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 3n6d_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPXXXXXXXX DATA SEQUENCE XXXXPAEQLL 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 RNLCDPSRYN 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 3.964 3.960 0.007 0.000 0.244 67 G C 0.000 174.830 174.900 -0.117 0.000 0.946 67 G CA 0.000 45.081 45.100 -0.031 0.000 0.502 68 P HA 0.267 nan 4.420 nan 0.000 0.269 68 P C 0.532 177.725 177.300 -0.179 0.000 1.209 68 P CA -0.373 62.547 63.100 -0.300 0.000 0.776 68 P CB 0.846 32.088 31.700 -0.763 0.000 0.876 69 K N 1.001 121.238 120.400 -0.271 0.000 2.393 69 K HA 0.098 4.422 4.320 0.007 0.000 0.193 69 K C -0.162 176.245 176.600 -0.322 0.000 1.026 69 K CA 0.060 56.162 56.287 -0.309 0.000 1.064 69 K CB -0.065 32.205 32.500 -0.384 0.000 0.833 69 K HN 0.265 nan 8.250 nan 0.000 0.521 70 F N 3.449 123.376 119.950 -0.038 0.000 2.382 70 F HA 0.285 4.817 4.527 0.008 0.000 0.331 70 F C -1.753 174.122 175.800 0.124 0.000 1.121 70 F CA -2.951 55.058 58.000 0.016 0.000 1.183 70 F CB -0.163 38.840 39.000 0.005 0.000 1.207 70 F HN -0.114 nan 8.300 nan 0.000 0.555 71 P HA -0.056 nan 4.420 nan 0.000 0.264 71 P C -0.531 176.921 177.300 0.253 0.000 1.183 71 P CA 0.070 63.300 63.100 0.218 0.000 0.763 71 P CB 0.495 32.283 31.700 0.146 0.000 0.807 72 R N 2.411 122.999 120.500 0.148 0.000 2.404 72 R HA 0.428 4.772 4.340 0.007 0.000 0.291 72 R C -1.086 175.150 176.300 -0.107 0.000 1.025 72 R CA -0.606 55.430 56.100 -0.107 0.000 0.991 72 R CB 0.770 31.003 30.300 -0.111 0.000 1.053 72 R HN 0.243 nan 8.270 nan 0.000 0.479 73 V N 5.154 124.947 119.914 -0.201 0.000 2.383 73 V HA 0.171 4.295 4.120 0.007 0.000 0.261 73 V C -0.105 175.921 176.094 -0.113 0.000 0.987 73 V CA -0.761 61.488 62.300 -0.085 0.000 0.853 73 V CB 0.678 32.485 31.823 -0.027 0.000 1.095 73 V HN 0.745 nan 8.190 nan 0.000 0.461 74 K N 2.509 122.824 120.400 -0.142 0.000 2.355 74 K HA 0.178 4.502 4.320 0.007 0.000 0.270 74 K C 0.220 176.703 176.600 -0.196 0.000 1.003 74 K CA -0.130 55.983 56.287 -0.290 0.000 0.957 74 K CB 0.599 32.739 32.500 -0.600 0.000 0.939 74 K HN 0.568 nan 8.250 nan 0.000 0.482 75 N N 4.521 123.092 118.700 -0.215 0.000 2.707 75 N HA 0.071 4.816 4.740 0.007 0.000 0.235 75 N C -0.264 175.241 175.510 -0.008 0.000 1.028 75 N CA -0.408 52.631 53.050 -0.019 0.000 0.906 75 N CB 0.271 38.772 38.487 0.023 0.000 1.131 75 N HN 0.650 nan 8.380 nan 0.000 0.509 76 W N 1.723 123.078 121.300 0.092 0.000 2.421 76 W HA -0.039 4.625 4.660 0.007 0.000 0.270 76 W C 2.061 178.612 176.519 0.054 0.000 1.233 76 W CA 0.257 57.651 57.345 0.082 0.000 1.226 76 W CB 0.145 29.669 29.460 0.107 0.000 1.121 76 W HN 0.604 nan 8.180 nan 0.000 0.579 77 E N 0.489 120.795 120.200 0.177 0.000 2.001 77 E HA -0.171 4.183 4.350 0.007 0.000 0.193 77 E C 1.818 178.429 176.600 0.018 0.000 0.994 77 E CA 1.289 57.695 56.400 0.010 0.000 0.815 77 E CB -0.449 29.191 29.700 -0.099 0.000 0.770 77 E HN 0.190 nan 8.360 nan 0.000 0.453 78 L N -0.328 120.902 121.223 0.012 0.000 2.599 78 L HA 0.171 4.515 4.340 0.007 0.000 0.230 78 L C 1.546 178.388 176.870 -0.047 0.000 1.141 78 L CA 0.436 55.269 54.840 -0.011 0.000 0.877 78 L CB 0.140 42.196 42.059 -0.004 0.000 1.009 78 L HN 0.511 nan 8.230 nan 0.000 0.447 79 G N 0.175 108.925 108.800 -0.083 0.000 2.205 79 G HA2 -0.358 3.606 3.960 0.007 0.000 0.269 79 G HA3 -0.358 3.606 3.960 0.007 0.000 0.269 79 G C 0.481 175.263 174.900 -0.196 0.000 0.977 79 G CA 0.619 45.613 45.100 -0.177 0.000 0.652 79 G HN 0.519 nan 8.290 nan 0.000 0.539 80 S N 0.268 115.883 115.700 -0.140 0.000 2.565 80 S HA 0.731 5.205 4.470 0.007 0.000 0.274 80 S C 0.334 174.835 174.600 -0.165 0.000 1.309 80 S CA -0.857 57.267 58.200 -0.125 0.000 1.043 80 S CB 1.643 64.799 63.200 -0.074 0.000 0.939 80 S HN 0.488 nan 8.310 nan 0.000 0.504 81 I N 2.726 123.192 120.570 -0.174 0.000 2.498 81 I HA 0.547 4.721 4.170 0.007 0.000 0.301 81 I C 0.612 176.605 176.117 -0.207 0.000 0.984 81 I CA -0.387 60.773 61.300 -0.234 0.000 1.204 81 I CB 1.071 38.888 38.000 -0.305 0.000 1.362 81 I HN 0.987 nan 8.210 nan 0.000 0.471 82 T N 1.423 115.830 114.554 -0.245 0.000 2.883 82 T HA 0.654 5.008 4.350 0.007 0.000 0.296 82 T C -1.213 173.328 174.700 -0.265 0.000 1.117 82 T CA -0.753 61.242 62.100 -0.175 0.000 1.006 82 T CB 1.817 70.646 68.868 -0.066 0.000 1.191 82 T HN 0.345 nan 8.240 nan 0.000 0.508 83 Y N 0.367 120.658 120.300 -0.014 0.000 2.350 83 Y HA 0.409 4.963 4.550 0.007 0.000 0.338 83 Y C 0.006 175.878 175.900 -0.047 0.000 0.961 83 Y CA -0.937 57.163 58.100 0.000 0.000 1.100 83 Y CB 1.743 40.208 38.460 0.008 0.000 1.179 83 Y HN 0.718 nan 8.280 nan 0.000 0.454 84 D N 2.522 123.006 120.400 0.141 0.000 2.380 84 D HA 0.043 4.687 4.640 0.007 0.000 0.230 84 D C 0.764 177.020 176.300 -0.073 0.000 1.154 84 D CA 0.159 54.180 54.000 0.035 0.000 0.859 84 D CB 1.284 42.130 40.800 0.077 0.000 1.045 84 D HN 0.784 nan 8.370 nan 0.000 0.495 85 T N 1.218 115.623 114.554 -0.248 0.000 3.040 85 T HA -0.044 4.310 4.350 0.007 0.000 0.250 85 T C 1.707 176.248 174.700 -0.265 0.000 1.058 85 T CA -0.250 61.527 62.100 -0.538 0.000 0.988 85 T CB 0.152 68.568 68.868 -0.753 0.000 0.993 85 T HN 0.230 nan 8.240 nan 0.000 0.519 86 L N 2.679 123.798 121.223 -0.173 0.000 2.005 86 L HA 0.077 4.421 4.340 0.007 0.000 0.207 86 L C 2.783 179.515 176.870 -0.231 0.000 1.072 86 L CA 1.496 56.267 54.840 -0.115 0.000 0.744 86 L CB -1.350 40.726 42.059 0.028 0.000 0.895 86 L HN 0.671 nan 8.230 nan 0.000 0.433 87 C N -0.766 118.186 119.300 -0.580 0.000 2.397 87 C HA -0.126 4.338 4.460 0.007 0.000 0.286 87 C C 2.744 177.566 174.990 -0.281 0.000 1.308 87 C CA 0.273 58.775 59.018 -0.860 0.000 1.805 87 C CB -2.412 24.712 27.740 -1.027 0.000 1.952 87 C HN 0.589 nan 8.230 nan 0.000 0.518 88 A N 0.151 122.910 122.820 -0.101 0.000 2.186 88 A HA -0.162 4.162 4.320 0.007 0.000 0.219 88 A C 2.160 179.750 177.584 0.009 0.000 1.159 88 A CA 1.725 53.778 52.037 0.027 0.000 0.680 88 A CB -0.552 18.547 19.000 0.164 0.000 0.787 88 A HN 0.876 nan 8.150 nan 0.000 0.467 89 Q N -1.030 118.761 119.800 -0.016 0.000 2.194 89 Q HA 0.144 4.489 4.340 0.007 0.000 0.214 89 Q C 0.465 176.494 176.000 0.049 0.000 0.838 89 Q CA 0.005 55.823 55.803 0.025 0.000 0.972 89 Q CB 0.551 29.312 28.738 0.038 0.000 1.131 89 Q HN 0.425 nan 8.270 nan 0.000 0.498 90 S N 2.032 117.753 115.700 0.035 0.000 3.829 90 S HA 0.009 4.484 4.470 0.007 0.000 0.250 90 S C 0.289 174.934 174.600 0.074 0.000 1.263 90 S CA -0.272 57.985 58.200 0.096 0.000 0.955 90 S CB -0.053 63.225 63.200 0.131 0.000 1.611 90 S HN 0.155 nan 8.310 nan 0.000 0.483 91 Q N 3.171 123.015 119.800 0.072 0.000 2.962 91 Q HA 0.179 4.523 4.340 0.007 0.000 0.251 91 Q C -0.319 175.718 176.000 0.061 0.000 1.380 91 Q CA 0.166 56.005 55.803 0.060 0.000 0.926 91 Q CB -0.128 28.646 28.738 0.060 0.000 1.704 91 Q HN 0.776 nan 8.270 nan 0.000 0.563 92 Q N 1.001 120.837 119.800 0.061 0.000 3.041 92 Q HA 0.090 4.434 4.340 0.007 0.000 0.198 92 Q C -2.007 174.031 176.000 0.063 0.000 0.905 92 Q CA -0.131 55.708 55.803 0.059 0.000 1.255 92 Q CB 0.698 29.474 28.738 0.064 0.000 1.668 92 Q HN 0.148 nan 8.270 nan 0.000 0.609 93 D N 2.066 122.497 120.400 0.051 0.000 2.304 93 D HA 0.551 5.196 4.640 0.007 0.000 0.247 93 D C 0.629 176.961 176.300 0.052 0.000 1.089 93 D CA 0.660 54.690 54.000 0.050 0.000 0.910 93 D CB 1.363 42.185 40.800 0.037 0.000 1.199 93 D HN 0.588 nan 8.370 nan 0.000 0.426 94 G N 0.638 109.472 108.800 0.057 0.000 2.829 94 G HA2 0.383 4.347 3.960 0.007 0.000 0.173 94 G HA3 0.383 4.347 3.960 0.007 0.000 0.173 94 G C -1.636 173.291 174.900 0.045 0.000 1.476 94 G CA -0.361 44.772 45.100 0.056 0.000 1.072 94 G HN 0.475 nan 8.290 nan 0.000 0.577 95 P HA 0.321 nan 4.420 nan 0.000 0.300 95 P C -0.546 176.775 177.300 0.035 0.000 1.349 95 P CA -0.219 62.903 63.100 0.037 0.000 1.054 95 P CB 0.491 32.214 31.700 0.038 0.000 1.548 96 C N 1.057 120.380 119.300 0.039 0.000 2.341 96 C HA 0.651 5.115 4.460 0.007 0.000 0.338 96 C C 1.032 176.039 174.990 0.029 0.000 1.257 96 C CA -0.157 58.882 59.018 0.034 0.000 1.883 96 C CB 1.081 28.845 27.740 0.040 0.000 2.334 96 C HN 0.295 nan 8.230 nan 0.000 0.524 97 T N 0.697 115.264 114.554 0.023 0.000 2.849 97 T HA 0.389 4.743 4.350 0.007 0.000 0.276 97 T C -1.987 172.723 174.700 0.017 0.000 0.971 97 T CA -1.110 61.001 62.100 0.018 0.000 0.949 97 T CB 0.408 69.284 68.868 0.014 0.000 1.093 97 T HN 0.436 nan 8.240 nan 0.000 0.545 98 P HA 0.227 nan 4.420 nan 0.000 0.236 98 P C 1.330 178.635 177.300 0.009 0.000 1.177 98 P CA 0.222 63.329 63.100 0.011 0.000 0.773 98 P CB 0.164 31.869 31.700 0.008 0.000 0.878 99 R N -0.155 120.350 120.500 0.008 0.000 2.090 99 R HA 0.017 4.361 4.340 0.007 0.000 0.228 99 R C 1.134 177.438 176.300 0.007 0.000 1.110 99 R CA 0.924 57.028 56.100 0.006 0.000 0.973 99 R CB 0.068 30.371 30.300 0.006 0.000 0.869 99 R HN 0.214 nan 8.270 nan 0.000 0.440 100 R N -0.864 119.642 120.500 0.010 0.000 2.734 100 R HA 0.226 4.570 4.340 0.007 0.000 0.271 100 R C -1.796 174.513 176.300 0.015 0.000 1.021 100 R CA -0.724 55.382 56.100 0.010 0.000 0.893 100 R CB 0.855 31.161 30.300 0.010 0.000 1.244 100 R HN 0.054 nan 8.270 nan 0.000 0.464 101 C N 2.316 121.625 119.300 0.015 0.000 2.369 101 C HA 0.659 5.123 4.460 0.007 0.000 0.322 101 C C -0.341 174.666 174.990 0.029 0.000 1.258 101 C CA -0.626 58.405 59.018 0.022 0.000 1.487 101 C CB -0.130 27.620 27.740 0.016 0.000 2.165 101 C HN 0.725 nan 8.230 nan 0.000 0.483 102 L N 5.909 127.155 121.223 0.038 0.000 3.154 102 L HA 0.374 4.718 4.340 0.007 0.000 0.266 102 L C 1.852 178.760 176.870 0.063 0.000 1.300 102 L CA 0.648 55.515 54.840 0.045 0.000 1.028 102 L CB 0.356 42.439 42.059 0.039 0.000 1.412 102 L HN 1.038 nan 8.230 nan 0.000 0.564 103 G N -0.268 108.573 108.800 0.068 0.000 2.440 103 G HA2 -0.316 3.648 3.960 0.007 0.000 0.218 103 G HA3 -0.316 3.648 3.960 0.007 0.000 0.218 103 G C 1.729 176.709 174.900 0.134 0.000 1.154 103 G CA 1.215 46.373 45.100 0.095 0.000 0.767 103 G HN 0.521 nan 8.290 nan 0.000 0.552 104 S N 0.298 116.070 115.700 0.121 0.000 2.359 104 S HA 0.024 4.498 4.470 0.007 0.000 0.224 104 S C 1.330 176.030 174.600 0.168 0.000 1.035 104 S CA 0.179 58.467 58.200 0.145 0.000 1.018 104 S CB -0.524 62.732 63.200 0.094 0.000 0.876 104 S HN 0.086 nan 8.310 nan 0.000 0.448 105 L N 3.150 124.443 121.223 0.117 0.000 2.737 105 L HA -0.012 4.332 4.340 0.007 0.000 0.279 105 L C 1.408 178.351 176.870 0.122 0.000 1.200 105 L CA 0.483 55.382 54.840 0.099 0.000 0.952 105 L CB 0.047 42.145 42.059 0.065 0.000 1.240 105 L HN 0.266 nan 8.230 nan 0.000 0.486 106 V N 5.859 125.852 119.914 0.131 0.000 2.407 106 V HA -0.096 4.028 4.120 0.007 0.000 0.245 106 V C 1.108 177.208 176.094 0.010 0.000 1.041 106 V CA 0.932 63.327 62.300 0.159 0.000 1.040 106 V CB -0.063 31.877 31.823 0.194 0.000 0.671 106 V HN 0.499 nan 8.190 nan 0.000 0.455 107 L N 2.557 123.760 121.223 -0.033 0.000 2.287 107 L HA 0.529 4.873 4.340 0.007 0.000 0.287 107 L C -2.285 174.572 176.870 -0.022 0.000 1.022 107 L CA -0.957 53.833 54.840 -0.084 0.000 0.814 107 L CB 1.585 43.569 42.059 -0.126 0.000 1.217 107 L HN 0.306 nan 8.230 nan 0.000 0.420 122 A N 1.221 124.052 122.820 0.018 0.000 3.669 122 A HA -0.450 3.874 4.320 0.007 0.000 0.348 122 A C 1.743 179.339 177.584 0.020 0.000 1.734 122 A CA 2.800 54.848 52.037 0.020 0.000 0.908 122 A CB -1.773 17.235 19.000 0.014 0.000 1.468 122 A HN 0.461 nan 8.150 nan 0.000 0.604 123 E N -1.574 118.635 120.200 0.015 0.000 2.242 123 E HA -0.365 3.990 4.350 0.007 0.000 0.247 123 E C 2.109 178.721 176.600 0.019 0.000 1.056 123 E CA 2.846 59.255 56.400 0.015 0.000 0.999 123 E CB -0.241 29.467 29.700 0.013 0.000 0.891 123 E HN 0.758 nan 8.360 nan 0.000 0.512 124 Q N -0.575 119.237 119.800 0.021 0.000 2.435 124 Q HA 0.050 4.395 4.340 0.007 0.000 0.207 124 Q C 1.919 177.941 176.000 0.036 0.000 0.956 124 Q CA 0.511 56.330 55.803 0.026 0.000 0.917 124 Q CB 0.061 28.812 28.738 0.022 0.000 0.997 124 Q HN 0.434 nan 8.270 nan 0.000 0.497 125 L N -0.930 120.316 121.223 0.039 0.000 2.013 125 L HA -0.114 4.230 4.340 0.007 0.000 0.204 125 L C 1.809 178.721 176.870 0.070 0.000 1.081 125 L CA 0.571 55.449 54.840 0.063 0.000 0.751 125 L CB -0.484 41.616 42.059 0.068 0.000 0.901 125 L HN 0.313 nan 8.230 nan 0.000 0.440 126 L N 0.190 121.440 121.223 0.045 0.000 2.095 126 L HA -0.368 3.976 4.340 0.007 0.000 0.229 126 L C 2.850 179.732 176.870 0.019 0.000 1.097 126 L CA 2.778 57.626 54.840 0.013 0.000 0.813 126 L CB -1.412 40.650 42.059 0.005 0.000 0.907 126 L HN 0.707 nan 8.230 nan 0.000 0.445 127 S N -1.915 113.804 115.700 0.032 0.000 2.371 127 S HA -0.231 4.243 4.470 0.007 0.000 0.224 127 S C 1.886 176.526 174.600 0.067 0.000 1.029 127 S CA 1.055 59.279 58.200 0.040 0.000 0.978 127 S CB -0.466 62.755 63.200 0.034 0.000 0.833 127 S HN 0.573 nan 8.310 nan 0.000 0.466 128 Q N 1.203 121.050 119.800 0.077 0.000 2.170 128 Q HA 0.006 4.350 4.340 0.007 0.000 0.203 128 Q C 2.180 178.275 176.000 0.157 0.000 0.976 128 Q CA 1.447 57.313 55.803 0.105 0.000 0.858 128 Q CB -0.541 28.248 28.738 0.086 0.000 0.907 128 Q HN 0.759 nan 8.270 nan 0.000 0.433 129 A N 0.570 123.479 122.820 0.149 0.000 1.854 129 A HA -0.147 4.177 4.320 0.007 0.000 0.214 129 A C 1.955 179.624 177.584 0.142 0.000 1.192 129 A CA 1.189 53.333 52.037 0.178 0.000 0.611 129 A CB -0.472 18.535 19.000 0.012 0.000 0.832 129 A HN 0.311 nan 8.150 nan 0.000 0.442 130 R N -0.287 120.248 120.500 0.059 0.000 2.133 130 R HA -0.280 4.064 4.340 0.007 0.000 0.245 130 R C 2.034 178.400 176.300 0.110 0.000 1.137 130 R CA 2.125 58.258 56.100 0.055 0.000 0.947 130 R CB -0.765 29.555 30.300 0.033 0.000 0.865 130 R HN 0.748 nan 8.270 nan 0.000 0.437 131 D N -0.093 120.386 120.400 0.132 0.000 2.126 131 D HA -0.247 4.397 4.640 0.007 0.000 0.190 131 D C 1.705 178.134 176.300 0.215 0.000 1.001 131 D CA 1.715 55.809 54.000 0.156 0.000 0.841 131 D CB -0.230 40.663 40.800 0.155 0.000 0.949 131 D HN 0.236 nan 8.370 nan 0.000 0.446 132 F N 0.594 120.625 119.950 0.134 0.000 2.146 132 F HA -0.064 4.467 4.527 0.006 0.000 0.298 132 F C 2.007 177.925 175.800 0.197 0.000 1.096 132 F CA 0.977 59.090 58.000 0.190 0.000 1.275 132 F CB -0.183 38.938 39.000 0.202 0.000 1.008 132 F HN -0.002 nan 8.300 nan 0.000 0.480 133 I N 1.301 121.892 120.570 0.035 0.000 2.208 133 I HA -0.344 3.830 4.170 0.007 0.000 0.245 133 I C 2.011 178.073 176.117 -0.091 0.000 1.097 133 I CA 1.371 62.639 61.300 -0.054 0.000 1.363 133 I CB -1.684 36.336 38.000 0.033 0.000 1.051 133 I HN 0.287 nan 8.210 nan 0.000 0.413 134 N N 0.859 119.553 118.700 -0.011 0.000 2.120 134 N HA -0.210 4.534 4.740 0.007 0.000 0.188 134 N C 1.861 177.358 175.510 -0.023 0.000 1.024 134 N CA 1.122 54.192 53.050 0.032 0.000 0.852 134 N CB -0.371 38.195 38.487 0.131 0.000 1.003 134 N HN 0.526 nan 8.380 nan 0.000 0.424 135 Q N -0.371 119.416 119.800 -0.022 0.000 2.096 135 Q HA -0.187 4.157 4.340 0.007 0.000 0.204 135 Q C 1.817 177.670 176.000 -0.245 0.000 0.982 135 Q CA 1.329 57.133 55.803 0.002 0.000 0.850 135 Q CB -0.188 28.666 28.738 0.193 0.000 0.901 135 Q HN 0.416 nan 8.270 nan 0.000 0.422 136 Y N -0.289 119.601 120.300 -0.684 0.000 2.133 136 Y HA -0.260 4.293 4.550 0.006 0.000 0.287 136 Y C 1.558 177.021 175.900 -0.729 0.000 1.134 136 Y CA 1.534 58.955 58.100 -1.131 0.000 1.133 136 Y CB -0.601 37.265 38.460 -0.991 0.000 0.987 136 Y HN 0.123 nan 8.280 nan 0.000 0.502 137 Y N -0.417 119.447 120.300 -0.727 0.000 2.497 137 Y HA -0.166 4.390 4.550 0.009 0.000 0.292 137 Y C 2.611 178.243 175.900 -0.447 0.000 1.137 137 Y CA 1.338 59.026 58.100 -0.687 0.000 1.285 137 Y CB -0.129 37.877 38.460 -0.757 0.000 0.991 137 Y HN 0.099 nan 8.280 nan 0.000 0.556 138 S N -1.123 114.436 115.700 -0.235 0.000 2.425 138 S HA -0.133 4.341 4.470 0.007 0.000 0.225 138 S C 2.125 176.630 174.600 -0.159 0.000 1.024 138 S CA 1.049 59.174 58.200 -0.124 0.000 0.951 138 S CB -0.280 62.895 63.200 -0.041 0.000 0.796 138 S HN 0.569 nan 8.310 nan 0.000 0.498 139 S N 1.960 117.498 115.700 -0.271 0.000 2.489 139 S HA 0.055 4.529 4.470 0.007 0.000 0.228 139 S C 1.343 175.796 174.600 -0.246 0.000 0.995 139 S CA 0.313 58.414 58.200 -0.165 0.000 0.934 139 S CB -0.674 62.502 63.200 -0.040 0.000 0.771 139 S HN 0.678 nan 8.310 nan 0.000 0.522 140 I N -2.948 117.363 120.570 -0.432 0.000 3.927 140 I HA 0.452 4.626 4.170 0.007 0.000 0.332 140 I C 0.191 176.163 176.117 -0.243 0.000 1.485 140 I CA -0.662 60.418 61.300 -0.367 0.000 1.131 140 I CB 0.020 37.684 38.000 -0.560 0.000 1.092 140 I HN -0.096 nan 8.210 nan 0.000 0.410 141 K N 0.610 120.904 120.400 -0.176 0.000 3.426 141 K HA -0.181 4.143 4.320 0.007 0.000 0.315 141 K C 0.231 176.804 176.600 -0.045 0.000 1.293 141 K CA 0.756 56.992 56.287 -0.086 0.000 0.955 141 K CB -1.550 30.911 32.500 -0.065 0.000 1.238 141 K HN 0.511 nan 8.250 nan 0.000 0.441 142 R N 1.429 121.903 120.500 -0.044 0.000 3.081 142 R HA 0.135 4.479 4.340 0.007 0.000 0.280 142 R C -0.147 176.260 176.300 0.179 0.000 1.372 142 R CA 0.020 56.157 56.100 0.062 0.000 1.242 142 R CB 0.097 30.454 30.300 0.095 0.000 1.316 142 R HN 0.076 nan 8.270 nan 0.000 0.585 143 S N -0.103 115.680 115.700 0.138 0.000 2.510 143 S HA 0.305 4.779 4.470 0.007 0.000 0.279 143 S C 1.326 175.987 174.600 0.100 0.000 1.284 143 S CA 0.597 58.927 58.200 0.217 0.000 1.059 143 S CB 1.174 64.445 63.200 0.119 0.000 0.901 143 S HN 0.699 nan 8.310 nan 0.000 0.491 144 G N 2.525 111.309 108.800 -0.026 0.000 2.199 144 G HA2 -0.299 3.665 3.960 0.007 0.000 0.254 144 G HA3 -0.299 3.665 3.960 0.007 0.000 0.254 144 G C 0.318 175.125 174.900 -0.155 0.000 0.982 144 G CA 0.202 45.160 45.100 -0.238 0.000 0.632 144 G HN 1.090 nan 8.290 nan 0.000 0.529 145 S N 0.088 115.774 115.700 -0.023 0.000 2.645 145 S HA 0.513 4.987 4.470 0.007 0.000 0.266 145 S C 1.573 176.170 174.600 -0.004 0.000 1.258 145 S CA 0.600 58.805 58.200 0.008 0.000 0.990 145 S CB 1.572 64.810 63.200 0.065 0.000 0.967 145 S HN 0.802 nan 8.310 nan 0.000 0.556 146 Q N 1.242 121.043 119.800 0.001 0.000 2.123 146 Q HA -0.084 4.260 4.340 0.007 0.000 0.199 146 Q C 2.076 178.085 176.000 0.015 0.000 0.966 146 Q CA 1.843 57.642 55.803 -0.008 0.000 0.845 146 Q CB -1.371 27.362 28.738 -0.007 0.000 0.907 146 Q HN 0.888 nan 8.270 nan 0.000 0.439 147 A N 1.665 124.526 122.820 0.068 0.000 1.915 147 A HA -0.326 3.998 4.320 0.007 0.000 0.220 147 A C 2.068 179.671 177.584 0.030 0.000 1.198 147 A CA 2.118 54.237 52.037 0.136 0.000 0.647 147 A CB -1.450 17.706 19.000 0.261 0.000 0.825 147 A HN 0.775 nan 8.150 nan 0.000 0.456 148 H N -0.352 118.527 119.070 -0.319 0.000 2.253 148 H HA -0.127 4.434 4.556 0.008 0.000 0.296 148 H C 1.943 176.997 175.328 -0.456 0.000 1.067 148 H CA 1.470 57.001 56.048 -0.862 0.000 1.245 148 H CB -0.015 29.382 29.762 -0.609 0.000 1.364 148 H HN 0.547 nan 8.280 nan 0.000 0.494 149 E N 0.267 120.403 120.200 -0.106 0.000 2.401 149 E HA -0.167 4.187 4.350 0.007 0.000 0.199 149 E C 1.704 178.268 176.600 -0.061 0.000 1.023 149 E CA 0.884 57.220 56.400 -0.106 0.000 0.859 149 E CB -0.001 29.626 29.700 -0.122 0.000 0.780 149 E HN 0.699 nan 8.360 nan 0.000 0.523 150 E N 0.409 120.581 120.200 -0.046 0.000 2.140 150 E HA -0.060 4.294 4.350 0.007 0.000 0.191 150 E C 2.062 178.662 176.600 0.000 0.000 0.973 150 E CA 0.196 56.589 56.400 -0.012 0.000 0.829 150 E CB 0.135 29.843 29.700 0.013 0.000 0.781 150 E HN -0.084 nan 8.360 nan 0.000 0.466 151 R N 1.209 121.704 120.500 -0.009 0.000 2.090 151 R HA -0.021 4.323 4.340 0.007 0.000 0.228 151 R C 1.922 178.210 176.300 -0.019 0.000 1.110 151 R CA 1.138 57.252 56.100 0.024 0.000 0.973 151 R CB -0.608 29.748 30.300 0.094 0.000 0.869 151 R HN 0.152 nan 8.270 nan 0.000 0.440 152 L N 0.153 121.346 121.223 -0.049 0.000 2.127 152 L HA -0.174 4.171 4.340 0.007 0.000 0.211 152 L C 2.191 179.031 176.870 -0.050 0.000 1.089 152 L CA 1.576 56.388 54.840 -0.047 0.000 0.757 152 L CB -0.275 41.767 42.059 -0.029 0.000 0.899 152 L HN 0.352 nan 8.230 nan 0.000 0.434 153 Q N -1.076 118.703 119.800 -0.035 0.000 2.408 153 Q HA -0.118 4.226 4.340 0.007 0.000 0.205 153 Q C 1.766 177.758 176.000 -0.014 0.000 0.919 153 Q CA 0.196 55.983 55.803 -0.027 0.000 0.932 153 Q CB 0.391 29.117 28.738 -0.021 0.000 1.058 153 Q HN 0.447 nan 8.270 nan 0.000 0.517 154 E N 0.095 120.293 120.200 -0.005 0.000 2.208 154 E HA -0.113 4.241 4.350 0.007 0.000 0.193 154 E C 1.540 178.142 176.600 0.004 0.000 0.988 154 E CA 0.676 57.087 56.400 0.019 0.000 0.828 154 E CB 0.441 30.169 29.700 0.047 0.000 0.763 154 E HN 0.100 nan 8.360 nan 0.000 0.478 155 V N 0.390 120.268 119.914 -0.059 0.000 2.426 155 V HA -0.105 4.019 4.120 0.007 0.000 0.242 155 V C 1.923 177.946 176.094 -0.119 0.000 1.036 155 V CA 1.393 63.594 62.300 -0.164 0.000 1.044 155 V CB -0.322 31.265 31.823 -0.393 0.000 0.688 155 V HN 0.160 nan 8.190 nan 0.000 0.462 156 E N 0.714 120.862 120.200 -0.086 0.000 2.065 156 E HA -0.271 4.083 4.350 0.007 0.000 0.201 156 E C 2.272 178.860 176.600 -0.019 0.000 1.016 156 E CA 1.843 58.214 56.400 -0.049 0.000 0.818 156 E CB -0.461 29.216 29.700 -0.038 0.000 0.749 156 E HN 0.570 nan 8.360 nan 0.000 0.453 157 A N 1.250 124.066 122.820 -0.007 0.000 1.852 157 A HA -0.335 3.990 4.320 0.007 0.000 0.217 157 A C 2.059 179.658 177.584 0.025 0.000 1.215 157 A CA 2.011 54.056 52.037 0.013 0.000 0.641 157 A CB -0.798 18.216 19.000 0.022 0.000 0.838 157 A HN 0.230 nan 8.150 nan 0.000 0.450 158 E N -0.711 119.511 120.200 0.037 0.000 2.065 158 E HA -0.190 4.165 4.350 0.007 0.000 0.201 158 E C 2.164 178.798 176.600 0.056 0.000 1.016 158 E CA 1.787 58.227 56.400 0.066 0.000 0.818 158 E CB -0.441 29.324 29.700 0.108 0.000 0.749 158 E HN 0.396 nan 8.360 nan 0.000 0.453 159 V N 1.250 121.188 119.914 0.040 0.000 2.307 159 V HA -0.267 3.857 4.120 0.007 0.000 0.245 159 V C 2.369 178.482 176.094 0.032 0.000 1.045 159 V CA 1.762 64.092 62.300 0.050 0.000 1.024 159 V CB -0.813 31.030 31.823 0.034 0.000 0.651 159 V HN 0.306 nan 8.190 nan 0.000 0.449 160 A N 0.998 123.829 122.820 0.018 0.000 1.849 160 A HA -0.254 4.070 4.320 0.007 0.000 0.217 160 A C 2.497 180.094 177.584 0.021 0.000 1.202 160 A CA 2.892 54.938 52.037 0.016 0.000 0.629 160 A CB -1.037 17.969 19.000 0.010 0.000 0.834 160 A HN 0.682 nan 8.150 nan 0.000 0.447 161 S N -1.529 114.187 115.700 0.026 0.000 2.489 161 S HA -0.052 4.422 4.470 0.007 0.000 0.228 161 S C 1.555 176.175 174.600 0.034 0.000 0.995 161 S CA 1.671 59.888 58.200 0.029 0.000 0.934 161 S CB -0.497 62.721 63.200 0.030 0.000 0.771 161 S HN 0.901 nan 8.310 nan 0.000 0.522 162 T N -3.741 110.835 114.554 0.038 0.000 2.989 162 T HA 0.528 4.882 4.350 0.007 0.000 0.250 162 T C 1.483 176.199 174.700 0.028 0.000 0.981 162 T CA 0.802 62.925 62.100 0.038 0.000 0.980 162 T CB 0.133 69.032 68.868 0.052 0.000 1.133 162 T HN 1.179 nan 8.240 nan 0.000 0.489 163 G N 0.407 109.224 108.800 0.029 0.000 2.134 163 G HA2 -0.076 3.888 3.960 0.007 0.000 0.209 163 G HA3 -0.076 3.888 3.960 0.007 0.000 0.209 163 G C 0.091 175.001 174.900 0.018 0.000 0.993 163 G CA 0.531 45.646 45.100 0.025 0.000 0.669 163 G HN 0.980 nan 8.290 nan 0.000 0.519 164 T N -1.406 113.157 114.554 0.015 0.000 2.587 164 T HA 0.824 5.178 4.350 0.007 0.000 0.282 164 T C -1.064 173.688 174.700 0.087 0.000 1.018 164 T CA 0.609 62.697 62.100 -0.021 0.000 1.120 164 T CB 1.341 70.110 68.868 -0.165 0.000 1.538 164 T HN 1.627 nan 8.240 nan 0.000 0.480 165 Y N -1.172 118.953 120.300 -0.292 0.000 2.818 165 Y HA 0.702 5.256 4.550 0.006 0.000 0.341 165 Y C -1.315 174.283 175.900 -0.504 0.000 1.283 165 Y CA -1.315 56.566 58.100 -0.364 0.000 1.075 165 Y CB 0.494 38.891 38.460 -0.106 0.000 1.370 165 Y HN 0.735 nan 8.280 nan 0.000 0.448 166 H N 0.973 120.107 119.070 0.107 0.000 2.797 166 H HA 0.589 5.150 4.556 0.007 0.000 0.372 166 H C -1.246 174.159 175.328 0.128 0.000 1.168 166 H CA -1.026 55.032 56.048 0.016 0.000 1.163 166 H CB 2.719 32.514 29.762 0.057 0.000 1.778 166 H HN 0.571 nan 8.280 nan 0.000 0.551 167 L N 2.202 123.549 121.223 0.207 0.000 2.257 167 L HA 0.294 4.638 4.340 0.007 0.000 0.290 167 L C 0.796 177.746 176.870 0.134 0.000 1.044 167 L CA -0.523 54.431 54.840 0.190 0.000 0.810 167 L CB 0.801 42.938 42.059 0.132 0.000 1.193 167 L HN 0.342 nan 8.230 nan 0.000 0.425 168 R N 2.855 123.429 120.500 0.124 0.000 2.504 168 R HA -0.105 4.239 4.340 0.007 0.000 0.291 168 R C 1.374 177.684 176.300 0.017 0.000 0.974 168 R CA 0.177 56.316 56.100 0.065 0.000 1.077 168 R CB 0.562 30.896 30.300 0.057 0.000 0.926 168 R HN 0.682 nan 8.270 nan 0.000 0.407 169 E N 2.541 122.746 120.200 0.007 0.000 2.110 169 E HA -0.379 3.975 4.350 0.007 0.000 0.225 169 E C 1.490 178.074 176.600 -0.028 0.000 1.063 169 E CA 2.780 59.168 56.400 -0.021 0.000 0.906 169 E CB -0.152 29.534 29.700 -0.024 0.000 0.795 169 E HN 0.713 nan 8.360 nan 0.000 0.479 170 S N 0.226 115.917 115.700 -0.015 0.000 2.428 170 S HA -0.253 4.221 4.470 0.007 0.000 0.240 170 S C 1.742 176.326 174.600 -0.026 0.000 1.036 170 S CA 1.887 60.092 58.200 0.009 0.000 1.009 170 S CB -0.434 62.797 63.200 0.051 0.000 0.803 170 S HN 0.432 nan 8.310 nan 0.000 0.486 171 E N 0.818 120.902 120.200 -0.192 0.000 2.028 171 E HA 0.003 4.357 4.350 0.007 0.000 0.190 171 E C 2.113 178.789 176.600 0.128 0.000 0.984 171 E CA 1.070 57.263 56.400 -0.344 0.000 0.800 171 E CB -0.414 29.080 29.700 -0.343 0.000 0.758 171 E HN 0.509 nan 8.360 nan 0.000 0.448 172 L N 1.267 122.522 121.223 0.054 0.000 2.051 172 L HA -0.251 4.093 4.340 0.007 0.000 0.214 172 L C 2.152 179.007 176.870 -0.025 0.000 1.076 172 L CA 1.605 56.428 54.840 -0.027 0.000 0.758 172 L CB -0.398 41.580 42.059 -0.134 0.000 0.890 172 L HN -0.025 nan 8.230 nan 0.000 0.433 173 V N -0.235 119.680 119.914 0.002 0.000 2.233 173 V HA -0.337 3.787 4.120 0.007 0.000 0.247 173 V C 2.318 178.487 176.094 0.125 0.000 1.050 173 V CA 2.286 64.597 62.300 0.017 0.000 1.010 173 V CB -1.286 30.547 31.823 0.017 0.000 0.637 173 V HN 0.652 nan 8.190 nan 0.000 0.444 174 F N 2.490 122.491 119.950 0.085 0.000 2.087 174 F HA -0.172 4.358 4.527 0.005 0.000 0.299 174 F C 2.061 178.003 175.800 0.237 0.000 1.100 174 F CA 2.174 60.285 58.000 0.185 0.000 1.226 174 F CB -0.806 38.355 39.000 0.268 0.000 0.983 174 F HN 0.127 nan 8.300 nan 0.000 0.479 175 G N -0.717 108.149 108.800 0.109 0.000 2.494 175 G HA2 0.037 4.001 3.960 0.007 0.000 0.216 175 G HA3 0.037 4.001 3.960 0.007 0.000 0.216 175 G C 1.728 176.560 174.900 -0.114 0.000 1.140 175 G CA 0.427 45.543 45.100 0.027 0.000 0.801 175 G HN 0.654 nan 8.290 nan 0.000 0.536 176 A N 1.078 123.839 122.820 -0.099 0.000 1.933 176 A HA 0.001 4.325 4.320 0.007 0.000 0.218 176 A C 2.255 179.851 177.584 0.021 0.000 1.175 176 A CA 1.867 53.843 52.037 -0.102 0.000 0.628 176 A CB -0.273 18.661 19.000 -0.110 0.000 0.814 176 A HN 0.368 nan 8.150 nan 0.000 0.444 177 K N -1.201 119.231 120.400 0.054 0.000 1.965 177 K HA -0.184 4.140 4.320 0.007 0.000 0.214 177 K C 2.262 178.951 176.600 0.148 0.000 1.046 177 K CA 1.461 57.892 56.287 0.240 0.000 0.944 177 K CB -0.323 32.362 32.500 0.308 0.000 0.726 177 K HN 0.262 nan 8.250 nan 0.000 0.441 178 Q N 0.387 120.098 119.800 -0.149 0.000 2.231 178 Q HA -0.271 4.073 4.340 0.007 0.000 0.217 178 Q C 1.888 177.803 176.000 -0.141 0.000 1.013 178 Q CA 2.328 57.959 55.803 -0.286 0.000 0.917 178 Q CB -0.657 27.812 28.738 -0.448 0.000 0.968 178 Q HN 0.448 nan 8.270 nan 0.000 0.414 179 A N -1.079 121.691 122.820 -0.083 0.000 1.877 179 A HA -0.192 4.133 4.320 0.007 0.000 0.216 179 A C 1.840 179.566 177.584 0.236 0.000 1.186 179 A CA 1.502 53.505 52.037 -0.056 0.000 0.620 179 A CB -1.168 17.590 19.000 -0.402 0.000 0.822 179 A HN 0.632 nan 8.150 nan 0.000 0.443 180 W N 0.999 122.369 121.300 0.116 0.000 2.333 180 W HA -0.174 4.489 4.660 0.005 0.000 0.316 180 W C 2.398 178.884 176.519 -0.054 0.000 1.215 180 W CA 1.730 59.089 57.345 0.023 0.000 1.278 180 W CB -0.800 28.657 29.460 -0.006 0.000 1.154 180 W HN 0.381 nan 8.180 nan 0.000 0.486 181 R N 0.241 120.734 120.500 -0.012 0.000 2.139 181 R HA -0.215 4.129 4.340 0.007 0.000 0.243 181 R C 1.614 177.758 176.300 -0.261 0.000 1.145 181 R CA 1.917 57.767 56.100 -0.416 0.000 0.976 181 R CB -0.510 29.204 30.300 -0.975 0.000 0.866 181 R HN 0.107 nan 8.270 nan 0.000 0.449 182 N N -0.081 118.544 118.700 -0.126 0.000 2.424 182 N HA 0.048 4.792 4.740 0.007 0.000 0.178 182 N C -0.448 175.038 175.510 -0.040 0.000 1.060 182 N CA 0.703 53.701 53.050 -0.087 0.000 0.901 182 N CB 0.516 38.965 38.487 -0.064 0.000 0.979 182 N HN 0.174 nan 8.380 nan 0.000 0.451 183 A N 2.339 125.178 122.820 0.031 0.000 2.457 183 A HA 0.224 4.548 4.320 0.007 0.000 0.298 183 A C -1.310 176.255 177.584 -0.033 0.000 1.288 183 A CA -1.009 51.038 52.037 0.017 0.000 0.956 183 A CB 0.266 19.295 19.000 0.048 0.000 1.135 183 A HN 0.032 nan 8.150 nan 0.000 0.535 184 P HA -0.064 nan 4.420 nan 0.000 0.239 184 P C 0.661 177.920 177.300 -0.069 0.000 1.184 184 P CA 0.732 63.783 63.100 -0.081 0.000 0.760 184 P CB 0.159 31.770 31.700 -0.147 0.000 0.884 185 R N -1.284 119.147 120.500 -0.115 0.000 2.427 185 R HA 0.190 4.535 4.340 0.007 0.000 0.262 185 R C -0.034 176.273 176.300 0.011 0.000 0.943 185 R CA -0.121 55.903 56.100 -0.128 0.000 1.081 185 R CB -0.024 30.011 30.300 -0.442 0.000 1.166 185 R HN 0.121 nan 8.270 nan 0.000 0.534 186 C N 0.720 120.035 119.300 0.024 0.000 2.386 186 C HA 0.172 4.636 4.460 0.007 0.000 0.318 186 C C 1.916 176.953 174.990 0.079 0.000 1.128 186 C CA -0.880 58.181 59.018 0.073 0.000 1.438 186 C CB 0.324 28.141 27.740 0.128 0.000 1.987 186 C HN 0.394 nan 8.230 nan 0.000 0.426 187 V N 5.799 125.700 119.914 -0.020 0.000 2.982 187 V HA 0.060 4.185 4.120 0.007 0.000 0.265 187 V C 1.819 178.032 176.094 0.197 0.000 1.122 187 V CA 2.793 65.062 62.300 -0.052 0.000 1.143 187 V CB -0.612 31.107 31.823 -0.173 0.000 0.726 187 V HN 1.029 nan 8.190 nan 0.000 0.507 188 G N -0.103 108.785 108.800 0.147 0.000 2.776 188 G HA2 -0.100 3.865 3.960 0.007 0.000 0.209 188 G HA3 -0.100 3.865 3.960 0.007 0.000 0.209 188 G C 1.504 176.359 174.900 -0.075 0.000 1.145 188 G CA 0.262 45.441 45.100 0.131 0.000 0.791 188 G HN 0.574 nan 8.290 nan 0.000 0.530 189 R N -0.433 119.905 120.500 -0.271 0.000 2.280 189 R HA 0.159 4.503 4.340 0.007 0.000 0.207 189 R C 2.180 177.991 176.300 -0.815 0.000 1.043 189 R CA 0.118 55.712 56.100 -0.844 0.000 1.006 189 R CB -0.261 29.491 30.300 -0.913 0.000 0.885 189 R HN 0.429 nan 8.270 nan 0.000 0.467 190 I N 1.422 121.695 120.570 -0.495 0.000 2.185 190 I HA -0.366 3.808 4.170 0.007 0.000 0.246 190 I C 1.624 177.622 176.117 -0.198 0.000 1.088 190 I CA 1.620 62.801 61.300 -0.199 0.000 1.347 190 I CB 0.096 38.085 38.000 -0.018 0.000 1.041 190 I HN 0.220 nan 8.210 nan 0.000 0.415 191 Q N 0.694 120.291 119.800 -0.338 0.000 2.488 191 Q HA -0.177 4.167 4.340 0.007 0.000 0.211 191 Q C 1.707 177.314 176.000 -0.656 0.000 0.967 191 Q CA 1.067 56.671 55.803 -0.332 0.000 0.926 191 Q CB -0.446 28.243 28.738 -0.082 0.000 0.992 191 Q HN 0.828 nan 8.270 nan 0.000 0.506 192 W N 0.692 121.316 121.300 -1.128 0.000 2.277 192 W HA -0.226 4.440 4.660 0.011 0.000 0.327 192 W C 1.408 177.765 176.519 -0.271 0.000 1.284 192 W CA 1.450 58.139 57.345 -1.093 0.000 1.277 192 W CB -1.637 27.336 29.460 -0.813 0.000 1.141 192 W HN 0.132 nan 8.180 nan 0.000 0.482 193 G N 1.368 109.325 108.800 -1.405 0.000 2.708 193 G HA2 -0.160 3.805 3.960 0.007 0.000 0.210 193 G HA3 -0.160 3.805 3.960 0.007 0.000 0.210 193 G C 0.883 175.516 174.900 -0.445 0.000 1.141 193 G CA 0.049 44.461 45.100 -1.147 0.000 0.788 193 G HN 0.113 nan 8.290 nan 0.000 0.531 194 K N 0.301 120.567 120.400 -0.223 0.000 2.423 194 K HA 0.418 4.742 4.320 0.007 0.000 0.234 194 K C -1.631 175.047 176.600 0.131 0.000 1.051 194 K CA -0.593 55.674 56.287 -0.034 0.000 1.021 194 K CB 1.002 33.511 32.500 0.016 0.000 1.474 194 K HN 0.163 nan 8.250 nan 0.000 0.474 195 L N 2.241 123.504 121.223 0.067 0.000 2.543 195 L HA 0.293 4.637 4.340 0.007 0.000 0.265 195 L C -1.286 175.539 176.870 -0.075 0.000 0.945 195 L CA -0.443 54.439 54.840 0.070 0.000 0.869 195 L CB 2.069 44.227 42.059 0.166 0.000 1.294 195 L HN 0.288 nan 8.230 nan 0.000 0.405 196 Q N 3.096 122.798 119.800 -0.163 0.000 2.337 196 Q HA 0.546 4.890 4.340 0.007 0.000 0.255 196 Q C -1.432 174.197 176.000 -0.617 0.000 0.997 196 Q CA -0.072 55.458 55.803 -0.454 0.000 0.925 196 Q CB 1.048 29.383 28.738 -0.671 0.000 1.212 196 Q HN 0.587 nan 8.270 nan 0.000 0.436 197 V N 6.300 125.899 119.914 -0.525 0.000 2.432 197 V HA 0.383 4.507 4.120 0.007 0.000 0.275 197 V C -0.554 175.167 176.094 -0.622 0.000 1.043 197 V CA -0.337 61.700 62.300 -0.437 0.000 0.925 197 V CB 0.268 31.942 31.823 -0.249 0.000 0.985 197 V HN 0.629 nan 8.190 nan 0.000 0.466 198 F N 2.545 122.316 119.950 -0.298 0.000 2.436 198 F HA 0.425 4.953 4.527 0.002 0.000 0.340 198 F C 0.387 175.958 175.800 -0.382 0.000 1.113 198 F CA -0.908 56.885 58.000 -0.347 0.000 1.022 198 F CB 1.150 39.907 39.000 -0.405 0.000 1.128 198 F HN 0.383 nan 8.300 nan 0.000 0.466 199 D N 2.053 122.347 120.400 -0.176 0.000 2.264 199 D HA 0.490 5.134 4.640 0.007 0.000 0.250 199 D C -0.190 175.859 176.300 -0.418 0.000 1.113 199 D CA 0.049 53.895 54.000 -0.257 0.000 0.871 199 D CB 1.590 42.292 40.800 -0.163 0.000 1.167 199 D HN 0.657 nan 8.370 nan 0.000 0.447 200 A N 4.447 126.942 122.820 -0.540 0.000 2.610 200 A HA 0.171 4.496 4.320 0.007 0.000 0.290 200 A C 1.420 178.853 177.584 -0.252 0.000 1.001 200 A CA -0.375 51.230 52.037 -0.719 0.000 1.004 200 A CB 0.112 18.335 19.000 -1.296 0.000 1.220 200 A HN 0.568 nan 8.150 nan 0.000 0.507 201 R N 0.479 120.887 120.500 -0.154 0.000 2.276 201 R HA -0.071 4.274 4.340 0.007 0.000 0.203 201 R C 0.743 177.057 176.300 0.023 0.000 1.017 201 R CA 1.292 57.363 56.100 -0.048 0.000 1.010 201 R CB 0.061 30.353 30.300 -0.013 0.000 0.900 201 R HN 0.682 nan 8.270 nan 0.000 0.469 202 D N -0.792 119.652 120.400 0.073 0.000 2.355 202 D HA -0.075 4.570 4.640 0.007 0.000 0.218 202 D C 0.387 176.788 176.300 0.167 0.000 1.004 202 D CA -0.088 53.980 54.000 0.113 0.000 0.880 202 D CB -0.442 40.427 40.800 0.115 0.000 0.911 202 D HN -0.038 nan 8.370 nan 0.000 0.528 203 C N 1.698 121.136 119.300 0.229 0.000 2.596 203 C HA 0.382 4.846 4.460 0.007 0.000 0.414 203 C C 0.755 175.931 174.990 0.309 0.000 1.396 203 C CA 0.313 59.510 59.018 0.298 0.000 1.698 203 C CB -0.969 27.052 27.740 0.468 0.000 2.572 203 C HN 0.459 nan 8.230 nan 0.000 0.604 204 S N 3.169 119.034 115.700 0.275 0.000 2.407 204 S HA 0.573 5.047 4.470 0.007 0.000 0.166 204 S C -0.576 174.127 174.600 0.171 0.000 1.445 204 S CA 0.162 58.519 58.200 0.261 0.000 1.260 204 S CB 0.022 63.320 63.200 0.165 0.000 1.401 204 S HN 1.846 nan 8.310 nan 0.000 0.379 205 S N 0.066 115.880 115.700 0.189 0.000 2.732 205 S HA 0.543 5.017 4.470 0.007 0.000 0.276 205 S C 0.571 175.219 174.600 0.080 0.000 0.917 205 S CA -0.390 57.863 58.200 0.089 0.000 0.985 205 S CB 0.047 63.283 63.200 0.061 0.000 1.244 205 S HN 1.362 nan 8.310 nan 0.000 0.458 206 A N 0.593 123.447 122.820 0.057 0.000 1.968 206 A HA 0.069 4.393 4.320 0.007 0.000 0.217 206 A C 2.060 179.551 177.584 -0.154 0.000 1.169 206 A CA 2.090 54.169 52.037 0.070 0.000 0.638 206 A CB -0.965 18.193 19.000 0.264 0.000 0.812 206 A HN 0.983 nan 8.150 nan 0.000 0.446 207 Q N 0.301 120.058 119.800 -0.071 0.000 1.994 207 Q HA -0.131 4.213 4.340 0.007 0.000 0.198 207 Q C 1.938 177.845 176.000 -0.155 0.000 0.976 207 Q CA 2.057 57.737 55.803 -0.205 0.000 0.828 207 Q CB -0.479 28.256 28.738 -0.004 0.000 0.894 207 Q HN 0.643 nan 8.270 nan 0.000 0.432 208 E N -0.212 119.942 120.200 -0.076 0.000 2.065 208 E HA -0.273 4.082 4.350 0.007 0.000 0.201 208 E C 2.005 178.552 176.600 -0.088 0.000 1.016 208 E CA 1.753 58.085 56.400 -0.114 0.000 0.818 208 E CB -0.264 29.397 29.700 -0.066 0.000 0.749 208 E HN 0.459 nan 8.360 nan 0.000 0.453 209 M N -0.352 119.243 119.600 -0.008 0.000 2.147 209 M HA -0.273 4.211 4.480 0.007 0.000 0.253 209 M C 2.296 178.606 176.300 0.016 0.000 1.075 209 M CA 1.912 57.209 55.300 -0.005 0.000 1.085 209 M CB -0.607 31.896 32.600 -0.161 0.000 1.305 209 M HN 0.184 nan 8.290 nan 0.000 0.409 210 F N 1.205 120.957 119.950 -0.330 0.000 2.075 210 F HA -0.237 4.296 4.527 0.009 0.000 0.297 210 F C 2.610 178.326 175.800 -0.140 0.000 1.113 210 F CA 2.327 60.122 58.000 -0.341 0.000 1.218 210 F CB -0.896 37.662 39.000 -0.736 0.000 0.984 210 F HN 0.287 nan 8.300 nan 0.000 0.472 211 T N -1.909 112.477 114.554 -0.279 0.000 2.788 211 T HA -0.259 4.096 4.350 0.007 0.000 0.268 211 T C 1.900 176.489 174.700 -0.186 0.000 1.044 211 T CA 1.454 63.362 62.100 -0.320 0.000 1.139 211 T CB -1.223 67.533 68.868 -0.187 0.000 0.867 211 T HN 0.306 nan 8.240 nan 0.000 0.454 212 Y N 1.591 121.826 120.300 -0.108 0.000 2.114 212 Y HA -0.003 4.550 4.550 0.005 0.000 0.282 212 Y C 2.352 178.196 175.900 -0.094 0.000 1.165 212 Y CA 0.051 58.118 58.100 -0.056 0.000 1.148 212 Y CB -0.808 37.742 38.460 0.151 0.000 0.972 212 Y HN 0.255 nan 8.280 nan 0.000 0.504 213 I N -1.657 118.967 120.570 0.089 0.000 2.315 213 I HA -0.334 3.841 4.170 0.007 0.000 0.248 213 I C 2.302 178.342 176.117 -0.129 0.000 1.117 213 I CA 0.906 62.202 61.300 -0.008 0.000 1.404 213 I CB -0.304 37.679 38.000 -0.028 0.000 1.071 213 I HN 0.213 nan 8.210 nan 0.000 0.419 214 C N 0.366 119.479 119.300 -0.312 0.000 2.457 214 C HA -0.083 4.381 4.460 0.007 0.000 0.278 214 C C 2.575 177.477 174.990 -0.147 0.000 1.309 214 C CA 0.431 59.271 59.018 -0.296 0.000 1.735 214 C CB -1.363 26.086 27.740 -0.485 0.000 1.992 214 C HN 0.534 nan 8.230 nan 0.000 0.493 215 N N 0.550 119.166 118.700 -0.141 0.000 2.018 215 N HA -0.184 4.560 4.740 0.007 0.000 0.196 215 N C 1.411 176.821 175.510 -0.167 0.000 1.043 215 N CA 1.890 54.855 53.050 -0.142 0.000 0.856 215 N CB -1.015 37.382 38.487 -0.150 0.000 1.042 215 N HN 0.742 nan 8.380 nan 0.000 0.423 216 H N 0.493 119.381 119.070 -0.304 0.000 2.265 216 H HA -0.086 4.476 4.556 0.009 0.000 0.293 216 H C 2.201 177.508 175.328 -0.035 0.000 1.089 216 H CA 2.207 58.106 56.048 -0.249 0.000 1.244 216 H CB -0.248 29.427 29.762 -0.146 0.000 1.355 216 H HN 0.146 nan 8.280 nan 0.000 0.485 217 I N 0.416 121.123 120.570 0.229 0.000 2.127 217 I HA -0.299 3.875 4.170 0.007 0.000 0.241 217 I C 2.660 178.848 176.117 0.119 0.000 1.075 217 I CA 1.603 63.012 61.300 0.183 0.000 1.334 217 I CB -0.349 37.679 38.000 0.048 0.000 1.040 217 I HN 0.324 nan 8.210 nan 0.000 0.405 218 K N -0.015 120.419 120.400 0.055 0.000 2.020 218 K HA -0.292 4.032 4.320 0.007 0.000 0.212 218 K C 2.243 178.880 176.600 0.063 0.000 1.050 218 K CA 2.320 58.631 56.287 0.040 0.000 0.929 218 K CB -0.504 32.005 32.500 0.014 0.000 0.714 218 K HN 0.246 nan 8.250 nan 0.000 0.443 219 Y N 0.596 120.879 120.300 -0.028 0.000 2.081 219 Y HA -0.314 4.237 4.550 0.002 0.000 0.280 219 Y C 1.985 177.917 175.900 0.053 0.000 1.163 219 Y CA 2.044 60.152 58.100 0.012 0.000 1.135 219 Y CB -0.268 38.205 38.460 0.021 0.000 0.970 219 Y HN 0.102 nan 8.280 nan 0.000 0.498 220 A N -1.594 121.338 122.820 0.187 0.000 2.123 220 A HA 0.018 4.342 4.320 0.007 0.000 0.214 220 A C 2.035 179.683 177.584 0.107 0.000 1.152 220 A CA 1.380 53.515 52.037 0.163 0.000 0.728 220 A CB -0.788 18.360 19.000 0.247 0.000 0.814 220 A HN 0.511 nan 8.150 nan 0.000 0.464 221 T N -0.114 114.492 114.554 0.087 0.000 2.852 221 T HA -0.024 4.330 4.350 0.007 0.000 0.256 221 T C 0.946 175.654 174.700 0.013 0.000 1.038 221 T CA 0.871 63.015 62.100 0.073 0.000 1.141 221 T CB -0.325 68.585 68.868 0.070 0.000 0.869 221 T HN 0.609 nan 8.240 nan 0.000 0.439 222 N N 0.669 119.350 118.700 -0.033 0.000 2.688 222 N HA -0.256 4.488 4.740 0.007 0.000 0.258 222 N C 0.577 176.055 175.510 -0.053 0.000 1.016 222 N CA 0.991 53.992 53.050 -0.082 0.000 0.747 222 N CB -1.050 37.344 38.487 -0.155 0.000 0.895 222 N HN 0.375 nan 8.380 nan 0.000 0.543 223 R N -1.366 119.115 120.500 -0.032 0.000 3.961 223 R HA -0.209 4.135 4.340 0.007 0.000 0.457 223 R C 1.210 177.490 176.300 -0.033 0.000 0.854 223 R CA 2.891 58.972 56.100 -0.030 0.000 1.601 223 R CB -1.534 28.743 30.300 -0.038 0.000 2.259 223 R HN 1.368 nan 8.270 nan 0.000 0.486 224 G N -1.856 106.926 108.800 -0.031 0.000 2.559 224 G HA2 -0.175 3.789 3.960 0.007 0.000 0.202 224 G HA3 -0.175 3.789 3.960 0.007 0.000 0.202 224 G C -0.266 174.607 174.900 -0.045 0.000 0.992 224 G CA 0.008 45.087 45.100 -0.036 0.000 0.764 224 G HN 0.288 nan 8.290 nan 0.000 0.525 225 N N 1.263 119.929 118.700 -0.056 0.000 3.170 225 N HA 0.505 5.249 4.740 0.007 0.000 0.305 225 N C 0.411 175.878 175.510 -0.071 0.000 1.499 225 N CA -0.443 52.556 53.050 -0.086 0.000 1.110 225 N CB -0.112 38.323 38.487 -0.087 0.000 1.390 225 N HN 0.164 nan 8.380 nan 0.000 0.508 226 L N 0.963 122.170 121.223 -0.025 0.000 2.529 226 L HA 0.103 4.447 4.340 0.007 0.000 0.287 226 L C 0.856 177.861 176.870 0.224 0.000 1.241 226 L CA 0.950 55.863 54.840 0.123 0.000 0.857 226 L CB 0.236 42.460 42.059 0.274 0.000 1.113 226 L HN 0.233 nan 8.230 nan 0.000 0.504 227 R N 1.095 121.737 120.500 0.237 0.000 2.502 227 R HA 0.361 4.705 4.340 0.007 0.000 0.300 227 R C -0.744 175.712 176.300 0.260 0.000 0.984 227 R CA -0.633 55.613 56.100 0.244 0.000 0.882 227 R CB 1.640 31.953 30.300 0.023 0.000 1.180 227 R HN 0.606 nan 8.270 nan 0.000 0.444 228 S N 1.850 117.687 115.700 0.229 0.000 2.546 228 S HA 0.249 4.724 4.470 0.007 0.000 0.290 228 S C -0.106 174.510 174.600 0.028 0.000 1.262 228 S CA -0.069 58.143 58.200 0.020 0.000 1.083 228 S CB 0.777 63.934 63.200 -0.071 0.000 0.859 228 S HN 0.671 nan 8.310 nan 0.000 0.495 229 A N 3.403 126.222 122.820 -0.001 0.000 2.572 229 A HA 0.849 5.173 4.320 0.007 0.000 0.295 229 A C -1.028 176.617 177.584 0.103 0.000 1.072 229 A CA -0.677 51.332 52.037 -0.046 0.000 0.691 229 A CB 1.297 20.215 19.000 -0.136 0.000 1.291 229 A HN 0.802 nan 8.150 nan 0.000 0.404 230 I N 0.718 121.323 120.570 0.059 0.000 2.644 230 I HA 0.528 4.702 4.170 0.007 0.000 0.291 230 I C -0.925 175.282 176.117 0.150 0.000 1.180 230 I CA 0.074 61.500 61.300 0.210 0.000 1.040 230 I CB 2.291 40.367 38.000 0.125 0.000 1.255 230 I HN 0.598 nan 8.210 nan 0.000 0.422 231 T N 6.391 121.050 114.554 0.175 0.000 2.794 231 T HA 0.514 4.868 4.350 0.007 0.000 0.280 231 T C -0.814 173.655 174.700 -0.384 0.000 0.987 231 T CA -0.341 61.684 62.100 -0.124 0.000 0.993 231 T CB 1.410 70.176 68.868 -0.170 0.000 0.939 231 T HN 0.271 nan 8.240 nan 0.000 0.449 232 V N 5.417 125.016 119.914 -0.526 0.000 2.304 232 V HA 0.445 4.570 4.120 0.007 0.000 0.278 232 V C -0.584 175.195 176.094 -0.526 0.000 1.018 232 V CA -0.966 61.045 62.300 -0.482 0.000 0.814 232 V CB -0.198 31.321 31.823 -0.507 0.000 1.021 232 V HN 0.738 nan 8.190 nan 0.000 0.440 233 F N 5.043 124.917 119.950 -0.127 0.000 2.389 233 F HA 0.510 5.042 4.527 0.008 0.000 0.337 233 F C -1.526 174.152 175.800 -0.203 0.000 1.112 233 F CA -2.702 55.141 58.000 -0.261 0.000 1.192 233 F CB -0.052 38.737 39.000 -0.351 0.000 1.185 233 F HN 0.284 nan 8.300 nan 0.000 0.552 234 P HA -0.165 nan 4.420 nan 0.000 0.275 234 P C -0.711 176.638 177.300 0.082 0.000 1.195 234 P CA 0.368 63.439 63.100 -0.047 0.000 0.779 234 P CB 0.323 31.904 31.700 -0.198 0.000 0.793 235 Q N 1.413 121.208 119.800 -0.007 0.000 2.185 235 Q HA 0.392 4.736 4.340 0.007 0.000 0.225 235 Q C 0.112 176.060 176.000 -0.088 0.000 0.983 235 Q CA -0.914 54.728 55.803 -0.268 0.000 0.950 235 Q CB 0.814 29.189 28.738 -0.604 0.000 1.176 235 Q HN 0.265 nan 8.270 nan 0.000 0.510 236 R N -0.502 119.909 120.500 -0.149 0.000 2.756 236 R HA 0.301 4.645 4.340 0.007 0.000 0.264 236 R C -0.657 175.611 176.300 -0.053 0.000 1.026 236 R CA 0.660 56.724 56.100 -0.060 0.000 1.121 236 R CB 0.441 30.687 30.300 -0.091 0.000 0.999 236 R HN 0.734 nan 8.270 nan 0.000 0.449 237 A N 3.343 126.160 122.820 -0.005 0.000 2.469 237 A HA 0.537 4.861 4.320 0.007 0.000 0.299 237 A C -2.389 175.193 177.584 -0.003 0.000 1.098 237 A CA -1.638 50.398 52.037 -0.001 0.000 0.737 237 A CB 1.346 20.369 19.000 0.039 0.000 1.312 237 A HN 0.503 nan 8.150 nan 0.000 0.414 238 P HA 0.184 nan 4.420 nan 0.000 0.261 238 P C 0.743 178.048 177.300 0.008 0.000 1.203 238 P CA 1.364 64.464 63.100 -0.000 0.000 0.767 238 P CB 0.034 31.735 31.700 0.003 0.000 0.785 239 G N 3.320 112.124 108.800 0.007 0.000 2.357 239 G HA2 -0.252 3.712 3.960 0.007 0.000 0.282 239 G HA3 -0.252 3.712 3.960 0.007 0.000 0.282 239 G C 0.159 175.068 174.900 0.015 0.000 0.910 239 G CA 0.029 45.135 45.100 0.010 0.000 1.267 239 G HN 0.848 nan 8.290 nan 0.000 0.476 240 R N 0.484 120.996 120.500 0.019 0.000 2.795 240 R HA 0.641 4.985 4.340 0.007 0.000 0.275 240 R C 0.757 177.069 176.300 0.020 0.000 0.981 240 R CA -0.026 56.088 56.100 0.022 0.000 0.917 240 R CB 1.079 31.400 30.300 0.035 0.000 1.202 240 R HN 0.630 nan 8.270 nan 0.000 0.469 241 G N 1.742 110.544 108.800 0.003 0.000 2.474 241 G HA2 0.003 3.967 3.960 0.007 0.000 0.233 241 G HA3 0.003 3.967 3.960 0.007 0.000 0.233 241 G C -0.582 174.316 174.900 -0.002 0.000 1.278 241 G CA -0.092 45.001 45.100 -0.011 0.000 0.861 241 G HN 0.608 nan 8.290 nan 0.000 0.567 242 D N -0.541 119.874 120.400 0.024 0.000 2.294 242 D HA 0.377 5.021 4.640 0.007 0.000 0.250 242 D C -0.445 175.901 176.300 0.077 0.000 1.058 242 D CA 0.027 54.077 54.000 0.083 0.000 0.950 242 D CB 0.973 41.825 40.800 0.087 0.000 1.158 242 D HN 0.203 nan 8.370 nan 0.000 0.453 243 F N 1.850 121.850 119.950 0.083 0.000 2.335 243 F HA 0.315 4.847 4.527 0.008 0.000 0.365 243 F C 0.407 176.263 175.800 0.093 0.000 1.122 243 F CA -0.423 57.624 58.000 0.079 0.000 1.151 243 F CB 0.421 39.480 39.000 0.099 0.000 1.282 243 F HN -0.135 nan 8.300 nan 0.000 0.513 244 R N 4.945 125.592 120.500 0.244 0.000 2.437 244 R HA 0.460 4.804 4.340 0.007 0.000 0.310 244 R C -0.602 175.871 176.300 0.289 0.000 0.955 244 R CA -0.829 55.440 56.100 0.281 0.000 0.851 244 R CB 1.910 32.401 30.300 0.318 0.000 1.161 244 R HN 0.608 nan 8.270 nan 0.000 0.446 245 I N 2.979 123.683 120.570 0.223 0.000 2.436 245 I HA 0.004 4.178 4.170 0.007 0.000 0.289 245 I C 0.746 177.072 176.117 0.348 0.000 1.083 245 I CA -0.215 61.215 61.300 0.216 0.000 1.372 245 I CB 0.591 38.662 38.000 0.120 0.000 1.408 245 I HN 0.496 nan 8.210 nan 0.000 0.516 246 W N 4.238 125.579 121.300 0.068 0.000 2.388 246 W HA -0.096 4.568 4.660 0.007 0.000 0.294 246 W C 1.084 177.695 176.519 0.153 0.000 1.212 246 W CA 0.261 57.692 57.345 0.142 0.000 1.271 246 W CB -0.757 28.760 29.460 0.095 0.000 1.126 246 W HN 0.464 nan 8.180 nan 0.000 0.535 247 N N -0.216 118.644 118.700 0.268 0.000 2.424 247 N HA 0.067 4.811 4.740 0.007 0.000 0.257 247 N C 1.133 176.710 175.510 0.112 0.000 1.250 247 N CA 0.657 53.798 53.050 0.151 0.000 0.946 247 N CB 0.297 38.813 38.487 0.049 0.000 1.175 247 N HN -0.098 nan 8.380 nan 0.000 0.477 248 S N -0.685 115.069 115.700 0.089 0.000 2.439 248 S HA 0.030 4.504 4.470 0.007 0.000 0.224 248 S C 0.407 175.013 174.600 0.011 0.000 1.029 248 S CA 0.373 58.613 58.200 0.066 0.000 0.946 248 S CB 0.020 63.282 63.200 0.102 0.000 0.797 248 S HN 0.632 nan 8.310 nan 0.000 0.504 249 Q N -0.409 119.392 119.800 0.002 0.000 2.399 249 Q HA 0.518 4.863 4.340 0.007 0.000 0.276 249 Q C 0.261 176.212 176.000 -0.082 0.000 1.098 249 Q CA -0.560 55.218 55.803 -0.042 0.000 0.827 249 Q CB 1.958 30.703 28.738 0.013 0.000 1.386 249 Q HN 0.170 nan 8.270 nan 0.000 0.443 250 L N 0.228 121.383 121.223 -0.115 0.000 2.291 250 L HA 0.056 4.400 4.340 0.007 0.000 0.214 250 L C 0.208 176.972 176.870 -0.177 0.000 1.120 250 L CA 0.633 55.398 54.840 -0.124 0.000 0.799 250 L CB 0.328 42.301 42.059 -0.142 0.000 0.925 250 L HN 0.246 nan 8.230 nan 0.000 0.446 251 V N 1.338 121.109 119.914 -0.238 0.000 2.380 251 V HA 0.401 4.525 4.120 0.007 0.000 0.286 251 V C -0.278 175.464 176.094 -0.586 0.000 1.015 251 V CA -0.669 61.327 62.300 -0.507 0.000 0.834 251 V CB 1.520 32.892 31.823 -0.752 0.000 1.009 251 V HN 0.150 nan 8.190 nan 0.000 0.428 252 R N 2.695 122.894 120.500 -0.500 0.000 2.854 252 R HA 0.606 4.951 4.340 0.007 0.000 0.271 252 R C -1.493 174.514 176.300 -0.490 0.000 0.994 252 R CA -0.818 55.060 56.100 -0.370 0.000 0.945 252 R CB 2.357 32.576 30.300 -0.136 0.000 1.194 252 R HN 0.496 nan 8.270 nan 0.000 0.476 253 Y N 0.015 120.239 120.300 -0.125 0.000 2.352 253 Y HA 0.419 4.974 4.550 0.007 0.000 0.326 253 Y C 0.922 176.755 175.900 -0.111 0.000 1.166 253 Y CA -0.452 57.605 58.100 -0.071 0.000 1.182 253 Y CB 1.185 39.690 38.460 0.075 0.000 1.216 253 Y HN 0.698 nan 8.280 nan 0.000 0.474 254 A N 1.239 124.081 122.820 0.037 0.000 2.448 254 A HA 0.508 4.832 4.320 0.007 0.000 0.239 254 A C 0.504 177.841 177.584 -0.411 0.000 1.080 254 A CA 0.436 52.351 52.037 -0.203 0.000 0.779 254 A CB -0.399 18.467 19.000 -0.224 0.000 1.026 254 A HN 0.948 nan 8.150 nan 0.000 0.499 255 G N 0.299 108.839 108.800 -0.434 0.000 2.760 255 G HA2 0.538 4.502 3.960 0.007 0.000 0.285 255 G HA3 0.538 4.502 3.960 0.007 0.000 0.285 255 G C -1.392 173.380 174.900 -0.214 0.000 1.496 255 G CA -0.252 44.635 45.100 -0.355 0.000 1.026 255 G HN 0.468 nan 8.290 nan 0.000 0.536 256 Y N 1.401 121.712 120.300 0.018 0.000 2.417 256 Y HA 0.448 5.003 4.550 0.007 0.000 0.336 256 Y C 0.844 176.747 175.900 0.006 0.000 0.961 256 Y CA -1.613 56.501 58.100 0.024 0.000 1.215 256 Y CB 1.277 39.752 38.460 0.025 0.000 1.120 256 Y HN 0.588 nan 8.280 nan 0.000 0.499 257 R N 3.071 123.666 120.500 0.158 0.000 2.401 257 R HA 0.133 4.477 4.340 0.007 0.000 0.299 257 R C -0.296 176.047 176.300 0.072 0.000 1.064 257 R CA -0.357 55.794 56.100 0.085 0.000 1.000 257 R CB 0.452 30.788 30.300 0.060 0.000 0.973 257 R HN 0.529 nan 8.270 nan 0.000 0.438 258 Q N 2.806 122.637 119.800 0.052 0.000 2.312 258 Q HA 0.010 4.354 4.340 0.007 0.000 0.236 258 Q C 0.511 176.524 176.000 0.021 0.000 0.965 258 Q CA -0.165 55.659 55.803 0.035 0.000 0.894 258 Q CB 1.087 29.842 28.738 0.029 0.000 1.225 258 Q HN 0.633 nan 8.270 nan 0.000 0.478 259 Q N 0.559 120.366 119.800 0.012 0.000 2.364 259 Q HA -0.135 4.209 4.340 0.007 0.000 0.209 259 Q C 0.659 176.663 176.000 0.007 0.000 0.977 259 Q CA 1.098 56.905 55.803 0.007 0.000 0.885 259 Q CB 0.206 28.944 28.738 0.000 0.000 0.941 259 Q HN 0.499 nan 8.270 nan 0.000 0.464 260 D N -1.425 118.981 120.400 0.010 0.000 2.087 260 D HA -0.020 4.624 4.640 0.007 0.000 0.203 260 D C 1.374 177.681 176.300 0.011 0.000 0.976 260 D CA 1.764 55.770 54.000 0.009 0.000 0.865 260 D CB -0.232 40.574 40.800 0.010 0.000 1.005 260 D HN 0.364 nan 8.370 nan 0.000 0.449 261 G N -0.545 108.263 108.800 0.014 0.000 2.935 261 G HA2 -0.127 3.837 3.960 0.007 0.000 0.213 261 G HA3 -0.127 3.837 3.960 0.007 0.000 0.213 261 G C 0.355 175.263 174.900 0.014 0.000 0.984 261 G CA 0.504 45.613 45.100 0.014 0.000 0.790 261 G HN 0.540 nan 8.290 nan 0.000 0.538 262 S N -0.218 115.490 115.700 0.014 0.000 2.596 262 S HA 0.646 5.121 4.470 0.007 0.000 0.260 262 S C 0.046 174.655 174.600 0.015 0.000 1.336 262 S CA 0.150 58.358 58.200 0.012 0.000 0.993 262 S CB 1.960 65.168 63.200 0.013 0.000 0.923 262 S HN 1.051 nan 8.310 nan 0.000 0.567 263 V N 1.282 121.198 119.914 0.003 0.000 2.483 263 V HA 0.478 4.602 4.120 0.007 0.000 0.297 263 V C 0.159 176.245 176.094 -0.014 0.000 1.027 263 V CA -0.814 61.485 62.300 -0.001 0.000 0.855 263 V CB 1.356 33.159 31.823 -0.033 0.000 0.995 263 V HN 0.926 nan 8.190 nan 0.000 0.424 264 R N 2.861 123.385 120.500 0.040 0.000 2.267 264 R HA 0.589 4.933 4.340 0.007 0.000 0.319 264 R C 0.771 177.020 176.300 -0.084 0.000 1.067 264 R CA 1.147 57.274 56.100 0.045 0.000 0.936 264 R CB 0.580 30.991 30.300 0.185 0.000 1.006 264 R HN 1.200 nan 8.270 nan 0.000 0.452 265 G N 3.213 111.909 108.800 -0.172 0.000 2.460 265 G HA2 -0.243 3.721 3.960 0.007 0.000 0.207 265 G HA3 -0.243 3.721 3.960 0.007 0.000 0.207 265 G C -1.333 173.212 174.900 -0.592 0.000 1.170 265 G CA -0.160 44.755 45.100 -0.308 0.000 1.151 265 G HN 0.598 nan 8.290 nan 0.000 0.575 266 D N 1.833 121.910 120.400 -0.539 0.000 2.412 266 D HA 0.605 5.250 4.640 0.007 0.000 0.224 266 D C -1.256 174.876 176.300 -0.279 0.000 1.093 266 D CA -2.110 51.519 54.000 -0.618 0.000 0.850 266 D CB 1.608 42.320 40.800 -0.147 0.000 1.046 266 D HN 0.017 nan 8.370 nan 0.000 0.507 267 P HA 0.040 nan 4.420 nan 0.000 0.237 267 P C 1.021 178.293 177.300 -0.046 0.000 1.178 267 P CA 0.370 63.400 63.100 -0.117 0.000 0.766 267 P CB 0.261 31.903 31.700 -0.096 0.000 0.876 268 A N 1.464 124.269 122.820 -0.025 0.000 1.903 268 A HA -0.189 4.135 4.320 0.007 0.000 0.219 268 A C 1.203 178.815 177.584 0.046 0.000 1.191 268 A CA 1.597 53.660 52.037 0.044 0.000 0.638 268 A CB -1.227 17.838 19.000 0.110 0.000 0.823 268 A HN 0.392 nan 8.150 nan 0.000 0.451 269 N N 0.010 118.725 118.700 0.026 0.000 2.904 269 N HA 0.325 5.069 4.740 0.007 0.000 0.257 269 N C 0.363 175.869 175.510 -0.007 0.000 1.363 269 N CA 0.349 53.416 53.050 0.029 0.000 0.856 269 N CB 1.374 39.884 38.487 0.038 0.000 1.166 269 N HN 0.191 nan 8.380 nan 0.000 0.499 270 V N -1.648 118.266 119.914 0.001 0.000 2.426 270 V HA -0.036 4.088 4.120 0.007 0.000 0.242 270 V C 2.239 178.337 176.094 0.006 0.000 1.036 270 V CA 0.826 63.127 62.300 0.001 0.000 1.044 270 V CB -0.424 31.405 31.823 0.011 0.000 0.688 270 V HN 0.369 nan 8.190 nan 0.000 0.462 271 E N 0.633 120.837 120.200 0.007 0.000 2.160 271 E HA -0.230 4.124 4.350 0.007 0.000 0.195 271 E C 2.029 178.552 176.600 -0.128 0.000 0.991 271 E CA 2.031 58.413 56.400 -0.030 0.000 0.810 271 E CB -0.059 29.665 29.700 0.039 0.000 0.742 271 E HN 0.769 nan 8.360 nan 0.000 0.466 272 I N -0.476 120.039 120.570 -0.090 0.000 2.494 272 I HA -0.125 4.049 4.170 0.007 0.000 0.250 272 I C 1.967 178.039 176.117 -0.076 0.000 1.112 272 I CA 1.187 62.410 61.300 -0.129 0.000 1.438 272 I CB -0.230 37.744 38.000 -0.043 0.000 1.111 272 I HN -0.124 nan 8.210 nan 0.000 0.431 273 T N 0.462 115.000 114.554 -0.027 0.000 2.699 273 T HA -0.204 4.150 4.350 0.007 0.000 0.268 273 T C 1.641 176.403 174.700 0.103 0.000 1.036 273 T CA 2.050 64.177 62.100 0.044 0.000 1.147 273 T CB -0.499 68.412 68.868 0.072 0.000 0.862 273 T HN 0.491 nan 8.240 nan 0.000 0.446 274 E N 1.055 121.287 120.200 0.052 0.000 2.005 274 E HA -0.070 4.285 4.350 0.007 0.000 0.198 274 E C 2.240 178.862 176.600 0.038 0.000 1.010 274 E CA 1.113 57.543 56.400 0.050 0.000 0.825 274 E CB -0.480 29.224 29.700 0.007 0.000 0.769 274 E HN 0.362 nan 8.360 nan 0.000 0.456 275 L N 0.607 121.800 121.223 -0.051 0.000 2.151 275 L HA -0.344 4.001 4.340 0.007 0.000 0.215 275 L C 2.675 179.573 176.870 0.047 0.000 1.084 275 L CA 0.776 55.602 54.840 -0.022 0.000 0.764 275 L CB -0.647 41.282 42.059 -0.215 0.000 0.891 275 L HN 0.404 nan 8.230 nan 0.000 0.435 276 C N -0.077 119.234 119.300 0.019 0.000 2.413 276 C HA -0.185 4.279 4.460 0.007 0.000 0.278 276 C C 2.726 177.850 174.990 0.223 0.000 1.224 276 C CA 0.936 59.988 59.018 0.056 0.000 1.732 276 C CB -0.528 27.193 27.740 -0.033 0.000 2.050 276 C HN 0.397 nan 8.230 nan 0.000 0.463 277 I N 1.117 121.855 120.570 0.280 0.000 2.099 277 I HA -0.254 3.920 4.170 0.007 0.000 0.239 277 I C 2.391 178.592 176.117 0.140 0.000 1.066 277 I CA 2.114 63.559 61.300 0.241 0.000 1.324 277 I CB -0.521 37.578 38.000 0.165 0.000 1.037 277 I HN 0.498 nan 8.210 nan 0.000 0.401 278 Q N -1.081 118.784 119.800 0.108 0.000 2.431 278 Q HA -0.077 4.267 4.340 0.007 0.000 0.210 278 Q C 0.727 176.729 176.000 0.003 0.000 0.958 278 Q CA 1.216 57.044 55.803 0.043 0.000 0.957 278 Q CB -0.587 28.164 28.738 0.022 0.000 1.007 278 Q HN 0.532 nan 8.270 nan 0.000 0.511 279 H N -0.765 118.297 119.070 -0.014 0.000 2.512 279 H HA 0.425 4.985 4.556 0.007 0.000 0.276 279 H C 0.697 175.992 175.328 -0.054 0.000 1.126 279 H CA 0.299 56.310 56.048 -0.062 0.000 1.060 279 H CB 0.999 30.691 29.762 -0.117 0.000 1.646 279 H HN 0.422 nan 8.280 nan 0.000 0.571 280 G N -0.347 108.494 108.800 0.068 0.000 2.284 280 G HA2 -0.242 3.722 3.960 0.007 0.000 0.201 280 G HA3 -0.242 3.722 3.960 0.007 0.000 0.201 280 G C -0.196 174.770 174.900 0.110 0.000 0.998 280 G CA -0.399 44.726 45.100 0.042 0.000 0.651 280 G HN 0.275 nan 8.290 nan 0.000 0.489 281 W N 4.233 125.510 121.300 -0.039 0.000 2.345 281 W HA 0.620 5.284 4.660 0.007 0.000 0.308 281 W C 0.516 177.021 176.519 -0.023 0.000 1.273 281 W CA 0.346 57.671 57.345 -0.033 0.000 1.243 281 W CB 0.551 30.002 29.460 -0.015 0.000 1.260 281 W HN 0.119 nan 8.180 nan 0.000 0.509 282 T N 9.501 123.801 114.554 -0.423 0.000 2.779 282 T HA 0.196 4.550 4.350 0.007 0.000 0.296 282 T C -1.874 172.088 174.700 -1.230 0.000 0.938 282 T CA -0.994 60.765 62.100 -0.569 0.000 1.119 282 T CB 0.706 69.362 68.868 -0.354 0.000 0.891 282 T HN 0.286 nan 8.240 nan 0.000 0.526 283 P HA 0.474 nan 4.420 nan 0.000 0.297 283 P C 0.311 177.158 177.300 -0.755 0.000 1.303 283 P CA -0.364 62.006 63.100 -1.216 0.000 0.753 283 P CB 0.852 32.235 31.700 -0.529 0.000 1.281 284 G N -1.080 107.463 108.800 -0.429 0.000 3.209 284 G HA2 0.294 4.258 3.960 0.007 0.000 0.236 284 G HA3 0.294 4.258 3.960 0.007 0.000 0.236 284 G C 0.055 174.762 174.900 -0.321 0.000 1.329 284 G CA -0.360 44.630 45.100 -0.183 0.000 1.015 284 G HN 0.488 nan 8.290 nan 0.000 0.571 285 N N -0.822 117.831 118.700 -0.078 0.000 2.143 285 N HA 0.192 4.937 4.740 0.007 0.000 0.229 285 N C 0.432 176.022 175.510 0.134 0.000 1.294 285 N CA 0.026 53.026 53.050 -0.084 0.000 0.883 285 N CB 1.583 40.027 38.487 -0.071 0.000 1.148 285 N HN 0.575 nan 8.380 nan 0.000 0.511 286 G N -0.389 108.601 108.800 0.317 0.000 2.441 286 G HA2 0.333 4.297 3.960 0.007 0.000 0.334 286 G HA3 0.333 4.297 3.960 0.007 0.000 0.334 286 G C 0.740 175.745 174.900 0.175 0.000 1.161 286 G CA -0.377 44.868 45.100 0.242 0.000 0.935 286 G HN 0.022 nan 8.290 nan 0.000 0.488 287 R N -0.389 120.094 120.500 -0.028 0.000 2.120 287 R HA -0.022 4.322 4.340 0.007 0.000 0.234 287 R C 0.253 176.181 176.300 -0.621 0.000 1.123 287 R CA 1.221 57.098 56.100 -0.371 0.000 0.975 287 R CB -0.087 29.807 30.300 -0.678 0.000 0.866 287 R HN 0.451 nan 8.270 nan 0.000 0.446 288 F N 0.502 120.437 119.950 -0.024 0.000 2.841 288 F HA 0.220 4.752 4.527 0.007 0.000 0.358 288 F C -0.581 175.319 175.800 0.167 0.000 1.261 288 F CA -1.196 56.639 58.000 -0.275 0.000 1.233 288 F CB 0.380 39.081 39.000 -0.498 0.000 1.008 288 F HN -0.285 nan 8.300 nan 0.000 0.507 289 D N 1.828 122.435 120.400 0.345 0.000 2.382 289 D HA 0.100 4.744 4.640 0.007 0.000 0.259 289 D C 0.286 176.824 176.300 0.397 0.000 1.224 289 D CA 0.333 54.578 54.000 0.409 0.000 0.894 289 D CB 1.404 42.513 40.800 0.515 0.000 1.127 289 D HN -0.079 nan 8.370 nan 0.000 0.487 290 V N 3.851 123.959 119.914 0.322 0.000 2.450 290 V HA -0.017 4.107 4.120 0.007 0.000 0.281 290 V C 1.122 177.186 176.094 -0.051 0.000 1.019 290 V CA -0.417 61.930 62.300 0.078 0.000 1.062 290 V CB -0.112 31.732 31.823 0.035 0.000 0.979 290 V HN 0.366 nan 8.190 nan 0.000 0.477 291 L N 8.552 129.652 121.223 -0.206 0.000 2.456 291 L HA 0.294 4.638 4.340 0.007 0.000 0.272 291 L C -1.570 175.073 176.870 -0.378 0.000 1.189 291 L CA -1.034 53.582 54.840 -0.374 0.000 0.846 291 L CB 1.176 43.046 42.059 -0.315 0.000 1.111 291 L HN 0.525 nan 8.230 nan 0.000 0.475 292 P HA 0.245 nan 4.420 nan 0.000 0.283 292 P C -1.205 175.921 177.300 -0.289 0.000 1.271 292 P CA -0.734 62.131 63.100 -0.391 0.000 0.841 292 P CB 1.351 32.702 31.700 -0.582 0.000 1.122 293 L N 1.735 122.885 121.223 -0.121 0.000 2.257 293 L HA 0.225 4.569 4.340 0.007 0.000 0.290 293 L C 0.096 176.947 176.870 -0.032 0.000 1.044 293 L CA -0.373 54.452 54.840 -0.026 0.000 0.810 293 L CB 0.014 42.147 42.059 0.123 0.000 1.193 293 L HN 0.236 nan 8.230 nan 0.000 0.425 294 L N 5.806 126.988 121.223 -0.069 0.000 2.313 294 L HA 0.382 4.726 4.340 0.007 0.000 0.282 294 L C -0.072 176.757 176.870 -0.068 0.000 1.092 294 L CA 0.398 55.151 54.840 -0.145 0.000 0.831 294 L CB 0.556 42.519 42.059 -0.161 0.000 1.159 294 L HN 0.508 nan 8.230 nan 0.000 0.442 295 L N 3.709 124.874 121.223 -0.096 0.000 2.309 295 L HA 0.609 4.953 4.340 0.007 0.000 0.261 295 L C -0.417 176.363 176.870 -0.149 0.000 1.021 295 L CA -0.655 54.177 54.840 -0.014 0.000 0.823 295 L CB 2.381 44.535 42.059 0.160 0.000 1.366 295 L HN 0.517 nan 8.230 nan 0.000 0.423 296 Q N 1.280 121.037 119.800 -0.073 0.000 2.331 296 Q HA 0.620 4.964 4.340 0.007 0.000 0.249 296 Q C -1.863 174.067 176.000 -0.116 0.000 0.913 296 Q CA -0.468 55.269 55.803 -0.109 0.000 0.874 296 Q CB 2.215 30.914 28.738 -0.064 0.000 1.384 296 Q HN 0.770 nan 8.270 nan 0.000 0.427 297 A N 4.412 127.110 122.820 -0.204 0.000 2.264 297 A HA 0.810 5.134 4.320 0.007 0.000 0.304 297 A C -2.491 174.839 177.584 -0.423 0.000 1.100 297 A CA -1.566 50.182 52.037 -0.483 0.000 0.839 297 A CB 0.288 19.085 19.000 -0.339 0.000 1.121 297 A HN 0.560 nan 8.150 nan 0.000 0.496 298 P HA 0.046 nan 4.420 nan 0.000 0.261 298 P C -0.208 177.006 177.300 -0.143 0.000 1.173 298 P CA 0.883 63.807 63.100 -0.294 0.000 0.760 298 P CB 0.257 31.808 31.700 -0.248 0.000 0.783 299 D N -0.301 120.060 120.400 -0.065 0.000 3.324 299 D HA -0.223 4.421 4.640 0.007 0.000 0.183 299 D C 0.149 176.435 176.300 -0.023 0.000 1.646 299 D CA 1.535 55.520 54.000 -0.024 0.000 2.139 299 D CB -1.179 39.609 40.800 -0.019 0.000 1.346 299 D HN 0.545 nan 8.370 nan 0.000 0.405 300 E N 1.606 121.774 120.200 -0.054 0.000 2.459 300 E HA 0.299 4.653 4.350 0.007 0.000 0.264 300 E C 0.428 177.003 176.600 -0.041 0.000 1.055 300 E CA 0.460 56.830 56.400 -0.049 0.000 0.957 300 E CB 0.476 30.135 29.700 -0.068 0.000 0.952 300 E HN 0.399 nan 8.360 nan 0.000 0.448 301 A N 4.177 126.973 122.820 -0.039 0.000 2.386 301 A HA 0.231 4.555 4.320 0.007 0.000 0.248 301 A C -2.037 175.470 177.584 -0.128 0.000 1.082 301 A CA -1.207 50.802 52.037 -0.046 0.000 0.789 301 A CB -0.173 18.805 19.000 -0.035 0.000 1.025 301 A HN 0.345 nan 8.150 nan 0.000 0.490 302 P HA 0.167 nan 4.420 nan 0.000 0.267 302 P C -0.499 176.577 177.300 -0.374 0.000 1.209 302 P CA 0.329 63.119 63.100 -0.516 0.000 0.763 302 P CB 0.583 31.524 31.700 -1.265 0.000 0.816 303 E N 1.705 121.724 120.200 -0.302 0.000 2.227 303 E HA 0.503 4.857 4.350 0.007 0.000 0.268 303 E C -0.622 175.652 176.600 -0.542 0.000 0.990 303 E CA -1.076 55.100 56.400 -0.373 0.000 0.856 303 E CB 1.559 31.070 29.700 -0.315 0.000 1.159 303 E HN 0.367 nan 8.360 nan 0.000 0.401 304 L N 2.961 123.730 121.223 -0.755 0.000 2.345 304 L HA 0.443 4.787 4.340 0.007 0.000 0.274 304 L C -1.737 174.668 176.870 -0.775 0.000 0.999 304 L CA -0.396 54.090 54.840 -0.589 0.000 0.849 304 L CB 0.193 42.061 42.059 -0.319 0.000 1.220 304 L HN 0.384 nan 8.230 nan 0.000 0.422 305 F N 4.041 123.821 119.950 -0.282 0.000 2.480 305 F HA 0.640 5.172 4.527 0.009 0.000 0.329 305 F C 0.039 175.636 175.800 -0.338 0.000 1.091 305 F CA -0.891 56.833 58.000 -0.460 0.000 0.972 305 F CB 1.865 40.334 39.000 -0.886 0.000 1.150 305 F HN 0.033 nan 8.300 nan 0.000 0.467 306 V N 3.635 123.472 119.914 -0.129 0.000 2.612 306 V HA 0.410 4.535 4.120 0.007 0.000 0.301 306 V C -0.031 176.145 176.094 0.137 0.000 1.046 306 V CA -1.013 61.284 62.300 -0.004 0.000 0.946 306 V CB 1.853 33.703 31.823 0.045 0.000 1.003 306 V HN 0.525 nan 8.190 nan 0.000 0.459 307 L N 4.549 125.876 121.223 0.173 0.000 2.305 307 L HA 0.403 4.747 4.340 0.007 0.000 0.281 307 L C -2.165 174.800 176.870 0.159 0.000 1.085 307 L CA -1.708 53.269 54.840 0.228 0.000 0.813 307 L CB 0.627 42.761 42.059 0.124 0.000 1.157 307 L HN 0.410 nan 8.230 nan 0.000 0.436 308 P HA -0.057 nan 4.420 nan 0.000 0.259 308 P C -2.102 175.246 177.300 0.080 0.000 1.155 308 P CA -0.549 62.618 63.100 0.111 0.000 0.759 308 P CB 0.138 31.895 31.700 0.096 0.000 0.753 309 P HA -0.130 nan 4.420 nan 0.000 0.217 309 P C 1.252 178.583 177.300 0.051 0.000 1.154 309 P CA 1.123 64.262 63.100 0.066 0.000 0.841 309 P CB -0.105 31.638 31.700 0.072 0.000 0.788 310 E N 0.153 120.381 120.200 0.046 0.000 2.515 310 E HA -0.126 4.228 4.350 0.007 0.000 0.201 310 E C 1.491 178.109 176.600 0.030 0.000 1.071 310 E CA 0.708 57.129 56.400 0.035 0.000 0.880 310 E CB -0.919 28.800 29.700 0.031 0.000 0.828 310 E HN 0.212 nan 8.360 nan 0.000 0.540 311 L N 0.432 121.676 121.223 0.034 0.000 2.375 311 L HA 0.079 4.423 4.340 0.007 0.000 0.215 311 L C 0.705 177.590 176.870 0.025 0.000 1.108 311 L CA 0.492 55.347 54.840 0.025 0.000 0.830 311 L CB 0.572 42.645 42.059 0.023 0.000 0.959 311 L HN -0.110 nan 8.230 nan 0.000 0.457 312 V N 1.669 121.599 119.914 0.027 0.000 2.270 312 V HA 0.181 4.306 4.120 0.007 0.000 0.263 312 V C -0.256 175.863 176.094 0.042 0.000 1.066 312 V CA -0.742 61.571 62.300 0.020 0.000 0.857 312 V CB 0.916 32.733 31.823 -0.009 0.000 1.099 312 V HN 0.002 nan 8.190 nan 0.000 0.476 313 L N 6.177 127.434 121.223 0.057 0.000 2.385 313 L HA 0.385 4.730 4.340 0.007 0.000 0.281 313 L C 0.376 177.303 176.870 0.094 0.000 1.106 313 L CA 0.615 55.487 54.840 0.054 0.000 0.856 313 L CB 0.023 42.104 42.059 0.035 0.000 1.186 313 L HN 0.647 nan 8.230 nan 0.000 0.453 314 E N 3.601 123.847 120.200 0.078 0.000 2.259 314 E HA 0.697 5.051 4.350 0.007 0.000 0.257 314 E C -1.270 175.323 176.600 -0.012 0.000 0.998 314 E CA -1.165 55.295 56.400 0.100 0.000 0.866 314 E CB 1.953 31.738 29.700 0.141 0.000 1.220 314 E HN 0.346 nan 8.360 nan 0.000 0.415 315 V N 1.974 121.873 119.914 -0.025 0.000 2.525 315 V HA 0.300 4.424 4.120 0.007 0.000 0.299 315 V C -2.358 173.725 176.094 -0.020 0.000 1.034 315 V CA -1.930 60.299 62.300 -0.117 0.000 0.863 315 V CB 1.465 33.064 31.823 -0.373 0.000 0.999 315 V HN 0.585 nan 8.190 nan 0.000 0.423 316 P HA 0.260 nan 4.420 nan 0.000 0.272 316 P C -0.925 176.410 177.300 0.058 0.000 1.223 316 P CA -0.098 63.002 63.100 0.001 0.000 0.784 316 P CB 1.231 32.934 31.700 0.005 0.000 0.923 317 L N 2.230 123.520 121.223 0.113 0.000 2.317 317 L HA 0.479 4.823 4.340 0.007 0.000 0.281 317 L C 0.969 178.022 176.870 0.305 0.000 1.024 317 L CA -0.418 54.557 54.840 0.226 0.000 0.810 317 L CB 1.321 43.579 42.059 0.331 0.000 1.240 317 L HN 0.545 nan 8.230 nan 0.000 0.427 318 E N 1.542 121.898 120.200 0.259 0.000 2.449 318 E HA 0.396 4.750 4.350 0.007 0.000 0.278 318 E C -1.457 175.193 176.600 0.082 0.000 0.992 318 E CA -0.932 55.625 56.400 0.263 0.000 0.807 318 E CB 2.541 32.359 29.700 0.196 0.000 1.350 318 E HN 0.471 nan 8.360 nan 0.000 0.462 319 H N 1.652 120.640 119.070 -0.137 0.000 2.505 319 H HA 0.217 4.778 4.556 0.007 0.000 0.338 319 H C -1.837 173.276 175.328 -0.358 0.000 1.057 319 H CA -2.158 53.669 56.048 -0.370 0.000 1.202 319 H CB 1.929 31.353 29.762 -0.564 0.000 1.466 319 H HN 0.385 nan 8.280 nan 0.000 0.499 320 P HA -0.225 nan 4.420 nan 0.000 0.217 320 P C 1.225 178.356 177.300 -0.282 0.000 1.162 320 P CA 2.559 65.231 63.100 -0.714 0.000 0.901 320 P CB 0.235 31.461 31.700 -0.789 0.000 0.793 321 T N -2.719 111.777 114.554 -0.098 0.000 2.980 321 T HA 0.098 4.452 4.350 0.007 0.000 0.239 321 T C 1.186 175.869 174.700 -0.029 0.000 1.011 321 T CA -0.179 61.919 62.100 -0.003 0.000 1.171 321 T CB -1.125 67.751 68.868 0.013 0.000 0.873 321 T HN -0.080 nan 8.240 nan 0.000 0.431 322 L N 2.778 123.947 121.223 -0.090 0.000 2.654 322 L HA 0.146 4.490 4.340 0.007 0.000 0.271 322 L C 1.602 178.152 176.870 -0.534 0.000 1.169 322 L CA 0.060 54.518 54.840 -0.638 0.000 0.947 322 L CB 0.240 41.455 42.059 -1.408 0.000 1.232 322 L HN 0.404 nan 8.230 nan 0.000 0.486 323 E N 3.944 123.934 120.200 -0.351 0.000 2.204 323 E HA -0.164 4.190 4.350 0.007 0.000 0.194 323 E C 1.461 178.027 176.600 -0.056 0.000 0.989 323 E CA 1.218 57.546 56.400 -0.120 0.000 0.824 323 E CB 0.074 29.780 29.700 0.009 0.000 0.756 323 E HN 0.818 nan 8.360 nan 0.000 0.477 324 W N -0.577 120.778 121.300 0.091 0.000 3.047 324 W HA 0.050 4.715 4.660 0.007 0.000 0.250 324 W C 1.306 177.883 176.519 0.098 0.000 1.314 324 W CA -0.344 57.043 57.345 0.071 0.000 1.540 324 W CB -0.739 28.740 29.460 0.033 0.000 1.127 324 W HN -0.050 nan 8.180 nan 0.000 0.679 325 F N 3.022 122.843 119.950 -0.214 0.000 2.134 325 F HA -0.061 4.470 4.527 0.007 0.000 0.299 325 F C 2.684 178.534 175.800 0.084 0.000 1.097 325 F CA 2.799 60.768 58.000 -0.050 0.000 1.264 325 F CB -0.555 38.298 39.000 -0.244 0.000 1.001 325 F HN -0.090 nan 8.300 nan 0.000 0.479 326 A N -0.043 122.932 122.820 0.258 0.000 2.024 326 A HA -0.119 4.205 4.320 0.007 0.000 0.220 326 A C 2.259 179.907 177.584 0.106 0.000 1.164 326 A CA 1.645 53.793 52.037 0.185 0.000 0.643 326 A CB -1.351 17.735 19.000 0.142 0.000 0.806 326 A HN 0.449 nan 8.150 nan 0.000 0.451 327 A N -0.705 122.185 122.820 0.117 0.000 2.067 327 A HA 0.184 4.508 4.320 0.007 0.000 0.217 327 A C 1.689 179.303 177.584 0.051 0.000 1.156 327 A CA 0.810 52.904 52.037 0.096 0.000 0.683 327 A CB -0.269 18.813 19.000 0.136 0.000 0.808 327 A HN 0.366 nan 8.150 nan 0.000 0.455 328 L N -0.489 120.730 121.223 -0.007 0.000 2.450 328 L HA -0.046 4.298 4.340 0.007 0.000 0.224 328 L C 1.780 178.641 176.870 -0.014 0.000 1.149 328 L CA 1.531 56.335 54.840 -0.059 0.000 0.816 328 L CB -2.170 39.753 42.059 -0.227 0.000 0.932 328 L HN 0.651 nan 8.230 nan 0.000 0.449 329 G N 0.450 109.253 108.800 0.004 0.000 2.249 329 G HA2 -0.300 3.664 3.960 0.007 0.000 0.273 329 G HA3 -0.300 3.664 3.960 0.007 0.000 0.273 329 G C 0.318 175.225 174.900 0.011 0.000 1.036 329 G CA 0.274 45.394 45.100 0.033 0.000 0.824 329 G HN 0.346 nan 8.290 nan 0.000 0.504 330 L N -0.586 120.612 121.223 -0.042 0.000 2.454 330 L HA 0.869 5.213 4.340 0.007 0.000 0.256 330 L C 1.033 177.744 176.870 -0.265 0.000 1.136 330 L CA -0.642 54.130 54.840 -0.114 0.000 0.804 330 L CB 1.080 43.128 42.059 -0.017 0.000 1.181 330 L HN 0.561 nan 8.230 nan 0.000 0.469 331 R N 0.480 120.699 120.500 -0.469 0.000 2.728 331 R HA 0.228 4.573 4.340 0.007 0.000 0.259 331 R C -2.187 174.126 176.300 0.021 0.000 1.057 331 R CA -0.812 55.118 56.100 -0.283 0.000 0.908 331 R CB 0.736 30.776 30.300 -0.433 0.000 1.259 331 R HN 0.695 nan 8.270 nan 0.000 0.472 332 W N 2.670 123.970 121.300 -0.000 0.000 3.583 332 W HA 0.566 5.230 4.660 0.007 0.000 0.376 332 W C -1.099 175.585 176.519 0.275 0.000 1.282 332 W CA -0.928 56.520 57.345 0.170 0.000 0.959 332 W CB 1.885 31.351 29.460 0.010 0.000 1.968 332 W HN 0.619 nan 8.180 nan 0.000 0.640 333 Y N -0.801 119.688 120.300 0.315 0.000 2.477 333 Y HA 0.653 5.207 4.550 0.006 0.000 0.347 333 Y C 0.499 176.651 175.900 0.420 0.000 0.981 333 Y CA -0.788 57.428 58.100 0.193 0.000 1.033 333 Y CB 0.457 38.875 38.460 -0.070 0.000 1.245 333 Y HN 0.436 nan 8.280 nan 0.000 0.455 334 A N 2.372 125.405 122.820 0.354 0.000 1.848 334 A HA -0.167 4.157 4.320 0.007 0.000 0.217 334 A C 0.681 178.535 177.584 0.449 0.000 1.220 334 A CA 1.529 53.784 52.037 0.362 0.000 0.645 334 A CB -0.775 18.340 19.000 0.191 0.000 0.842 334 A HN 0.724 nan 8.150 nan 0.000 0.451 335 L N 1.509 122.956 121.223 0.375 0.000 2.360 335 L HA 0.342 4.686 4.340 0.007 0.000 0.276 335 L C -2.292 174.687 176.870 0.180 0.000 1.121 335 L CA -1.852 53.130 54.840 0.237 0.000 0.845 335 L CB 1.027 43.196 42.059 0.184 0.000 1.143 335 L HN 0.150 nan 8.230 nan 0.000 0.452 336 P HA 0.298 nan 4.420 nan 0.000 0.273 336 P C -1.467 175.775 177.300 -0.097 0.000 1.531 336 P CA -0.369 62.567 63.100 -0.274 0.000 1.027 336 P CB 1.022 32.157 31.700 -0.942 0.000 1.387 337 A N 4.494 127.289 122.820 -0.042 0.000 2.394 337 A HA 0.422 4.746 4.320 0.007 0.000 0.333 337 A C 0.121 177.570 177.584 -0.226 0.000 1.397 337 A CA -0.671 51.285 52.037 -0.134 0.000 0.884 337 A CB 0.430 19.344 19.000 -0.144 0.000 1.147 337 A HN 0.290 nan 8.150 nan 0.000 0.505 338 V N 2.628 122.306 119.914 -0.394 0.000 2.740 338 V HA 0.232 4.356 4.120 0.007 0.000 0.303 338 V C 1.211 176.923 176.094 -0.636 0.000 1.054 338 V CA 1.435 63.408 62.300 -0.545 0.000 1.106 338 V CB 1.253 32.534 31.823 -0.904 0.000 0.957 338 V HN 1.135 nan 8.190 nan 0.000 0.486 339 S N 1.044 116.530 115.700 -0.356 0.000 2.612 339 S HA -0.004 4.470 4.470 0.007 0.000 0.278 339 S C 0.955 175.505 174.600 -0.084 0.000 1.082 339 S CA 0.123 58.193 58.200 -0.217 0.000 1.185 339 S CB -0.283 62.848 63.200 -0.116 0.000 1.077 339 S HN 0.876 nan 8.310 nan 0.000 0.585 340 N N 0.907 119.574 118.700 -0.055 0.000 2.370 340 N HA 0.234 4.978 4.740 0.007 0.000 0.198 340 N C 0.037 175.572 175.510 0.041 0.000 1.156 340 N CA -0.188 52.876 53.050 0.022 0.000 0.839 340 N CB 0.019 38.536 38.487 0.050 0.000 0.989 340 N HN 0.332 nan 8.380 nan 0.000 0.468 341 M N 1.401 121.020 119.600 0.031 0.000 2.456 341 M HA 0.299 4.783 4.480 0.007 0.000 0.324 341 M C -1.122 175.295 176.300 0.194 0.000 1.124 341 M CA -1.102 54.255 55.300 0.095 0.000 0.959 341 M CB 2.893 35.535 32.600 0.069 0.000 1.692 341 M HN 0.062 nan 8.290 nan 0.000 0.444 342 L N 4.353 125.689 121.223 0.189 0.000 2.281 342 L HA 0.477 4.822 4.340 0.007 0.000 0.285 342 L C -1.234 175.750 176.870 0.190 0.000 1.074 342 L CA -0.425 54.518 54.840 0.171 0.000 0.817 342 L CB 0.710 42.826 42.059 0.095 0.000 1.168 342 L HN 0.641 nan 8.230 nan 0.000 0.434 343 L N 5.289 126.615 121.223 0.171 0.000 2.275 343 L HA 0.548 4.892 4.340 0.007 0.000 0.288 343 L C -0.607 176.275 176.870 0.021 0.000 1.046 343 L CA 0.270 55.059 54.840 -0.086 0.000 0.805 343 L CB 1.024 42.997 42.059 -0.142 0.000 1.193 343 L HN 0.710 nan 8.230 nan 0.000 0.426 344 E N 6.197 126.315 120.200 -0.137 0.000 2.165 344 E HA 0.463 4.817 4.350 0.007 0.000 0.266 344 E C -1.653 174.866 176.600 -0.135 0.000 0.889 344 E CA -0.408 55.937 56.400 -0.092 0.000 0.756 344 E CB 1.290 30.934 29.700 -0.094 0.000 1.131 344 E HN 0.759 nan 8.360 nan 0.000 0.411 345 I N 1.899 122.399 120.570 -0.117 0.000 2.619 345 I HA 0.279 4.453 4.170 0.007 0.000 0.292 345 I C 1.003 176.916 176.117 -0.340 0.000 1.100 345 I CA -0.617 60.502 61.300 -0.301 0.000 1.043 345 I CB 2.204 39.979 38.000 -0.374 0.000 1.239 345 I HN 0.752 nan 8.210 nan 0.000 0.420 346 G N 3.978 112.558 108.800 -0.367 0.000 2.468 346 G HA2 -0.132 3.832 3.960 0.007 0.000 0.311 346 G HA3 -0.132 3.832 3.960 0.007 0.000 0.311 346 G C 1.040 175.978 174.900 0.063 0.000 0.942 346 G CA 1.187 46.255 45.100 -0.053 0.000 0.893 346 G HN 1.569 nan 8.290 nan 0.000 0.513 347 G N -1.973 106.810 108.800 -0.027 0.000 2.284 347 G HA2 -0.211 3.753 3.960 0.007 0.000 0.216 347 G HA3 -0.211 3.753 3.960 0.007 0.000 0.216 347 G C 0.565 175.384 174.900 -0.136 0.000 1.009 347 G CA 0.132 45.217 45.100 -0.024 0.000 0.625 347 G HN 1.091 nan 8.290 nan 0.000 0.501 348 L N 1.190 122.262 121.223 -0.252 0.000 2.464 348 L HA 0.525 4.869 4.340 0.007 0.000 0.264 348 L C 0.300 176.865 176.870 -0.508 0.000 1.199 348 L CA -0.044 54.530 54.840 -0.443 0.000 0.818 348 L CB 0.493 42.211 42.059 -0.568 0.000 1.102 348 L HN 0.159 nan 8.230 nan 0.000 0.473 349 E N 1.413 121.215 120.200 -0.663 0.000 2.218 349 E HA 0.205 4.559 4.350 0.007 0.000 0.263 349 E C -0.314 175.924 176.600 -0.604 0.000 0.879 349 E CA -0.245 55.867 56.400 -0.481 0.000 0.762 349 E CB 1.587 31.143 29.700 -0.239 0.000 1.166 349 E HN 0.434 nan 8.360 nan 0.000 0.415 350 F N 1.094 121.021 119.950 -0.038 0.000 2.619 350 F HA -0.135 4.398 4.527 0.009 0.000 0.293 350 F C 2.184 178.030 175.800 0.076 0.000 1.119 350 F CA 0.749 58.749 58.000 0.001 0.000 1.445 350 F CB 0.206 39.183 39.000 -0.038 0.000 1.119 350 F HN 0.646 nan 8.300 nan 0.000 0.573 351 S N 0.637 116.451 115.700 0.190 0.000 2.050 351 S HA -0.398 4.076 4.470 0.007 0.000 0.207 351 S C 0.711 175.445 174.600 0.224 0.000 1.119 351 S CA 1.027 59.331 58.200 0.173 0.000 1.767 351 S CB -1.872 61.413 63.200 0.141 0.000 2.446 351 S HN 0.746 nan 8.310 nan 0.000 0.584 352 A N 1.109 124.109 122.820 0.300 0.000 2.536 352 A HA 0.856 5.180 4.320 0.007 0.000 0.329 352 A C 0.055 177.894 177.584 0.425 0.000 1.321 352 A CA 0.185 52.428 52.037 0.344 0.000 0.804 352 A CB 0.951 20.157 19.000 0.343 0.000 1.126 352 A HN 1.974 nan 8.150 nan 0.000 0.480 353 A N 4.024 127.016 122.820 0.287 0.000 3.300 353 A HA 0.669 4.993 4.320 0.007 0.000 0.300 353 A C -3.075 174.599 177.584 0.150 0.000 1.099 353 A CA -1.085 51.068 52.037 0.192 0.000 0.846 353 A CB 0.542 19.645 19.000 0.171 0.000 1.255 353 A HN 0.472 nan 8.150 nan 0.000 0.519 354 P HA 0.593 nan 4.420 nan 0.000 0.279 354 P C -0.870 176.356 177.300 -0.123 0.000 1.239 354 P CA -0.007 62.990 63.100 -0.170 0.000 0.789 354 P CB 0.714 32.315 31.700 -0.166 0.000 0.933 355 F N -0.726 119.171 119.950 -0.089 0.000 2.593 355 F HA 0.832 5.363 4.527 0.006 0.000 0.320 355 F C -0.656 175.070 175.800 -0.122 0.000 1.060 355 F CA -1.325 56.630 58.000 -0.074 0.000 0.940 355 F CB 1.510 40.379 39.000 -0.218 0.000 1.268 355 F HN 0.398 nan 8.300 nan 0.000 0.475 356 S N -0.228 115.608 115.700 0.226 0.000 2.535 356 S HA 0.824 5.298 4.470 0.007 0.000 0.272 356 S C -0.672 173.929 174.600 0.002 0.000 1.149 356 S CA -0.286 57.971 58.200 0.096 0.000 0.888 356 S CB 1.199 64.460 63.200 0.101 0.000 1.110 356 S HN 1.350 nan 8.310 nan 0.000 0.463 357 G N 0.460 109.192 108.800 -0.115 0.000 3.414 357 G HA2 0.784 4.748 3.960 0.007 0.000 0.196 357 G HA3 0.784 4.748 3.960 0.007 0.000 0.196 357 G C -1.075 173.838 174.900 0.021 0.000 1.486 357 G CA -0.473 44.489 45.100 -0.230 0.000 0.811 357 G HN 1.025 nan 8.290 nan 0.000 0.704 358 W N -1.992 119.322 121.300 0.024 0.000 3.029 358 W HA 0.793 5.456 4.660 0.005 0.000 0.339 358 W C -1.684 174.856 176.519 0.035 0.000 1.198 358 W CA -2.014 55.355 57.345 0.040 0.000 1.148 358 W CB 0.527 30.055 29.460 0.113 0.000 1.451 358 W HN 0.329 nan 8.180 nan 0.000 0.564 359 Y N 2.551 123.051 120.300 0.333 0.000 2.336 359 Y HA 0.293 4.848 4.550 0.008 0.000 0.331 359 Y C 0.819 176.787 175.900 0.115 0.000 1.211 359 Y CA -1.057 57.122 58.100 0.131 0.000 1.346 359 Y CB 1.150 39.608 38.460 -0.002 0.000 1.271 359 Y HN 0.383 nan 8.280 nan 0.000 0.538 360 M N 2.259 122.017 119.600 0.262 0.000 2.264 360 M HA 0.182 4.666 4.480 0.007 0.000 0.352 360 M C 1.092 177.391 176.300 -0.001 0.000 1.173 360 M CA -0.291 55.089 55.300 0.132 0.000 1.075 360 M CB 1.291 33.960 32.600 0.116 0.000 1.621 360 M HN 0.851 nan 8.290 nan 0.000 0.457 361 S N 1.494 117.160 115.700 -0.056 0.000 2.420 361 S HA -0.168 4.306 4.470 0.007 0.000 0.237 361 S C 1.597 176.101 174.600 -0.160 0.000 1.023 361 S CA 2.028 60.124 58.200 -0.173 0.000 0.991 361 S CB -1.021 62.099 63.200 -0.133 0.000 0.792 361 S HN 0.942 nan 8.310 nan 0.000 0.488 362 T N -0.111 114.403 114.554 -0.068 0.000 2.867 362 T HA -0.010 4.344 4.350 0.007 0.000 0.268 362 T C 1.566 176.162 174.700 -0.174 0.000 1.057 362 T CA 1.288 63.323 62.100 -0.108 0.000 1.136 362 T CB -0.595 68.209 68.868 -0.108 0.000 0.874 362 T HN 0.571 nan 8.240 nan 0.000 0.466 363 E N 0.575 120.675 120.200 -0.167 0.000 2.110 363 E HA -0.007 4.347 4.350 0.007 0.000 0.193 363 E C 2.020 178.377 176.600 -0.406 0.000 0.988 363 E CA 1.425 57.707 56.400 -0.196 0.000 0.804 363 E CB -0.243 29.422 29.700 -0.058 0.000 0.745 363 E HN 0.636 nan 8.360 nan 0.000 0.458 364 I N -0.647 119.565 120.570 -0.597 0.000 2.400 364 I HA -0.043 4.131 4.170 0.007 0.000 0.248 364 I C 2.279 178.059 176.117 -0.561 0.000 1.109 364 I CA 0.990 61.760 61.300 -0.884 0.000 1.425 364 I CB -0.058 37.298 38.000 -1.073 0.000 1.094 364 I HN 0.109 nan 8.210 nan 0.000 0.425 365 G N -0.553 108.038 108.800 -0.348 0.000 2.796 365 G HA2 -0.011 3.954 3.960 0.007 0.000 0.210 365 G HA3 -0.011 3.954 3.960 0.007 0.000 0.210 365 G C 1.488 176.308 174.900 -0.133 0.000 1.146 365 G CA 0.484 45.466 45.100 -0.196 0.000 0.779 365 G HN 0.189 nan 8.290 nan 0.000 0.535 366 T N 0.052 114.511 114.554 -0.159 0.000 3.053 366 T HA 0.108 4.462 4.350 0.007 0.000 0.236 366 T C 2.516 177.145 174.700 -0.118 0.000 0.996 366 T CA 0.125 62.150 62.100 -0.126 0.000 1.185 366 T CB 0.198 68.980 68.868 -0.144 0.000 0.892 366 T HN -0.031 nan 8.240 nan 0.000 0.432 367 R N 2.240 122.653 120.500 -0.145 0.000 2.056 367 R HA 0.148 4.492 4.340 0.007 0.000 0.227 367 R C 2.085 178.343 176.300 -0.069 0.000 1.149 367 R CA 1.147 57.184 56.100 -0.104 0.000 0.937 367 R CB -1.137 29.104 30.300 -0.099 0.000 0.835 367 R HN 0.368 nan 8.270 nan 0.000 0.430 368 N N 0.857 119.471 118.700 -0.144 0.000 2.216 368 N HA -0.041 4.703 4.740 0.007 0.000 0.183 368 N C 1.874 177.409 175.510 0.042 0.000 1.017 368 N CA 0.877 53.885 53.050 -0.070 0.000 0.861 368 N CB -0.008 38.230 38.487 -0.416 0.000 0.986 368 N HN 0.198 nan 8.380 nan 0.000 0.428 369 L N -0.728 120.442 121.223 -0.088 0.000 2.529 369 L HA 0.147 4.491 4.340 0.007 0.000 0.223 369 L C 1.244 178.167 176.870 0.088 0.000 1.113 369 L CA 0.230 55.090 54.840 0.033 0.000 0.861 369 L CB 0.248 42.275 42.059 -0.054 0.000 1.012 369 L HN 0.157 nan 8.230 nan 0.000 0.461 370 C N -1.560 117.764 119.300 0.039 0.000 3.294 370 C HA 0.157 4.622 4.460 0.007 0.000 0.441 370 C C 0.688 175.699 174.990 0.035 0.000 1.364 370 C CA -0.675 58.369 59.018 0.043 0.000 2.059 370 C CB 0.299 28.043 27.740 0.007 0.000 2.925 370 C HN 0.307 nan 8.230 nan 0.000 0.633 371 D N 3.126 123.538 120.400 0.020 0.000 2.533 371 D HA 0.037 4.681 4.640 0.007 0.000 0.236 371 D C -1.360 174.965 176.300 0.041 0.000 1.137 371 D CA -0.608 53.402 54.000 0.016 0.000 0.867 371 D CB 0.682 41.486 40.800 0.007 0.000 1.170 371 D HN 0.267 nan 8.370 nan 0.000 0.474 372 P HA -0.064 nan 4.420 nan 0.000 0.227 372 P C 0.245 177.564 177.300 0.031 0.000 1.161 372 P CA 0.531 63.657 63.100 0.042 0.000 0.788 372 P CB 0.170 31.892 31.700 0.037 0.000 0.822 373 S N -1.301 114.412 115.700 0.022 0.000 2.767 373 S HA 0.307 4.782 4.470 0.007 0.000 0.253 373 S C 0.809 175.420 174.600 0.017 0.000 1.082 373 S CA -0.470 57.740 58.200 0.016 0.000 1.148 373 S CB -0.237 62.972 63.200 0.014 0.000 0.808 373 S HN -0.099 nan 8.310 nan 0.000 0.466 374 R N -0.410 120.103 120.500 0.022 0.000 3.326 374 R HA 0.358 4.702 4.340 0.007 0.000 0.149 374 R C 0.515 176.803 176.300 -0.021 0.000 0.820 374 R CA -0.636 55.472 56.100 0.013 0.000 0.573 374 R CB -0.856 29.502 30.300 0.096 0.000 1.019 374 R HN 0.263 nan 8.270 nan 0.000 0.362 375 Y N 1.993 122.349 120.300 0.093 0.000 2.145 375 Y HA -0.093 4.461 4.550 0.007 0.000 0.286 375 Y C 0.815 176.751 175.900 0.060 0.000 1.145 375 Y CA 2.015 60.165 58.100 0.082 0.000 1.148 375 Y CB -0.002 38.543 38.460 0.141 0.000 0.981 375 Y HN 0.551 nan 8.280 nan 0.000 0.507 376 N N 1.042 119.871 118.700 0.216 0.000 2.607 376 N HA -0.224 4.521 4.740 0.007 0.000 0.285 376 N C 0.425 176.025 175.510 0.150 0.000 1.151 376 N CA 0.134 53.271 53.050 0.146 0.000 0.749 376 N CB -0.657 37.891 38.487 0.101 0.000 0.923 376 N HN 0.575 nan 8.380 nan 0.000 0.552 377 I N 0.158 120.822 120.570 0.155 0.000 2.558 377 I HA 0.004 4.178 4.170 0.007 0.000 0.229 377 I C 2.073 178.273 176.117 0.138 0.000 1.060 377 I CA 0.269 61.648 61.300 0.132 0.000 1.396 377 I CB -0.710 37.362 38.000 0.120 0.000 1.207 377 I HN 0.497 nan 8.210 nan 0.000 0.423 378 L N 0.042 121.361 121.223 0.161 0.000 3.905 378 L HA -0.478 3.867 4.340 0.007 0.000 0.053 378 L C 2.265 179.291 176.870 0.261 0.000 4.067 378 L CA 2.748 57.713 54.840 0.207 0.000 0.968 378 L CB -1.475 40.697 42.059 0.188 0.000 3.354 378 L HN 0.719 nan 8.230 nan 0.000 0.831 379 E N -0.687 119.687 120.200 0.290 0.000 2.119 379 E HA -0.358 3.996 4.350 0.007 0.000 0.221 379 E C 1.568 178.187 176.600 0.031 0.000 1.062 379 E CA 2.451 58.937 56.400 0.143 0.000 0.894 379 E CB -0.293 29.458 29.700 0.085 0.000 0.785 379 E HN 0.728 nan 8.360 nan 0.000 0.472 380 D N -0.256 120.168 120.400 0.040 0.000 2.269 380 D HA -0.209 4.435 4.640 0.007 0.000 0.191 380 D C 2.035 178.337 176.300 0.004 0.000 1.007 380 D CA 2.298 56.302 54.000 0.006 0.000 0.855 380 D CB -0.576 40.241 40.800 0.028 0.000 0.979 380 D HN 0.179 nan 8.370 nan 0.000 0.452 381 V N 0.680 120.647 119.914 0.089 0.000 2.568 381 V HA -0.174 3.950 4.120 0.007 0.000 0.253 381 V C 2.280 178.469 176.094 0.158 0.000 1.072 381 V CA 1.767 64.171 62.300 0.174 0.000 1.084 381 V CB -0.888 31.117 31.823 0.303 0.000 0.676 381 V HN 0.239 nan 8.190 nan 0.000 0.469 382 A N -0.611 122.289 122.820 0.133 0.000 2.208 382 A HA 0.114 4.438 4.320 0.007 0.000 0.209 382 A C 2.201 179.759 177.584 -0.043 0.000 1.161 382 A CA 0.952 53.061 52.037 0.120 0.000 0.782 382 A CB -0.181 18.977 19.000 0.263 0.000 0.816 382 A HN 0.345 nan 8.150 nan 0.000 0.477 383 V N -0.885 118.959 119.914 -0.116 0.000 2.500 383 V HA -0.205 3.919 4.120 0.007 0.000 0.243 383 V C 2.455 178.404 176.094 -0.242 0.000 1.039 383 V CA 1.788 63.979 62.300 -0.181 0.000 1.053 383 V CB -0.813 30.903 31.823 -0.179 0.000 0.695 383 V HN 0.717 nan 8.190 nan 0.000 0.463 384 C N -0.041 119.041 119.300 -0.362 0.000 2.419 384 C HA -0.146 4.318 4.460 0.007 0.000 0.281 384 C C 2.733 177.359 174.990 -0.608 0.000 1.336 384 C CA 0.593 59.167 59.018 -0.739 0.000 1.770 384 C CB -1.251 25.715 27.740 -1.290 0.000 1.929 384 C HN 0.478 nan 8.230 nan 0.000 0.509 385 M N 0.262 119.752 119.600 -0.183 0.000 2.394 385 M HA -0.065 4.419 4.480 0.007 0.000 0.264 385 M C 0.979 177.297 176.300 0.030 0.000 1.073 385 M CA 1.642 56.996 55.300 0.091 0.000 1.111 385 M CB -0.481 32.235 32.600 0.193 0.000 1.401 385 M HN 0.387 nan 8.290 nan 0.000 0.448 386 D N 0.015 120.378 120.400 -0.061 0.000 3.110 386 D HA -0.117 4.527 4.640 0.007 0.000 0.214 386 D C -0.635 175.645 176.300 -0.034 0.000 1.112 386 D CA 0.309 54.274 54.000 -0.058 0.000 0.927 386 D CB -1.164 39.619 40.800 -0.028 0.000 1.095 386 D HN 0.246 nan 8.370 nan 0.000 0.429 387 L N 0.408 121.614 121.223 -0.029 0.000 2.418 387 L HA 0.307 4.651 4.340 0.007 0.000 0.265 387 L C 0.797 177.609 176.870 -0.097 0.000 1.143 387 L CA -0.413 54.426 54.840 -0.000 0.000 0.809 387 L CB 0.642 42.765 42.059 0.106 0.000 1.124 387 L HN 0.043 nan 8.230 nan 0.000 0.456 388 D N 0.745 121.116 120.400 -0.048 0.000 2.374 388 D HA 0.024 4.669 4.640 0.007 0.000 0.240 388 D C 1.014 177.170 176.300 -0.239 0.000 1.229 388 D CA -0.097 53.844 54.000 -0.098 0.000 0.895 388 D CB 1.028 41.825 40.800 -0.004 0.000 1.046 388 D HN 0.633 nan 8.370 nan 0.000 0.498 389 T N 1.464 115.714 114.554 -0.506 0.000 3.051 389 T HA 0.008 4.362 4.350 0.007 0.000 0.255 389 T C 1.831 176.338 174.700 -0.321 0.000 1.085 389 T CA 0.159 61.673 62.100 -0.976 0.000 1.109 389 T CB 0.109 68.096 68.868 -1.468 0.000 0.921 389 T HN 0.158 nan 8.240 nan 0.000 0.488 390 R N 1.408 121.800 120.500 -0.181 0.000 2.165 390 R HA -0.030 4.314 4.340 0.007 0.000 0.254 390 R C 1.275 177.600 176.300 0.043 0.000 1.153 390 R CA 1.619 57.686 56.100 -0.055 0.000 0.971 390 R CB -0.981 29.292 30.300 -0.044 0.000 0.878 390 R HN 0.441 nan 8.270 nan 0.000 0.449 391 T N -1.705 112.902 114.554 0.087 0.000 2.794 391 T HA 0.160 4.514 4.350 0.007 0.000 0.280 391 T C 1.306 176.184 174.700 0.297 0.000 0.987 391 T CA -0.090 62.101 62.100 0.151 0.000 0.993 391 T CB 1.512 70.438 68.868 0.096 0.000 0.939 391 T HN 0.380 nan 8.240 nan 0.000 0.449 392 T N 1.815 116.502 114.554 0.222 0.000 2.746 392 T HA -0.109 4.246 4.350 0.007 0.000 0.267 392 T C 1.844 176.596 174.700 0.087 0.000 1.039 392 T CA 1.823 64.027 62.100 0.174 0.000 1.142 392 T CB -0.531 68.384 68.868 0.078 0.000 0.866 392 T HN 0.607 nan 8.240 nan 0.000 0.444 393 S N 1.240 116.991 115.700 0.084 0.000 2.603 393 S HA 0.089 4.563 4.470 0.007 0.000 0.220 393 S C 1.975 176.612 174.600 0.062 0.000 0.967 393 S CA 0.487 58.713 58.200 0.044 0.000 0.920 393 S CB -0.512 62.708 63.200 0.033 0.000 0.773 393 S HN 0.741 nan 8.310 nan 0.000 0.529 394 S N 1.739 117.517 115.700 0.130 0.000 2.607 394 S HA 0.208 4.682 4.470 0.007 0.000 0.224 394 S C 0.874 175.548 174.600 0.122 0.000 0.969 394 S CA -0.134 58.154 58.200 0.147 0.000 0.927 394 S CB -1.023 62.313 63.200 0.226 0.000 0.772 394 S HN 0.574 nan 8.310 nan 0.000 0.533 395 L N 0.882 122.122 121.223 0.028 0.000 3.678 395 L HA -0.175 4.169 4.340 0.007 0.000 0.425 395 L C 1.535 178.368 176.870 -0.061 0.000 1.240 395 L CA 0.621 55.408 54.840 -0.089 0.000 0.876 395 L CB -2.253 39.780 42.059 -0.043 0.000 1.766 395 L HN 0.728 nan 8.230 nan 0.000 0.917 396 W N -0.595 120.712 121.300 0.012 0.000 2.436 396 W HA -0.039 4.625 4.660 0.007 0.000 0.284 396 W C 1.718 178.250 176.519 0.020 0.000 1.225 396 W CA 0.862 58.218 57.345 0.018 0.000 1.271 396 W CB -0.617 28.853 29.460 0.016 0.000 1.114 396 W HN 0.252 nan 8.180 nan 0.000 0.559 397 K N 1.115 120.879 120.400 -1.060 0.000 2.063 397 K HA -0.191 4.133 4.320 0.007 0.000 0.208 397 K C 1.468 177.887 176.600 -0.302 0.000 1.048 397 K CA 2.550 58.314 56.287 -0.871 0.000 0.928 397 K CB -0.165 31.729 32.500 -1.011 0.000 0.713 397 K HN 0.104 nan 8.250 nan 0.000 0.442 398 D N 0.256 120.509 120.400 -0.244 0.000 2.107 398 D HA -0.089 4.555 4.640 0.007 0.000 0.204 398 D C 1.680 177.958 176.300 -0.037 0.000 0.978 398 D CA 0.862 54.788 54.000 -0.125 0.000 0.852 398 D CB -0.304 40.426 40.800 -0.117 0.000 1.008 398 D HN -0.000 nan 8.370 nan 0.000 0.458 399 K N 0.517 120.917 120.400 0.001 0.000 2.066 399 K HA -0.297 4.028 4.320 0.007 0.000 0.221 399 K C 2.166 178.817 176.600 0.086 0.000 1.056 399 K CA 1.953 58.273 56.287 0.056 0.000 0.950 399 K CB -0.427 32.129 32.500 0.093 0.000 0.726 399 K HN 0.143 nan 8.250 nan 0.000 0.456 400 A N 0.831 123.729 122.820 0.130 0.000 1.873 400 A HA -0.245 4.079 4.320 0.007 0.000 0.218 400 A C 2.331 179.995 177.584 0.132 0.000 1.193 400 A CA 2.462 54.602 52.037 0.172 0.000 0.629 400 A CB -0.985 18.161 19.000 0.243 0.000 0.826 400 A HN 0.488 nan 8.150 nan 0.000 0.447 401 A N -0.568 122.298 122.820 0.076 0.000 1.902 401 A HA 0.004 4.328 4.320 0.007 0.000 0.217 401 A C 2.227 179.830 177.584 0.031 0.000 1.181 401 A CA 1.933 53.996 52.037 0.043 0.000 0.623 401 A CB -1.174 17.818 19.000 -0.013 0.000 0.818 401 A HN 0.579 nan 8.150 nan 0.000 0.443 402 V N 0.724 120.653 119.914 0.026 0.000 2.233 402 V HA -0.346 3.778 4.120 0.007 0.000 0.252 402 V C 2.496 178.618 176.094 0.046 0.000 1.063 402 V CA 2.383 64.704 62.300 0.035 0.000 1.032 402 V CB -1.070 30.778 31.823 0.042 0.000 0.645 402 V HN 0.574 nan 8.190 nan 0.000 0.446 403 E N -0.050 120.194 120.200 0.072 0.000 2.118 403 E HA -0.168 4.186 4.350 0.007 0.000 0.195 403 E C 2.156 178.768 176.600 0.021 0.000 0.992 403 E CA 1.480 57.934 56.400 0.090 0.000 0.804 403 E CB -0.417 29.326 29.700 0.072 0.000 0.741 403 E HN 0.631 nan 8.360 nan 0.000 0.458 404 I N 2.023 122.630 120.570 0.061 0.000 2.039 404 I HA -0.369 3.806 4.170 0.007 0.000 0.233 404 I C 2.207 178.304 176.117 -0.032 0.000 1.040 404 I CA 1.341 62.683 61.300 0.069 0.000 1.308 404 I CB -0.701 37.389 38.000 0.148 0.000 1.035 404 I HN 0.116 nan 8.210 nan 0.000 0.392 405 N N 0.807 119.489 118.700 -0.030 0.000 2.073 405 N HA -0.274 4.470 4.740 0.007 0.000 0.199 405 N C 1.874 177.340 175.510 -0.073 0.000 1.023 405 N CA 1.885 54.902 53.050 -0.055 0.000 0.880 405 N CB -0.608 37.874 38.487 -0.008 0.000 1.052 405 N HN 0.244 nan 8.380 nan 0.000 0.449 406 L N 1.383 122.562 121.223 -0.073 0.000 2.012 406 L HA -0.077 4.267 4.340 0.007 0.000 0.210 406 L C 2.289 179.048 176.870 -0.185 0.000 1.073 406 L CA 1.822 56.589 54.840 -0.122 0.000 0.748 406 L CB -0.988 40.984 42.059 -0.145 0.000 0.891 406 L HN 0.149 nan 8.230 nan 0.000 0.431 407 A N -1.354 121.309 122.820 -0.262 0.000 2.067 407 A HA -0.060 4.264 4.320 0.007 0.000 0.219 407 A C 2.188 179.712 177.584 -0.099 0.000 1.158 407 A CA 1.550 53.395 52.037 -0.321 0.000 0.661 407 A CB -0.888 17.591 19.000 -0.868 0.000 0.801 407 A HN 0.352 nan 8.150 nan 0.000 0.452 408 V N -0.175 119.690 119.914 -0.080 0.000 2.244 408 V HA -0.252 3.872 4.120 0.007 0.000 0.244 408 V C 2.473 178.546 176.094 -0.035 0.000 1.042 408 V CA 1.878 64.148 62.300 -0.050 0.000 1.006 408 V CB -0.949 30.769 31.823 -0.175 0.000 0.641 408 V HN 0.560 nan 8.190 nan 0.000 0.446 409 L N -0.299 120.875 121.223 -0.081 0.000 1.978 409 L HA -0.315 4.029 4.340 0.007 0.000 0.218 409 L C 2.701 179.594 176.870 0.038 0.000 1.075 409 L CA 2.605 57.420 54.840 -0.041 0.000 0.767 409 L CB -0.727 41.303 42.059 -0.049 0.000 0.890 409 L HN 0.524 nan 8.230 nan 0.000 0.434 410 H N -1.116 117.912 119.070 -0.070 0.000 2.387 410 H HA -0.128 4.432 4.556 0.008 0.000 0.299 410 H C 2.266 177.593 175.328 -0.002 0.000 1.090 410 H CA 1.814 57.819 56.048 -0.072 0.000 1.332 410 H CB 0.048 29.707 29.762 -0.173 0.000 1.386 410 H HN 0.224 nan 8.280 nan 0.000 0.516 411 S N -0.467 115.222 115.700 -0.018 0.000 2.382 411 S HA -0.095 4.380 4.470 0.007 0.000 0.228 411 S C 1.722 176.325 174.600 0.005 0.000 1.027 411 S CA 1.130 59.320 58.200 -0.016 0.000 0.991 411 S CB -0.336 62.947 63.200 0.137 0.000 0.823 411 S HN 0.323 nan 8.310 nan 0.000 0.469 412 F N 1.936 121.821 119.950 -0.108 0.000 2.128 412 F HA -0.010 4.521 4.527 0.007 0.000 0.295 412 F C 2.598 178.331 175.800 -0.113 0.000 1.100 412 F CA 0.860 58.816 58.000 -0.072 0.000 1.260 412 F CB -0.857 38.127 39.000 -0.025 0.000 1.009 412 F HN 0.150 nan 8.300 nan 0.000 0.476 413 Q N -0.457 119.375 119.800 0.054 0.000 2.173 413 Q HA -0.259 4.085 4.340 0.007 0.000 0.208 413 Q C 2.065 177.998 176.000 -0.112 0.000 0.989 413 Q CA 1.879 57.658 55.803 -0.041 0.000 0.872 413 Q CB -0.467 28.232 28.738 -0.066 0.000 0.909 413 Q HN 0.411 nan 8.270 nan 0.000 0.420 414 L N -1.193 119.907 121.223 -0.204 0.000 2.477 414 L HA 0.206 4.551 4.340 0.007 0.000 0.220 414 L C 1.562 178.340 176.870 -0.154 0.000 1.106 414 L CA 0.934 55.638 54.840 -0.227 0.000 0.851 414 L CB 0.111 41.922 42.059 -0.414 0.000 0.994 414 L HN 0.002 nan 8.230 nan 0.000 0.462 415 A N -0.846 121.882 122.820 -0.154 0.000 2.275 415 A HA 0.165 4.489 4.320 0.007 0.000 0.212 415 A C 0.632 178.145 177.584 -0.119 0.000 1.201 415 A CA -0.207 51.744 52.037 -0.142 0.000 0.843 415 A CB -0.292 18.590 19.000 -0.197 0.000 0.873 415 A HN 0.336 nan 8.150 nan 0.000 0.492 416 K N -0.526 119.813 120.400 -0.102 0.000 3.393 416 K HA -0.121 4.203 4.320 0.007 0.000 0.272 416 K C -0.762 175.788 176.600 -0.083 0.000 1.004 416 K CA 0.747 56.986 56.287 -0.080 0.000 0.764 416 K CB -2.411 30.047 32.500 -0.071 0.000 1.373 416 K HN 0.285 nan 8.250 nan 0.000 0.458 417 V N 0.508 120.375 119.914 -0.079 0.000 2.769 417 V HA 0.288 4.412 4.120 0.007 0.000 0.312 417 V C 0.583 176.721 176.094 0.075 0.000 1.061 417 V CA -0.785 61.481 62.300 -0.057 0.000 0.931 417 V CB 2.301 33.987 31.823 -0.228 0.000 1.010 417 V HN 0.300 nan 8.190 nan 0.000 0.433 418 T N 5.082 119.676 114.554 0.066 0.000 2.737 418 T HA 0.587 4.941 4.350 0.007 0.000 0.296 418 T C -0.329 174.433 174.700 0.102 0.000 0.922 418 T CA 0.349 62.402 62.100 -0.078 0.000 1.079 418 T CB 0.437 69.076 68.868 -0.381 0.000 0.892 418 T HN 0.429 nan 8.240 nan 0.000 0.514 419 I N 2.921 123.510 120.570 0.032 0.000 3.466 419 I HA 0.836 5.010 4.170 0.007 0.000 0.311 419 I C -1.461 174.678 176.117 0.037 0.000 1.155 419 I CA -1.149 60.196 61.300 0.075 0.000 0.959 419 I CB 2.404 40.395 38.000 -0.015 0.000 1.332 419 I HN 0.365 nan 8.210 nan 0.000 0.483 420 V N 3.127 123.088 119.914 0.078 0.000 2.854 420 V HA 0.293 4.417 4.120 0.007 0.000 0.274 420 V C -1.863 174.272 176.094 0.068 0.000 1.423 420 V CA -0.437 61.930 62.300 0.112 0.000 0.925 420 V CB 1.287 33.276 31.823 0.277 0.000 1.116 420 V HN 0.948 nan 8.190 nan 0.000 0.459 421 D N 5.036 125.441 120.400 0.009 0.000 2.360 421 D HA 0.198 4.842 4.640 0.007 0.000 0.242 421 D C 1.471 177.739 176.300 -0.053 0.000 1.184 421 D CA 0.563 54.530 54.000 -0.056 0.000 0.930 421 D CB 0.494 41.222 40.800 -0.120 0.000 1.161 421 D HN 0.756 nan 8.370 nan 0.000 0.447 422 H N -0.103 118.955 119.070 -0.019 0.000 2.489 422 H HA -0.134 4.426 4.556 0.007 0.000 0.293 422 H C 0.915 176.174 175.328 -0.115 0.000 1.066 422 H CA 1.201 57.190 56.048 -0.098 0.000 1.305 422 H CB -0.423 29.220 29.762 -0.200 0.000 1.386 422 H HN 0.536 nan 8.280 nan 0.000 0.551 423 H N 1.086 120.022 119.070 -0.222 0.000 2.343 423 H HA 0.135 4.695 4.556 0.007 0.000 0.303 423 H C 2.580 177.906 175.328 -0.005 0.000 1.068 423 H CA 1.063 57.075 56.048 -0.059 0.000 1.359 423 H CB -0.106 29.588 29.762 -0.114 0.000 1.402 423 H HN 0.482 nan 8.280 nan 0.000 0.515 424 A N 1.656 124.545 122.820 0.114 0.000 1.908 424 A HA -0.168 4.156 4.320 0.007 0.000 0.218 424 A C 2.679 180.336 177.584 0.121 0.000 1.181 424 A CA 1.924 54.019 52.037 0.097 0.000 0.627 424 A CB -0.873 18.167 19.000 0.068 0.000 0.818 424 A HN 0.445 nan 8.150 nan 0.000 0.445 425 A N -0.232 122.661 122.820 0.122 0.000 1.835 425 A HA -0.114 4.211 4.320 0.007 0.000 0.215 425 A C 2.496 180.178 177.584 0.164 0.000 1.199 425 A CA 2.970 55.096 52.037 0.148 0.000 0.615 425 A CB -1.683 17.394 19.000 0.128 0.000 0.838 425 A HN 0.792 nan 8.150 nan 0.000 0.444 426 T N -1.368 113.263 114.554 0.128 0.000 2.624 426 T HA -0.222 4.132 4.350 0.007 0.000 0.268 426 T C 1.692 176.518 174.700 0.210 0.000 1.041 426 T CA 1.992 64.182 62.100 0.149 0.000 1.159 426 T CB -1.305 67.617 68.868 0.089 0.000 0.863 426 T HN 0.125 nan 8.240 nan 0.000 0.434 427 V N 2.770 122.787 119.914 0.172 0.000 2.370 427 V HA -0.214 3.910 4.120 0.007 0.000 0.252 427 V C 3.167 179.354 176.094 0.156 0.000 1.068 427 V CA 2.270 64.664 62.300 0.156 0.000 1.061 427 V CB -1.156 30.741 31.823 0.123 0.000 0.656 427 V HN 0.865 nan 8.190 nan 0.000 0.455 428 S N -0.766 115.033 115.700 0.165 0.000 2.425 428 S HA -0.109 4.365 4.470 0.007 0.000 0.225 428 S C 1.890 176.595 174.600 0.175 0.000 1.024 428 S CA 0.917 59.205 58.200 0.147 0.000 0.951 428 S CB -0.675 62.605 63.200 0.133 0.000 0.796 428 S HN 0.518 nan 8.310 nan 0.000 0.498 429 F N 2.254 122.255 119.950 0.085 0.000 2.202 429 F HA 0.005 4.536 4.527 0.007 0.000 0.301 429 F C 2.251 178.133 175.800 0.137 0.000 1.082 429 F CA 1.377 59.437 58.000 0.100 0.000 1.313 429 F CB -0.258 38.781 39.000 0.065 0.000 1.024 429 F HN 0.112 nan 8.300 nan 0.000 0.495 430 M N 0.036 119.788 119.600 0.252 0.000 2.132 430 M HA -0.160 4.324 4.480 0.007 0.000 0.263 430 M C 2.218 178.528 176.300 0.017 0.000 1.065 430 M CA 1.445 56.834 55.300 0.147 0.000 1.122 430 M CB -1.054 31.655 32.600 0.182 0.000 1.365 430 M HN 0.074 nan 8.290 nan 0.000 0.411 431 K N 0.031 120.453 120.400 0.037 0.000 2.032 431 K HA -0.231 4.093 4.320 0.007 0.000 0.209 431 K C 1.934 178.511 176.600 -0.039 0.000 1.048 431 K CA 2.009 58.303 56.287 0.012 0.000 0.927 431 K CB -0.779 31.746 32.500 0.042 0.000 0.712 431 K HN 0.375 nan 8.250 nan 0.000 0.441 432 H N 0.021 118.985 119.070 -0.177 0.000 2.319 432 H HA -0.088 4.472 4.556 0.007 0.000 0.297 432 H C 1.781 176.919 175.328 -0.316 0.000 1.097 432 H CA 2.408 58.293 56.048 -0.271 0.000 1.285 432 H CB -0.352 29.146 29.762 -0.440 0.000 1.368 432 H HN 0.212 nan 8.280 nan 0.000 0.495 433 L N -0.293 120.612 121.223 -0.529 0.000 2.079 433 L HA -0.183 4.161 4.340 0.007 0.000 0.210 433 L C 2.269 178.960 176.870 -0.300 0.000 1.081 433 L CA 1.875 56.439 54.840 -0.461 0.000 0.752 433 L CB -0.380 41.543 42.059 -0.226 0.000 0.896 433 L HN 0.432 nan 8.230 nan 0.000 0.433 434 D N -0.637 119.642 120.400 -0.202 0.000 2.149 434 D HA -0.155 4.489 4.640 0.007 0.000 0.201 434 D C 1.896 178.114 176.300 -0.136 0.000 0.972 434 D CA 0.917 54.842 54.000 -0.126 0.000 0.835 434 D CB 0.162 40.920 40.800 -0.069 0.000 0.966 434 D HN 0.176 nan 8.370 nan 0.000 0.476 435 N N 0.760 119.361 118.700 -0.164 0.000 2.043 435 N HA -0.147 4.597 4.740 0.007 0.000 0.193 435 N C 1.630 177.043 175.510 -0.162 0.000 1.037 435 N CA 0.905 53.880 53.050 -0.125 0.000 0.851 435 N CB -0.459 37.982 38.487 -0.077 0.000 1.027 435 N HN 0.211 nan 8.380 nan 0.000 0.422 436 E N 0.789 120.798 120.200 -0.317 0.000 2.130 436 E HA -0.209 4.146 4.350 0.007 0.000 0.196 436 E C 1.925 178.420 176.600 -0.175 0.000 0.998 436 E CA 0.859 57.082 56.400 -0.296 0.000 0.806 436 E CB -0.225 29.196 29.700 -0.464 0.000 0.738 436 E HN 0.367 nan 8.360 nan 0.000 0.459 437 Q N 1.148 120.854 119.800 -0.158 0.000 1.975 437 Q HA -0.134 4.211 4.340 0.007 0.000 0.205 437 Q C 2.007 177.962 176.000 -0.075 0.000 0.990 437 Q CA 1.940 57.685 55.803 -0.098 0.000 0.845 437 Q CB -0.192 28.497 28.738 -0.081 0.000 0.913 437 Q HN 0.069 nan 8.270 nan 0.000 0.420 438 K N -0.948 119.412 120.400 -0.067 0.000 2.160 438 K HA -0.164 4.160 4.320 0.007 0.000 0.206 438 K C 1.749 178.323 176.600 -0.042 0.000 1.047 438 K CA 1.420 57.679 56.287 -0.047 0.000 0.930 438 K CB -0.203 32.274 32.500 -0.037 0.000 0.720 438 K HN 0.327 nan 8.250 nan 0.000 0.450 439 A N -0.114 122.677 122.820 -0.048 0.000 1.901 439 A HA 0.083 4.408 4.320 0.007 0.000 0.210 439 A C 1.820 179.382 177.584 -0.036 0.000 1.208 439 A CA 0.687 52.706 52.037 -0.029 0.000 0.644 439 A CB 0.159 19.152 19.000 -0.011 0.000 0.863 439 A HN 0.079 nan 8.150 nan 0.000 0.454 440 R N -2.506 117.958 120.500 -0.059 0.000 2.435 440 R HA 0.248 4.593 4.340 0.007 0.000 0.221 440 R C 0.815 177.078 176.300 -0.061 0.000 0.885 440 R CA 0.720 56.787 56.100 -0.055 0.000 1.018 440 R CB 0.919 31.175 30.300 -0.074 0.000 1.259 440 R HN 0.739 nan 8.270 nan 0.000 0.597 441 G N 0.645 109.403 108.800 -0.071 0.000 2.131 441 G HA2 -0.131 3.834 3.960 0.007 0.000 0.201 441 G HA3 -0.131 3.834 3.960 0.007 0.000 0.201 441 G C 0.133 175.002 174.900 -0.051 0.000 1.000 441 G CA -0.117 44.936 45.100 -0.080 0.000 0.680 441 G HN 0.717 nan 8.290 nan 0.000 0.514 442 G N -2.264 106.519 108.800 -0.028 0.000 2.320 442 G HA2 0.544 4.508 3.960 0.007 0.000 0.297 442 G HA3 0.544 4.508 3.960 0.007 0.000 0.297 442 G C -1.025 173.888 174.900 0.021 0.000 1.344 442 G CA 0.317 45.438 45.100 0.034 0.000 0.851 442 G HN 1.763 nan 8.290 nan 0.000 0.567 443 C N 2.115 121.455 119.300 0.068 0.000 2.705 443 C HA 0.721 5.185 4.460 0.007 0.000 0.369 443 C C -2.453 172.532 174.990 -0.007 0.000 1.069 443 C CA -1.241 57.769 59.018 -0.014 0.000 1.260 443 C CB 1.263 28.934 27.740 -0.115 0.000 1.764 443 C HN 0.672 nan 8.230 nan 0.000 0.469 444 P HA 0.373 nan 4.420 nan 0.000 0.267 444 P C -0.740 176.466 177.300 -0.157 0.000 1.205 444 P CA 0.541 63.282 63.100 -0.598 0.000 0.765 444 P CB 0.980 32.039 31.700 -1.070 0.000 0.828 445 A N 2.518 125.315 122.820 -0.038 0.000 2.455 445 A HA 0.374 4.698 4.320 0.007 0.000 0.300 445 A C -0.745 176.892 177.584 0.088 0.000 1.040 445 A CA -0.534 51.552 52.037 0.081 0.000 0.697 445 A CB 1.227 20.359 19.000 0.220 0.000 1.265 445 A HN 0.434 nan 8.150 nan 0.000 0.407 446 D N 2.181 122.620 120.400 0.066 0.000 2.564 446 D HA 0.092 4.737 4.640 0.007 0.000 0.226 446 D C 0.974 177.419 176.300 0.241 0.000 1.149 446 D CA -0.538 53.533 54.000 0.119 0.000 0.994 446 D CB -0.090 40.693 40.800 -0.029 0.000 1.029 446 D HN 0.605 nan 8.370 nan 0.000 0.517 447 W N 3.796 125.141 121.300 0.075 0.000 2.269 447 W HA -0.442 4.222 4.660 0.008 0.000 0.336 447 W C 2.068 178.641 176.519 0.089 0.000 1.333 447 W CA 3.219 60.597 57.345 0.056 0.000 1.299 447 W CB -0.317 29.159 29.460 0.027 0.000 1.126 447 W HN 0.465 nan 8.180 nan 0.000 0.474 448 A N -1.006 122.114 122.820 0.501 0.000 1.927 448 A HA -0.273 4.052 4.320 0.007 0.000 0.220 448 A C 1.591 179.227 177.584 0.087 0.000 1.185 448 A CA 2.123 54.362 52.037 0.336 0.000 0.639 448 A CB -1.594 17.625 19.000 0.364 0.000 0.820 448 A HN 0.578 nan 8.150 nan 0.000 0.451 449 W N -0.405 120.870 121.300 -0.040 0.000 2.476 449 W HA 0.066 4.730 4.660 0.007 0.000 0.281 449 W C 2.000 178.402 176.519 -0.195 0.000 1.230 449 W CA 0.314 57.607 57.345 -0.087 0.000 1.287 449 W CB -0.278 29.162 29.460 -0.034 0.000 1.108 449 W HN 0.196 nan 8.180 nan 0.000 0.567 450 I N -0.358 120.166 120.570 -0.076 0.000 2.233 450 I HA -0.095 4.079 4.170 0.007 0.000 0.243 450 I C 0.771 176.654 176.117 -0.390 0.000 1.093 450 I CA 0.728 61.833 61.300 -0.325 0.000 1.380 450 I CB -1.713 35.988 38.000 -0.499 0.000 1.067 450 I HN -0.393 nan 8.210 nan 0.000 0.413 451 V N 4.489 124.082 119.914 -0.536 0.000 2.450 451 V HA 0.043 4.167 4.120 0.007 0.000 0.281 451 V C -1.829 174.064 176.094 -0.336 0.000 1.019 451 V CA -0.923 61.068 62.300 -0.514 0.000 1.062 451 V CB -0.156 31.159 31.823 -0.847 0.000 0.979 451 V HN 0.148 nan 8.190 nan 0.000 0.477 452 P HA 0.118 nan 4.420 nan 0.000 0.269 452 P C -2.072 175.061 177.300 -0.279 0.000 1.217 452 P CA -1.066 61.880 63.100 -0.257 0.000 0.783 452 P CB -0.035 31.491 31.700 -0.290 0.000 0.898 453 P HA 0.015 nan 4.420 nan 0.000 0.229 453 P C 0.301 177.450 177.300 -0.251 0.000 1.160 453 P CA 1.011 63.968 63.100 -0.239 0.000 0.777 453 P CB -0.086 31.485 31.700 -0.215 0.000 0.814 454 I N -7.146 113.219 120.570 -0.342 0.000 3.023 454 I HA 0.443 4.617 4.170 0.007 0.000 0.312 454 I C 0.126 175.998 176.117 -0.407 0.000 1.056 454 I CA -1.232 59.864 61.300 -0.340 0.000 1.033 454 I CB 1.661 39.474 38.000 -0.311 0.000 1.233 454 I HN -0.321 nan 8.210 nan 0.000 0.462 455 S N 0.871 116.394 115.700 -0.294 0.000 3.419 455 S HA -0.240 4.234 4.470 0.007 0.000 0.350 455 S C 1.321 175.752 174.600 -0.282 0.000 1.128 455 S CA 0.771 58.826 58.200 -0.241 0.000 0.999 455 S CB -2.547 60.561 63.200 -0.153 0.000 0.923 455 S HN 1.393 nan 8.310 nan 0.000 0.522 456 G N 2.840 111.450 108.800 -0.318 0.000 2.833 456 G HA2 -0.410 3.555 3.960 0.007 0.000 0.226 456 G HA3 -0.410 3.555 3.960 0.007 0.000 0.226 456 G C 1.507 176.089 174.900 -0.529 0.000 1.228 456 G CA 2.184 47.075 45.100 -0.348 0.000 0.779 456 G HN 1.514 nan 8.290 nan 0.000 0.651 457 S N -0.064 115.052 115.700 -0.973 0.000 2.500 457 S HA 0.059 4.533 4.470 0.007 0.000 0.239 457 S C 1.942 176.438 174.600 -0.173 0.000 0.989 457 S CA 1.136 58.641 58.200 -1.158 0.000 0.951 457 S CB -0.050 62.528 63.200 -1.037 0.000 0.759 457 S HN 0.108 nan 8.310 nan 0.000 0.523 458 L N 2.202 123.370 121.223 -0.091 0.000 2.509 458 L HA 0.249 4.593 4.340 0.007 0.000 0.222 458 L C 1.366 178.353 176.870 0.194 0.000 1.123 458 L CA 0.622 55.523 54.840 0.102 0.000 0.856 458 L CB -1.579 40.567 42.059 0.144 0.000 0.985 458 L HN 0.560 nan 8.230 nan 0.000 0.456 459 T N -4.094 110.543 114.554 0.140 0.000 2.922 459 T HA 0.349 4.703 4.350 0.007 0.000 0.285 459 T C -1.757 173.120 174.700 0.295 0.000 1.005 459 T CA -1.732 60.473 62.100 0.176 0.000 1.061 459 T CB 1.906 70.809 68.868 0.058 0.000 1.007 459 T HN -0.178 nan 8.240 nan 0.000 0.502 460 P HA -0.090 nan 4.420 nan 0.000 0.217 460 P C 1.972 179.499 177.300 0.379 0.000 1.150 460 P CA 0.957 64.242 63.100 0.308 0.000 0.832 460 P CB -0.295 31.531 31.700 0.210 0.000 0.787 461 V N -2.579 117.493 119.914 0.264 0.000 2.392 461 V HA -0.275 3.849 4.120 0.007 0.000 0.249 461 V C 2.076 178.287 176.094 0.196 0.000 1.059 461 V CA 1.574 63.990 62.300 0.194 0.000 1.051 461 V CB -2.141 29.682 31.823 -0.001 0.000 0.658 461 V HN -0.005 nan 8.190 nan 0.000 0.455 462 F N 1.826 121.789 119.950 0.020 0.000 2.214 462 F HA -0.266 4.265 4.527 0.007 0.000 0.302 462 F C 2.301 178.218 175.800 0.195 0.000 1.063 462 F CA 2.587 60.575 58.000 -0.020 0.000 1.319 462 F CB -0.208 38.681 39.000 -0.185 0.000 1.046 462 F HN 0.393 nan 8.300 nan 0.000 0.505 463 H N -1.894 117.355 119.070 0.297 0.000 2.740 463 H HA 0.119 4.679 4.556 0.007 0.000 0.265 463 H C 0.438 175.945 175.328 0.299 0.000 0.978 463 H CA -0.013 56.175 56.048 0.234 0.000 1.198 463 H CB -0.012 29.936 29.762 0.310 0.000 1.467 463 H HN 0.200 nan 8.280 nan 0.000 0.511 464 Q N 2.712 122.763 119.800 0.418 0.000 2.296 464 Q HA 0.055 4.400 4.340 0.007 0.000 0.263 464 Q C -0.416 175.811 176.000 0.377 0.000 1.026 464 Q CA -0.073 55.938 55.803 0.347 0.000 0.912 464 Q CB 0.382 29.304 28.738 0.306 0.000 1.198 464 Q HN 0.263 nan 8.270 nan 0.000 0.407 465 E N 3.435 123.799 120.200 0.273 0.000 2.442 465 E HA 0.051 4.406 4.350 0.007 0.000 0.262 465 E C -0.497 176.240 176.600 0.229 0.000 1.004 465 E CA 0.589 57.097 56.400 0.179 0.000 0.928 465 E CB 0.592 30.383 29.700 0.151 0.000 0.937 465 E HN 0.593 nan 8.360 nan 0.000 0.446 466 M N 1.491 121.227 119.600 0.227 0.000 2.591 466 M HA 0.357 4.841 4.480 0.007 0.000 0.306 466 M C -1.131 175.286 176.300 0.195 0.000 1.190 466 M CA -0.957 54.494 55.300 0.252 0.000 0.889 466 M CB 2.382 35.190 32.600 0.347 0.000 1.728 466 M HN 0.155 nan 8.290 nan 0.000 0.458 467 V N 1.754 121.797 119.914 0.216 0.000 2.384 467 V HA 0.374 4.499 4.120 0.007 0.000 0.287 467 V C -0.527 175.709 176.094 0.235 0.000 1.020 467 V CA -0.739 61.719 62.300 0.263 0.000 0.850 467 V CB 1.399 33.432 31.823 0.350 0.000 0.987 467 V HN 0.845 nan 8.190 nan 0.000 0.436 468 N N 3.295 122.111 118.700 0.195 0.000 2.443 468 N HA 0.726 5.470 4.740 0.007 0.000 0.295 468 N C -1.558 174.073 175.510 0.202 0.000 1.076 468 N CA -0.433 52.648 53.050 0.051 0.000 0.919 468 N CB 1.600 40.117 38.487 0.050 0.000 1.176 468 N HN 0.703 nan 8.380 nan 0.000 0.487 469 Y N 0.150 120.478 120.300 0.046 0.000 2.741 469 Y HA 0.402 4.957 4.550 0.007 0.000 0.339 469 Y C -1.342 174.575 175.900 0.029 0.000 1.226 469 Y CA -1.234 56.889 58.100 0.038 0.000 1.072 469 Y CB 0.619 39.105 38.460 0.043 0.000 1.331 469 Y HN 0.177 nan 8.280 nan 0.000 0.453 470 I N 3.246 123.922 120.570 0.176 0.000 2.337 470 I HA 0.424 4.598 4.170 0.007 0.000 0.285 470 I C -0.894 175.294 176.117 0.119 0.000 1.041 470 I CA -0.532 60.819 61.300 0.086 0.000 1.199 470 I CB 0.687 38.723 38.000 0.061 0.000 1.370 470 I HN 0.445 nan 8.210 nan 0.000 0.470 471 L N 4.268 125.547 121.223 0.093 0.000 2.357 471 L HA 0.478 4.822 4.340 0.007 0.000 0.273 471 L C 0.454 177.352 176.870 0.046 0.000 1.080 471 L CA -0.252 54.645 54.840 0.095 0.000 0.803 471 L CB 1.807 43.924 42.059 0.098 0.000 1.174 471 L HN 0.605 nan 8.230 nan 0.000 0.443 472 S N 2.859 118.595 115.700 0.061 0.000 2.513 472 S HA 0.615 5.090 4.470 0.007 0.000 0.299 472 S C -2.597 172.055 174.600 0.086 0.000 1.087 472 S CA -1.549 56.677 58.200 0.043 0.000 1.012 472 S CB 1.843 65.076 63.200 0.056 0.000 1.044 472 S HN 0.308 nan 8.310 nan 0.000 0.485 473 P HA 0.361 nan 4.420 nan 0.000 0.268 473 P C -0.924 176.305 177.300 -0.118 0.000 1.205 473 P CA -0.080 62.981 63.100 -0.065 0.000 0.771 473 P CB 0.744 32.376 31.700 -0.113 0.000 0.858 474 A N 2.511 125.229 122.820 -0.170 0.000 2.524 474 A HA 0.763 5.087 4.320 0.007 0.000 0.289 474 A C -1.320 176.060 177.584 -0.339 0.000 1.248 474 A CA -0.636 51.298 52.037 -0.171 0.000 0.712 474 A CB 0.818 19.794 19.000 -0.041 0.000 1.312 474 A HN 0.329 nan 8.150 nan 0.000 0.441 475 F N 0.649 120.570 119.950 -0.048 0.000 2.399 475 F HA 0.617 5.147 4.527 0.006 0.000 0.334 475 F C 1.021 176.783 175.800 -0.063 0.000 1.097 475 F CA 0.029 58.005 58.000 -0.040 0.000 1.076 475 F CB 1.517 40.484 39.000 -0.055 0.000 1.162 475 F HN 0.415 nan 8.300 nan 0.000 0.495 476 R N 1.639 122.216 120.500 0.129 0.000 2.711 476 R HA 0.353 4.698 4.340 0.007 0.000 0.284 476 R C -1.259 175.078 176.300 0.063 0.000 0.968 476 R CA -1.145 55.000 56.100 0.075 0.000 0.924 476 R CB 1.655 31.996 30.300 0.067 0.000 1.162 476 R HN 0.506 nan 8.270 nan 0.000 0.465 477 Y N 2.000 122.338 120.300 0.065 0.000 2.578 477 Y HA -0.046 4.509 4.550 0.008 0.000 0.339 477 Y C 0.781 176.691 175.900 0.016 0.000 1.231 477 Y CA 0.742 58.864 58.100 0.037 0.000 1.461 477 Y CB 0.628 39.096 38.460 0.013 0.000 1.323 477 Y HN 0.423 nan 8.280 nan 0.000 0.590 478 Q N 3.735 123.649 119.800 0.189 0.000 2.456 478 Q HA 0.604 4.948 4.340 0.007 0.000 0.283 478 Q C -2.944 173.043 176.000 -0.021 0.000 1.084 478 Q CA -2.398 53.443 55.803 0.063 0.000 0.801 478 Q CB 1.947 30.709 28.738 0.040 0.000 1.434 478 Q HN 0.339 nan 8.270 nan 0.000 0.419 479 P HA -0.020 nan 4.420 nan 0.000 0.266 479 P C -0.737 176.362 177.300 -0.334 0.000 1.193 479 P CA 0.178 63.155 63.100 -0.205 0.000 0.770 479 P CB 0.465 32.048 31.700 -0.194 0.000 0.836 480 D N 3.226 123.283 120.400 -0.572 0.000 2.423 480 D HA 0.022 4.666 4.640 0.007 0.000 0.238 480 D C -1.411 174.275 176.300 -1.024 0.000 1.142 480 D CA -0.779 52.597 54.000 -1.041 0.000 0.884 480 D CB 0.414 40.086 40.800 -1.881 0.000 1.199 480 D HN 0.246 nan 8.370 nan 0.000 0.438 481 P HA -0.016 nan 4.420 nan 0.000 0.226 481 P C 0.062 177.052 177.300 -0.518 0.000 1.153 481 P CA 0.628 63.334 63.100 -0.656 0.000 0.777 481 P CB 0.159 31.360 31.700 -0.831 0.000 0.794 482 W N 0.000 120.913 121.300 -0.645 0.000 2.388 482 W HA 0.000 4.664 4.660 0.006 0.000 0.303 482 W CA 0.000 57.133 57.345 -0.354 0.000 1.226 482 W CB 0.000 29.257 29.460 -0.338 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535