.412 4.758 4.340 0.009 0.000 0.281 304 L C -1.523 174.894 176.870 -0.754 0.000 1.085 304 L CA 0.254 54.834 54.840 -0.433 0.000 0.813 304 L CB 0.111 42.004 42.059 -0.277 0.000 1.157 304 L HN 0.401 nan 8.230 nan 0.000 0.436 305 F N 4.012 123.736 119.950 -0.376 0.000 2.557 305 F HA 0.453 4.986 4.527 0.010 0.000 0.316 305 F C -0.365 175.169 175.800 -0.443 0.000 1.141 305 F CA -0.856 56.785 58.000 -0.599 0.000 0.922 305 F CB 1.862 40.170 39.000 -1.154 0.000 1.194 305 F HN 0.012 nan 8.300 nan 0.000 0.443 306 V N 4.813 124.624 119.914 -0.171 0.000 2.406 306 V HA 0.280 4.406 4.120 0.009 0.000 0.272 306 V C 0.177 176.350 176.094 0.132 0.000 1.043 306 V CA -0.695 61.595 62.300 -0.017 0.000 0.915 306 V CB 1.267 33.119 31.823 0.048 0.000 0.988 306 V HN 0.539 nan 8.190 nan 0.000 0.466 307 L N 7.699 129.028 121.223 0.177 0.000 2.410 307 L HA 0.262 4.607 4.340 0.009 0.000 0.273 307 L C -2.069 174.908 176.870 0.178 0.000 1.144 307 L CA -1.439 53.560 54.840 0.264 0.000 0.863 307 L CB 0.509 42.652 42.059 0.140 0.000 1.140 307 L HN 0.434 nan 8.230 nan 0.000 0.463 308 P HA 0.052 nan 4.420 nan 0.000 0.263 308 P C -1.998 175.351 177.300 0.082 0.000 1.195 308 P CA -0.897 62.275 63.100 0.120 0.000 0.762 308 P CB 0.380 32.140 31.700 0.100 0.000 0.799 309 P HA -0.245 nan 4.420 nan 0.000 0.217 309 P C 1.359 178.687 177.300 0.048 0.000 1.151 309 P CA 1.421 64.560 63.100 0.065 0.000 0.849 309 P CB -0.191 31.550 31.700 0.068 0.000 0.787 310 E N -0.106 120.119 120.200 0.041 0.000 2.333 310 E HA -0.137 4.219 4.350 0.009 0.000 0.198 310 E C 1.698 178.312 176.600 0.022 0.000 1.007 310 E CA 1.019 57.436 56.400 0.028 0.000 0.845 310 E CB -1.037 28.678 29.700 0.024 0.000 0.766 310 E HN 0.330 nan 8.360 nan 0.000 0.507 311 L N 0.900 122.137 121.223 0.023 0.000 2.375 311 L HA 0.095 4.440 4.340 0.009 0.000 0.215 311 L C 0.731 177.610 176.870 0.015 0.000 1.108 311 L CA 0.090 54.938 54.840 0.012 0.000 0.830 311 L CB 0.436 42.494 42.059 -0.003 0.000 0.959 311 L HN -0.099 nan 8.230 nan 0.000 0.457 312 V N 2.302 122.228 119.914 0.020 0.000 2.304 312 V HA 0.139 4.265 4.120 0.009 0.000 0.262 312 V C 0.051 176.168 176.094 0.037 0.000 1.061 312 V CA -0.518 61.791 62.300 0.016 0.000 0.872 312 V CB 1.066 32.888 31.823 -0.003 0.000 1.077 312 V HN 0.056 nan 8.190 nan 0.000 0.480 313 L N 5.678 126.929 121.223 0.047 0.000 2.410 313 L HA 0.407 4.753 4.340 0.009 0.000 0.273 313 L C 0.218 177.124 176.870 0.060 0.000 1.144 313 L CA 0.834 55.698 54.840 0.039 0.000 0.863 313 L CB 0.244 42.322 42.059 0.031 0.000 1.140 313 L HN 0.657 nan 8.230 nan 0.000 0.463 314 E N 3.309 123.523 120.200 0.024 0.000 2.359 314 E HA 0.621 4.976 4.350 0.009 0.000 0.266 314 E C -1.458 175.087 176.600 -0.091 0.000 0.920 314 E CA -1.070 55.344 56.400 0.024 0.000 0.788 314 E CB 2.455 32.197 29.700 0.070 0.000 1.279 314 E HN 0.351 nan 8.360 nan 0.000 0.438 315 V N 2.567 122.396 119.914 -0.142 0.000 2.409 315 V HA 0.290 4.416 4.120 0.009 0.000 0.290 315 V C -2.466 173.562 176.094 -0.110 0.000 1.017 315 V CA -1.957 60.200 62.300 -0.237 0.000 0.841 315 V CB 1.354 32.795 31.823 -0.637 0.000 1.003 315 V HN 0.512 nan 8.190 nan 0.000 0.426 316 P HA 0.266 nan 4.420 nan 0.000 0.271 316 P C -0.583 176.724 177.300 0.012 0.000 1.216 316 P CA -0.068 63.001 63.100 -0.051 0.000 0.771 316 P CB 0.578 32.256 31.700 -0.037 0.000 0.864 317 L N 3.599 124.865 121.223 0.071 0.000 2.292 317 L HA 0.448 4.794 4.340 0.009 0.000 0.284 317 L C 1.038 178.074 176.870 0.277 0.000 1.065 317 L CA -0.141 54.812 54.840 0.188 0.000 0.806 317 L CB 0.504 42.742 42.059 0.298 0.000 1.175 317 L HN 0.492 nan 8.230 nan 0.000 0.431 318 E N 1.799 122.137 120.200 0.230 0.000 2.416 318 E HA 0.427 4.783 4.350 0.009 0.000 0.273 318 E C -1.358 175.289 176.600 0.079 0.000 0.935 318 E CA -0.951 55.596 56.400 0.246 0.000 0.784 318 E CB 2.300 32.113 29.700 0.187 0.000 1.301 318 E HN 0.476 nan 8.360 nan 0.000 0.454 319 H N 1.318 120.281 119.070 -0.179 0.000 2.492 319 H HA 0.254 4.815 4.556 0.010 0.000 0.345 319 H C -1.823 173.201 175.328 -0.508 0.000 1.136 319 H CA -2.341 53.431 56.048 -0.459 0.000 1.202 319 H CB 2.063 31.442 29.762 -0.639 0.000 1.524 319 H HN 0.418 nan 8.280 nan 0.000 0.506 320 P HA -0.139 nan 4.420 nan 0.000 0.218 320 P C 0.932 178.071 177.300 -0.268 0.000 1.148 320 P CA 2.005 64.599 63.100 -0.842 0.000 0.822 320 P CB 0.434 31.638 31.700 -0.826 0.000 0.784 321 T N -4.244 110.334 114.554 0.041 0.000 2.989 321 T HA 0.193 4.548 4.350 0.009 0.000 0.250 321 T C 0.986 175.630 174.700 -0.093 0.000 0.981 321 T CA -0.236 61.866 62.100 0.004 0.000 0.980 321 T CB -0.675 68.204 68.868 0.019 0.000 1.133 321 T HN -0.066 nan 8.240 nan 0.000 0.489 322 L N 2.941 124.002 121.223 -0.270 0.000 2.462 322 L HA 0.322 4.668 4.340 0.009 0.000 0.283 322 L C 1.223 177.721 176.870 -0.621 0.000 1.166 322 L CA -0.222 54.172 54.840 -0.744 0.000 0.964 322 L CB 0.235 41.408 42.059 -1.478 0.000 1.294 322 L HN 0.307 nan 8.230 nan 0.000 0.449 323 E N 3.070 123.081 120.200 -0.316 0.000 2.267 323 E HA -0.205 4.150 4.350 0.009 0.000 0.197 323 E C 1.518 178.099 176.600 -0.032 0.000 0.998 323 E CA 1.353 57.687 56.400 -0.111 0.000 0.830 323 E CB 0.029 29.729 29.700 0.001 0.000 0.751 323 E HN 0.819 nan 8.360 nan 0.000 0.491 324 W N -0.219 121.128 121.300 0.078 0.000 2.584 324 W HA 0.014 4.680 4.660 0.010 0.000 0.264 324 W C 1.491 178.063 176.519 0.088 0.000 1.264 324 W CA -0.259 57.124 57.345 0.062 0.000 1.306 324 W CB -0.887 28.589 29.460 0.026 0.000 1.110 324 W HN -0.055 nan 8.180 nan 0.000 0.606 325 F N 3.048 122.832 119.950 -0.277 0.000 2.120 325 F HA -0.197 4.335 4.527 0.009 0.000 0.300 325 F C 2.701 178.544 175.800 0.071 0.000 1.095 325 F CA 3.123 61.060 58.000 -0.105 0.000 1.249 325 F CB -0.525 38.265 39.000 -0.349 0.000 0.995 325 F HN -0.076 nan 8.300 nan 0.000 0.480 326 A N 0.016 122.984 122.820 0.247 0.000 1.978 326 A HA -0.114 4.211 4.320 0.009 0.000 0.220 326 A C 2.299 179.946 177.584 0.105 0.000 1.170 326 A CA 1.545 53.689 52.037 0.180 0.000 0.636 326 A CB -1.436 17.647 19.000 0.137 0.000 0.810 326 A HN 0.457 nan 8.150 nan 0.000 0.448 327 A N -0.933 121.958 122.820 0.118 0.000 2.125 327 A HA 0.059 4.384 4.320 0.009 0.000 0.219 327 A C 1.775 179.393 177.584 0.057 0.000 1.156 327 A CA 1.292 53.385 52.037 0.094 0.000 0.671 327 A CB -0.404 18.672 19.000 0.127 0.000 0.794 327 A HN 0.378 nan 8.150 nan 0.000 0.459 328 L N -0.841 120.389 121.223 0.011 0.000 2.353 328 L HA 0.047 4.393 4.340 0.009 0.000 0.220 328 L C 1.906 178.782 176.870 0.011 0.000 1.133 328 L CA 1.267 56.083 54.840 -0.041 0.000 0.798 328 L CB -1.257 40.659 42.059 -0.237 0.000 0.922 328 L HN 0.670 nan 8.230 nan 0.000 0.445 329 G N -0.603 108.208 108.800 0.019 0.000 2.198 329 G HA2 -0.290 3.676 3.960 0.009 0.000 0.260 329 G HA3 -0.290 3.676 3.960 0.009 0.000 0.260 329 G C 0.344 175.241 174.900 -0.005 0.000 1.025 329 G CA 0.428 45.547 45.100 0.032 0.000 0.769 329 G HN 0.325 nan 8.290 nan 0.000 0.507 330 L N -0.469 120.728 121.223 -0.044 0.000 2.421 330 L HA 0.856 5.201 4.340 0.009 0.000 0.263 330 L C 1.068 177.742 176.870 -0.326 0.000 1.122 330 L CA -0.696 54.056 54.840 -0.147 0.000 0.804 330 L CB 1.077 43.152 42.059 0.027 0.000 1.150 330 L HN 0.591 nan 8.230 nan 0.000 0.457 331 R N 0.686 120.806 120.500 -0.633 0.000 2.741 331 R HA 0.444 4.789 4.340 0.009 0.000 0.276 331 R C -2.255 173.957 176.300 -0.147 0.000 1.028 331 R CA -1.006 54.867 56.100 -0.379 0.000 0.865 331 R CB 1.486 31.499 30.300 -0.479 0.000 1.268 331 R HN 0.668 nan 8.270 nan 0.000 0.475 332 W N 1.365 122.611 121.300 -0.089 0.000 3.137 332 W HA 0.378 5.043 4.660 0.009 0.000 0.324 332 W C -1.314 175.304 176.519 0.164 0.000 1.253 332 W CA -0.947 56.448 57.345 0.084 0.000 1.183 332 W CB 1.960 31.388 29.460 -0.053 0.000 1.424 332 W HN 0.681 nan 8.180 nan 0.000 0.566 333 Y N 0.946 121.183 120.300 -0.105 0.000 2.307 333 Y HA 0.586 5.142 4.550 0.009 0.000 0.324 333 Y C 0.787 176.934 175.900 0.412 0.000 1.238 333 Y CA -0.014 58.117 58.100 0.050 0.000 1.280 333 Y CB 0.323 38.680 38.460 -0.172 0.000 1.248 333 Y HN 0.352 nan 8.280 nan 0.000 0.508 334 A N 2.287 125.387 122.820 0.466 0.000 1.970 334 A HA 0.027 4.353 4.320 0.009 0.000 0.216 334 A C 0.590 178.538 177.584 0.607 0.000 1.170 334 A CA 0.522 52.878 52.037 0.531 0.000 0.645 334 A CB -0.378 18.766 19.000 0.240 0.000 0.816 334 A HN 0.686 nan 8.150 nan 0.000 0.447 335 L N 2.040 123.574 121.223 0.518 0.000 2.255 335 L HA 0.401 4.746 4.340 0.009 0.000 0.289 335 L C -2.538 174.504 176.870 0.286 0.000 1.046 335 L CA -2.228 52.814 54.840 0.337 0.000 0.816 335 L CB 1.454 43.631 42.059 0.196 0.000 1.197 335 L HN -0.003 nan 8.230 nan 0.000 0.427 336 P HA 0.346 nan 4.420 nan 0.000 0.292 336 P C -1.480 175.727 177.300 -0.155 0.000 1.326 336 P CA -0.373 62.597 63.100 -0.217 0.000 0.787 336 P CB 1.433 32.573 31.700 -0.933 0.000 0.903 337 A N 4.440 127.175 122.820 -0.141 0.000 2.522 337 A HA 0.404 4.730 4.320 0.009 0.000 0.285 337 A C -0.346 177.021 177.584 -0.362 0.000 1.198 337 A CA -0.643 51.236 52.037 -0.263 0.000 0.742 337 A CB 0.852 19.713 19.000 -0.232 0.000 1.176 337 A HN 0.291 nan 8.150 nan 0.000 0.444 338 V N 2.963 122.507 119.914 -0.617 0.000 2.521 338 V HA 0.240 4.366 4.120 0.009 0.000 0.286 338 V C 1.236 176.932 176.094 -0.662 0.000 1.034 338 V CA 1.171 63.077 62.300 -0.657 0.000 1.045 338 V CB 0.996 32.263 31.823 -0.926 0.000 0.974 338 V HN 1.086 nan 8.190 nan 0.000 0.480 339 S N 1.936 117.451 115.700 -0.307 0.000 2.666 339 S HA 0.047 4.523 4.470 0.009 0.000 0.239 339 S C 0.810 175.396 174.600 -0.023 0.000 1.031 339 S CA 0.081 58.184 58.200 -0.161 0.000 1.015 339 S CB -0.368 62.775 63.200 -0.094 0.000 0.981 339 S HN 0.915 nan 8.310 nan 0.000 0.547 340 N N 0.362 119.057 118.700 -0.008 0.000 2.204 340 N HA 0.308 5.053 4.740 0.009 0.000 0.219 340 N C 0.110 175.681 175.510 0.101 0.000 1.151 340 N CA -0.479 52.608 53.050 0.062 0.000 0.867 340 N CB 0.126 38.653 38.487 0.067 0.000 1.043 340 N HN 0.263 nan 8.380 nan 0.000 0.516 341 M N 1.251 120.927 119.600 0.128 0.000 2.359 341 M HA 0.334 4.820 4.480 0.009 0.000 0.322 341 M C -0.618 175.831 176.300 0.248 0.000 1.166 341 M CA -0.842 54.584 55.300 0.210 0.000 1.067 341 M CB 2.339 35.102 32.600 0.271 0.000 1.523 341 M HN 0.121 nan 8.290 nan 0.000 0.467 342 L N 2.674 124.029 121.223 0.220 0.000 2.295 342 L HA 0.501 4.846 4.340 0.009 0.000 0.285 342 L C -1.347 175.652 176.870 0.214 0.000 1.035 342 L CA -0.964 53.994 54.840 0.196 0.000 0.806 342 L CB 1.165 43.286 42.059 0.105 0.000 1.214 342 L HN 0.560 nan 8.230 nan 0.000 0.426 343 L N 5.403 126.759 121.223 0.221 0.000 2.257 343 L HA 0.422 4.768 4.340 0.009 0.000 0.290 343 L C -0.401 176.497 176.870 0.047 0.000 1.044 343 L CA 0.310 55.178 54.840 0.047 0.000 0.810 343 L CB 0.999 43.087 42.059 0.049 0.000 1.193 343 L HN 0.620 nan 8.230 nan 0.000 0.425 344 E N 6.641 126.782 120.200 -0.099 0.000 2.133 344 E HA 0.392 4.747 4.350 0.009 0.000 0.274 344 E C -1.549 174.957 176.600 -0.156 0.000 0.930 344 E CA -0.426 55.922 56.400 -0.085 0.000 0.770 344 E CB 1.077 30.724 29.700 -0.088 0.000 1.104 344 E HN 0.727 nan 8.360 nan 0.000 0.403 345 I N 2.697 123.177 120.570 -0.150 0.000 2.500 345 I HA 0.261 4.436 4.170 0.009 0.000 0.286 345 I C 0.789 176.682 176.117 -0.373 0.000 1.063 345 I CA -0.662 60.418 61.300 -0.367 0.000 1.062 345 I CB 1.988 39.703 38.000 -0.474 0.000 1.223 345 I HN 0.794 nan 8.210 nan 0.000 0.435 346 G N 4.186 112.817 108.800 -0.282 0.000 2.321 346 G HA2 -0.139 3.827 3.960 0.009 0.000 0.287 346 G HA3 -0.139 3.827 3.960 0.009 0.000 0.287 346 G C 1.036 176.011 174.900 0.124 0.000 1.018 346 G CA 0.786 45.923 45.100 0.061 0.000 0.855 346 G HN 1.556 nan 8.290 nan 0.000 0.507 347 G N -1.963 106.847 108.800 0.016 0.000 2.225 347 G HA2 -0.249 3.717 3.960 0.009 0.000 0.254 347 G HA3 -0.249 3.717 3.960 0.009 0.000 0.254 347 G C 0.530 175.378 174.900 -0.088 0.000 0.988 347 G CA 0.478 45.583 45.100 0.009 0.000 0.625 347 G HN 1.296 nan 8.290 nan 0.000 0.527 348 L N 0.929 122.039 121.223 -0.189 0.000 2.371 348 L HA 0.522 4.867 4.340 0.009 0.000 0.272 348 L C 0.329 176.963 176.870 -0.394 0.000 1.124 348 L CA -0.233 54.372 54.840 -0.392 0.000 0.816 348 L CB 1.004 42.713 42.059 -0.583 0.000 1.129 348 L HN 0.191 nan 8.230 nan 0.000 0.448 349 E N 3.008 122.922 120.200 -0.476 0.000 2.155 349 E HA 0.309 4.665 4.350 0.009 0.000 0.264 349 E C -1.388 174.932 176.600 -0.466 0.000 0.886 349 E CA -0.383 55.814 56.400 -0.339 0.000 0.752 349 E CB 1.287 30.881 29.700 -0.177 0.000 1.133 349 E HN 0.276 nan 8.360 nan 0.000 0.414 350 F N 2.239 122.154 119.950 -0.058 0.000 2.351 350 F HA 0.075 4.608 4.527 0.011 0.000 0.362 350 F C 1.645 177.479 175.800 0.057 0.000 1.131 350 F CA -0.413 57.580 58.000 -0.012 0.000 1.187 350 F CB 0.822 39.799 39.000 -0.038 0.000 1.434 350 F HN 0.422 nan 8.300 nan 0.000 0.553 351 S N 1.374 117.171 115.700 0.161 0.000 2.447 351 S HA 0.101 4.577 4.470 0.009 0.000 0.233 351 S C 0.893 175.626 174.600 0.222 0.000 1.006 351 S CA 0.421 58.718 58.200 0.162 0.000 0.957 351 S CB -0.014 63.259 63.200 0.121 0.000 0.773 351 S HN 0.478 nan 8.310 nan 0.000 0.507 352 A N 0.496 123.494 122.820 0.297 0.000 2.409 352 A HA 0.827 5.153 4.320 0.009 0.000 0.300 352 A C -0.165 177.675 177.584 0.426 0.000 1.273 352 A CA -0.181 52.070 52.037 0.357 0.000 0.774 352 A CB 0.842 20.058 19.000 0.360 0.000 1.144 352 A HN 0.996 nan 8.150 nan 0.000 0.472 353 A N 4.168 127.182 122.820 0.323 0.000 3.307 353 A HA 0.626 4.952 4.320 0.009 0.000 0.289 353 A C -3.014 174.715 177.584 0.242 0.000 1.138 353 A CA -0.940 51.236 52.037 0.231 0.000 0.860 353 A CB 0.412 19.547 19.000 0.224 0.000 1.318 353 A HN 0.509 nan 8.150 nan 0.000 0.551 354 P HA 0.386 nan 4.420 nan 0.000 0.268 354 P C -0.760 176.553 177.300 0.021 0.000 1.204 354 P CA 0.496 63.562 63.100 -0.057 0.000 0.768 354 P CB 0.216 31.845 31.700 -0.118 0.000 0.842 355 F N -0.123 119.758 119.950 -0.115 0.000 2.576 355 F HA 0.762 5.294 4.527 0.008 0.000 0.313 355 F C -0.529 175.176 175.800 -0.159 0.000 1.078 355 F CA -1.161 56.770 58.000 -0.115 0.000 0.921 355 F CB 1.707 40.515 39.000 -0.320 0.000 1.232 355 F HN 0.386 nan 8.300 nan 0.000 0.459 356 S N 0.491 116.249 115.700 0.097 0.000 2.564 356 S HA 0.961 5.437 4.470 0.009 0.000 0.274 356 S C -0.701 173.851 174.600 -0.079 0.000 1.124 356 S CA -0.187 58.009 58.200 -0.006 0.000 0.869 356 S CB 1.544 64.819 63.200 0.125 0.000 1.105 356 S HN 1.421 nan 8.310 nan 0.000 0.472 357 G N 0.008 108.718 108.800 -0.149 0.000 3.366 357 G HA2 0.748 4.713 3.960 0.009 0.000 0.179 357 G HA3 0.748 4.713 3.960 0.009 0.000 0.179 357 G C -1.554 173.349 174.900 0.004 0.000 1.143 357 G CA -0.358 44.594 45.100 -0.247 0.000 0.810 357 G HN 1.127 nan 8.290 nan 0.000 0.697 358 W N -1.561 119.741 121.300 0.002 0.000 3.062 358 W HA 0.811 5.476 4.660 0.007 0.000 0.336 358 W C -1.782 174.742 176.519 0.009 0.000 1.224 358 W CA -2.135 55.232 57.345 0.036 0.000 1.159 358 W CB 0.459 29.986 29.460 0.112 0.000 1.454 358 W HN 0.401 nan 8.180 nan 0.000 0.569 359 Y N 2.565 123.065 120.300 0.334 0.000 2.336 359 Y HA 0.333 4.889 4.550 0.010 0.000 0.331 359 Y C 0.805 176.775 175.900 0.116 0.000 1.211 359 Y CA -0.714 57.461 58.100 0.126 0.000 1.346 359 Y CB 1.264 39.706 38.460 -0.031 0.000 1.271 359 Y HN 0.458 nan 8.280 nan 0.000 0.538 360 M N 1.972 121.726 119.600 0.258 0.000 2.238 360 M HA 0.211 4.697 4.480 0.009 0.000 0.350 360 M C 1.015 177.315 176.300 0.000 0.000 1.138 360 M CA -0.250 55.128 55.300 0.131 0.000 1.040 360 M CB 1.162 33.817 32.600 0.091 0.000 1.639 360 M HN 0.818 nan 8.290 nan 0.000 0.451 361 S N 1.216 116.873 115.700 -0.072 0.000 2.402 361 S HA -0.191 4.285 4.470 0.009 0.000 0.233 361 S C 1.482 175.939 174.600 -0.238 0.000 1.030 361 S CA 2.091 60.167 58.200 -0.207 0.000 1.003 361 S CB -1.371 61.743 63.200 -0.143 0.000 0.813 361 S HN 0.931 nan 8.310 nan 0.000 0.477 362 T N 0.182 114.625 114.554 -0.186 0.000 2.881 362 T HA -0.036 4.320 4.350 0.009 0.000 0.270 362 T C 1.568 176.111 174.700 -0.261 0.000 1.068 362 T CA 1.231 63.176 62.100 -0.257 0.000 1.131 362 T CB -0.584 68.097 68.868 -0.312 0.000 0.871 362 T HN 0.594 nan 8.240 nan 0.000 0.479 363 E N 0.886 120.952 120.200 -0.223 0.000 2.085 363 E HA -0.052 4.304 4.350 0.009 0.000 0.194 363 E C 2.065 178.394 176.600 -0.451 0.000 0.994 363 E CA 1.393 57.661 56.400 -0.219 0.000 0.801 363 E CB -0.277 29.419 29.700 -0.005 0.000 0.743 363 E HN 0.596 nan 8.360 nan 0.000 0.453 364 I N 0.052 120.226 120.570 -0.660 0.000 2.364 364 I HA -0.051 4.125 4.170 0.009 0.000 0.241 364 I C 2.583 178.343 176.117 -0.594 0.000 1.082 364 I CA 0.904 61.641 61.300 -0.937 0.000 1.401 364 I CB -0.487 36.866 38.000 -1.077 0.000 1.126 364 I HN 0.103 nan 8.210 nan 0.000 0.429 365 G N 0.103 108.659 108.800 -0.407 0.000 2.422 365 G HA2 -0.152 3.813 3.960 0.009 0.000 0.218 365 G HA3 -0.152 3.813 3.960 0.009 0.000 0.218 365 G C 1.590 176.373 174.900 -0.196 0.000 1.140 365 G CA 1.445 46.399 45.100 -0.244 0.000 0.775 365 G HN 0.300 nan 8.290 nan 0.000 0.545 366 T N -0.207 114.208 114.554 -0.232 0.000 3.053 366 T HA 0.115 4.471 4.350 0.009 0.000 0.236 366 T C 2.504 177.094 174.700 -0.184 0.000 0.996 366 T CA 0.154 62.140 62.100 -0.191 0.000 1.185 366 T CB 0.110 68.848 68.868 -0.216 0.000 0.892 366 T HN 0.000 nan 8.240 nan 0.000 0.432 367 R N 2.083 122.452 120.500 -0.217 0.000 2.056 367 R HA 0.145 4.491 4.340 0.009 0.000 0.227 367 R C 2.194 178.373 176.300 -0.201 0.000 1.149 367 R CA 1.101 57.083 56.100 -0.196 0.000 0.937 367 R CB -1.257 28.933 30.300 -0.185 0.000 0.835 367 R HN 0.312 nan 8.270 nan 0.000 0.430 368 N N 1.069 119.599 118.700 -0.284 0.000 2.104 368 N HA -0.114 4.631 4.740 0.009 0.000 0.190 368 N C 1.943 177.381 175.510 -0.121 0.000 1.024 368 N CA 1.144 54.023 53.050 -0.285 0.000 0.853 368 N CB -0.256 37.724 38.487 -0.844 0.000 1.008 368 N HN 0.205 nan 8.380 nan 0.000 0.424 369 L N -0.921 120.186 121.223 -0.193 0.000 2.354 369 L HA 0.083 4.429 4.340 0.009 0.000 0.212 369 L C 1.322 178.221 176.870 0.049 0.000 1.091 369 L CA 0.413 55.240 54.840 -0.021 0.000 0.828 369 L CB 0.182 42.201 42.059 -0.066 0.000 0.973 369 L HN 0.164 nan 8.230 nan 0.000 0.461 370 C N -1.539 117.747 119.300 -0.023 0.000 3.065 370 C HA 0.179 4.644 4.460 0.009 0.000 0.285 370 C C 0.691 175.664 174.990 -0.030 0.000 1.257 370 C CA -0.917 58.099 59.018 -0.005 0.000 1.691 370 C CB -0.296 27.430 27.740 -0.023 0.000 2.089 370 C HN 0.292 nan 8.230 nan 0.000 0.630 371 D N 2.464 122.810 120.400 -0.089 0.000 2.472 371 D HA 0.075 4.721 4.640 0.009 0.000 0.237 371 D C -1.456 174.806 176.300 -0.063 0.000 1.141 371 D CA -1.084 52.836 54.000 -0.134 0.000 0.875 371 D CB 0.619 41.168 40.800 -0.419 0.000 1.192 371 D HN 0.122 nan 8.370 nan 0.000 0.450 372 P HA -0.124 nan 4.420 nan 0.000 0.218 372 P C 0.707 178.085 177.300 0.129 0.000 1.149 372 P CA 1.170 64.337 63.100 0.113 0.000 0.817 372 P CB 0.019 31.805 31.700 0.143 0.000 0.785 373 H N -2.750 116.330 119.070 0.016 0.000 2.524 373 H HA 0.337 4.899 4.556 0.009 0.000 0.280 373 H C 0.913 176.249 175.328 0.013 0.000 1.018 373 H CA -0.037 56.018 56.048 0.012 0.000 1.165 373 H CB -0.008 29.761 29.762 0.012 0.000 1.411 373 H HN -0.018 nan 8.280 nan 0.000 0.569 374 R N -0.121 120.268 120.500 -0.184 0.000 3.006 374 R HA 0.177 4.522 4.340 0.009 0.000 0.150 374 R C 1.127 177.391 176.300 -0.059 0.000 1.285 374 R CA -0.693 55.341 56.100 -0.110 0.000 0.813 374 R CB -0.856 29.391 30.300 -0.088 0.000 1.582 374 R HN 0.093 nan 8.270 nan 0.000 0.441 375 Y N 1.681 121.993 120.300 0.019 0.000 2.421 375 Y HA -0.032 4.524 4.550 0.009 0.000 0.292 375 Y C 0.736 176.657 175.900 0.035 0.000 1.136 375 Y CA 1.233 59.360 58.100 0.045 0.000 1.255 375 Y CB -0.324 38.201 38.460 0.109 0.000 0.991 375 Y HN 0.551 nan 8.280 nan 0.000 0.552 376 N N 0.938 119.719 118.700 0.135 0.000 2.705 376 N HA -0.226 4.519 4.740 0.009 0.000 0.255 376 N C 0.527 176.115 175.510 0.131 0.000 1.008 376 N CA 0.344 53.456 53.050 0.102 0.000 0.742 376 N CB -0.993 37.538 38.487 0.073 0.000 0.906 376 N HN 0.628 nan 8.380 nan 0.000 0.541 377 I N -3.118 117.543 120.570 0.152 0.000 3.793 377 I HA 0.010 4.186 4.170 0.009 0.000 0.315 377 I C 1.706 177.920 176.117 0.162 0.000 1.275 377 I CA -0.439 60.952 61.300 0.152 0.000 1.214 377 I CB -0.014 38.081 38.000 0.158 0.000 1.018 377 I HN 0.101 nan 8.210 nan 0.000 0.439 378 L N 1.877 123.204 121.223 0.173 0.000 1.978 378 L HA -0.261 4.085 4.340 0.009 0.000 0.218 378 L C 2.621 179.700 176.870 0.349 0.000 1.075 378 L CA 2.212 57.192 54.840 0.234 0.000 0.767 378 L CB -1.127 41.040 42.059 0.181 0.000 0.890 378 L HN 0.504 nan 8.230 nan 0.000 0.434 379 E N -1.071 119.336 120.200 0.346 0.000 2.077 379 E HA -0.233 4.122 4.350 0.009 0.000 0.193 379 E C 1.760 178.401 176.600 0.068 0.000 0.989 379 E CA 1.339 57.864 56.400 0.208 0.000 0.800 379 E CB 0.056 29.822 29.700 0.110 0.000 0.746 379 E HN 0.504 nan 8.360 nan 0.000 0.452 380 D N -0.046 120.398 120.400 0.074 0.000 2.104 380 D HA -0.155 4.491 4.640 0.009 0.000 0.194 380 D C 2.065 178.374 176.300 0.015 0.000 0.994 380 D CA 1.142 55.154 54.000 0.019 0.000 0.830 380 D CB -0.246 40.572 40.800 0.031 0.000 0.959 380 D HN 0.128 nan 8.370 nan 0.000 0.452 381 V N 1.475 121.453 119.914 0.107 0.000 2.358 381 V HA -0.196 3.930 4.120 0.009 0.000 0.246 381 V C 2.542 178.733 176.094 0.162 0.000 1.047 381 V CA 1.654 64.067 62.300 0.188 0.000 1.035 381 V CB -0.739 31.277 31.823 0.322 0.000 0.658 381 V HN 0.171 nan 8.190 nan 0.000 0.452 382 A N -0.208 122.718 122.820 0.176 0.000 1.902 382 A HA -0.158 4.168 4.320 0.009 0.000 0.217 382 A C 2.401 179.973 177.584 -0.021 0.000 1.181 382 A CA 2.029 54.160 52.037 0.157 0.000 0.623 382 A CB -0.661 18.511 19.000 0.288 0.000 0.818 382 A HN 0.330 nan 8.150 nan 0.000 0.443 383 V N -0.807 119.047 119.914 -0.100 0.000 2.343 383 V HA -0.326 3.799 4.120 0.009 0.000 0.247 383 V C 2.639 178.594 176.094 -0.232 0.000 1.051 383 V CA 2.085 64.283 62.300 -0.170 0.000 1.036 383 V CB -1.029 30.695 31.823 -0.166 0.000 0.654 383 V HN 0.716 nan 8.190 nan 0.000 0.451 384 C N -0.459 118.645 119.300 -0.326 0.000 2.422 384 C HA -0.151 4.314 4.460 0.009 0.000 0.279 384 C C 2.610 177.208 174.990 -0.653 0.000 1.305 384 C CA 1.033 59.624 59.018 -0.711 0.000 1.757 384 C CB -1.030 25.983 27.740 -1.213 0.000 1.962 384 C HN 0.532 nan 8.230 nan 0.000 0.499 385 M N -0.014 119.453 119.600 -0.222 0.000 2.618 385 M HA 0.036 4.522 4.480 0.009 0.000 0.240 385 M C 0.508 176.799 176.300 -0.014 0.000 1.123 385 M CA 0.781 56.103 55.300 0.037 0.000 1.060 385 M CB -0.374 32.347 32.600 0.202 0.000 1.535 385 M HN 0.228 nan 8.290 nan 0.000 0.507 386 D N 1.420 121.761 120.400 -0.098 0.000 2.723 386 D HA -0.151 4.494 4.640 0.009 0.000 0.236 386 D C -0.898 175.375 176.300 -0.045 0.000 1.138 386 D CA 0.508 54.457 54.000 -0.085 0.000 0.676 386 D CB -0.902 39.856 40.800 -0.071 0.000 1.069 386 D HN 0.310 nan 8.370 nan 0.000 0.430 387 L N -0.300 120.901 121.223 -0.036 0.000 2.416 387 L HA 0.390 4.736 4.340 0.009 0.000 0.262 387 L C 0.943 177.758 176.870 -0.092 0.000 1.093 387 L CA -0.838 54.000 54.840 -0.002 0.000 0.801 387 L CB 0.626 42.747 42.059 0.103 0.000 1.191 387 L HN -0.028 nan 8.230 nan 0.000 0.459 388 D N 0.363 120.729 120.400 -0.055 0.000 2.435 388 D HA 0.024 4.670 4.640 0.009 0.000 0.230 388 D C 1.000 177.118 176.300 -0.303 0.000 1.215 388 D CA -0.202 53.727 54.000 -0.118 0.000 0.947 388 D CB 0.742 41.529 40.800 -0.022 0.000 1.048 388 D HN 0.592 nan 8.370 nan 0.000 0.512 389 T N 0.612 114.794 114.554 -0.619 0.000 3.194 389 T HA 0.064 4.419 4.350 0.009 0.000 0.251 389 T C 1.346 175.684 174.700 -0.602 0.000 1.132 389 T CA 0.076 61.376 62.100 -1.333 0.000 1.028 389 T CB -0.048 67.972 68.868 -1.414 0.000 0.976 389 T HN 0.269 nan 8.240 nan 0.000 0.535 390 R N 0.397 120.740 120.500 -0.261 0.000 2.297 390 R HA 0.247 4.592 4.340 0.009 0.000 0.197 390 R C 0.606 176.924 176.300 0.031 0.000 0.943 390 R CA 0.228 56.276 56.100 -0.088 0.000 1.038 390 R CB 0.320 30.577 30.300 -0.073 0.000 0.957 390 R HN 0.314 nan 8.270 nan 0.000 0.484 391 T N -0.867 113.750 114.554 0.105 0.000 2.956 391 T HA 0.102 4.458 4.350 0.009 0.000 0.312 391 T C 1.055 175.935 174.700 0.299 0.000 1.151 391 T CA -0.592 61.608 62.100 0.166 0.000 1.024 391 T CB 1.749 70.677 68.868 0.100 0.000 1.140 391 T HN 0.187 nan 8.240 nan 0.000 0.473 392 T N 0.837 115.520 114.554 0.216 0.000 2.821 392 T HA -0.093 4.263 4.350 0.009 0.000 0.267 392 T C 2.153 176.910 174.700 0.095 0.000 1.046 392 T CA 1.669 63.856 62.100 0.144 0.000 1.139 392 T CB -0.684 68.221 68.868 0.061 0.000 0.871 392 T HN 0.703 nan 8.240 nan 0.000 0.454 393 S N 2.192 117.947 115.700 0.092 0.000 2.537 393 S HA -0.084 4.391 4.470 0.009 0.000 0.240 393 S C 2.108 176.758 174.600 0.082 0.000 0.981 393 S CA 0.921 59.160 58.200 0.066 0.000 0.948 393 S CB -0.941 62.291 63.200 0.053 0.000 0.759 393 S HN 0.777 nan 8.310 nan 0.000 0.531 394 S N 1.562 117.346 115.700 0.141 0.000 2.527 394 S HA 0.240 4.716 4.470 0.009 0.000 0.222 394 S C 0.951 175.636 174.600 0.142 0.000 0.985 394 S CA 0.219 58.510 58.200 0.151 0.000 0.921 394 S CB -0.942 62.382 63.200 0.207 0.000 0.772 394 S HN 0.644 nan 8.310 nan 0.000 0.529 395 L N 0.986 122.265 121.223 0.094 0.000 3.717 395 L HA -0.166 4.179 4.340 0.009 0.000 0.411 395 L C 1.571 178.462 176.870 0.035 0.000 1.233 395 L CA 0.639 55.478 54.840 -0.001 0.000 0.917 395 L CB -2.476 39.588 42.059 0.008 0.000 1.902 395 L HN 0.734 nan 8.230 nan 0.000 0.894 396 W N -0.022 121.291 121.300 0.022 0.000 2.363 396 W HA -0.128 4.538 4.660 0.009 0.000 0.296 396 W C 1.715 178.254 176.519 0.033 0.000 1.212 396 W CA 1.294 58.655 57.345 0.028 0.000 1.260 396 W CB -0.687 28.787 29.460 0.022 0.000 1.131 396 W HN 0.279 nan 8.180 nan 0.000 0.530 397 K N 1.068 121.077 120.400 -0.652 0.000 2.057 397 K HA -0.153 4.172 4.320 0.009 0.000 0.206 397 K C 1.534 178.008 176.600 -0.210 0.000 1.050 397 K CA 2.299 58.232 56.287 -0.590 0.000 0.935 397 K CB -0.346 31.635 32.500 -0.865 0.000 0.715 397 K HN 0.042 nan 8.250 nan 0.000 0.439 398 D N 0.787 121.082 120.400 -0.175 0.000 2.097 398 D HA -0.134 4.511 4.640 0.009 0.000 0.195 398 D C 1.675 177.970 176.300 -0.007 0.000 0.989 398 D CA 1.256 55.207 54.000 -0.081 0.000 0.827 398 D CB 0.018 40.779 40.800 -0.066 0.000 0.966 398 D HN 0.115 nan 8.370 nan 0.000 0.456 399 K N 0.506 120.929 120.400 0.038 0.000 2.026 399 K HA -0.041 4.285 4.320 0.009 0.000 0.208 399 K C 2.225 178.893 176.600 0.113 0.000 1.048 399 K CA 1.164 57.502 56.287 0.084 0.000 0.929 399 K CB -0.180 32.392 32.500 0.119 0.000 0.713 399 K HN 0.092 nan 8.250 nan 0.000 0.439 400 A N 1.598 124.506 122.820 0.147 0.000 1.902 400 A HA -0.115 4.210 4.320 0.009 0.000 0.217 400 A C 2.401 180.069 177.584 0.141 0.000 1.181 400 A CA 1.836 53.987 52.037 0.191 0.000 0.623 400 A CB -0.740 18.412 19.000 0.254 0.000 0.818 400 A HN 0.335 nan 8.150 nan 0.000 0.443 401 A N -0.555 122.306 122.820 0.069 0.000 1.908 401 A HA -0.030 4.296 4.320 0.009 0.000 0.218 401 A C 2.243 179.837 177.584 0.017 0.000 1.181 401 A CA 1.854 53.904 52.037 0.022 0.000 0.627 401 A CB -0.973 18.003 19.000 -0.040 0.000 0.818 401 A HN 0.388 nan 8.150 nan 0.000 0.445 402 V N 0.349 120.280 119.914 0.028 0.000 2.295 402 V HA -0.226 3.899 4.120 0.009 0.000 0.246 402 V C 2.578 178.698 176.094 0.044 0.000 1.049 402 V CA 2.214 64.534 62.300 0.033 0.000 1.024 402 V CB -0.704 31.148 31.823 0.049 0.000 0.648 402 V HN 0.532 nan 8.190 nan 0.000 0.447 403 E N -0.161 120.090 120.200 0.086 0.000 2.153 403 E HA -0.137 4.219 4.350 0.009 0.000 0.194 403 E C 2.101 178.718 176.600 0.029 0.000 0.988 403 E CA 1.187 57.658 56.400 0.119 0.000 0.811 403 E CB -0.307 29.480 29.700 0.144 0.000 0.746 403 E HN 0.595 nan 8.360 nan 0.000 0.466 404 I N 1.475 122.085 120.570 0.067 0.000 2.252 404 I HA -0.242 3.934 4.170 0.009 0.000 0.245 404 I C 2.138 178.218 176.117 -0.061 0.000 1.102 404 I CA 0.805 62.139 61.300 0.057 0.000 1.385 404 I CB -0.292 37.812 38.000 0.173 0.000 1.064 404 I HN 0.071 nan 8.210 nan 0.000 0.414 405 N N 0.727 119.392 118.700 -0.058 0.000 2.166 405 N HA -0.172 4.573 4.740 0.009 0.000 0.186 405 N C 1.924 177.377 175.510 -0.096 0.000 1.019 405 N CA 1.182 54.178 53.050 -0.089 0.000 0.856 405 N CB -0.129 38.314 38.487 -0.074 0.000 0.993 405 N HN 0.205 nan 8.380 nan 0.000 0.426 406 L N 1.527 122.686 121.223 -0.107 0.000 2.093 406 L HA -0.035 4.310 4.340 0.009 0.000 0.208 406 L C 2.263 178.981 176.870 -0.253 0.000 1.085 406 L CA 1.346 56.086 54.840 -0.166 0.000 0.755 406 L CB -0.702 41.230 42.059 -0.212 0.000 0.904 406 L HN 0.044 nan 8.230 nan 0.000 0.435 407 A N -1.147 121.460 122.820 -0.355 0.000 1.902 407 A HA -0.160 4.166 4.320 0.009 0.000 0.217 407 A C 2.267 179.772 177.584 -0.131 0.000 1.181 407 A CA 2.024 53.819 52.037 -0.405 0.000 0.623 407 A CB -1.115 17.359 19.000 -0.876 0.000 0.818 407 A HN 0.295 nan 8.150 nan 0.000 0.443 408 V N 0.059 119.912 119.914 -0.102 0.000 2.287 408 V HA -0.282 3.843 4.120 0.009 0.000 0.248 408 V C 2.594 178.691 176.094 0.005 0.000 1.053 408 V CA 2.082 64.364 62.300 -0.030 0.000 1.027 408 V CB -0.799 30.923 31.823 -0.168 0.000 0.646 408 V HN 0.576 nan 8.190 nan 0.000 0.447 409 L N -0.588 120.604 121.223 -0.052 0.000 1.994 409 L HA -0.241 4.105 4.340 0.009 0.000 0.208 409 L C 2.632 179.529 176.870 0.044 0.000 1.071 409 L CA 2.282 57.112 54.840 -0.016 0.000 0.745 409 L CB -0.864 41.179 42.059 -0.025 0.000 0.892 409 L HN 0.486 nan 8.230 nan 0.000 0.431 410 H N -0.275 118.748 119.070 -0.079 0.000 2.319 410 H HA -0.167 4.395 4.556 0.010 0.000 0.299 410 H C 2.340 177.656 175.328 -0.021 0.000 1.092 410 H CA 2.110 58.107 56.048 -0.086 0.000 1.302 410 H CB -0.052 29.595 29.762 -0.192 0.000 1.373 410 H HN 0.164 nan 8.280 nan 0.000 0.497 411 S N -0.483 115.164 115.700 -0.088 0.000 2.356 411 S HA -0.123 4.353 4.470 0.009 0.000 0.223 411 S C 2.043 176.617 174.600 -0.043 0.000 1.032 411 S CA 1.299 59.439 58.200 -0.100 0.000 1.005 411 S CB -0.541 62.700 63.200 0.068 0.000 0.867 411 S HN 0.397 nan 8.310 nan 0.000 0.449 412 F N 1.878 121.767 119.950 -0.102 0.000 2.171 412 F HA -0.136 4.396 4.527 0.009 0.000 0.300 412 F C 2.794 178.539 175.800 -0.091 0.000 1.090 412 F CA 1.094 59.057 58.000 -0.062 0.000 1.293 412 F CB -0.263 38.725 39.000 -0.020 0.000 1.013 412 F HN 0.212 nan 8.300 nan 0.000 0.486 413 Q N 0.020 119.855 119.800 0.057 0.000 2.084 413 Q HA -0.206 4.139 4.340 0.009 0.000 0.202 413 Q C 2.353 178.291 176.000 -0.103 0.000 0.978 413 Q CA 1.296 57.083 55.803 -0.028 0.000 0.844 413 Q CB -0.293 28.421 28.738 -0.039 0.000 0.898 413 Q HN 0.479 nan 8.270 nan 0.000 0.426 414 L N -0.005 121.095 121.223 -0.205 0.000 2.046 414 L HA -0.138 4.208 4.340 0.009 0.000 0.208 414 L C 1.939 178.723 176.870 -0.144 0.000 1.077 414 L CA 1.067 55.776 54.840 -0.218 0.000 0.747 414 L CB -0.236 41.611 42.059 -0.354 0.000 0.896 414 L HN 0.189 nan 8.230 nan 0.000 0.432 415 A N -1.292 121.438 122.820 -0.150 0.000 2.238 415 A HA -0.042 4.284 4.320 0.009 0.000 0.208 415 A C 0.621 178.138 177.584 -0.111 0.000 1.177 415 A CA -0.005 51.949 52.037 -0.139 0.000 0.804 415 A CB -0.085 18.796 19.000 -0.200 0.000 0.823 415 A HN 0.390 nan 8.150 nan 0.000 0.482 416 K N -1.054 119.295 120.400 -0.086 0.000 3.148 416 K HA -0.131 4.195 4.320 0.009 0.000 0.267 416 K C -0.574 175.996 176.600 -0.051 0.000 0.996 416 K CA 0.764 57.014 56.287 -0.061 0.000 0.737 416 K CB -2.787 29.678 32.500 -0.058 0.000 1.308 416 K HN 0.300 nan 8.250 nan 0.000 0.470 417 V N 0.922 120.817 119.914 -0.032 0.000 2.459 417 V HA 0.222 4.347 4.120 0.009 0.000 0.295 417 V C 0.823 177.003 176.094 0.143 0.000 1.029 417 V CA -0.766 61.546 62.300 0.020 0.000 0.874 417 V CB 2.077 33.830 31.823 -0.116 0.000 0.985 417 V HN 0.319 nan 8.190 nan 0.000 0.438 418 T N 6.305 120.905 114.554 0.076 0.000 2.934 418 T HA 0.434 4.789 4.350 0.009 0.000 0.306 418 T C -0.238 174.530 174.700 0.113 0.000 1.042 418 T CA 0.810 62.882 62.100 -0.048 0.000 1.145 418 T CB 0.119 68.809 68.868 -0.296 0.000 0.982 418 T HN 0.589 nan 8.240 nan 0.000 0.544 419 I N 2.078 122.649 120.570 0.001 0.000 2.882 419 I HA 0.585 4.761 4.170 0.009 0.000 0.298 419 I C -1.737 174.405 176.117 0.042 0.000 1.462 419 I CA -0.920 60.421 61.300 0.069 0.000 1.000 419 I CB 1.854 39.824 38.000 -0.050 0.000 1.340 419 I HN 0.453 nan 8.210 nan 0.000 0.462 420 V N 5.091 125.088 119.914 0.138 0.000 2.638 420 V HA 0.478 4.603 4.120 0.009 0.000 0.306 420 V C -1.151 174.996 176.094 0.089 0.000 1.052 420 V CA -0.268 62.114 62.300 0.136 0.000 0.885 420 V CB 2.193 34.182 31.823 0.277 0.000 0.999 420 V HN 0.874 nan 8.190 nan 0.000 0.424 421 D N 4.087 124.517 120.400 0.051 0.000 2.358 421 D HA 0.171 4.817 4.640 0.009 0.000 0.244 421 D C 1.285 177.586 176.300 0.001 0.000 1.163 421 D CA 0.162 54.178 54.000 0.026 0.000 0.945 421 D CB 0.487 41.274 40.800 -0.021 0.000 1.152 421 D HN 0.736 nan 8.370 nan 0.000 0.451 422 H N 0.100 119.091 119.070 -0.132 0.000 2.489 422 H HA -0.143 4.418 4.556 0.009 0.000 0.293 422 H C 0.894 176.118 175.328 -0.174 0.000 1.066 422 H CA 1.310 57.248 56.048 -0.183 0.000 1.305 422 H CB -0.535 29.061 29.762 -0.277 0.000 1.386 422 H HN 0.528 nan 8.280 nan 0.000 0.551 423 H N 1.088 119.958 119.070 -0.334 0.000 2.343 423 H HA 0.176 4.738 4.556 0.009 0.000 0.303 423 H C 2.530 177.833 175.328 -0.042 0.000 1.068 423 H CA 1.276 57.217 56.048 -0.178 0.000 1.359 423 H CB -0.311 29.313 29.762 -0.231 0.000 1.402 423 H HN 0.499 nan 8.280 nan 0.000 0.515 424 A N 1.453 124.326 122.820 0.088 0.000 1.902 424 A HA -0.083 4.243 4.320 0.009 0.000 0.217 424 A C 2.683 180.338 177.584 0.117 0.000 1.181 424 A CA 1.762 53.854 52.037 0.092 0.000 0.623 424 A CB -0.818 18.228 19.000 0.077 0.000 0.818 424 A HN 0.426 nan 8.150 nan 0.000 0.443 425 A N -0.214 122.675 122.820 0.115 0.000 1.902 425 A HA -0.113 4.213 4.320 0.009 0.000 0.217 425 A C 2.440 180.122 177.584 0.163 0.000 1.181 425 A CA 2.578 54.702 52.037 0.145 0.000 0.623 425 A CB -1.378 17.696 19.000 0.123 0.000 0.818 425 A HN 0.745 nan 8.150 nan 0.000 0.443 426 T N -2.785 111.850 114.554 0.135 0.000 2.857 426 T HA -0.056 4.299 4.350 0.009 0.000 0.266 426 T C 1.687 176.517 174.700 0.216 0.000 1.048 426 T CA 1.293 63.498 62.100 0.174 0.000 1.139 426 T CB -0.675 68.265 68.868 0.121 0.000 0.874 426 T HN 0.050 nan 8.240 nan 0.000 0.455 427 V N 2.875 122.890 119.914 0.168 0.000 2.343 427 V HA -0.172 3.954 4.120 0.009 0.000 0.247 427 V C 3.219 179.403 176.094 0.150 0.000 1.051 427 V CA 2.079 64.467 62.300 0.146 0.000 1.036 427 V CB -0.942 30.948 31.823 0.112 0.000 0.654 427 V HN 0.797 nan 8.190 nan 0.000 0.451 428 S N -0.216 115.583 115.700 0.166 0.000 2.402 428 S HA -0.214 4.262 4.470 0.009 0.000 0.229 428 S C 1.964 176.686 174.600 0.204 0.000 1.021 428 S CA 1.473 59.772 58.200 0.165 0.000 0.974 428 S CB -0.733 62.570 63.200 0.172 0.000 0.800 428 S HN 0.504 nan 8.310 nan 0.000 0.484 429 F N 2.110 122.124 119.950 0.107 0.000 2.234 429 F HA 0.124 4.656 4.527 0.009 0.000 0.299 429 F C 2.224 178.114 175.800 0.150 0.000 1.087 429 F CA 1.050 59.126 58.000 0.128 0.000 1.340 429 F CB -0.318 38.737 39.000 0.092 0.000 1.031 429 F HN 0.102 nan 8.300 nan 0.000 0.500 430 M N 0.030 119.704 119.600 0.125 0.000 2.175 430 M HA -0.158 4.328 4.480 0.009 0.000 0.264 430 M C 2.180 178.458 176.300 -0.036 0.000 1.063 430 M CA 1.402 56.721 55.300 0.032 0.000 1.119 430 M CB -1.155 31.510 32.600 0.107 0.000 1.377 430 M HN 0.071 nan 8.290 nan 0.000 0.415 431 K N -0.232 120.175 120.400 0.013 0.000 2.057 431 K HA -0.195 4.130 4.320 0.009 0.000 0.206 431 K C 1.963 178.544 176.600 -0.031 0.000 1.050 431 K CA 1.718 58.008 56.287 0.006 0.000 0.935 431 K CB -0.622 31.905 32.500 0.046 0.000 0.715 431 K HN 0.361 nan 8.250 nan 0.000 0.439 432 H N 0.125 119.105 119.070 -0.150 0.000 2.352 432 H HA -0.023 4.538 4.556 0.009 0.000 0.299 432 H C 1.699 176.862 175.328 -0.275 0.000 1.097 432 H CA 2.244 58.173 56.048 -0.197 0.000 1.311 432 H CB -0.204 29.401 29.762 -0.262 0.000 1.377 432 H HN 0.174 nan 8.280 nan 0.000 0.504 433 L N -0.249 120.689 121.223 -0.475 0.000 2.042 433 L HA -0.179 4.167 4.340 0.009 0.000 0.210 433 L C 2.305 179.019 176.870 -0.260 0.000 1.076 433 L CA 1.824 56.413 54.840 -0.419 0.000 0.749 433 L CB -0.475 41.400 42.059 -0.306 0.000 0.893 433 L HN 0.390 nan 8.230 nan 0.000 0.432 434 D N -0.106 120.188 120.400 -0.176 0.000 2.117 434 D HA -0.179 4.467 4.640 0.009 0.000 0.198 434 D C 1.928 178.157 176.300 -0.118 0.000 0.982 434 D CA 1.141 55.075 54.000 -0.110 0.000 0.828 434 D CB 0.076 40.838 40.800 -0.063 0.000 0.967 434 D HN 0.151 nan 8.370 nan 0.000 0.464 435 N N 0.538 119.156 118.700 -0.137 0.000 2.084 435 N HA -0.132 4.613 4.740 0.009 0.000 0.190 435 N C 1.619 177.042 175.510 -0.144 0.000 1.030 435 N CA 0.882 53.869 53.050 -0.105 0.000 0.849 435 N CB -0.289 38.162 38.487 -0.060 0.000 1.012 435 N HN 0.342 nan 8.380 nan 0.000 0.423 436 E N 0.673 120.705 120.200 -0.279 0.000 2.150 436 E HA -0.156 4.200 4.350 0.009 0.000 0.193 436 E C 1.877 178.378 176.600 -0.164 0.000 0.985 436 E CA 0.548 56.785 56.400 -0.271 0.000 0.814 436 E CB -0.113 29.314 29.700 -0.455 0.000 0.752 436 E HN 0.329 nan 8.360 nan 0.000 0.466 437 Q N 1.488 121.202 119.800 -0.144 0.000 2.084 437 Q HA -0.129 4.217 4.340 0.009 0.000 0.202 437 Q C 1.775 177.730 176.000 -0.074 0.000 0.978 437 Q CA 1.683 57.431 55.803 -0.091 0.000 0.844 437 Q CB 0.046 28.740 28.738 -0.074 0.000 0.898 437 Q HN 0.136 nan 8.270 nan 0.000 0.426 438 K N -0.911 119.447 120.400 -0.071 0.000 2.076 438 K HA 0.049 4.374 4.320 0.009 0.000 0.204 438 K C 2.028 178.599 176.600 -0.048 0.000 1.051 438 K CA 0.960 57.216 56.287 -0.052 0.000 0.949 438 K CB -0.149 32.325 32.500 -0.042 0.000 0.726 438 K HN 0.225 nan 8.250 nan 0.000 0.443 439 A N 1.332 124.121 122.820 -0.050 0.000 1.929 439 A HA -0.069 4.256 4.320 0.009 0.000 0.216 439 A C 1.771 179.329 177.584 -0.044 0.000 1.176 439 A CA 1.158 53.176 52.037 -0.032 0.000 0.628 439 A CB -0.019 18.977 19.000 -0.007 0.000 0.816 439 A HN 0.171 nan 8.150 nan 0.000 0.444 440 R N -2.693 117.768 120.500 -0.066 0.000 2.541 440 R HA 0.266 4.611 4.340 0.009 0.000 0.332 440 R C 0.819 177.078 176.300 -0.067 0.000 0.951 440 R CA 0.510 56.573 56.100 -0.062 0.000 1.136 440 R CB 0.694 30.953 30.300 -0.068 0.000 1.449 440 R HN 0.689 nan 8.270 nan 0.000 0.531 441 G N 0.966 109.721 108.800 -0.076 0.000 2.137 441 G HA2 -0.166 3.799 3.960 0.009 0.000 0.237 441 G HA3 -0.166 3.799 3.960 0.009 0.000 0.237 441 G C 0.220 175.085 174.900 -0.059 0.000 1.002 441 G CA 0.053 45.100 45.100 -0.088 0.000 0.702 441 G HN 0.735 nan 8.290 nan 0.000 0.515 442 G N -2.401 106.378 108.800 -0.036 0.000 2.356 442 G HA2 0.534 4.500 3.960 0.009 0.000 0.300 442 G HA3 0.534 4.500 3.960 0.009 0.000 0.300 442 G C -0.784 174.128 174.900 0.021 0.000 1.331 442 G CA 0.422 45.537 45.100 0.024 0.000 0.905 442 G HN 1.983 nan 8.290 nan 0.000 0.587 443 C N 1.925 121.268 119.300 0.072 0.000 2.817 443 C HA 0.730 5.196 4.460 0.009 0.000 0.385 443 C C -2.555 172.415 174.990 -0.034 0.000 1.050 443 C CA -1.141 57.872 59.018 -0.007 0.000 1.245 443 C CB 1.373 29.054 27.740 -0.099 0.000 1.706 443 C HN 0.725 nan 8.230 nan 0.000 0.488 444 P HA 0.411 nan 4.420 nan 0.000 0.271 444 P C -0.710 176.477 177.300 -0.189 0.000 1.226 444 P CA 0.531 63.230 63.100 -0.669 0.000 0.765 444 P CB 1.098 32.165 31.700 -1.054 0.000 0.835 445 A N 2.710 125.490 122.820 -0.066 0.000 2.459 445 A HA 0.384 4.710 4.320 0.009 0.000 0.296 445 A C -1.001 176.637 177.584 0.090 0.000 1.039 445 A CA -0.569 51.520 52.037 0.086 0.000 0.698 445 A CB 1.247 20.413 19.000 0.277 0.000 1.261 445 A HN 0.444 nan 8.150 nan 0.000 0.405 446 D N 2.202 122.645 120.400 0.071 0.000 2.456 446 D HA 0.119 4.765 4.640 0.009 0.000 0.219 446 D C 0.863 177.298 176.300 0.225 0.000 1.126 446 D CA -0.452 53.626 54.000 0.130 0.000 0.890 446 D CB 0.315 41.138 40.800 0.039 0.000 1.025 446 D HN 0.611 nan 8.370 nan 0.000 0.511 447 W N 4.262 125.606 121.300 0.073 0.000 2.304 447 W HA -0.340 4.326 4.660 0.010 0.000 0.315 447 W C 2.006 178.561 176.519 0.060 0.000 1.233 447 W CA 2.559 59.932 57.345 0.046 0.000 1.261 447 W CB -0.050 29.412 29.460 0.004 0.000 1.150 447 W HN 0.560 nan 8.180 nan 0.000 0.494 448 A N -1.381 121.722 122.820 0.473 0.000 2.024 448 A HA -0.212 4.114 4.320 0.009 0.000 0.220 448 A C 1.447 179.086 177.584 0.090 0.000 1.164 448 A CA 1.705 53.931 52.037 0.314 0.000 0.643 448 A CB -1.242 17.973 19.000 0.358 0.000 0.806 448 A HN 0.554 nan 8.150 nan 0.000 0.451 449 W N -1.199 120.072 121.300 -0.047 0.000 2.872 449 W HA 0.237 4.903 4.660 0.009 0.000 0.266 449 W C 1.792 178.198 176.519 -0.187 0.000 1.276 449 W CA -0.224 57.069 57.345 -0.087 0.000 1.471 449 W CB 0.029 29.465 29.460 -0.040 0.000 1.071 449 W HN 0.128 nan 8.180 nan 0.000 0.619 450 I N -0.213 120.315 120.570 -0.070 0.000 2.333 450 I HA -0.055 4.120 4.170 0.009 0.000 0.246 450 I C 0.695 176.609 176.117 -0.339 0.000 1.106 450 I CA 0.767 61.896 61.300 -0.285 0.000 1.411 450 I CB -1.397 36.370 38.000 -0.388 0.000 1.082 450 I HN -0.425 nan 8.210 nan 0.000 0.420 451 V N 3.952 123.573 119.914 -0.487 0.000 2.521 451 V HA 0.071 4.196 4.120 0.009 0.000 0.286 451 V C -1.893 174.021 176.094 -0.301 0.000 1.034 451 V CA -1.007 60.999 62.300 -0.491 0.000 1.045 451 V CB 0.102 31.378 31.823 -0.913 0.000 0.974 451 V HN 0.132 nan 8.190 nan 0.000 0.480 452 P HA 0.115 nan 4.420 nan 0.000 0.269 452 P C -1.788 175.385 177.300 -0.211 0.000 1.217 452 P CA -1.063 61.917 63.100 -0.199 0.000 0.783 452 P CB 0.043 31.637 31.700 -0.176 0.000 0.898 453 P HA -0.000 nan 4.420 nan 0.000 0.233 453 P C 0.153 177.338 177.300 -0.192 0.000 1.167 453 P CA 1.113 64.092 63.100 -0.202 0.000 0.770 453 P CB 0.038 31.613 31.700 -0.210 0.000 0.837 454 I N -6.636 113.783 120.570 -0.251 0.000 2.828 454 I HA 0.463 4.639 4.170 0.009 0.000 0.302 454 I C -0.036 175.968 176.117 -0.188 0.000 1.101 454 I CA -1.250 59.919 61.300 -0.219 0.000 1.031 454 I CB 1.969 39.811 38.000 -0.263 0.000 1.231 454 I HN -0.406 nan 8.210 nan 0.000 0.427 455 S N 2.215 117.859 115.700 -0.092 0.000 3.521 455 S HA -0.203 4.273 4.470 0.009 0.000 0.362 455 S C 1.399 175.977 174.600 -0.036 0.000 1.044 455 S CA 0.826 59.014 58.200 -0.020 0.000 1.091 455 S CB -1.699 61.566 63.200 0.107 0.000 0.908 455 S HN 1.259 nan 8.310 nan 0.000 0.473 456 G N 2.261 111.015 108.800 -0.078 0.000 2.599 456 G HA2 -0.331 3.635 3.960 0.009 0.000 0.219 456 G HA3 -0.331 3.635 3.960 0.009 0.000 0.219 456 G C 1.436 176.229 174.900 -0.178 0.000 1.193 456 G CA 1.530 46.598 45.100 -0.054 0.000 0.778 456 G HN 1.281 nan 8.290 nan 0.000 0.589 457 S N 0.246 115.579 115.700 -0.612 0.000 2.603 457 S HA 0.193 4.669 4.470 0.009 0.000 0.229 457 S C 2.032 176.542 174.600 -0.149 0.000 0.972 457 S CA 0.478 58.131 58.200 -0.913 0.000 0.935 457 S CB -0.154 62.317 63.200 -1.214 0.000 0.769 457 S HN 0.324 nan 8.310 nan 0.000 0.536 458 L N 1.946 123.149 121.223 -0.033 0.000 2.554 458 L HA 0.143 4.489 4.340 0.009 0.000 0.226 458 L C 1.295 178.279 176.870 0.189 0.000 1.137 458 L CA 0.469 55.372 54.840 0.105 0.000 0.863 458 L CB -0.896 41.252 42.059 0.150 0.000 0.985 458 L HN 0.484 nan 8.230 nan 0.000 0.451 459 T N -4.197 110.459 114.554 0.170 0.000 2.943 459 T HA 0.314 4.669 4.350 0.009 0.000 0.284 459 T C -1.668 173.187 174.700 0.259 0.000 1.015 459 T CA -1.936 60.286 62.100 0.204 0.000 1.042 459 T CB 1.937 70.886 68.868 0.134 0.000 1.055 459 T HN -0.198 nan 8.240 nan 0.000 0.500 460 P HA -0.061 nan 4.420 nan 0.000 0.219 460 P C 1.824 179.313 177.300 0.315 0.000 1.150 460 P CA 1.023 64.309 63.100 0.309 0.000 0.814 460 P CB -0.341 31.494 31.700 0.225 0.000 0.787 461 V N -3.567 116.486 119.914 0.232 0.000 2.594 461 V HA -0.197 3.928 4.120 0.009 0.000 0.253 461 V C 2.384 178.572 176.094 0.157 0.000 1.069 461 V CA 1.201 63.615 62.300 0.190 0.000 1.082 461 V CB -2.262 29.609 31.823 0.080 0.000 0.680 461 V HN -0.114 nan 8.190 nan 0.000 0.469 462 F N 1.785 121.702 119.950 -0.054 0.000 2.126 462 F HA -0.178 4.355 4.527 0.009 0.000 0.299 462 F C 2.461 178.351 175.800 0.150 0.000 1.096 462 F CA 2.263 60.234 58.000 -0.049 0.000 1.255 462 F CB -0.240 38.596 39.000 -0.273 0.000 0.997 462 F HN 0.276 nan 8.300 nan 0.000 0.479 463 H N -0.807 118.617 119.070 0.590 0.000 2.533 463 H HA 0.101 4.662 4.556 0.009 0.000 0.271 463 H C 0.197 175.782 175.328 0.429 0.000 1.000 463 H CA 0.257 56.603 56.048 0.497 0.000 1.149 463 H CB -0.285 29.741 29.762 0.439 0.000 1.375 463 H HN 0.274 nan 8.280 nan 0.000 0.582 464 Q N 1.889 121.961 119.800 0.454 0.000 2.347 464 Q HA 0.175 4.521 4.340 0.009 0.000 0.262 464 Q C -0.602 175.627 176.000 0.381 0.000 0.980 464 Q CA -0.471 55.552 55.803 0.367 0.000 0.867 464 Q CB 0.889 29.810 28.738 0.305 0.000 1.242 464 Q HN 0.226 nan 8.270 nan 0.000 0.453 465 E N 3.315 123.690 120.200 0.292 0.000 2.390 465 E HA 0.293 4.648 4.350 0.009 0.000 0.261 465 E C -0.496 176.238 176.600 0.224 0.000 1.076 465 E CA 0.213 56.742 56.400 0.216 0.000 0.905 465 E CB 0.864 30.665 29.700 0.169 0.000 0.984 465 E HN 0.600 nan 8.360 nan 0.000 0.427 466 M N 1.219 120.950 119.600 0.219 0.000 2.550 466 M HA 0.369 4.855 4.480 0.009 0.000 0.292 466 M C -1.263 175.145 176.300 0.181 0.000 1.221 466 M CA -0.981 54.455 55.300 0.227 0.000 0.873 466 M CB 2.443 35.228 32.600 0.309 0.000 1.727 466 M HN 0.156 nan 8.290 nan 0.000 0.459 467 V N 1.568 121.600 119.914 0.196 0.000 2.417 467 V HA 0.414 4.539 4.120 0.009 0.000 0.291 467 V C -0.637 175.591 176.094 0.223 0.000 1.024 467 V CA -0.717 61.728 62.300 0.242 0.000 0.861 467 V CB 1.560 33.579 31.823 0.327 0.000 0.985 467 V HN 0.872 nan 8.190 nan 0.000 0.436 468 N N 3.585 122.404 118.700 0.198 0.000 2.372 468 N HA 0.708 5.454 4.740 0.009 0.000 0.291 468 N C -1.601 174.017 175.510 0.180 0.000 1.024 468 N CA -0.430 52.654 53.050 0.057 0.000 0.873 468 N CB 1.683 40.203 38.487 0.056 0.000 1.206 468 N HN 0.739 nan 8.380 nan 0.000 0.486 469 Y N 0.729 121.047 120.300 0.031 0.000 2.677 469 Y HA 0.493 5.048 4.550 0.009 0.000 0.334 469 Y C -1.393 174.508 175.900 0.003 0.000 1.196 469 Y CA -1.187 56.925 58.100 0.020 0.000 1.059 469 Y CB 0.778 39.255 38.460 0.028 0.000 1.315 469 Y HN 0.165 nan 8.280 nan 0.000 0.455 470 I N 3.416 124.079 120.570 0.155 0.000 2.321 470 I HA 0.436 4.611 4.170 0.009 0.000 0.291 470 I C -0.738 175.440 176.117 0.103 0.000 0.998 470 I CA -0.501 60.834 61.300 0.057 0.000 1.227 470 I CB 1.108 39.127 38.000 0.032 0.000 1.368 470 I HN 0.430 nan 8.210 nan 0.000 0.466 471 L N 4.954 126.204 121.223 0.044 0.000 2.333 471 L HA 0.587 4.933 4.340 0.009 0.000 0.269 471 L C -0.111 176.753 176.870 -0.010 0.000 1.010 471 L CA -0.559 54.313 54.840 0.053 0.000 0.818 471 L CB 2.118 44.211 42.059 0.056 0.000 1.306 471 L HN 0.508 nan 8.230 nan 0.000 0.430 472 S N 1.150 116.854 115.700 0.006 0.000 2.536 472 S HA 0.643 5.119 4.470 0.009 0.000 0.298 472 S C -2.618 171.990 174.600 0.013 0.000 1.083 472 S CA -1.459 56.728 58.200 -0.022 0.000 0.995 472 S CB 1.928 65.130 63.200 0.004 0.000 1.058 472 S HN 0.230 nan 8.310 nan 0.000 0.488 473 P HA 0.342 nan 4.420 nan 0.000 0.267 473 P C -1.291 175.864 177.300 -0.243 0.000 1.201 473 P CA 0.131 63.125 63.100 -0.177 0.000 0.775 473 P CB 0.461 32.011 31.700 -0.250 0.000 0.854 474 A N 1.811 124.445 122.820 -0.310 0.000 2.606 474 A HA 0.687 5.013 4.320 0.009 0.000 0.293 474 A C -1.612 175.728 177.584 -0.406 0.000 1.082 474 A CA -0.521 51.327 52.037 -0.315 0.000 0.685 474 A CB 0.835 19.738 19.000 -0.160 0.000 1.284 474 A HN 0.343 nan 8.150 nan 0.000 0.408 475 F N 0.978 120.823 119.950 -0.175 0.000 2.420 475 F HA 0.664 5.196 4.527 0.008 0.000 0.342 475 F C 0.942 176.622 175.800 -0.200 0.000 1.113 475 F CA 0.005 57.898 58.000 -0.179 0.000 1.059 475 F CB 1.817 40.655 39.000 -0.271 0.000 1.128 475 F HN 0.550 nan 8.300 nan 0.000 0.475 476 R N 1.736 122.252 120.500 0.027 0.000 2.837 476 R HA 0.473 4.818 4.340 0.009 0.000 0.271 476 R C -1.581 174.690 176.300 -0.049 0.000 0.993 476 R CA -1.229 54.815 56.100 -0.092 0.000 0.931 476 R CB 1.638 31.918 30.300 -0.033 0.000 1.206 476 R HN 0.396 nan 8.270 nan 0.000 0.474 477 Y N 1.355 121.674 120.300 0.032 0.000 2.326 477 Y HA 0.156 4.712 4.550 0.010 0.000 0.333 477 Y C 0.592 176.491 175.900 -0.001 0.000 1.240 477 Y CA -0.137 57.974 58.100 0.018 0.000 1.365 477 Y CB 0.850 39.309 38.460 -0.002 0.000 1.289 477 Y HN 0.450 nan 8.280 nan 0.000 0.548 478 Q N 1.353 121.246 119.800 0.156 0.000 2.456 478 Q HA 0.640 4.986 4.340 0.009 0.000 0.284 478 Q C -3.141 172.831 176.000 -0.047 0.000 1.061 478 Q CA -2.503 53.324 55.803 0.039 0.000 0.799 478 Q CB 2.153 30.906 28.738 0.026 0.000 1.445 478 Q HN 0.268 nan 8.270 nan 0.000 0.411 479 P HA 0.055 nan 4.420 nan 0.000 0.269 479 P C -0.917 176.171 177.300 -0.352 0.000 1.215 479 P CA 0.005 62.981 63.100 -0.208 0.000 0.780 479 P CB 0.421 32.011 31.700 -0.183 0.000 0.898 480 D N 3.353 123.410 120.400 -0.572 0.000 2.414 480 D HA 0.001 4.647 4.640 0.009 0.000 0.242 480 D C -1.034 174.664 176.300 -1.004 0.000 1.129 480 D CA -0.841 52.531 54.000 -1.047 0.000 0.885 480 D CB 0.385 40.075 40.800 -1.849 0.000 1.198 480 D HN 0.308 nan 8.370 nan 0.000 0.437 481 P HA -0.067 nan 4.420 nan 0.000 0.226 481 P C 0.230 177.188 177.300 -0.569 0.000 1.153 481 P CA 0.724 63.423 63.100 -0.668 0.000 0.777 481 P CB 0.135 31.442 31.700 -0.656 0.000 0.794 482 W N 0.000 120.902 121.300 -0.663 0.000 2.388 482 W HA 0.000 4.665 4.660 0.009 0.000 0.303 482 W CA 0.000 57.113 57.345 -0.387 0.000 1.226 482 W CB 0.000 29.214 29.460 -0.410 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535