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 9nse_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 67 G C 0.000 174.845 174.900 -0.092 0.000 0.946 67 G CA 0.000 45.084 45.100 -0.028 0.000 0.502 68 P HA 0.375 nan 4.420 nan 0.000 0.269 68 P C -0.445 176.778 177.300 -0.129 0.000 1.209 68 P CA 0.062 63.024 63.100 -0.230 0.000 0.776 68 P CB 0.695 32.090 31.700 -0.507 0.000 0.876 69 K N 2.056 122.282 120.400 -0.291 0.000 3.277 69 K HA 0.213 4.538 4.320 0.009 0.000 0.280 69 K C -0.630 175.521 176.600 -0.748 0.000 1.182 69 K CA 0.075 56.097 56.287 -0.441 0.000 1.219 69 K CB -0.505 31.707 32.500 -0.480 0.000 1.373 69 K HN 0.356 nan 8.250 nan 0.000 0.392 70 F N -0.235 119.770 119.950 0.091 0.000 2.613 70 F HA 0.322 4.854 4.527 0.009 0.000 0.314 70 F C -2.264 173.653 175.800 0.195 0.000 1.075 70 F CA -3.167 54.904 58.000 0.119 0.000 0.945 70 F CB 0.970 40.044 39.000 0.124 0.000 1.310 70 F HN -0.111 nan 8.300 nan 0.000 0.467 71 P HA 0.029 nan 4.420 nan 0.000 0.260 71 P C -0.687 176.643 177.300 0.051 0.000 1.185 71 P CA 0.076 63.262 63.100 0.143 0.000 0.763 71 P CB 0.383 32.148 31.700 0.107 0.000 0.776 72 R N 3.391 123.842 120.500 -0.082 0.000 2.265 72 R HA 0.369 4.714 4.340 0.009 0.000 0.314 72 R C -1.070 175.080 176.300 -0.250 0.000 1.053 72 R CA -0.456 55.377 56.100 -0.445 0.000 0.931 72 R CB 0.432 30.516 30.300 -0.361 0.000 1.024 72 R HN 0.219 nan 8.270 nan 0.000 0.457 73 V N 4.934 124.677 119.914 -0.285 0.000 2.495 73 V HA 0.395 4.520 4.120 0.009 0.000 0.298 73 V C -0.296 175.705 176.094 -0.155 0.000 1.031 73 V CA -0.747 61.476 62.300 -0.129 0.000 0.871 73 V CB 1.570 33.358 31.823 -0.057 0.000 0.988 73 V HN 0.732 nan 8.190 nan 0.000 0.432 74 K N 3.507 123.840 120.400 -0.112 0.000 2.318 74 K HA 0.452 4.777 4.320 0.009 0.000 0.249 74 K C -0.822 175.685 176.600 -0.155 0.000 0.942 74 K CA -0.728 55.420 56.287 -0.231 0.000 0.808 74 K CB 1.811 34.022 32.500 -0.481 0.000 1.189 74 K HN 0.725 nan 8.250 nan 0.000 0.428 75 N N 3.830 122.424 118.700 -0.177 0.000 2.444 75 N HA 0.118 4.864 4.740 0.009 0.000 0.262 75 N C -0.328 175.128 175.510 -0.090 0.000 0.974 75 N CA -0.373 52.677 53.050 0.000 0.000 0.933 75 N CB 0.534 39.049 38.487 0.047 0.000 1.137 75 N HN 0.678 nan 8.380 nan 0.000 0.498 76 W N 2.058 123.430 121.300 0.119 0.000 2.800 76 W HA 0.111 4.776 4.660 0.009 0.000 0.249 76 W C 2.077 178.627 176.519 0.052 0.000 1.294 76 W CA -0.056 57.344 57.345 0.092 0.000 1.402 76 W CB 0.255 29.786 29.460 0.118 0.000 1.126 76 W HN 0.657 nan 8.180 nan 0.000 0.652 77 E N 0.395 120.719 120.200 0.208 0.000 2.122 77 E HA -0.097 4.259 4.350 0.009 0.000 0.190 77 E C 1.654 178.280 176.600 0.043 0.000 0.977 77 E CA 0.965 57.400 56.400 0.058 0.000 0.820 77 E CB -0.110 29.602 29.700 0.020 0.000 0.770 77 E HN 0.280 nan 8.360 nan 0.000 0.462 78 L N -1.155 120.092 121.223 0.041 0.000 2.609 78 L HA 0.339 4.684 4.340 0.009 0.000 0.230 78 L C 1.443 178.296 176.870 -0.028 0.000 1.087 78 L CA 0.371 55.218 54.840 0.011 0.000 0.874 78 L CB 0.705 42.775 42.059 0.018 0.000 1.114 78 L HN 0.336 nan 8.230 nan 0.000 0.488 79 G N 0.889 109.645 108.800 -0.073 0.000 2.155 79 G HA2 -0.305 3.660 3.960 0.009 0.000 0.257 79 G HA3 -0.305 3.660 3.960 0.009 0.000 0.257 79 G C 0.344 175.150 174.900 -0.157 0.000 0.983 79 G CA 0.453 45.461 45.100 -0.154 0.000 0.676 79 G HN 0.455 nan 8.290 nan 0.000 0.528 80 S N -0.084 115.546 115.700 -0.117 0.000 2.584 80 S HA 0.776 5.251 4.470 0.009 0.000 0.273 80 S C 0.231 174.752 174.600 -0.132 0.000 1.311 80 S CA -0.775 57.369 58.200 -0.094 0.000 1.034 80 S CB 2.101 65.272 63.200 -0.049 0.000 0.939 80 S HN 0.379 nan 8.310 nan 0.000 0.513 81 I N 2.374 122.877 120.570 -0.111 0.000 2.603 81 I HA 0.608 4.784 4.170 0.009 0.000 0.300 81 I C 0.365 176.419 176.117 -0.105 0.000 1.017 81 I CA -0.204 61.009 61.300 -0.145 0.000 1.098 81 I CB 1.681 39.602 38.000 -0.131 0.000 1.279 81 I HN 1.061 nan 8.210 nan 0.000 0.437 82 T N 1.674 116.120 114.554 -0.180 0.000 2.868 82 T HA 0.646 5.001 4.350 0.009 0.000 0.306 82 T C -1.381 173.163 174.700 -0.260 0.000 1.224 82 T CA -0.723 61.318 62.100 -0.097 0.000 1.012 82 T CB 1.791 70.630 68.868 -0.048 0.000 1.221 82 T HN 0.254 nan 8.240 nan 0.000 0.499 83 Y N 0.396 120.693 120.300 -0.004 0.000 2.364 83 Y HA 0.487 5.042 4.550 0.009 0.000 0.340 83 Y C -0.006 175.879 175.900 -0.024 0.000 0.975 83 Y CA -0.852 57.261 58.100 0.021 0.000 1.089 83 Y CB 1.801 40.291 38.460 0.049 0.000 1.192 83 Y HN 0.729 nan 8.280 nan 0.000 0.454 84 D N 2.216 122.688 120.400 0.121 0.000 2.411 84 D HA 0.077 4.722 4.640 0.009 0.000 0.225 84 D C 0.712 176.981 176.300 -0.052 0.000 1.156 84 D CA 0.128 54.152 54.000 0.040 0.000 0.874 84 D CB 1.163 42.013 40.800 0.082 0.000 1.034 84 D HN 0.812 nan 8.370 nan 0.000 0.502 85 T N 1.043 115.439 114.554 -0.263 0.000 3.051 85 T HA -0.074 4.281 4.350 0.009 0.000 0.255 85 T C 1.920 176.447 174.700 -0.288 0.000 1.085 85 T CA -0.166 61.593 62.100 -0.567 0.000 1.109 85 T CB 0.089 68.458 68.868 -0.832 0.000 0.921 85 T HN 0.261 nan 8.240 nan 0.000 0.488 86 L N 2.461 123.570 121.223 -0.189 0.000 2.131 86 L HA 0.005 4.350 4.340 0.009 0.000 0.210 86 L C 2.642 179.352 176.870 -0.268 0.000 1.092 86 L CA 1.371 56.136 54.840 -0.125 0.000 0.759 86 L CB -0.940 41.132 42.059 0.020 0.000 0.903 86 L HN 0.671 nan 8.230 nan 0.000 0.435 87 C N -1.628 117.301 119.300 -0.619 0.000 2.422 87 C HA 0.081 4.546 4.460 0.009 0.000 0.286 87 C C 2.772 177.531 174.990 -0.385 0.000 1.412 87 C CA 0.106 58.473 59.018 -1.084 0.000 1.786 87 C CB -2.258 24.813 27.740 -1.116 0.000 1.835 87 C HN 0.576 nan 8.230 nan 0.000 0.533 88 A N 0.210 122.933 122.820 -0.162 0.000 2.067 88 A HA -0.080 4.245 4.320 0.009 0.000 0.219 88 A C 2.255 179.825 177.584 -0.024 0.000 1.158 88 A CA 1.422 53.451 52.037 -0.013 0.000 0.661 88 A CB -0.390 18.673 19.000 0.106 0.000 0.801 88 A HN 0.653 nan 8.150 nan 0.000 0.452 89 Q N 0.109 119.880 119.800 -0.047 0.000 2.424 89 Q HA 0.079 4.424 4.340 0.009 0.000 0.204 89 Q C 0.953 176.966 176.000 0.021 0.000 0.933 89 Q CA 0.470 56.271 55.803 -0.003 0.000 0.929 89 Q CB -0.577 28.166 28.738 0.008 0.000 1.037 89 Q HN 0.521 nan 8.270 nan 0.000 0.511 90 S N 1.175 116.880 115.700 0.007 0.000 2.537 90 S HA -0.009 4.467 4.470 0.009 0.000 0.286 90 S C 0.743 175.371 174.600 0.046 0.000 1.299 90 S CA 0.127 58.364 58.200 0.063 0.000 1.067 90 S CB 0.445 63.695 63.200 0.083 0.000 0.864 90 S HN 0.103 nan 8.310 nan 0.000 0.494 91 Q N 2.113 121.947 119.800 0.056 0.000 2.149 91 Q HA 0.231 4.576 4.340 0.009 0.000 0.221 91 Q C -0.417 175.609 176.000 0.042 0.000 0.807 91 Q CA -0.023 55.806 55.803 0.044 0.000 1.000 91 Q CB 0.762 29.527 28.738 0.046 0.000 1.157 91 Q HN 0.797 nan 8.270 nan 0.000 0.487 92 Q N 1.346 121.176 119.800 0.049 0.000 2.331 92 Q HA 0.261 4.606 4.340 0.009 0.000 0.267 92 Q C -1.278 174.750 176.000 0.048 0.000 1.006 92 Q CA -0.294 55.534 55.803 0.042 0.000 0.818 92 Q CB 1.175 29.935 28.738 0.035 0.000 1.276 92 Q HN -0.152 nan 8.270 nan 0.000 0.450 93 D N 2.510 122.933 120.400 0.039 0.000 2.345 93 D HA 0.371 5.017 4.640 0.009 0.000 0.247 93 D C 0.167 176.492 176.300 0.042 0.000 1.108 93 D CA 0.307 54.331 54.000 0.040 0.000 0.894 93 D CB 1.276 42.095 40.800 0.031 0.000 1.203 93 D HN 0.696 nan 8.370 nan 0.000 0.430 94 G N 0.843 109.673 108.800 0.049 0.000 2.568 94 G HA2 0.343 4.309 3.960 0.009 0.000 0.293 94 G HA3 0.343 4.309 3.960 0.009 0.000 0.293 94 G C -1.659 173.265 174.900 0.041 0.000 1.347 94 G CA -0.722 44.406 45.100 0.047 0.000 1.039 94 G HN 0.292 nan 8.290 nan 0.000 0.523 95 P HA 0.111 nan 4.420 nan 0.000 0.235 95 P C 0.447 177.768 177.300 0.035 0.000 1.177 95 P CA 0.055 63.177 63.100 0.037 0.000 0.785 95 P CB 0.153 31.878 31.700 0.041 0.000 0.885 96 C N 1.194 120.517 119.300 0.038 0.000 2.604 96 C HA 0.514 4.979 4.460 0.009 0.000 0.396 96 C C 1.176 176.183 174.990 0.029 0.000 1.282 96 C CA 0.179 59.217 59.018 0.034 0.000 2.292 96 C CB 0.294 28.058 27.740 0.039 0.000 2.633 96 C HN 0.368 nan 8.230 nan 0.000 0.620 97 T N -1.111 113.457 114.554 0.023 0.000 2.865 97 T HA 0.426 4.782 4.350 0.009 0.000 0.294 97 T C -2.441 172.268 174.700 0.015 0.000 1.119 97 T CA -1.197 60.914 62.100 0.018 0.000 1.007 97 T CB 1.366 70.243 68.868 0.015 0.000 1.225 97 T HN 0.259 nan 8.240 nan 0.000 0.515 98 P HA 0.078 nan 4.420 nan 0.000 0.221 98 P C 1.382 178.686 177.300 0.007 0.000 1.145 98 P CA 0.660 63.766 63.100 0.009 0.000 0.795 98 P CB 0.152 31.855 31.700 0.006 0.000 0.775 99 R N -0.736 119.769 120.500 0.008 0.000 2.100 99 R HA 0.060 4.406 4.340 0.009 0.000 0.220 99 R C 0.811 177.115 176.300 0.007 0.000 1.091 99 R CA 0.771 56.875 56.100 0.006 0.000 0.986 99 R CB 0.061 30.365 30.300 0.006 0.000 0.888 99 R HN 0.185 nan 8.270 nan 0.000 0.444 100 R N -0.137 120.369 120.500 0.010 0.000 2.594 100 R HA 0.156 4.502 4.340 0.009 0.000 0.265 100 R C -1.615 174.694 176.300 0.015 0.000 1.070 100 R CA -0.728 55.379 56.100 0.010 0.000 0.909 100 R CB 0.325 30.631 30.300 0.010 0.000 1.243 100 R HN 0.014 nan 8.270 nan 0.000 0.455 101 C N 3.829 123.138 119.300 0.014 0.000 2.325 101 C HA 0.530 4.995 4.460 0.009 0.000 0.347 101 C C 0.205 175.210 174.990 0.026 0.000 1.263 101 C CA -0.527 58.503 59.018 0.019 0.000 1.806 101 C CB -0.825 26.922 27.740 0.012 0.000 2.405 101 C HN 0.656 nan 8.230 nan 0.000 0.537 102 L N 6.238 127.483 121.223 0.035 0.000 3.062 102 L HA 0.349 4.694 4.340 0.009 0.000 0.255 102 L C 1.860 178.766 176.870 0.059 0.000 1.274 102 L CA 0.623 55.489 54.840 0.043 0.000 1.047 102 L CB 0.049 42.131 42.059 0.040 0.000 1.402 102 L HN 1.014 nan 8.230 nan 0.000 0.550 103 G N -0.799 108.039 108.800 0.063 0.000 2.471 103 G HA2 -0.206 3.759 3.960 0.009 0.000 0.219 103 G HA3 -0.206 3.759 3.960 0.009 0.000 0.219 103 G C 1.441 176.414 174.900 0.122 0.000 1.125 103 G CA 1.012 46.162 45.100 0.084 0.000 0.775 103 G HN 0.512 nan 8.290 nan 0.000 0.548 104 S N -0.155 115.615 115.700 0.116 0.000 2.593 104 S HA 0.333 4.808 4.470 0.009 0.000 0.217 104 S C 0.795 175.488 174.600 0.155 0.000 0.966 104 S CA -0.494 57.795 58.200 0.150 0.000 0.914 104 S CB -0.141 63.127 63.200 0.113 0.000 0.776 104 S HN 0.117 nan 8.310 nan 0.000 0.523 105 L N 2.063 123.363 121.223 0.128 0.000 2.331 105 L HA 0.282 4.628 4.340 0.009 0.000 0.278 105 L C 1.441 178.410 176.870 0.165 0.000 1.106 105 L CA -0.480 54.431 54.840 0.120 0.000 0.824 105 L CB 1.080 43.187 42.059 0.080 0.000 1.142 105 L HN 0.032 nan 8.230 nan 0.000 0.443 106 V N 4.495 124.520 119.914 0.186 0.000 2.270 106 V HA -0.185 3.941 4.120 0.009 0.000 0.245 106 V C 1.085 177.266 176.094 0.145 0.000 1.043 106 V CA 1.486 63.935 62.300 0.247 0.000 1.014 106 V CB -0.212 31.748 31.823 0.229 0.000 0.645 106 V HN 0.570 nan 8.190 nan 0.000 0.447 107 L N 2.587 123.846 121.223 0.060 0.000 2.581 107 L HA 0.386 4.731 4.340 0.009 0.000 0.241 107 L C -2.286 174.611 176.870 0.044 0.000 1.265 107 L CA -1.194 53.659 54.840 0.022 0.000 0.954 107 L CB 0.693 42.698 42.059 -0.091 0.000 1.269 107 L HN 0.250 nan 8.230 nan 0.000 0.475 108 P HA 0.197 nan 4.420 nan 0.000 0.278 108 P C -0.223 177.107 177.300 0.050 0.000 1.258 108 P CA -0.680 62.450 63.100 0.051 0.000 0.811 108 P CB 1.206 32.938 31.700 0.055 0.000 1.063 109 R N 1.022 121.544 120.500 0.036 0.000 4.464 109 R HA 0.083 4.428 4.340 0.009 0.000 0.229 109 R C 0.624 176.946 176.300 0.036 0.000 1.916 109 R CA 0.106 56.226 56.100 0.033 0.000 1.601 109 R CB -0.065 30.246 30.300 0.019 0.000 1.315 109 R HN 0.278 nan 8.270 nan 0.000 0.725 110 K N -0.297 120.131 120.400 0.046 0.000 2.481 110 K HA 0.066 4.391 4.320 0.009 0.000 0.210 110 K C 0.486 177.108 176.600 0.037 0.000 1.161 110 K CA 0.019 56.329 56.287 0.039 0.000 1.023 110 K CB 0.828 33.350 32.500 0.036 0.000 0.971 110 K HN 0.135 nan 8.250 nan 0.000 0.577 111 L N 0.897 122.156 121.223 0.060 0.000 2.966 111 L HA 0.263 4.608 4.340 0.009 0.000 0.262 111 L C -0.141 176.779 176.870 0.084 0.000 1.165 111 L CA 0.309 55.172 54.840 0.039 0.000 0.978 111 L CB 0.634 42.716 42.059 0.038 0.000 1.337 111 L HN -0.024 nan 8.230 nan 0.000 0.563 112 Q N 0.543 120.417 119.800 0.123 0.000 2.325 112 Q HA 0.462 4.807 4.340 0.009 0.000 0.262 112 Q C -0.949 175.090 176.000 0.064 0.000 0.968 112 Q CA -0.367 55.518 55.803 0.137 0.000 0.877 112 Q CB 1.200 30.012 28.738 0.124 0.000 1.253 112 Q HN 0.323 nan 8.270 nan 0.000 0.448 113 T N 2.439 117.026 114.554 0.055 0.000 2.811 113 T HA 0.452 4.807 4.350 0.009 0.000 0.309 113 T C 0.043 174.751 174.700 0.014 0.000 1.005 113 T CA -0.860 61.256 62.100 0.026 0.000 0.955 113 T CB 0.556 69.435 68.868 0.018 0.000 0.970 113 T HN 0.512 nan 8.240 nan 0.000 0.496 114 R N 3.338 123.839 120.500 0.002 0.000 2.905 114 R HA 0.261 4.606 4.340 0.009 0.000 0.273 114 R C -2.027 174.262 176.300 -0.019 0.000 1.033 114 R CA -1.307 54.784 56.100 -0.015 0.000 1.182 114 R CB -0.147 30.145 30.300 -0.015 0.000 1.097 114 R HN 0.449 nan 8.270 nan 0.000 0.504 115 P HA 0.114 nan 4.420 nan 0.000 0.280 115 P C -1.263 176.025 177.300 -0.020 0.000 1.244 115 P CA -0.367 62.717 63.100 -0.026 0.000 0.784 115 P CB 1.283 32.961 31.700 -0.038 0.000 0.913 116 S N 3.411 119.100 115.700 -0.017 0.000 2.642 116 S HA 0.242 4.717 4.470 0.009 0.000 0.309 116 S C -1.031 173.562 174.600 -0.013 0.000 1.125 116 S CA -1.014 57.177 58.200 -0.015 0.000 1.055 116 S CB 0.056 63.245 63.200 -0.019 0.000 1.157 116 S HN 0.399 nan 8.310 nan 0.000 0.513 117 P HA 0.084 nan 4.420 nan 0.000 0.223 117 P C 0.656 177.953 177.300 -0.004 0.000 1.151 117 P CA 0.646 63.742 63.100 -0.006 0.000 0.787 117 P CB -0.083 31.614 31.700 -0.005 0.000 0.788 118 G N 1.147 109.944 108.800 -0.005 0.000 2.482 118 G HA2 0.514 4.480 3.960 0.009 0.000 0.317 118 G HA3 0.514 4.480 3.960 0.009 0.000 0.317 118 G C -2.946 171.950 174.900 -0.006 0.000 1.241 118 G CA -1.502 43.596 45.100 -0.003 0.000 0.967 118 G HN -0.114 nan 8.290 nan 0.000 0.482 119 P HA 0.158 nan 4.420 nan 0.000 0.266 119 P C -2.519 174.778 177.300 -0.005 0.000 1.195 119 P CA -0.689 62.406 63.100 -0.009 0.000 0.768 119 P CB 0.258 31.956 31.700 -0.003 0.000 0.838 120 P HA 0.144 nan 4.420 nan 0.000 0.265 120 P C -2.259 175.047 177.300 0.009 0.000 1.193 120 P CA -0.603 62.497 63.100 0.000 0.000 0.765 120 P CB -1.003 30.696 31.700 -0.001 0.000 0.823 121 P HA -0.069 nan 4.420 nan 0.000 0.260 121 P C 0.700 178.010 177.300 0.018 0.000 1.185 121 P CA 0.489 63.596 63.100 0.012 0.000 0.763 121 P CB 0.326 32.032 31.700 0.011 0.000 0.776 122 A N 4.433 127.264 122.820 0.018 0.000 1.971 122 A HA -0.303 4.023 4.320 0.009 0.000 0.222 122 A C 1.913 179.509 177.584 0.020 0.000 1.182 122 A CA 2.041 54.092 52.037 0.022 0.000 0.649 122 A CB -0.860 18.151 19.000 0.019 0.000 0.818 122 A HN 0.524 nan 8.150 nan 0.000 0.458 123 E N -0.874 119.335 120.200 0.015 0.000 2.072 123 E HA -0.170 4.185 4.350 0.009 0.000 0.190 123 E C 2.244 178.854 176.600 0.016 0.000 0.982 123 E CA 1.251 57.658 56.400 0.012 0.000 0.803 123 E CB -0.279 29.427 29.700 0.009 0.000 0.755 123 E HN 0.761 nan 8.360 nan 0.000 0.453 124 Q N 0.499 120.310 119.800 0.020 0.000 2.079 124 Q HA -0.143 4.202 4.340 0.009 0.000 0.200 124 Q C 2.240 178.261 176.000 0.035 0.000 0.974 124 Q CA 1.039 56.856 55.803 0.024 0.000 0.840 124 Q CB -0.132 28.618 28.738 0.021 0.000 0.898 124 Q HN 0.403 nan 8.270 nan 0.000 0.430 125 L N 0.360 121.607 121.223 0.041 0.000 2.056 125 L HA -0.168 4.178 4.340 0.009 0.000 0.207 125 L C 2.359 179.273 176.870 0.073 0.000 1.078 125 L CA 0.694 55.575 54.840 0.068 0.000 0.749 125 L CB -0.254 41.850 42.059 0.075 0.000 0.901 125 L HN 0.262 nan 8.230 nan 0.000 0.433 126 L N -0.208 121.037 121.223 0.036 0.000 2.083 126 L HA -0.186 4.159 4.340 0.009 0.000 0.209 126 L C 2.839 179.710 176.870 0.002 0.000 1.083 126 L CA 2.122 56.959 54.840 -0.005 0.000 0.752 126 L CB -0.682 41.367 42.059 -0.016 0.000 0.899 126 L HN 0.567 nan 8.230 nan 0.000 0.433 127 S N -1.950 113.763 115.700 0.022 0.000 2.402 127 S HA -0.208 4.267 4.470 0.009 0.000 0.229 127 S C 1.839 176.474 174.600 0.059 0.000 1.021 127 S CA 0.927 59.146 58.200 0.031 0.000 0.974 127 S CB -0.485 62.732 63.200 0.028 0.000 0.800 127 S HN 0.615 nan 8.310 nan 0.000 0.484 128 Q N 0.956 120.803 119.800 0.077 0.000 2.123 128 Q HA 0.141 4.486 4.340 0.009 0.000 0.199 128 Q C 2.598 178.705 176.000 0.177 0.000 0.966 128 Q CA 1.201 57.074 55.803 0.116 0.000 0.845 128 Q CB -0.458 28.343 28.738 0.105 0.000 0.907 128 Q HN 0.768 nan 8.270 nan 0.000 0.439 129 A N 1.382 124.289 122.820 0.145 0.000 1.873 129 A HA -0.181 4.144 4.320 0.009 0.000 0.215 129 A C 2.004 179.650 177.584 0.103 0.000 1.186 129 A CA 1.173 53.281 52.037 0.117 0.000 0.616 129 A CB -0.344 18.502 19.000 -0.256 0.000 0.823 129 A HN 0.191 nan 8.150 nan 0.000 0.442 130 R N -0.595 119.932 120.500 0.044 0.000 2.081 130 R HA -0.161 4.185 4.340 0.009 0.000 0.235 130 R C 2.006 178.374 176.300 0.113 0.000 1.131 130 R CA 1.637 57.767 56.100 0.050 0.000 0.960 130 R CB -0.476 29.832 30.300 0.014 0.000 0.856 130 R HN 0.712 nan 8.270 nan 0.000 0.436 131 D N 0.105 120.584 120.400 0.132 0.000 2.117 131 D HA -0.203 4.442 4.640 0.009 0.000 0.197 131 D C 1.633 178.052 176.300 0.198 0.000 0.987 131 D CA 0.948 55.036 54.000 0.147 0.000 0.829 131 D CB -0.044 40.839 40.800 0.139 0.000 0.961 131 D HN 0.124 nan 8.370 nan 0.000 0.460 132 F N 0.798 120.839 119.950 0.152 0.000 2.146 132 F HA -0.073 4.459 4.527 0.008 0.000 0.298 132 F C 1.896 177.845 175.800 0.249 0.000 1.096 132 F CA 0.978 59.104 58.000 0.210 0.000 1.275 132 F CB -0.236 38.898 39.000 0.223 0.000 1.008 132 F HN -0.006 nan 8.300 nan 0.000 0.480 133 I N 0.905 121.464 120.570 -0.018 0.000 2.226 133 I HA -0.298 3.878 4.170 0.009 0.000 0.245 133 I C 1.950 178.127 176.117 0.099 0.000 1.100 133 I CA 1.191 62.508 61.300 0.029 0.000 1.374 133 I CB -1.690 36.441 38.000 0.218 0.000 1.057 133 I HN 0.209 nan 8.210 nan 0.000 0.413 134 N N 0.940 119.723 118.700 0.139 0.000 2.166 134 N HA -0.188 4.557 4.740 0.009 0.000 0.186 134 N C 1.844 177.301 175.510 -0.088 0.000 1.019 134 N CA 1.067 54.174 53.050 0.096 0.000 0.856 134 N CB -0.328 38.249 38.487 0.150 0.000 0.993 134 N HN 0.506 nan 8.380 nan 0.000 0.426 135 Q N -0.751 119.002 119.800 -0.079 0.000 2.079 135 Q HA -0.154 4.191 4.340 0.009 0.000 0.200 135 Q C 1.718 177.487 176.000 -0.385 0.000 0.974 135 Q CA 1.124 56.879 55.803 -0.080 0.000 0.840 135 Q CB -0.240 28.587 28.738 0.149 0.000 0.898 135 Q HN 0.444 nan 8.270 nan 0.000 0.430 136 Y N 0.159 120.014 120.300 -0.742 0.000 2.114 136 Y HA -0.294 4.260 4.550 0.007 0.000 0.284 136 Y C 1.725 177.095 175.900 -0.884 0.000 1.143 136 Y CA 1.614 59.020 58.100 -1.156 0.000 1.135 136 Y CB -0.523 37.322 38.460 -1.024 0.000 0.980 136 Y HN 0.082 nan 8.280 nan 0.000 0.499 137 Y N -0.412 119.459 120.300 -0.715 0.000 2.333 137 Y HA -0.182 4.374 4.550 0.010 0.000 0.290 137 Y C 2.734 178.278 175.900 -0.594 0.000 1.144 137 Y CA 1.601 59.271 58.100 -0.717 0.000 1.228 137 Y CB -0.455 37.512 38.460 -0.821 0.000 0.985 137 Y HN 0.098 nan 8.280 nan 0.000 0.542 138 S N -0.855 114.606 115.700 -0.398 0.000 2.387 138 S HA -0.165 4.310 4.470 0.009 0.000 0.226 138 S C 2.230 176.656 174.600 -0.291 0.000 1.026 138 S CA 1.191 59.231 58.200 -0.267 0.000 0.972 138 S CB -0.457 62.641 63.200 -0.170 0.000 0.814 138 S HN 0.625 nan 8.310 nan 0.000 0.477 139 S N 2.381 117.817 115.700 -0.439 0.000 2.423 139 S HA -0.012 4.464 4.470 0.009 0.000 0.231 139 S C 1.660 176.038 174.600 -0.370 0.000 1.014 139 S CA 0.879 58.860 58.200 -0.365 0.000 0.965 139 S CB -0.770 62.140 63.200 -0.484 0.000 0.785 139 S HN 0.731 nan 8.310 nan 0.000 0.495 140 I N -3.239 117.014 120.570 -0.527 0.000 3.883 140 I HA 0.375 4.550 4.170 0.009 0.000 0.326 140 I C -0.188 175.780 176.117 -0.249 0.000 1.283 140 I CA -0.360 60.696 61.300 -0.406 0.000 1.161 140 I CB -0.067 37.594 38.000 -0.565 0.000 1.012 140 I HN -0.102 nan 8.210 nan 0.000 0.421 141 K N 1.863 122.131 120.400 -0.221 0.000 3.192 141 K HA -0.128 4.198 4.320 0.009 0.000 0.278 141 K C -0.132 176.410 176.600 -0.097 0.000 1.164 141 K CA 0.492 56.698 56.287 -0.135 0.000 0.816 141 K CB -1.805 30.638 32.500 -0.096 0.000 1.256 141 K HN 0.535 nan 8.250 nan 0.000 0.497 142 R N -0.334 120.108 120.500 -0.096 0.000 2.700 142 R HA 0.123 4.469 4.340 0.009 0.000 0.399 142 R C 0.221 176.511 176.300 -0.018 0.000 1.115 142 R CA -0.293 55.800 56.100 -0.011 0.000 1.058 142 R CB 0.820 31.172 30.300 0.088 0.000 1.389 142 R HN 0.165 nan 8.270 nan 0.000 0.582 143 S N -0.157 115.498 115.700 -0.076 0.000 2.549 143 S HA 0.310 4.785 4.470 0.009 0.000 0.283 143 S C 1.365 176.014 174.600 0.082 0.000 1.320 143 S CA 1.282 59.437 58.200 -0.076 0.000 1.058 143 S CB 0.442 63.596 63.200 -0.075 0.000 0.882 143 S HN 0.751 nan 8.310 nan 0.000 0.498 144 G N 3.055 112.048 108.800 0.321 0.000 2.184 144 G HA2 -0.303 3.663 3.960 0.009 0.000 0.264 144 G HA3 -0.303 3.663 3.960 0.009 0.000 0.264 144 G C 0.350 175.275 174.900 0.042 0.000 0.975 144 G CA 0.640 45.820 45.100 0.133 0.000 0.642 144 G HN 1.569 nan 8.290 nan 0.000 0.536 145 S N -0.105 115.625 115.700 0.050 0.000 2.626 145 S HA 0.441 4.916 4.470 0.009 0.000 0.257 145 S C 1.787 176.359 174.600 -0.046 0.000 1.288 145 S CA 0.698 58.897 58.200 -0.002 0.000 0.980 145 S CB 1.097 64.303 63.200 0.010 0.000 0.975 145 S HN 0.850 nan 8.310 nan 0.000 0.577 146 Q N 0.890 120.666 119.800 -0.040 0.000 2.046 146 Q HA -0.064 4.281 4.340 0.009 0.000 0.200 146 Q C 2.199 178.155 176.000 -0.073 0.000 0.975 146 Q CA 2.063 57.835 55.803 -0.051 0.000 0.836 146 Q CB -1.553 27.170 28.738 -0.025 0.000 0.896 146 Q HN 0.878 nan 8.270 nan 0.000 0.428 147 A N 1.316 124.104 122.820 -0.053 0.000 1.972 147 A HA -0.216 4.109 4.320 0.009 0.000 0.219 147 A C 2.131 179.529 177.584 -0.309 0.000 1.169 147 A CA 1.513 53.522 52.037 -0.047 0.000 0.635 147 A CB -1.086 17.986 19.000 0.121 0.000 0.810 147 A HN 0.716 nan 8.150 nan 0.000 0.446 148 H N -0.673 117.977 119.070 -0.700 0.000 2.299 148 H HA -0.100 4.461 4.556 0.009 0.000 0.302 148 H C 1.784 176.800 175.328 -0.520 0.000 1.078 148 H CA 1.249 56.628 56.048 -1.115 0.000 1.323 148 H CB 0.130 29.444 29.762 -0.746 0.000 1.381 148 H HN 0.386 nan 8.280 nan 0.000 0.498 149 E N 0.683 120.664 120.200 -0.365 0.000 2.204 149 E HA -0.145 4.210 4.350 0.009 0.000 0.195 149 E C 2.028 178.512 176.600 -0.193 0.000 0.990 149 E CA 0.787 57.000 56.400 -0.312 0.000 0.821 149 E CB -0.068 29.502 29.700 -0.216 0.000 0.750 149 E HN 0.677 nan 8.360 nan 0.000 0.477 150 E N 0.353 120.465 120.200 -0.147 0.000 2.046 150 E HA -0.144 4.212 4.350 0.009 0.000 0.190 150 E C 2.164 178.735 176.600 -0.048 0.000 0.982 150 E CA 0.749 57.104 56.400 -0.074 0.000 0.800 150 E CB -0.007 29.671 29.700 -0.036 0.000 0.756 150 E HN -0.083 nan 8.360 nan 0.000 0.449 151 R N 1.120 121.594 120.500 -0.043 0.000 2.081 151 R HA -0.100 4.245 4.340 0.009 0.000 0.235 151 R C 2.069 178.376 176.300 0.013 0.000 1.131 151 R CA 1.188 57.319 56.100 0.051 0.000 0.960 151 R CB -0.574 29.849 30.300 0.205 0.000 0.856 151 R HN 0.159 nan 8.270 nan 0.000 0.436 152 L N 0.038 121.223 121.223 -0.062 0.000 2.046 152 L HA -0.222 4.124 4.340 0.009 0.000 0.208 152 L C 2.557 179.378 176.870 -0.082 0.000 1.077 152 L CA 1.721 56.508 54.840 -0.088 0.000 0.747 152 L CB -0.431 41.520 42.059 -0.180 0.000 0.896 152 L HN 0.352 nan 8.230 nan 0.000 0.432 153 Q N -0.569 119.184 119.800 -0.077 0.000 2.119 153 Q HA -0.258 4.087 4.340 0.009 0.000 0.201 153 Q C 2.121 178.103 176.000 -0.029 0.000 0.972 153 Q CA 1.500 57.270 55.803 -0.055 0.000 0.847 153 Q CB -0.081 28.627 28.738 -0.050 0.000 0.903 153 Q HN 0.477 nan 8.270 nan 0.000 0.433 154 E N 0.160 120.353 120.200 -0.011 0.000 2.110 154 E HA -0.165 4.190 4.350 0.009 0.000 0.193 154 E C 1.896 178.508 176.600 0.020 0.000 0.988 154 E CA 0.987 57.399 56.400 0.020 0.000 0.804 154 E CB 0.250 29.979 29.700 0.048 0.000 0.745 154 E HN 0.135 nan 8.360 nan 0.000 0.458 155 V N 2.193 122.091 119.914 -0.027 0.000 2.323 155 V HA -0.231 3.894 4.120 0.009 0.000 0.244 155 V C 2.234 178.262 176.094 -0.110 0.000 1.041 155 V CA 2.163 64.392 62.300 -0.118 0.000 1.025 155 V CB -0.576 31.053 31.823 -0.322 0.000 0.656 155 V HN 0.418 nan 8.190 nan 0.000 0.451 156 E N 1.250 121.396 120.200 -0.090 0.000 2.268 156 E HA -0.123 4.232 4.350 0.009 0.000 0.195 156 E C 2.082 178.672 176.600 -0.017 0.000 0.995 156 E CA 1.253 57.619 56.400 -0.058 0.000 0.836 156 E CB -0.295 29.372 29.700 -0.055 0.000 0.763 156 E HN 0.545 nan 8.360 nan 0.000 0.491 157 A N 2.062 124.880 122.820 -0.004 0.000 1.872 157 A HA -0.162 4.163 4.320 0.009 0.000 0.214 157 A C 2.052 179.660 177.584 0.040 0.000 1.187 157 A CA 1.180 53.227 52.037 0.017 0.000 0.614 157 A CB -0.274 18.738 19.000 0.020 0.000 0.826 157 A HN 0.194 nan 8.150 nan 0.000 0.442 158 E N -0.216 120.022 120.200 0.062 0.000 2.031 158 E HA -0.128 4.228 4.350 0.009 0.000 0.193 158 E C 2.007 178.665 176.600 0.096 0.000 0.994 158 E CA 1.397 57.860 56.400 0.106 0.000 0.800 158 E CB -0.300 29.508 29.700 0.179 0.000 0.752 158 E HN 0.355 nan 8.360 nan 0.000 0.447 159 V N 1.570 121.533 119.914 0.082 0.000 2.392 159 V HA -0.297 3.829 4.120 0.009 0.000 0.249 159 V C 2.321 178.443 176.094 0.046 0.000 1.059 159 V CA 1.794 64.136 62.300 0.071 0.000 1.051 159 V CB -0.791 31.058 31.823 0.045 0.000 0.658 159 V HN 0.308 nan 8.190 nan 0.000 0.455 160 A N 0.807 123.646 122.820 0.032 0.000 1.858 160 A HA -0.221 4.104 4.320 0.009 0.000 0.216 160 A C 2.549 180.151 177.584 0.031 0.000 1.190 160 A CA 2.626 54.678 52.037 0.025 0.000 0.617 160 A CB -0.745 18.265 19.000 0.016 0.000 0.827 160 A HN 0.681 nan 8.150 nan 0.000 0.443 161 S N -0.982 114.741 115.700 0.039 0.000 2.371 161 S HA -0.108 4.368 4.470 0.009 0.000 0.221 161 S C 1.959 176.587 174.600 0.047 0.000 1.036 161 S CA 1.704 59.928 58.200 0.040 0.000 0.965 161 S CB -1.082 62.142 63.200 0.042 0.000 0.845 161 S HN 0.768 nan 8.310 nan 0.000 0.475 162 T N -2.706 111.885 114.554 0.062 0.000 3.044 162 T HA 0.479 4.834 4.350 0.009 0.000 0.255 162 T C 1.748 176.482 174.700 0.056 0.000 1.073 162 T CA 0.960 63.100 62.100 0.068 0.000 1.125 162 T CB -0.295 68.633 68.868 0.101 0.000 0.908 162 T HN 1.259 nan 8.240 nan 0.000 0.480 163 G N 0.180 109.013 108.800 0.055 0.000 2.176 163 G HA2 -0.161 3.805 3.960 0.009 0.000 0.232 163 G HA3 -0.161 3.805 3.960 0.009 0.000 0.232 163 G C 0.209 175.136 174.900 0.045 0.000 0.986 163 G CA 0.489 45.615 45.100 0.043 0.000 0.643 163 G HN 1.006 nan 8.290 nan 0.000 0.522 164 T N -1.270 113.317 114.554 0.055 0.000 2.681 164 T HA 0.739 5.095 4.350 0.009 0.000 0.296 164 T C -1.100 173.658 174.700 0.097 0.000 1.157 164 T CA 0.422 62.538 62.100 0.026 0.000 1.025 164 T CB 1.595 70.395 68.868 -0.113 0.000 1.441 164 T HN 1.550 nan 8.240 nan 0.000 0.504 165 Y N -0.824 119.350 120.300 -0.210 0.000 2.728 165 Y HA 0.816 5.371 4.550 0.009 0.000 0.330 165 Y C -1.219 174.418 175.900 -0.438 0.000 1.234 165 Y CA -1.162 56.846 58.100 -0.154 0.000 1.070 165 Y CB 0.995 39.446 38.460 -0.014 0.000 1.300 165 Y HN 0.708 nan 8.280 nan 0.000 0.467 166 H N 1.068 120.169 119.070 0.052 0.000 2.851 166 H HA 0.526 5.087 4.556 0.009 0.000 0.372 166 H C -1.144 174.247 175.328 0.104 0.000 1.158 166 H CA -0.824 55.198 56.048 -0.043 0.000 1.159 166 H CB 2.580 32.355 29.762 0.020 0.000 1.757 166 H HN 0.619 nan 8.280 nan 0.000 0.546 167 L N 2.063 123.382 121.223 0.161 0.000 2.418 167 L HA 0.369 4.714 4.340 0.009 0.000 0.265 167 L C 1.025 177.978 176.870 0.138 0.000 1.143 167 L CA -0.631 54.323 54.840 0.191 0.000 0.809 167 L CB 0.619 42.766 42.059 0.147 0.000 1.124 167 L HN 0.336 nan 8.230 nan 0.000 0.456 168 R N 1.029 121.581 120.500 0.087 0.000 2.560 168 R HA 0.062 4.407 4.340 0.009 0.000 0.270 168 R C 1.034 177.330 176.300 -0.006 0.000 1.074 168 R CA -0.505 55.613 56.100 0.030 0.000 1.140 168 R CB 0.957 31.248 30.300 -0.015 0.000 1.073 168 R HN 0.693 nan 8.270 nan 0.000 0.527 169 E N 1.233 121.430 120.200 -0.005 0.000 2.065 169 E HA -0.272 4.083 4.350 0.009 0.000 0.201 169 E C 1.450 178.034 176.600 -0.025 0.000 1.016 169 E CA 2.510 58.901 56.400 -0.015 0.000 0.818 169 E CB 0.058 29.754 29.700 -0.006 0.000 0.749 169 E HN 0.673 nan 8.360 nan 0.000 0.453 170 S N -0.098 115.581 115.700 -0.034 0.000 2.423 170 S HA -0.126 4.349 4.470 0.009 0.000 0.231 170 S C 1.689 176.259 174.600 -0.051 0.000 1.014 170 S CA 1.120 59.318 58.200 -0.004 0.000 0.965 170 S CB -0.209 63.021 63.200 0.049 0.000 0.785 170 S HN 0.336 nan 8.310 nan 0.000 0.495 171 E N 0.715 120.770 120.200 -0.242 0.000 2.152 171 E HA 0.003 4.358 4.350 0.009 0.000 0.192 171 E C 1.944 178.668 176.600 0.206 0.000 0.983 171 E CA 0.879 57.166 56.400 -0.189 0.000 0.818 171 E CB -0.259 29.329 29.700 -0.186 0.000 0.758 171 E HN 0.439 nan 8.360 nan 0.000 0.467 172 L N 0.673 121.926 121.223 0.050 0.000 2.072 172 L HA -0.113 4.233 4.340 0.009 0.000 0.205 172 L C 2.154 179.001 176.870 -0.039 0.000 1.079 172 L CA 1.210 56.019 54.840 -0.052 0.000 0.752 172 L CB -0.155 41.822 42.059 -0.137 0.000 0.906 172 L HN -0.084 nan 8.230 nan 0.000 0.436 173 V N -0.381 119.545 119.914 0.019 0.000 2.343 173 V HA -0.301 3.825 4.120 0.009 0.000 0.247 173 V C 2.320 178.492 176.094 0.129 0.000 1.051 173 V CA 2.141 64.463 62.300 0.036 0.000 1.036 173 V CB -0.921 30.931 31.823 0.048 0.000 0.654 173 V HN 0.573 nan 8.190 nan 0.000 0.451 174 F N 2.088 122.109 119.950 0.119 0.000 2.113 174 F HA -0.002 4.530 4.527 0.007 0.000 0.297 174 F C 2.197 178.125 175.800 0.214 0.000 1.103 174 F CA 1.779 59.906 58.000 0.211 0.000 1.248 174 F CB -0.951 38.247 39.000 0.329 0.000 0.999 174 F HN 0.120 nan 8.300 nan 0.000 0.475 175 G N -0.150 108.685 108.800 0.059 0.000 2.422 175 G HA2 -0.212 3.753 3.960 0.009 0.000 0.218 175 G HA3 -0.212 3.753 3.960 0.009 0.000 0.218 175 G C 1.802 176.531 174.900 -0.284 0.000 1.146 175 G CA 0.821 45.835 45.100 -0.142 0.000 0.769 175 G HN 0.649 nan 8.290 nan 0.000 0.547 176 A N 0.711 123.404 122.820 -0.211 0.000 1.933 176 A HA 0.023 4.349 4.320 0.009 0.000 0.218 176 A C 2.299 179.848 177.584 -0.059 0.000 1.175 176 A CA 1.872 53.791 52.037 -0.197 0.000 0.628 176 A CB -0.295 18.622 19.000 -0.137 0.000 0.814 176 A HN 0.376 nan 8.150 nan 0.000 0.444 177 K N -1.160 119.245 120.400 0.009 0.000 2.155 177 K HA -0.121 4.204 4.320 0.009 0.000 0.203 177 K C 2.261 178.903 176.600 0.069 0.000 1.052 177 K CA 1.366 57.771 56.287 0.197 0.000 0.948 177 K CB -0.051 32.617 32.500 0.280 0.000 0.728 177 K HN 0.446 nan 8.250 nan 0.000 0.448 178 Q N 0.622 120.273 119.800 -0.247 0.000 2.230 178 Q HA 0.006 4.351 4.340 0.009 0.000 0.202 178 Q C 1.730 177.555 176.000 -0.292 0.000 0.963 178 Q CA 1.261 56.819 55.803 -0.408 0.000 0.866 178 Q CB -0.002 28.355 28.738 -0.635 0.000 0.931 178 Q HN 0.301 nan 8.270 nan 0.000 0.452 179 A N -0.652 121.996 122.820 -0.286 0.000 1.930 179 A HA -0.152 4.173 4.320 0.009 0.000 0.217 179 A C 1.768 179.328 177.584 -0.040 0.000 1.175 179 A CA 1.282 53.093 52.037 -0.377 0.000 0.627 179 A CB -1.046 17.375 19.000 -0.964 0.000 0.815 179 A HN 0.695 nan 8.150 nan 0.000 0.443 180 W N 1.028 122.296 121.300 -0.052 0.000 2.409 180 W HA -0.068 4.596 4.660 0.007 0.000 0.299 180 W C 2.274 178.761 176.519 -0.052 0.000 1.203 180 W CA 1.361 58.744 57.345 0.064 0.000 1.298 180 W CB -0.625 28.886 29.460 0.085 0.000 1.127 180 W HN 0.351 nan 8.180 nan 0.000 0.528 181 R N 0.354 120.788 120.500 -0.110 0.000 2.105 181 R HA -0.181 4.165 4.340 0.009 0.000 0.239 181 R C 1.538 177.685 176.300 -0.255 0.000 1.135 181 R CA 1.830 57.656 56.100 -0.457 0.000 0.967 181 R CB -0.540 29.188 30.300 -0.954 0.000 0.861 181 R HN 0.056 nan 8.270 nan 0.000 0.442 182 N N 0.294 118.886 118.700 -0.180 0.000 2.467 182 N HA 0.025 4.771 4.740 0.009 0.000 0.184 182 N C -0.424 175.037 175.510 -0.082 0.000 1.106 182 N CA 0.624 53.592 53.050 -0.137 0.000 0.892 182 N CB 0.410 38.812 38.487 -0.142 0.000 0.969 182 N HN 0.179 nan 8.380 nan 0.000 0.454 183 A N 1.766 124.587 122.820 0.002 0.000 2.444 183 A HA 0.247 4.572 4.320 0.009 0.000 0.287 183 A C -1.289 176.278 177.584 -0.029 0.000 1.195 183 A CA -0.927 51.114 52.037 0.007 0.000 0.858 183 A CB 0.357 19.414 19.000 0.095 0.000 1.117 183 A HN 0.019 nan 8.150 nan 0.000 0.521 184 P HA -0.095 nan 4.420 nan 0.000 0.220 184 P C 1.070 178.312 177.300 -0.097 0.000 1.148 184 P CA 1.075 64.114 63.100 -0.102 0.000 0.803 184 P CB 0.173 31.776 31.700 -0.162 0.000 0.782 185 R N -2.029 118.368 120.500 -0.171 0.000 2.310 185 R HA 0.145 4.491 4.340 0.009 0.000 0.202 185 R C 0.246 176.544 176.300 -0.004 0.000 0.933 185 R CA -0.120 55.887 56.100 -0.156 0.000 1.054 185 R CB -0.501 29.454 30.300 -0.575 0.000 0.985 185 R HN 0.187 nan 8.270 nan 0.000 0.489 186 C N 0.467 119.758 119.300 -0.016 0.000 2.285 186 C HA 0.243 4.708 4.460 0.009 0.000 0.335 186 C C 1.813 176.762 174.990 -0.068 0.000 1.267 186 C CA -0.656 58.379 59.018 0.028 0.000 1.762 186 C CB 0.769 28.593 27.740 0.140 0.000 2.365 186 C HN 0.283 nan 8.230 nan 0.000 0.527 187 V N 5.886 125.719 119.914 -0.134 0.000 3.506 187 V HA 0.242 4.368 4.120 0.009 0.000 0.263 187 V C 1.753 177.847 176.094 0.001 0.000 1.203 187 V CA 1.885 63.990 62.300 -0.325 0.000 1.133 187 V CB -0.009 31.631 31.823 -0.305 0.000 0.802 187 V HN 1.073 nan 8.190 nan 0.000 0.459 188 G N -0.402 108.445 108.800 0.079 0.000 3.314 188 G HA2 0.024 3.989 3.960 0.009 0.000 0.238 188 G HA3 0.024 3.989 3.960 0.009 0.000 0.238 188 G C 1.170 176.140 174.900 0.116 0.000 1.184 188 G CA -0.311 44.858 45.100 0.116 0.000 0.806 188 G HN 0.448 nan 8.290 nan 0.000 0.536 189 R N -0.124 120.376 120.500 -0.001 0.000 2.341 189 R HA 0.122 4.467 4.340 0.009 0.000 0.213 189 R C 2.017 177.933 176.300 -0.640 0.000 1.082 189 R CA 0.184 56.011 56.100 -0.455 0.000 1.017 189 R CB -0.196 29.785 30.300 -0.532 0.000 0.860 189 R HN 0.457 nan 8.270 nan 0.000 0.473 190 I N 0.588 120.963 120.570 -0.324 0.000 2.916 190 I HA -0.223 3.952 4.170 0.009 0.000 0.267 190 I C 0.951 176.989 176.117 -0.133 0.000 1.263 190 I CA 1.216 62.457 61.300 -0.099 0.000 1.471 190 I CB 0.163 38.203 38.000 0.068 0.000 1.089 190 I HN 0.256 nan 8.210 nan 0.000 0.468 191 Q N 0.353 120.014 119.800 -0.232 0.000 2.319 191 Q HA -0.060 4.285 4.340 0.009 0.000 0.202 191 Q C 1.564 177.141 176.000 -0.706 0.000 0.896 191 Q CA 0.099 55.751 55.803 -0.252 0.000 0.942 191 Q CB -0.076 28.680 28.738 0.031 0.000 1.083 191 Q HN 0.770 nan 8.270 nan 0.000 0.510 192 W N 0.218 120.824 121.300 -1.157 0.000 2.313 192 W HA -0.149 4.518 4.660 0.012 0.000 0.293 192 W C 1.079 177.263 176.519 -0.557 0.000 1.216 192 W CA 1.302 57.787 57.345 -1.433 0.000 1.223 192 W CB -1.144 27.663 29.460 -1.088 0.000 1.138 192 W HN 0.067 nan 8.180 nan 0.000 0.535 193 G N 1.120 109.107 108.800 -1.355 0.000 2.572 193 G HA2 -0.184 3.781 3.960 0.009 0.000 0.216 193 G HA3 -0.184 3.781 3.960 0.009 0.000 0.216 193 G C 0.898 175.540 174.900 -0.429 0.000 1.133 193 G CA 0.081 44.518 45.100 -1.105 0.000 0.791 193 G HN 0.230 nan 8.290 nan 0.000 0.538 194 K N 0.339 120.587 120.400 -0.252 0.000 2.356 194 K HA 0.480 4.805 4.320 0.009 0.000 0.243 194 K C -1.619 175.071 176.600 0.151 0.000 1.072 194 K CA -0.620 55.648 56.287 -0.031 0.000 1.014 194 K CB 0.253 32.766 32.500 0.022 0.000 1.523 194 K HN 0.101 nan 8.250 nan 0.000 0.455 195 L N 2.950 124.251 121.223 0.131 0.000 2.438 195 L HA 0.318 4.663 4.340 0.009 0.000 0.270 195 L C -1.184 175.677 176.870 -0.015 0.000 0.972 195 L CA -0.426 54.517 54.840 0.172 0.000 0.831 195 L CB 1.957 44.207 42.059 0.320 0.000 1.273 195 L HN 0.395 nan 8.230 nan 0.000 0.405 196 Q N 3.546 123.274 119.800 -0.120 0.000 2.337 196 Q HA 0.447 4.792 4.340 0.009 0.000 0.255 196 Q C -1.572 174.053 176.000 -0.625 0.000 0.997 196 Q CA -0.096 55.454 55.803 -0.422 0.000 0.925 196 Q CB 1.026 29.413 28.738 -0.585 0.000 1.212 196 Q HN 0.527 nan 8.270 nan 0.000 0.436 197 V N 6.577 126.180 119.914 -0.517 0.000 2.334 197 V HA 0.326 4.451 4.120 0.009 0.000 0.267 197 V C -0.613 175.184 176.094 -0.494 0.000 1.040 197 V CA -0.472 61.575 62.300 -0.422 0.000 0.866 197 V CB -0.119 31.575 31.823 -0.215 0.000 1.019 197 V HN 0.622 nan 8.190 nan 0.000 0.468 198 F N 2.860 122.671 119.950 -0.232 0.000 2.404 198 F HA 0.331 4.861 4.527 0.004 0.000 0.358 198 F C 0.694 176.313 175.800 -0.303 0.000 1.120 198 F CA -0.952 56.898 58.000 -0.250 0.000 1.144 198 F CB 0.650 39.498 39.000 -0.253 0.000 1.133 198 F HN 0.394 nan 8.300 nan 0.000 0.495 199 D N 3.147 123.501 120.400 -0.077 0.000 2.336 199 D HA 0.364 5.010 4.640 0.009 0.000 0.249 199 D C 0.094 176.218 176.300 -0.293 0.000 1.213 199 D CA 0.187 54.082 54.000 -0.176 0.000 0.870 199 D CB 1.300 42.041 40.800 -0.097 0.000 1.076 199 D HN 0.651 nan 8.370 nan 0.000 0.483 200 A N 4.625 127.127 122.820 -0.531 0.000 2.637 200 A HA 0.144 4.470 4.320 0.009 0.000 0.293 200 A C 1.421 178.766 177.584 -0.399 0.000 1.216 200 A CA -0.387 51.133 52.037 -0.862 0.000 0.956 200 A CB 0.103 18.101 19.000 -1.670 0.000 1.174 200 A HN 0.534 nan 8.150 nan 0.000 0.525 201 R N 0.657 121.039 120.500 -0.197 0.000 2.339 201 R HA -0.055 4.290 4.340 0.009 0.000 0.199 201 R C 0.588 176.882 176.300 -0.009 0.000 1.018 201 R CA 1.098 57.163 56.100 -0.058 0.000 1.036 201 R CB 0.089 30.406 30.300 0.029 0.000 0.899 201 R HN 0.685 nan 8.270 nan 0.000 0.473 202 D N -0.967 119.439 120.400 0.010 0.000 2.392 202 D HA -0.062 4.583 4.640 0.009 0.000 0.206 202 D C 0.534 176.915 176.300 0.135 0.000 1.046 202 D CA -0.298 53.749 54.000 0.079 0.000 0.865 202 D CB -0.599 40.263 40.800 0.103 0.000 0.969 202 D HN -0.025 nan 8.370 nan 0.000 0.509 203 C N 2.250 121.641 119.300 0.152 0.000 2.538 203 C HA 0.229 4.694 4.460 0.009 0.000 0.408 203 C C 1.776 176.911 174.990 0.242 0.000 1.421 203 C CA 0.840 60.003 59.018 0.243 0.000 1.642 203 C CB -0.770 27.130 27.740 0.267 0.000 2.553 203 C HN 0.468 nan 8.230 nan 0.000 0.604 204 S N 2.568 118.448 115.700 0.299 0.000 2.666 204 S HA 0.279 4.754 4.470 0.009 0.000 0.239 204 S C 0.097 174.875 174.600 0.295 0.000 1.031 204 S CA 0.253 58.653 58.200 0.333 0.000 1.015 204 S CB -0.098 63.221 63.200 0.198 0.000 0.981 204 S HN 1.211 nan 8.310 nan 0.000 0.547 205 S N -0.221 115.650 115.700 0.285 0.000 2.607 205 S HA 0.819 5.295 4.470 0.009 0.000 0.273 205 S C 0.800 175.504 174.600 0.172 0.000 1.148 205 S CA -0.308 58.001 58.200 0.182 0.000 0.833 205 S CB 1.077 64.351 63.200 0.124 0.000 1.130 205 S HN 0.371 nan 8.310 nan 0.000 0.470 206 A N 0.685 123.570 122.820 0.108 0.000 1.972 206 A HA -0.079 4.246 4.320 0.009 0.000 0.219 206 A C 2.109 179.659 177.584 -0.057 0.000 1.169 206 A CA 2.172 54.252 52.037 0.071 0.000 0.635 206 A CB -1.167 17.928 19.000 0.159 0.000 0.810 206 A HN 0.898 nan 8.150 nan 0.000 0.446 207 Q N 0.105 119.945 119.800 0.068 0.000 2.119 207 Q HA -0.162 4.183 4.340 0.009 0.000 0.201 207 Q C 1.884 177.864 176.000 -0.034 0.000 0.972 207 Q CA 2.184 57.988 55.803 0.001 0.000 0.847 207 Q CB -0.340 28.500 28.738 0.170 0.000 0.903 207 Q HN 0.746 nan 8.270 nan 0.000 0.433 208 E N -0.809 119.417 120.200 0.043 0.000 2.150 208 E HA -0.151 4.204 4.350 0.009 0.000 0.193 208 E C 1.850 178.543 176.600 0.155 0.000 0.985 208 E CA 1.033 57.476 56.400 0.071 0.000 0.814 208 E CB -0.056 29.730 29.700 0.142 0.000 0.752 208 E HN 0.464 nan 8.360 nan 0.000 0.466 209 M N -0.191 119.474 119.600 0.108 0.000 2.108 209 M HA -0.154 4.331 4.480 0.009 0.000 0.261 209 M C 2.095 178.456 176.300 0.101 0.000 1.066 209 M CA 1.195 56.531 55.300 0.061 0.000 1.107 209 M CB -0.317 32.101 32.600 -0.303 0.000 1.356 209 M HN 0.179 nan 8.290 nan 0.000 0.406 210 F N 1.280 121.036 119.950 -0.324 0.000 2.134 210 F HA -0.180 4.354 4.527 0.011 0.000 0.299 210 F C 2.345 178.046 175.800 -0.166 0.000 1.097 210 F CA 1.768 59.532 58.000 -0.393 0.000 1.264 210 F CB -0.796 37.681 39.000 -0.872 0.000 1.001 210 F HN 0.042 nan 8.300 nan 0.000 0.479 211 T N -0.486 113.939 114.554 -0.216 0.000 2.708 211 T HA -0.233 4.123 4.350 0.009 0.000 0.266 211 T C 1.741 176.294 174.700 -0.244 0.000 1.037 211 T CA 1.839 63.758 62.100 -0.302 0.000 1.146 211 T CB -0.707 68.013 68.868 -0.247 0.000 0.865 211 T HN 0.245 nan 8.240 nan 0.000 0.435 212 Y N 1.035 121.286 120.300 -0.082 0.000 2.181 212 Y HA -0.012 4.543 4.550 0.007 0.000 0.288 212 Y C 2.218 178.077 175.900 -0.069 0.000 1.146 212 Y CA 0.357 58.421 58.100 -0.060 0.000 1.164 212 Y CB -0.588 37.936 38.460 0.106 0.000 0.982 212 Y HN 0.210 nan 8.280 nan 0.000 0.515 213 I N -1.798 118.864 120.570 0.154 0.000 2.315 213 I HA -0.336 3.839 4.170 0.009 0.000 0.248 213 I C 2.276 178.346 176.117 -0.079 0.000 1.117 213 I CA 0.937 62.269 61.300 0.053 0.000 1.404 213 I CB -0.477 37.562 38.000 0.064 0.000 1.071 213 I HN 0.236 nan 8.210 nan 0.000 0.419 214 C N 0.561 119.701 119.300 -0.266 0.000 2.440 214 C HA -0.100 4.366 4.460 0.009 0.000 0.278 214 C C 2.611 177.502 174.990 -0.165 0.000 1.295 214 C CA 0.694 59.530 59.018 -0.303 0.000 1.738 214 C CB -1.330 26.081 27.740 -0.549 0.000 1.987 214 C HN 0.535 nan 8.230 nan 0.000 0.492 215 N N -0.105 118.493 118.700 -0.169 0.000 2.188 215 N HA -0.118 4.628 4.740 0.009 0.000 0.184 215 N C 1.460 176.882 175.510 -0.147 0.000 1.018 215 N CA 1.233 54.176 53.050 -0.178 0.000 0.858 215 N CB -0.662 37.663 38.487 -0.270 0.000 0.989 215 N HN 0.745 nan 8.380 nan 0.000 0.426 216 H N 0.686 119.622 119.070 -0.223 0.000 2.293 216 H HA 0.049 4.612 4.556 0.011 0.000 0.300 216 H C 2.154 177.520 175.328 0.062 0.000 1.082 216 H CA 1.602 57.592 56.048 -0.096 0.000 1.308 216 H CB -0.038 29.713 29.762 -0.018 0.000 1.375 216 H HN 0.075 nan 8.280 nan 0.000 0.495 217 I N 0.674 121.396 120.570 0.253 0.000 2.208 217 I HA -0.284 3.891 4.170 0.009 0.000 0.245 217 I C 2.395 178.588 176.117 0.126 0.000 1.097 217 I CA 1.481 62.885 61.300 0.172 0.000 1.363 217 I CB -0.262 37.762 38.000 0.040 0.000 1.051 217 I HN 0.326 nan 8.210 nan 0.000 0.413 218 K N -0.096 120.347 120.400 0.072 0.000 2.026 218 K HA -0.232 4.094 4.320 0.009 0.000 0.208 218 K C 2.233 178.880 176.600 0.079 0.000 1.048 218 K CA 1.777 58.093 56.287 0.048 0.000 0.929 218 K CB -0.427 32.079 32.500 0.009 0.000 0.713 218 K HN 0.240 nan 8.250 nan 0.000 0.439 219 Y N 1.446 121.760 120.300 0.023 0.000 2.089 219 Y HA -0.274 4.278 4.550 0.003 0.000 0.282 219 Y C 2.303 178.265 175.900 0.102 0.000 1.139 219 Y CA 1.734 59.880 58.100 0.077 0.000 1.123 219 Y CB -0.432 38.126 38.460 0.163 0.000 0.980 219 Y HN 0.059 nan 8.280 nan 0.000 0.493 220 A N -0.761 122.227 122.820 0.280 0.000 1.940 220 A HA -0.198 4.128 4.320 0.009 0.000 0.219 220 A C 2.185 179.841 177.584 0.120 0.000 1.176 220 A CA 2.375 54.544 52.037 0.220 0.000 0.631 220 A CB -1.317 17.873 19.000 0.317 0.000 0.814 220 A HN 0.554 nan 8.150 nan 0.000 0.446 221 T N -0.428 114.187 114.554 0.103 0.000 2.812 221 T HA -0.080 4.276 4.350 0.009 0.000 0.264 221 T C 1.102 175.809 174.700 0.012 0.000 1.042 221 T CA 1.080 63.225 62.100 0.075 0.000 1.140 221 T CB -0.402 68.508 68.868 0.069 0.000 0.870 221 T HN 0.619 nan 8.240 nan 0.000 0.445 222 N N 1.307 119.984 118.700 -0.039 0.000 2.708 222 N HA -0.253 4.492 4.740 0.009 0.000 0.251 222 N C -0.438 175.041 175.510 -0.052 0.000 1.017 222 N CA 0.483 53.483 53.050 -0.084 0.000 0.742 222 N CB -1.313 37.082 38.487 -0.153 0.000 0.943 222 N HN 0.505 nan 8.380 nan 0.000 0.539 223 R N -2.399 118.084 120.500 -0.029 0.000 3.416 223 R HA -0.213 4.132 4.340 0.009 0.000 0.263 223 R C 1.314 177.594 176.300 -0.033 0.000 1.053 223 R CA 1.052 57.136 56.100 -0.028 0.000 0.705 223 R CB -2.015 28.265 30.300 -0.033 0.000 1.124 223 R HN 0.899 nan 8.270 nan 0.000 0.444 224 G N -0.358 108.430 108.800 -0.019 0.000 2.308 224 G HA2 -0.337 3.628 3.960 0.009 0.000 0.221 224 G HA3 -0.337 3.628 3.960 0.009 0.000 0.221 224 G C 0.057 174.939 174.900 -0.030 0.000 1.032 224 G CA 0.084 45.170 45.100 -0.022 0.000 0.623 224 G HN 0.390 nan 8.290 nan 0.000 0.506 225 N N 1.603 120.272 118.700 -0.052 0.000 3.188 225 N HA 0.465 5.210 4.740 0.009 0.000 0.279 225 N C 0.478 175.947 175.510 -0.069 0.000 1.213 225 N CA -0.384 52.615 53.050 -0.085 0.000 1.138 225 N CB -0.427 38.007 38.487 -0.088 0.000 1.417 225 N HN 0.299 nan 8.380 nan 0.000 0.526 226 L N 1.555 122.764 121.223 -0.024 0.000 2.529 226 L HA 0.048 4.394 4.340 0.009 0.000 0.287 226 L C 0.811 177.776 176.870 0.160 0.000 1.241 226 L CA 1.062 55.962 54.840 0.098 0.000 0.857 226 L CB 0.211 42.419 42.059 0.248 0.000 1.113 226 L HN 0.323 nan 8.230 nan 0.000 0.504 227 R N 1.087 121.723 120.500 0.228 0.000 2.538 227 R HA 0.381 4.726 4.340 0.009 0.000 0.292 227 R C -0.822 175.666 176.300 0.314 0.000 1.008 227 R CA -0.662 55.606 56.100 0.280 0.000 0.896 227 R CB 1.664 32.011 30.300 0.078 0.000 1.187 227 R HN 0.583 nan 8.270 nan 0.000 0.440 228 S N 1.677 117.566 115.700 0.315 0.000 2.546 228 S HA 0.356 4.832 4.470 0.009 0.000 0.290 228 S C -0.115 174.537 174.600 0.087 0.000 1.290 228 S CA -0.123 58.144 58.200 0.111 0.000 1.069 228 S CB 0.962 64.179 63.200 0.028 0.000 0.846 228 S HN 0.689 nan 8.310 nan 0.000 0.495 229 A N 2.948 125.783 122.820 0.026 0.000 2.609 229 A HA 0.861 5.187 4.320 0.009 0.000 0.291 229 A C -1.159 176.444 177.584 0.033 0.000 1.096 229 A CA -0.708 51.273 52.037 -0.094 0.000 0.684 229 A CB 1.319 20.198 19.000 -0.202 0.000 1.282 229 A HN 0.810 nan 8.150 nan 0.000 0.412 230 I N 0.419 120.988 120.570 -0.002 0.000 2.692 230 I HA 0.558 4.733 4.170 0.009 0.000 0.293 230 I C -1.240 174.965 176.117 0.146 0.000 1.200 230 I CA -0.066 61.362 61.300 0.212 0.000 1.036 230 I CB 2.357 40.447 38.000 0.149 0.000 1.258 230 I HN 0.600 nan 8.210 nan 0.000 0.421 231 T N 6.459 121.141 114.554 0.214 0.000 2.770 231 T HA 0.440 4.796 4.350 0.009 0.000 0.283 231 T C -0.635 173.863 174.700 -0.336 0.000 0.988 231 T CA -0.361 61.706 62.100 -0.055 0.000 0.957 231 T CB 1.469 70.282 68.868 -0.092 0.000 0.930 231 T HN 0.262 nan 8.240 nan 0.000 0.443 232 V N 5.197 124.851 119.914 -0.435 0.000 2.333 232 V HA 0.449 4.575 4.120 0.009 0.000 0.274 232 V C -0.306 175.479 176.094 -0.515 0.000 1.028 232 V CA -0.789 61.260 62.300 -0.418 0.000 0.851 232 V CB -0.180 31.369 31.823 -0.457 0.000 1.000 232 V HN 0.699 nan 8.190 nan 0.000 0.456 233 F N 5.255 125.129 119.950 -0.126 0.000 2.362 233 F HA 0.496 5.029 4.527 0.010 0.000 0.311 233 F C -1.789 173.935 175.800 -0.126 0.000 1.161 233 F CA -2.456 55.385 58.000 -0.264 0.000 1.085 233 F CB 0.172 38.965 39.000 -0.344 0.000 1.311 233 F HN 0.291 nan 8.300 nan 0.000 0.524 234 P HA -0.021 nan 4.420 nan 0.000 0.264 234 P C -0.869 176.500 177.300 0.115 0.000 1.183 234 P CA -0.045 63.062 63.100 0.013 0.000 0.763 234 P CB 0.219 31.889 31.700 -0.050 0.000 0.807 235 Q N 3.418 123.187 119.800 -0.052 0.000 2.584 235 Q HA 0.141 4.487 4.340 0.009 0.000 0.218 235 Q C -0.155 175.753 176.000 -0.153 0.000 1.079 235 Q CA -0.357 55.185 55.803 -0.435 0.000 1.008 235 Q CB 0.520 28.707 28.738 -0.918 0.000 1.267 235 Q HN 0.309 nan 8.270 nan 0.000 0.586 236 R N -0.052 120.322 120.500 -0.210 0.000 2.401 236 R HA 0.345 4.690 4.340 0.009 0.000 0.299 236 R C -0.906 175.342 176.300 -0.086 0.000 1.064 236 R CA 0.220 56.268 56.100 -0.088 0.000 1.000 236 R CB 0.702 30.944 30.300 -0.097 0.000 0.973 236 R HN 0.647 nan 8.270 nan 0.000 0.438 237 A N 6.002 128.811 122.820 -0.017 0.000 2.330 237 A HA 0.541 4.866 4.320 0.009 0.000 0.327 237 A C -2.360 175.222 177.584 -0.004 0.000 1.155 237 A CA -1.917 50.116 52.037 -0.006 0.000 0.803 237 A CB 1.201 20.227 19.000 0.043 0.000 1.208 237 A HN 0.436 nan 8.150 nan 0.000 0.477 238 P HA 0.362 nan 4.420 nan 0.000 0.271 238 P C 0.730 178.035 177.300 0.009 0.000 1.220 238 P CA 1.499 64.598 63.100 -0.001 0.000 0.768 238 P CB 0.837 32.537 31.700 0.000 0.000 0.848 239 G N 1.851 110.655 108.800 0.007 0.000 2.298 239 G HA2 -0.211 3.755 3.960 0.009 0.000 0.287 239 G HA3 -0.211 3.755 3.960 0.009 0.000 0.287 239 G C -0.043 174.863 174.900 0.010 0.000 1.075 239 G CA -0.249 44.857 45.100 0.009 0.000 0.960 239 G HN 0.749 nan 8.290 nan 0.000 0.502 240 R N -0.745 119.759 120.500 0.007 0.000 2.664 240 R HA 0.520 4.865 4.340 0.009 0.000 0.260 240 R C 0.525 176.822 176.300 -0.005 0.000 1.062 240 R CA 0.035 56.136 56.100 0.002 0.000 0.902 240 R CB 0.556 30.865 30.300 0.015 0.000 1.258 240 R HN 0.845 nan 8.270 nan 0.000 0.465 241 G N 1.389 110.175 108.800 -0.024 0.000 2.634 241 G HA2 0.200 4.165 3.960 0.009 0.000 0.255 241 G HA3 0.200 4.165 3.960 0.009 0.000 0.255 241 G C -0.477 174.401 174.900 -0.036 0.000 1.205 241 G CA -0.287 44.797 45.100 -0.027 0.000 0.884 241 G HN 0.547 nan 8.290 nan 0.000 0.549 242 D N -0.752 119.645 120.400 -0.004 0.000 2.312 242 D HA 0.305 4.950 4.640 0.009 0.000 0.248 242 D C -0.592 175.719 176.300 0.019 0.000 1.086 242 D CA 0.060 54.087 54.000 0.045 0.000 0.948 242 D CB 1.241 42.087 40.800 0.076 0.000 1.162 242 D HN 0.084 nan 8.370 nan 0.000 0.446 243 F N 1.357 121.338 119.950 0.053 0.000 2.404 243 F HA 0.300 4.833 4.527 0.010 0.000 0.358 243 F C 0.799 176.634 175.800 0.057 0.000 1.120 243 F CA -0.140 57.876 58.000 0.026 0.000 1.144 243 F CB 0.630 39.643 39.000 0.021 0.000 1.133 243 F HN -0.208 nan 8.300 nan 0.000 0.495 244 R N 4.441 125.079 120.500 0.230 0.000 2.673 244 R HA 0.525 4.870 4.340 0.009 0.000 0.281 244 R C -1.164 175.305 176.300 0.282 0.000 0.991 244 R CA -0.862 55.391 56.100 0.255 0.000 0.896 244 R CB 2.337 32.810 30.300 0.287 0.000 1.201 244 R HN 0.614 nan 8.270 nan 0.000 0.457 245 I N 2.267 122.992 120.570 0.258 0.000 2.330 245 I HA 0.153 4.328 4.170 0.009 0.000 0.289 245 I C 0.543 176.890 176.117 0.383 0.000 1.001 245 I CA -0.465 60.982 61.300 0.244 0.000 1.193 245 I CB 1.149 39.235 38.000 0.143 0.000 1.345 245 I HN 0.511 nan 8.210 nan 0.000 0.461 246 W N 3.481 124.840 121.300 0.099 0.000 2.388 246 W HA -0.091 4.574 4.660 0.009 0.000 0.294 246 W C 0.932 177.576 176.519 0.209 0.000 1.212 246 W CA 0.102 57.580 57.345 0.222 0.000 1.271 246 W CB -0.920 28.637 29.460 0.162 0.000 1.126 246 W HN 0.409 nan 8.180 nan 0.000 0.535 247 N N 0.117 118.988 118.700 0.285 0.000 2.492 247 N HA 0.018 4.764 4.740 0.009 0.000 0.260 247 N C 1.374 176.953 175.510 0.115 0.000 1.215 247 N CA 0.820 53.958 53.050 0.147 0.000 0.923 247 N CB 0.817 39.326 38.487 0.036 0.000 1.092 247 N HN -0.090 nan 8.380 nan 0.000 0.448 248 S N 1.252 117.011 115.700 0.099 0.000 2.402 248 S HA -0.095 4.380 4.470 0.009 0.000 0.229 248 S C 0.382 174.985 174.600 0.005 0.000 1.021 248 S CA 0.855 59.099 58.200 0.073 0.000 0.974 248 S CB 0.022 63.282 63.200 0.101 0.000 0.800 248 S HN 0.667 nan 8.310 nan 0.000 0.484 249 Q N -0.906 118.881 119.800 -0.022 0.000 2.495 249 Q HA 0.520 4.865 4.340 0.009 0.000 0.287 249 Q C 0.373 176.293 176.000 -0.133 0.000 1.078 249 Q CA -0.614 55.135 55.803 -0.090 0.000 0.793 249 Q CB 1.837 30.550 28.738 -0.041 0.000 1.459 249 Q HN 0.126 nan 8.270 nan 0.000 0.422 250 L N 0.033 121.149 121.223 -0.179 0.000 2.093 250 L HA 0.018 4.363 4.340 0.009 0.000 0.208 250 L C 0.416 177.136 176.870 -0.251 0.000 1.085 250 L CA 0.851 55.584 54.840 -0.178 0.000 0.755 250 L CB 0.137 42.086 42.059 -0.184 0.000 0.904 250 L HN 0.266 nan 8.230 nan 0.000 0.435 251 V N 1.094 120.759 119.914 -0.415 0.000 2.384 251 V HA 0.474 4.599 4.120 0.009 0.000 0.287 251 V C -0.365 175.214 176.094 -0.859 0.000 1.020 251 V CA -0.699 61.165 62.300 -0.726 0.000 0.850 251 V CB 1.462 32.599 31.823 -1.144 0.000 0.987 251 V HN 0.164 nan 8.190 nan 0.000 0.436 252 R N 2.881 123.013 120.500 -0.613 0.000 2.651 252 R HA 0.519 4.864 4.340 0.009 0.000 0.278 252 R C -1.602 174.496 176.300 -0.338 0.000 1.010 252 R CA -0.854 55.013 56.100 -0.388 0.000 0.896 252 R CB 1.918 32.121 30.300 -0.162 0.000 1.211 252 R HN 0.564 nan 8.270 nan 0.000 0.456 253 Y N 0.368 120.662 120.300 -0.010 0.000 2.310 253 Y HA 0.499 5.055 4.550 0.009 0.000 0.326 253 Y C 1.029 176.887 175.900 -0.071 0.000 1.151 253 Y CA -0.683 57.420 58.100 0.005 0.000 1.195 253 Y CB 1.117 39.650 38.460 0.121 0.000 1.210 253 Y HN 0.689 nan 8.280 nan 0.000 0.483 254 A N 1.690 124.534 122.820 0.040 0.000 2.483 254 A HA 0.517 4.843 4.320 0.009 0.000 0.238 254 A C 0.634 177.970 177.584 -0.414 0.000 1.070 254 A CA 0.310 52.203 52.037 -0.240 0.000 0.770 254 A CB -0.275 18.534 19.000 -0.319 0.000 1.008 254 A HN 0.960 nan 8.150 nan 0.000 0.497 255 G N 0.950 109.490 108.800 -0.434 0.000 2.814 255 G HA2 0.526 4.491 3.960 0.009 0.000 0.300 255 G HA3 0.526 4.491 3.960 0.009 0.000 0.300 255 G C -1.096 173.634 174.900 -0.283 0.000 1.406 255 G CA -0.261 44.645 45.100 -0.322 0.000 1.041 255 G HN 0.488 nan 8.290 nan 0.000 0.532 256 Y N 1.087 121.403 120.300 0.026 0.000 2.383 256 Y HA 0.389 4.944 4.550 0.009 0.000 0.344 256 Y C 0.986 176.888 175.900 0.004 0.000 0.986 256 Y CA -1.298 56.818 58.100 0.027 0.000 1.175 256 Y CB 1.192 39.665 38.460 0.021 0.000 1.152 256 Y HN 0.537 nan 8.280 nan 0.000 0.511 257 R N 3.708 124.301 120.500 0.155 0.000 2.291 257 R HA 0.101 4.446 4.340 0.009 0.000 0.333 257 R C -0.270 176.074 176.300 0.074 0.000 1.082 257 R CA -0.281 55.870 56.100 0.084 0.000 0.948 257 R CB 0.150 30.489 30.300 0.064 0.000 1.009 257 R HN 0.562 nan 8.270 nan 0.000 0.460 258 Q N 2.601 122.434 119.800 0.055 0.000 2.443 258 Q HA -0.046 4.299 4.340 0.009 0.000 0.232 258 Q C 0.578 176.590 176.000 0.020 0.000 1.026 258 Q CA -0.038 55.785 55.803 0.034 0.000 0.924 258 Q CB 0.874 29.627 28.738 0.026 0.000 1.256 258 Q HN 0.627 nan 8.270 nan 0.000 0.519 259 Q N 1.052 120.858 119.800 0.010 0.000 2.084 259 Q HA -0.166 4.179 4.340 0.009 0.000 0.202 259 Q C 1.196 177.199 176.000 0.006 0.000 0.978 259 Q CA 2.057 57.862 55.803 0.004 0.000 0.844 259 Q CB 0.103 28.839 28.738 -0.003 0.000 0.898 259 Q HN 0.701 nan 8.270 nan 0.000 0.426 260 D N -3.047 117.356 120.400 0.006 0.000 2.317 260 D HA -0.024 4.621 4.640 0.009 0.000 0.211 260 D C 1.086 177.391 176.300 0.009 0.000 0.966 260 D CA 1.065 55.068 54.000 0.006 0.000 0.876 260 D CB 0.447 41.249 40.800 0.004 0.000 0.927 260 D HN 0.398 nan 8.370 nan 0.000 0.519 261 G N 0.753 109.560 108.800 0.012 0.000 2.380 261 G HA2 -0.262 3.703 3.960 0.009 0.000 0.197 261 G HA3 -0.262 3.703 3.960 0.009 0.000 0.197 261 G C 0.598 175.507 174.900 0.015 0.000 1.001 261 G CA 0.298 45.407 45.100 0.014 0.000 0.668 261 G HN 0.649 nan 8.290 nan 0.000 0.483 262 S N -0.612 115.096 115.700 0.014 0.000 2.602 262 S HA 0.739 5.214 4.470 0.009 0.000 0.257 262 S C 0.125 174.732 174.600 0.013 0.000 1.250 262 S CA 0.287 58.493 58.200 0.011 0.000 0.986 262 S CB 1.784 64.989 63.200 0.008 0.000 1.040 262 S HN 1.188 nan 8.310 nan 0.000 0.562 263 V N 0.459 120.373 119.914 -0.001 0.000 2.888 263 V HA 0.560 4.686 4.120 0.009 0.000 0.309 263 V C -0.413 175.667 176.094 -0.025 0.000 1.114 263 V CA -0.814 61.482 62.300 -0.006 0.000 0.940 263 V CB 1.935 33.735 31.823 -0.037 0.000 1.021 263 V HN 0.928 nan 8.190 nan 0.000 0.426 264 R N 2.167 122.680 120.500 0.021 0.000 2.295 264 R HA 0.707 5.052 4.340 0.009 0.000 0.324 264 R C 0.497 176.758 176.300 -0.065 0.000 0.968 264 R CA 0.884 56.999 56.100 0.025 0.000 0.837 264 R CB 1.194 31.587 30.300 0.155 0.000 1.133 264 R HN 1.270 nan 8.270 nan 0.000 0.450 265 G N 2.894 111.561 108.800 -0.221 0.000 2.516 265 G HA2 -0.231 3.734 3.960 0.009 0.000 0.220 265 G HA3 -0.231 3.734 3.960 0.009 0.000 0.220 265 G C -1.350 173.165 174.900 -0.641 0.000 1.165 265 G CA -0.133 44.753 45.100 -0.357 0.000 1.013 265 G HN 0.608 nan 8.290 nan 0.000 0.590 266 D N 1.724 121.887 120.400 -0.395 0.000 2.373 266 D HA 0.571 5.217 4.640 0.009 0.000 0.227 266 D C -1.280 174.914 176.300 -0.176 0.000 1.091 266 D CA -1.851 51.950 54.000 -0.332 0.000 0.840 266 D CB 1.708 42.579 40.800 0.117 0.000 1.060 266 D HN -0.033 nan 8.370 nan 0.000 0.502 267 P HA -0.064 nan 4.420 nan 0.000 0.222 267 P C 0.883 178.183 177.300 0.000 0.000 1.147 267 P CA 0.764 63.821 63.100 -0.071 0.000 0.790 267 P CB 0.342 32.009 31.700 -0.054 0.000 0.780 268 A N -0.304 122.533 122.820 0.029 0.000 2.015 268 A HA -0.122 4.203 4.320 0.009 0.000 0.219 268 A C 1.656 179.284 177.584 0.075 0.000 1.163 268 A CA 1.347 53.432 52.037 0.080 0.000 0.646 268 A CB -0.891 18.181 19.000 0.120 0.000 0.806 268 A HN 0.146 nan 8.150 nan 0.000 0.448 269 N N -0.114 118.613 118.700 0.045 0.000 2.279 269 N HA 0.139 4.885 4.740 0.009 0.000 0.226 269 N C 1.074 176.576 175.510 -0.013 0.000 1.126 269 N CA 0.131 53.195 53.050 0.024 0.000 0.846 269 N CB 0.625 39.121 38.487 0.016 0.000 1.050 269 N HN 0.206 nan 8.380 nan 0.000 0.502 270 V N 0.951 120.864 119.914 -0.003 0.000 2.295 270 V HA -0.216 3.909 4.120 0.009 0.000 0.246 270 V C 2.279 178.375 176.094 0.003 0.000 1.049 270 V CA 1.675 63.972 62.300 -0.005 0.000 1.024 270 V CB -0.156 31.674 31.823 0.012 0.000 0.648 270 V HN 0.351 nan 8.190 nan 0.000 0.447 271 E N -0.609 119.598 120.200 0.013 0.000 2.031 271 E HA -0.242 4.114 4.350 0.009 0.000 0.193 271 E C 2.159 178.693 176.600 -0.109 0.000 0.994 271 E CA 1.654 58.041 56.400 -0.021 0.000 0.800 271 E CB -0.215 29.510 29.700 0.043 0.000 0.752 271 E HN 0.490 nan 8.360 nan 0.000 0.447 272 I N 1.072 121.585 120.570 -0.095 0.000 2.361 272 I HA -0.233 3.943 4.170 0.009 0.000 0.251 272 I C 2.071 178.130 176.117 -0.096 0.000 1.133 272 I CA 1.563 62.779 61.300 -0.140 0.000 1.413 272 I CB -0.321 37.648 38.000 -0.052 0.000 1.073 272 I HN 0.026 nan 8.210 nan 0.000 0.424 273 T N 0.288 114.808 114.554 -0.056 0.000 2.746 273 T HA -0.170 4.185 4.350 0.009 0.000 0.267 273 T C 1.739 176.500 174.700 0.101 0.000 1.039 273 T CA 1.761 63.863 62.100 0.003 0.000 1.142 273 T CB -0.273 68.595 68.868 0.001 0.000 0.866 273 T HN 0.485 nan 8.240 nan 0.000 0.444 274 E N 0.638 120.870 120.200 0.053 0.000 2.150 274 E HA -0.010 4.345 4.350 0.009 0.000 0.193 274 E C 2.185 178.812 176.600 0.046 0.000 0.985 274 E CA 0.669 57.106 56.400 0.062 0.000 0.814 274 E CB -0.224 29.490 29.700 0.023 0.000 0.752 274 E HN 0.417 nan 8.360 nan 0.000 0.466 275 L N 0.212 121.430 121.223 -0.009 0.000 2.056 275 L HA -0.188 4.158 4.340 0.009 0.000 0.207 275 L C 2.553 179.539 176.870 0.193 0.000 1.078 275 L CA 0.657 55.532 54.840 0.059 0.000 0.749 275 L CB -0.307 41.703 42.059 -0.082 0.000 0.901 275 L HN 0.295 nan 8.230 nan 0.000 0.433 276 C N -0.048 119.306 119.300 0.090 0.000 2.425 276 C HA -0.157 4.309 4.460 0.009 0.000 0.277 276 C C 2.725 177.873 174.990 0.262 0.000 1.280 276 C CA 0.562 59.638 59.018 0.096 0.000 1.744 276 C CB -0.623 27.062 27.740 -0.091 0.000 1.989 276 C HN 0.420 nan 8.230 nan 0.000 0.491 277 I N 0.255 120.996 120.570 0.285 0.000 2.252 277 I HA -0.244 3.932 4.170 0.009 0.000 0.245 277 I C 2.613 178.789 176.117 0.099 0.000 1.102 277 I CA 1.491 62.931 61.300 0.235 0.000 1.385 277 I CB -0.615 37.502 38.000 0.195 0.000 1.064 277 I HN 0.452 nan 8.210 nan 0.000 0.414 278 Q N -0.233 119.595 119.800 0.046 0.000 2.291 278 Q HA -0.203 4.142 4.340 0.009 0.000 0.206 278 Q C 0.947 176.812 176.000 -0.225 0.000 0.976 278 Q CA 1.196 56.941 55.803 -0.096 0.000 0.875 278 Q CB -0.097 28.550 28.738 -0.152 0.000 0.927 278 Q HN 0.630 nan 8.270 nan 0.000 0.450 279 H N -1.680 117.380 119.070 -0.016 0.000 2.507 279 H HA 0.242 4.804 4.556 0.009 0.000 0.294 279 H C 0.748 176.050 175.328 -0.042 0.000 1.064 279 H CA 0.438 56.449 56.048 -0.061 0.000 1.138 279 H CB 0.721 30.401 29.762 -0.136 0.000 1.515 279 H HN 0.373 nan 8.280 nan 0.000 0.547 280 G N -0.262 108.574 108.800 0.061 0.000 2.176 280 G HA2 -0.268 3.698 3.960 0.009 0.000 0.232 280 G HA3 -0.268 3.698 3.960 0.009 0.000 0.232 280 G C -0.027 174.938 174.900 0.108 0.000 0.986 280 G CA -0.195 44.932 45.100 0.045 0.000 0.643 280 G HN 0.374 nan 8.290 nan 0.000 0.522 281 W N 2.622 123.901 121.300 -0.033 0.000 2.238 281 W HA 0.634 5.300 4.660 0.009 0.000 0.321 281 W C 0.202 176.715 176.519 -0.010 0.000 1.293 281 W CA 0.402 57.733 57.345 -0.024 0.000 1.204 281 W CB 0.840 30.296 29.460 -0.007 0.000 1.167 281 W HN 0.035 nan 8.180 nan 0.000 0.553 282 T N 9.487 123.681 114.554 -0.600 0.000 2.738 282 T HA 0.228 4.583 4.350 0.009 0.000 0.298 282 T C -2.086 171.874 174.700 -1.232 0.000 0.962 282 T CA -0.997 60.724 62.100 -0.633 0.000 0.972 282 T CB 0.617 69.265 68.868 -0.366 0.000 0.928 282 T HN 0.239 nan 8.240 nan 0.000 0.474 283 P HA 0.315 nan 4.420 nan 0.000 0.272 283 P C 0.309 177.232 177.300 -0.629 0.000 1.230 283 P CA -0.218 62.228 63.100 -1.090 0.000 0.788 283 P CB 0.927 32.350 31.700 -0.462 0.000 0.949 284 G N 0.998 109.572 108.800 -0.377 0.000 2.857 284 G HA2 0.411 4.376 3.960 0.009 0.000 0.217 284 G HA3 0.411 4.376 3.960 0.009 0.000 0.217 284 G C -0.099 174.549 174.900 -0.421 0.000 1.357 284 G CA -0.603 44.376 45.100 -0.202 0.000 1.033 284 G HN 0.674 nan 8.290 nan 0.000 0.571 285 N N -1.144 117.437 118.700 -0.198 0.000 2.545 285 N HA 0.285 5.031 4.740 0.009 0.000 0.283 285 N C 0.083 175.615 175.510 0.036 0.000 1.596 285 N CA 0.006 52.906 53.050 -0.249 0.000 0.862 285 N CB 0.593 38.935 38.487 -0.242 0.000 1.422 285 N HN 0.712 nan 8.380 nan 0.000 0.489 286 G N -0.190 108.734 108.800 0.207 0.000 2.552 286 G HA2 0.406 4.371 3.960 0.009 0.000 0.324 286 G HA3 0.406 4.371 3.960 0.009 0.000 0.324 286 G C 0.386 175.383 174.900 0.160 0.000 1.217 286 G CA -0.816 44.389 45.100 0.175 0.000 0.989 286 G HN 0.101 nan 8.290 nan 0.000 0.490 287 R N -1.056 119.441 120.500 -0.006 0.000 2.161 287 R HA 0.072 4.417 4.340 0.009 0.000 0.213 287 R C 0.083 176.020 176.300 -0.607 0.000 1.055 287 R CA 0.864 56.776 56.100 -0.313 0.000 0.996 287 R CB 0.016 30.011 30.300 -0.507 0.000 0.901 287 R HN 0.410 nan 8.270 nan 0.000 0.456 288 F N 1.077 120.994 119.950 -0.055 0.000 2.798 288 F HA 0.245 4.777 4.527 0.009 0.000 0.333 288 F C -0.656 175.152 175.800 0.013 0.000 1.324 288 F CA -1.059 56.699 58.000 -0.404 0.000 1.183 288 F CB 0.466 39.074 39.000 -0.654 0.000 1.132 288 F HN -0.310 nan 8.300 nan 0.000 0.521 289 D N 1.458 122.045 120.400 0.312 0.000 2.316 289 D HA 0.183 4.828 4.640 0.009 0.000 0.245 289 D C 0.184 176.729 176.300 0.409 0.000 1.171 289 D CA 0.100 54.335 54.000 0.392 0.000 0.856 289 D CB 1.876 42.954 40.800 0.463 0.000 1.090 289 D HN -0.060 nan 8.370 nan 0.000 0.476 290 V N 3.753 123.869 119.914 0.337 0.000 2.585 290 V HA 0.015 4.140 4.120 0.009 0.000 0.296 290 V C 0.967 177.049 176.094 -0.020 0.000 1.035 290 V CA -0.246 62.117 62.300 0.105 0.000 1.084 290 V CB 0.310 32.153 31.823 0.034 0.000 0.953 290 V HN 0.343 nan 8.190 nan 0.000 0.483 291 L N 7.882 128.981 121.223 -0.207 0.000 2.418 291 L HA 0.422 4.768 4.340 0.009 0.000 0.265 291 L C -1.726 174.881 176.870 -0.438 0.000 1.143 291 L CA -1.497 53.052 54.840 -0.486 0.000 0.809 291 L CB 1.282 43.074 42.059 -0.445 0.000 1.124 291 L HN 0.490 nan 8.230 nan 0.000 0.456 292 P HA 0.213 nan 4.420 nan 0.000 0.278 292 P C -1.182 175.955 177.300 -0.272 0.000 1.266 292 P CA -0.661 62.212 63.100 -0.379 0.000 0.807 292 P CB 1.131 32.548 31.700 -0.472 0.000 1.094 293 L N 1.187 122.331 121.223 -0.132 0.000 2.312 293 L HA 0.275 4.621 4.340 0.009 0.000 0.281 293 L C 0.308 177.131 176.870 -0.079 0.000 1.070 293 L CA -0.375 54.430 54.840 -0.059 0.000 0.805 293 L CB -0.004 42.089 42.059 0.057 0.000 1.174 293 L HN 0.269 nan 8.230 nan 0.000 0.434 294 L N 5.026 126.189 121.223 -0.100 0.000 2.321 294 L HA 0.443 4.788 4.340 0.009 0.000 0.272 294 L C -0.589 176.153 176.870 -0.213 0.000 1.050 294 L CA 0.061 54.748 54.840 -0.255 0.000 0.893 294 L CB 0.221 42.074 42.059 -0.343 0.000 1.272 294 L HN 0.376 nan 8.230 nan 0.000 0.435 295 L N 3.617 124.782 121.223 -0.096 0.000 2.289 295 L HA 0.513 4.858 4.340 0.009 0.000 0.285 295 L C 0.030 176.832 176.870 -0.113 0.000 1.049 295 L CA -0.321 54.494 54.840 -0.040 0.000 0.804 295 L CB 1.403 43.477 42.059 0.025 0.000 1.195 295 L HN 0.526 nan 8.230 nan 0.000 0.428 296 Q N 2.532 122.288 119.800 -0.074 0.000 2.333 296 Q HA 0.671 5.017 4.340 0.009 0.000 0.268 296 Q C -1.120 174.822 176.000 -0.097 0.000 1.007 296 Q CA -0.582 55.173 55.803 -0.079 0.000 0.810 296 Q CB 2.148 30.911 28.738 0.041 0.000 1.264 296 Q HN 0.788 nan 8.270 nan 0.000 0.452 297 A N 4.915 127.624 122.820 -0.184 0.000 2.282 297 A HA 0.692 5.017 4.320 0.009 0.000 0.319 297 A C -2.475 174.843 177.584 -0.444 0.000 1.121 297 A CA -1.788 49.974 52.037 -0.458 0.000 0.836 297 A CB 0.398 19.241 19.000 -0.261 0.000 1.146 297 A HN 0.614 nan 8.150 nan 0.000 0.494 298 P HA 0.011 nan 4.420 nan 0.000 0.260 298 P C -0.583 176.613 177.300 -0.174 0.000 1.172 298 P CA 0.970 63.858 63.100 -0.355 0.000 0.760 298 P CB 0.128 31.611 31.700 -0.362 0.000 0.773 299 D N 0.144 120.488 120.400 -0.094 0.000 2.983 299 D HA -0.196 4.449 4.640 0.009 0.000 0.225 299 D C -0.175 176.104 176.300 -0.035 0.000 1.174 299 D CA 1.328 55.303 54.000 -0.042 0.000 0.831 299 D CB -0.833 39.947 40.800 -0.034 0.000 1.104 299 D HN 0.571 nan 8.370 nan 0.000 0.421 300 E N -0.605 119.563 120.200 -0.053 0.000 2.277 300 E HA 0.675 5.030 4.350 0.009 0.000 0.266 300 E C -0.111 176.466 176.600 -0.037 0.000 0.901 300 E CA -0.809 55.563 56.400 -0.045 0.000 0.782 300 E CB 1.711 31.370 29.700 -0.067 0.000 1.228 300 E HN 0.141 nan 8.360 nan 0.000 0.424 301 A N 2.630 125.427 122.820 -0.038 0.000 2.386 301 A HA 0.333 4.658 4.320 0.009 0.000 0.248 301 A C -2.112 175.359 177.584 -0.189 0.000 1.082 301 A CA -1.044 50.956 52.037 -0.061 0.000 0.789 301 A CB -0.320 18.666 19.000 -0.023 0.000 1.025 301 A HN 0.346 nan 8.150 nan 0.000 0.490 302 P HA 0.178 nan 4.420 nan 0.000 0.271 302 P C -0.699 176.323 177.300 -0.463 0.000 1.220 302 P CA 0.164 62.889 63.100 -0.625 0.000 0.768 302 P CB 0.703 31.533 31.700 -1.450 0.000 0.848 303 E N 1.500 121.525 120.200 -0.292 0.000 2.231 303 E HA 0.348 4.703 4.350 0.009 0.000 0.277 303 E C -0.538 175.790 176.600 -0.453 0.000 0.999 303 E CA -1.014 55.187 56.400 -0.331 0.000 0.827 303 E CB 1.128 30.688 29.700 -0.233 0.000 1.101 303 E HN 0.317 nan 8.360 nan 0.000 0.393 304 L N 3.522 124.388 121.223 -0.594 0.000 2.305 304 L HA 0.372 4.718 4.340 0.009 0.000 0.281 304 L C -1.488 174.872 176.870 -0.851 0.000 1.085 304 L CA 0.243 54.775 54.840 -0.512 0.000 0.813 304 L CB 0.113 41.989 42.059 -0.304 0.000 1.157 304 L HN 0.400 nan 8.230 nan 0.000 0.436 305 F N 4.294 124.007 119.950 -0.394 0.000 2.536 305 F HA 0.433 4.966 4.527 0.010 0.000 0.322 305 F C -0.274 175.245 175.800 -0.469 0.000 1.144 305 F CA -0.855 56.752 58.000 -0.655 0.000 0.924 305 F CB 1.782 40.008 39.000 -1.289 0.000 1.181 305 F HN 0.018 nan 8.300 nan 0.000 0.438 306 V N 5.014 124.830 119.914 -0.164 0.000 2.461 306 V HA 0.247 4.372 4.120 0.009 0.000 0.275 306 V C 0.238 176.442 176.094 0.183 0.000 1.047 306 V CA -0.640 61.665 62.300 0.009 0.000 0.955 306 V CB 1.191 33.055 31.823 0.069 0.000 0.988 306 V HN 0.532 nan 8.190 nan 0.000 0.471 307 L N 7.644 128.993 121.223 0.211 0.000 2.367 307 L HA 0.298 4.643 4.340 0.009 0.000 0.275 307 L C -2.120 174.859 176.870 0.181 0.000 1.129 307 L CA -1.465 53.541 54.840 0.277 0.000 0.839 307 L CB 0.603 42.748 42.059 0.143 0.000 1.133 307 L HN 0.440 nan 8.230 nan 0.000 0.453 308 P HA 0.105 nan 4.420 nan 0.000 0.271 308 P C -2.017 175.328 177.300 0.076 0.000 1.220 308 P CA -1.030 62.138 63.100 0.113 0.000 0.768 308 P CB 0.496 32.250 31.700 0.090 0.000 0.848 309 P HA -0.260 nan 4.420 nan 0.000 0.218 309 P C 1.356 178.682 177.300 0.044 0.000 1.154 309 P CA 1.468 64.606 63.100 0.062 0.000 0.872 309 P CB -0.158 31.582 31.700 0.066 0.000 0.790 310 E N -0.683 119.539 120.200 0.037 0.000 2.338 310 E HA -0.137 4.218 4.350 0.009 0.000 0.197 310 E C 1.682 178.292 176.600 0.016 0.000 1.007 310 E CA 0.942 57.356 56.400 0.023 0.000 0.849 310 E CB -0.981 28.730 29.700 0.019 0.000 0.774 310 E HN 0.236 nan 8.360 nan 0.000 0.506 311 L N 0.958 122.192 121.223 0.017 0.000 2.270 311 L HA 0.034 4.380 4.340 0.009 0.000 0.210 311 L C 0.789 177.666 176.870 0.011 0.000 1.104 311 L CA 0.622 55.466 54.840 0.007 0.000 0.804 311 L CB 0.405 42.461 42.059 -0.005 0.000 0.937 311 L HN -0.111 nan 8.230 nan 0.000 0.450 312 V N 1.638 121.561 119.914 0.015 0.000 2.304 312 V HA 0.177 4.302 4.120 0.009 0.000 0.262 312 V C -0.049 176.065 176.094 0.033 0.000 1.061 312 V CA -0.751 61.556 62.300 0.012 0.000 0.872 312 V CB 0.700 32.518 31.823 -0.008 0.000 1.077 312 V HN 0.014 nan 8.190 nan 0.000 0.480 313 L N 5.477 126.726 121.223 0.043 0.000 2.360 313 L HA 0.457 4.802 4.340 0.009 0.000 0.276 313 L C 0.171 177.075 176.870 0.058 0.000 1.121 313 L CA 0.796 55.656 54.840 0.034 0.000 0.845 313 L CB 0.500 42.572 42.059 0.021 0.000 1.143 313 L HN 0.660 nan 8.230 nan 0.000 0.452 314 E N 3.122 123.336 120.200 0.025 0.000 2.320 314 E HA 0.644 4.999 4.350 0.009 0.000 0.264 314 E C -1.482 175.066 176.600 -0.086 0.000 0.923 314 E CA -1.041 55.375 56.400 0.027 0.000 0.796 314 E CB 2.434 32.176 29.700 0.071 0.000 1.262 314 E HN 0.379 nan 8.360 nan 0.000 0.428 315 V N 2.560 122.396 119.914 -0.131 0.000 2.409 315 V HA 0.299 4.424 4.120 0.009 0.000 0.290 315 V C -2.496 173.534 176.094 -0.107 0.000 1.017 315 V CA -1.960 60.202 62.300 -0.230 0.000 0.841 315 V CB 1.376 32.821 31.823 -0.630 0.000 1.003 315 V HN 0.524 nan 8.190 nan 0.000 0.426 316 P HA 0.286 nan 4.420 nan 0.000 0.276 316 P C -0.534 176.770 177.300 0.006 0.000 1.235 316 P CA -0.077 62.990 63.100 -0.055 0.000 0.772 316 P CB 0.573 32.249 31.700 -0.040 0.000 0.871 317 L N 3.999 125.257 121.223 0.057 0.000 2.305 317 L HA 0.422 4.767 4.340 0.009 0.000 0.281 317 L C 1.005 178.023 176.870 0.248 0.000 1.085 317 L CA -0.033 54.909 54.840 0.170 0.000 0.813 317 L CB 0.391 42.609 42.059 0.266 0.000 1.157 317 L HN 0.478 nan 8.230 nan 0.000 0.436 318 E N 1.900 122.223 120.200 0.204 0.000 2.383 318 E HA 0.371 4.727 4.350 0.009 0.000 0.275 318 E C -1.321 175.302 176.600 0.039 0.000 0.918 318 E CA -0.942 55.580 56.400 0.203 0.000 0.764 318 E CB 2.060 31.851 29.700 0.152 0.000 1.252 318 E HN 0.475 nan 8.360 nan 0.000 0.449 319 H N 2.615 121.549 119.070 -0.226 0.000 2.458 319 H HA 0.208 4.770 4.556 0.009 0.000 0.330 319 H C -1.642 173.404 175.328 -0.469 0.000 1.111 319 H CA -2.202 53.551 56.048 -0.492 0.000 1.245 319 H CB 1.931 31.282 29.762 -0.685 0.000 1.456 319 H HN 0.467 nan 8.280 nan 0.000 0.488 320 P HA -0.143 nan 4.420 nan 0.000 0.219 320 P C 0.914 178.022 177.300 -0.320 0.000 1.146 320 P CA 1.789 64.356 63.100 -0.889 0.000 0.808 320 P CB 0.464 31.586 31.700 -0.964 0.000 0.779 321 T N -4.241 110.272 114.554 -0.069 0.000 3.057 321 T HA 0.181 4.536 4.350 0.009 0.000 0.254 321 T C 0.965 175.629 174.700 -0.059 0.000 0.965 321 T CA -0.262 61.828 62.100 -0.017 0.000 0.978 321 T CB -0.662 68.214 68.868 0.014 0.000 1.169 321 T HN -0.066 nan 8.240 nan 0.000 0.489 322 L N 2.909 124.050 121.223 -0.137 0.000 2.462 322 L HA 0.318 4.663 4.340 0.009 0.000 0.283 322 L C 1.317 177.828 176.870 -0.598 0.000 1.166 322 L CA -0.152 54.327 54.840 -0.602 0.000 0.964 322 L CB 0.167 41.501 42.059 -1.208 0.000 1.294 322 L HN 0.307 nan 8.230 nan 0.000 0.449 323 E N 3.210 123.218 120.200 -0.321 0.000 2.209 323 E HA -0.202 4.153 4.350 0.009 0.000 0.196 323 E C 1.572 178.135 176.600 -0.062 0.000 0.993 323 E CA 1.452 57.776 56.400 -0.127 0.000 0.819 323 E CB 0.036 29.737 29.700 0.002 0.000 0.745 323 E HN 0.821 nan 8.360 nan 0.000 0.477 324 W N -0.327 121.030 121.300 0.096 0.000 2.595 324 W HA -0.018 4.648 4.660 0.009 0.000 0.257 324 W C 1.398 177.976 176.519 0.098 0.000 1.267 324 W CA -0.222 57.168 57.345 0.074 0.000 1.300 324 W CB -0.805 28.677 29.460 0.036 0.000 1.120 324 W HN -0.050 nan 8.180 nan 0.000 0.618 325 F N 2.881 122.606 119.950 -0.376 0.000 2.126 325 F HA -0.127 4.406 4.527 0.009 0.000 0.299 325 F C 2.726 178.541 175.800 0.024 0.000 1.096 325 F CA 2.821 60.702 58.000 -0.198 0.000 1.255 325 F CB -0.628 38.120 39.000 -0.420 0.000 0.997 325 F HN -0.075 nan 8.300 nan 0.000 0.479 326 A N 0.115 123.064 122.820 0.215 0.000 1.908 326 A HA -0.144 4.182 4.320 0.009 0.000 0.218 326 A C 2.356 180.006 177.584 0.111 0.000 1.181 326 A CA 1.723 53.857 52.037 0.162 0.000 0.627 326 A CB -1.525 17.544 19.000 0.115 0.000 0.818 326 A HN 0.428 nan 8.150 nan 0.000 0.445 327 A N -0.993 121.901 122.820 0.124 0.000 2.131 327 A HA 0.001 4.326 4.320 0.009 0.000 0.220 327 A C 1.809 179.440 177.584 0.078 0.000 1.158 327 A CA 1.473 53.574 52.037 0.107 0.000 0.665 327 A CB -0.450 18.634 19.000 0.140 0.000 0.795 327 A HN 0.393 nan 8.150 nan 0.000 0.460 328 L N -0.881 120.368 121.223 0.044 0.000 2.362 328 L HA 0.068 4.413 4.340 0.009 0.000 0.219 328 L C 1.879 178.769 176.870 0.034 0.000 1.134 328 L CA 1.208 56.043 54.840 -0.008 0.000 0.807 328 L CB -1.149 40.799 42.059 -0.185 0.000 0.927 328 L HN 0.657 nan 8.230 nan 0.000 0.447 329 G N -0.454 108.370 108.800 0.040 0.000 2.249 329 G HA2 -0.294 3.672 3.960 0.009 0.000 0.273 329 G HA3 -0.294 3.672 3.960 0.009 0.000 0.273 329 G C 0.322 175.232 174.900 0.018 0.000 1.036 329 G CA 0.403 45.533 45.100 0.049 0.000 0.824 329 G HN 0.317 nan 8.290 nan 0.000 0.504 330 L N -0.697 120.510 121.223 -0.027 0.000 2.421 330 L HA 0.860 5.205 4.340 0.009 0.000 0.263 330 L C 1.027 177.691 176.870 -0.343 0.000 1.122 330 L CA -0.728 54.030 54.840 -0.137 0.000 0.804 330 L CB 1.159 43.240 42.059 0.036 0.000 1.150 330 L HN 0.605 nan 8.230 nan 0.000 0.457 331 R N 0.732 120.819 120.500 -0.689 0.000 2.741 331 R HA 0.494 4.839 4.340 0.009 0.000 0.276 331 R C -2.162 174.050 176.300 -0.147 0.000 1.028 331 R CA -1.064 54.786 56.100 -0.416 0.000 0.865 331 R CB 1.451 31.440 30.300 -0.518 0.000 1.268 331 R HN 0.605 nan 8.270 nan 0.000 0.475 332 W N 1.686 122.932 121.300 -0.090 0.000 3.213 332 W HA 0.336 5.001 4.660 0.008 0.000 0.318 332 W C -1.172 175.445 176.519 0.163 0.000 1.248 332 W CA -1.013 56.378 57.345 0.076 0.000 1.187 332 W CB 1.990 31.411 29.460 -0.065 0.000 1.403 332 W HN 0.706 nan 8.180 nan 0.000 0.556 333 Y N 1.222 121.476 120.300 -0.077 0.000 2.326 333 Y HA 0.518 5.073 4.550 0.008 0.000 0.333 333 Y C 0.820 176.955 175.900 0.392 0.000 1.240 333 Y CA 0.216 58.349 58.100 0.055 0.000 1.365 333 Y CB 0.224 38.590 38.460 -0.156 0.000 1.289 333 Y HN 0.355 nan 8.280 nan 0.000 0.548 334 A N 2.486 125.571 122.820 0.442 0.000 1.930 334 A HA 0.034 4.359 4.320 0.009 0.000 0.215 334 A C 0.604 178.521 177.584 0.554 0.000 1.176 334 A CA 0.429 52.765 52.037 0.498 0.000 0.632 334 A CB -0.367 18.765 19.000 0.219 0.000 0.819 334 A HN 0.697 nan 8.150 nan 0.000 0.445 335 L N 2.012 123.513 121.223 0.464 0.000 2.255 335 L HA 0.386 4.731 4.340 0.009 0.000 0.289 335 L C -2.488 174.540 176.870 0.263 0.000 1.046 335 L CA -2.122 52.901 54.840 0.305 0.000 0.816 335 L CB 1.459 43.629 42.059 0.185 0.000 1.197 335 L HN 0.004 nan 8.230 nan 0.000 0.427 336 P HA 0.316 nan 4.420 nan 0.000 0.288 336 P C -1.460 175.743 177.300 -0.163 0.000 1.363 336 P CA -0.329 62.616 63.100 -0.259 0.000 0.837 336 P CB 1.287 32.414 31.700 -0.953 0.000 0.981 337 A N 4.549 127.287 122.820 -0.136 0.000 2.466 337 A HA 0.429 4.754 4.320 0.009 0.000 0.291 337 A C -0.234 177.125 177.584 -0.374 0.000 1.234 337 A CA -0.650 51.229 52.037 -0.263 0.000 0.752 337 A CB 0.870 19.731 19.000 -0.230 0.000 1.153 337 A HN 0.289 nan 8.150 nan 0.000 0.458 338 V N 2.751 122.266 119.914 -0.664 0.000 2.555 338 V HA 0.304 4.429 4.120 0.009 0.000 0.286 338 V C 1.176 176.859 176.094 -0.685 0.000 1.044 338 V CA 1.119 62.996 62.300 -0.705 0.000 1.026 338 V CB 1.202 32.451 31.823 -0.958 0.000 0.981 338 V HN 1.112 nan 8.190 nan 0.000 0.480 339 S N 1.434 116.948 115.700 -0.311 0.000 2.787 339 S HA 0.028 4.504 4.470 0.009 0.000 0.255 339 S C 0.853 175.451 174.600 -0.003 0.000 1.051 339 S CA 0.083 58.196 58.200 -0.146 0.000 1.124 339 S CB -0.386 62.763 63.200 -0.084 0.000 1.104 339 S HN 0.899 nan 8.310 nan 0.000 0.623 340 N N 0.640 119.347 118.700 0.012 0.000 2.270 340 N HA 0.258 5.003 4.740 0.009 0.000 0.198 340 N C 0.279 175.856 175.510 0.112 0.000 1.117 340 N CA -0.398 52.695 53.050 0.072 0.000 0.845 340 N CB 0.014 38.541 38.487 0.067 0.000 0.980 340 N HN 0.280 nan 8.380 nan 0.000 0.486 341 M N 1.396 121.080 119.600 0.141 0.000 2.314 341 M HA 0.272 4.757 4.480 0.009 0.000 0.342 341 M C -0.520 175.938 176.300 0.263 0.000 1.171 341 M CA -0.737 54.698 55.300 0.226 0.000 1.098 341 M CB 2.385 35.162 32.600 0.295 0.000 1.559 341 M HN 0.147 nan 8.290 nan 0.000 0.459 342 L N 3.541 124.902 121.223 0.230 0.000 2.289 342 L HA 0.419 4.764 4.340 0.009 0.000 0.285 342 L C -1.142 175.857 176.870 0.214 0.000 1.049 342 L CA -0.876 54.085 54.840 0.203 0.000 0.804 342 L CB 0.968 43.097 42.059 0.118 0.000 1.195 342 L HN 0.554 nan 8.230 nan 0.000 0.428 343 L N 5.621 126.974 121.223 0.216 0.000 2.255 343 L HA 0.380 4.726 4.340 0.009 0.000 0.289 343 L C -0.319 176.589 176.870 0.063 0.000 1.046 343 L CA 0.298 55.164 54.840 0.043 0.000 0.816 343 L CB 0.878 42.952 42.059 0.025 0.000 1.197 343 L HN 0.589 nan 8.230 nan 0.000 0.427 344 E N 6.790 126.944 120.200 -0.077 0.000 2.113 344 E HA 0.358 4.713 4.350 0.009 0.000 0.273 344 E C -1.482 175.039 176.600 -0.131 0.000 0.924 344 E CA -0.351 56.013 56.400 -0.060 0.000 0.764 344 E CB 0.865 30.527 29.700 -0.064 0.000 1.104 344 E HN 0.713 nan 8.360 nan 0.000 0.406 345 I N 2.722 123.224 120.570 -0.113 0.000 2.478 345 I HA 0.261 4.437 4.170 0.009 0.000 0.287 345 I C 0.957 176.885 176.117 -0.315 0.000 1.042 345 I CA -0.660 60.453 61.300 -0.313 0.000 1.067 345 I CB 1.980 39.734 38.000 -0.410 0.000 1.233 345 I HN 0.780 nan 8.210 nan 0.000 0.431 346 G N 4.156 112.803 108.800 -0.254 0.000 2.269 346 G HA2 -0.189 3.776 3.960 0.009 0.000 0.277 346 G HA3 -0.189 3.776 3.960 0.009 0.000 0.277 346 G C 1.014 176.003 174.900 0.148 0.000 1.008 346 G CA 0.790 45.939 45.100 0.082 0.000 0.774 346 G HN 1.555 nan 8.290 nan 0.000 0.511 347 G N -2.000 106.818 108.800 0.029 0.000 2.213 347 G HA2 -0.200 3.765 3.960 0.009 0.000 0.236 347 G HA3 -0.200 3.765 3.960 0.009 0.000 0.236 347 G C 0.417 175.275 174.900 -0.070 0.000 0.991 347 G CA 0.289 45.403 45.100 0.023 0.000 0.629 347 G HN 1.237 nan 8.290 nan 0.000 0.517 348 L N 1.149 122.272 121.223 -0.167 0.000 2.326 348 L HA 0.534 4.879 4.340 0.009 0.000 0.278 348 L C 0.207 176.881 176.870 -0.327 0.000 1.092 348 L CA -0.343 54.286 54.840 -0.351 0.000 0.810 348 L CB 1.083 42.816 42.059 -0.544 0.000 1.153 348 L HN 0.194 nan 8.230 nan 0.000 0.439 349 E N 3.355 123.324 120.200 -0.385 0.000 2.129 349 E HA 0.310 4.665 4.350 0.009 0.000 0.268 349 E C -1.334 175.058 176.600 -0.347 0.000 0.900 349 E CA -0.359 55.894 56.400 -0.245 0.000 0.755 349 E CB 1.234 30.860 29.700 -0.123 0.000 1.117 349 E HN 0.288 nan 8.360 nan 0.000 0.410 350 F N 2.319 122.251 119.950 -0.030 0.000 2.384 350 F HA 0.071 4.604 4.527 0.010 0.000 0.359 350 F C 1.686 177.534 175.800 0.081 0.000 1.143 350 F CA -0.427 57.584 58.000 0.019 0.000 1.216 350 F CB 0.714 39.708 39.000 -0.011 0.000 1.512 350 F HN 0.447 nan 8.300 nan 0.000 0.573 351 S N 1.412 117.225 115.700 0.188 0.000 2.440 351 S HA 0.015 4.490 4.470 0.009 0.000 0.238 351 S C 0.894 175.636 174.600 0.237 0.000 1.010 351 S CA 0.521 58.830 58.200 0.182 0.000 0.972 351 S CB -0.073 63.211 63.200 0.141 0.000 0.774 351 S HN 0.477 nan 8.310 nan 0.000 0.501 352 A N 0.317 123.325 122.820 0.312 0.000 2.340 352 A HA 0.837 5.162 4.320 0.009 0.000 0.297 352 A C -0.155 177.687 177.584 0.430 0.000 1.195 352 A CA -0.196 52.058 52.037 0.360 0.000 0.769 352 A CB 1.112 20.322 19.000 0.350 0.000 1.163 352 A HN 1.151 nan 8.150 nan 0.000 0.472 353 A N 4.148 127.167 122.820 0.332 0.000 3.330 353 A HA 0.587 4.912 4.320 0.009 0.000 0.256 353 A C -3.044 174.681 177.584 0.234 0.000 1.185 353 A CA -0.793 51.389 52.037 0.241 0.000 0.940 353 A CB 0.267 19.406 19.000 0.232 0.000 1.397 353 A HN 0.529 nan 8.150 nan 0.000 0.678 354 P HA 0.352 nan 4.420 nan 0.000 0.265 354 P C -0.669 176.638 177.300 0.011 0.000 1.193 354 P CA 0.602 63.664 63.100 -0.063 0.000 0.765 354 P CB 0.096 31.717 31.700 -0.133 0.000 0.823 355 F N 0.138 120.026 119.950 -0.104 0.000 2.577 355 F HA 0.792 5.323 4.527 0.008 0.000 0.318 355 F C -0.393 175.318 175.800 -0.148 0.000 1.065 355 F CA -1.166 56.768 58.000 -0.110 0.000 0.929 355 F CB 1.727 40.536 39.000 -0.318 0.000 1.237 355 F HN 0.415 nan 8.300 nan 0.000 0.468 356 S N 0.344 116.110 115.700 0.110 0.000 2.579 356 S HA 0.954 5.430 4.470 0.009 0.000 0.272 356 S C -0.772 173.794 174.600 -0.057 0.000 1.141 356 S CA -0.164 58.041 58.200 0.009 0.000 0.843 356 S CB 1.501 64.779 63.200 0.130 0.000 1.122 356 S HN 1.503 nan 8.310 nan 0.000 0.468 357 G N -0.158 108.576 108.800 -0.110 0.000 3.433 357 G HA2 0.703 4.668 3.960 0.009 0.000 0.173 357 G HA3 0.703 4.668 3.960 0.009 0.000 0.173 357 G C -1.640 173.304 174.900 0.074 0.000 1.196 357 G CA -0.162 44.827 45.100 -0.186 0.000 1.062 357 G HN 1.254 nan 8.290 nan 0.000 0.699 358 W N -1.283 120.011 121.300 -0.009 0.000 3.083 358 W HA 0.823 5.488 4.660 0.007 0.000 0.333 358 W C -1.678 174.844 176.519 0.005 0.000 1.217 358 W CA -2.057 55.305 57.345 0.028 0.000 1.170 358 W CB 0.458 29.977 29.460 0.099 0.000 1.437 358 W HN 0.414 nan 8.180 nan 0.000 0.557 359 Y N 2.491 122.979 120.300 0.313 0.000 2.314 359 Y HA 0.356 4.911 4.550 0.009 0.000 0.334 359 Y C 0.754 176.714 175.900 0.100 0.000 1.266 359 Y CA -0.755 57.414 58.100 0.115 0.000 1.391 359 Y CB 1.169 39.614 38.460 -0.025 0.000 1.306 359 Y HN 0.476 nan 8.280 nan 0.000 0.558 360 M N 1.515 121.269 119.600 0.256 0.000 2.205 360 M HA 0.215 4.700 4.480 0.009 0.000 0.344 360 M C 1.031 177.321 176.300 -0.017 0.000 1.085 360 M CA -0.353 55.015 55.300 0.114 0.000 1.001 360 M CB 1.308 33.955 32.600 0.078 0.000 1.626 360 M HN 0.839 nan 8.290 nan 0.000 0.442 361 S N 1.585 117.239 115.700 -0.078 0.000 2.400 361 S HA -0.225 4.250 4.470 0.009 0.000 0.234 361 S C 1.446 175.921 174.600 -0.210 0.000 1.049 361 S CA 2.412 60.501 58.200 -0.186 0.000 1.039 361 S CB -1.392 61.744 63.200 -0.107 0.000 0.856 361 S HN 0.932 nan 8.310 nan 0.000 0.465 362 T N -0.278 114.189 114.554 -0.145 0.000 2.915 362 T HA 0.012 4.367 4.350 0.009 0.000 0.269 362 T C 1.581 176.132 174.700 -0.249 0.000 1.071 362 T CA 1.190 63.158 62.100 -0.219 0.000 1.132 362 T CB -0.589 68.124 68.868 -0.259 0.000 0.878 362 T HN 0.625 nan 8.240 nan 0.000 0.479 363 E N 0.806 120.873 120.200 -0.222 0.000 2.110 363 E HA -0.024 4.332 4.350 0.009 0.000 0.193 363 E C 1.977 178.296 176.600 -0.468 0.000 0.988 363 E CA 1.256 57.518 56.400 -0.230 0.000 0.804 363 E CB -0.248 29.441 29.700 -0.018 0.000 0.745 363 E HN 0.608 nan 8.360 nan 0.000 0.458 364 I N -0.111 120.059 120.570 -0.667 0.000 2.368 364 I HA -0.026 4.150 4.170 0.009 0.000 0.238 364 I C 2.578 178.326 176.117 -0.615 0.000 1.076 364 I CA 0.802 61.531 61.300 -0.951 0.000 1.397 364 I CB -0.549 36.809 38.000 -1.069 0.000 1.141 364 I HN 0.090 nan 8.210 nan 0.000 0.430 365 G N 0.297 108.850 108.800 -0.412 0.000 2.432 365 G HA2 -0.175 3.790 3.960 0.009 0.000 0.219 365 G HA3 -0.175 3.790 3.960 0.009 0.000 0.219 365 G C 1.596 176.378 174.900 -0.196 0.000 1.135 365 G CA 1.595 46.549 45.100 -0.242 0.000 0.767 365 G HN 0.308 nan 8.290 nan 0.000 0.550 366 T N -0.105 114.310 114.554 -0.232 0.000 2.980 366 T HA 0.104 4.459 4.350 0.009 0.000 0.239 366 T C 2.522 177.106 174.700 -0.194 0.000 1.011 366 T CA 0.262 62.246 62.100 -0.194 0.000 1.171 366 T CB 0.069 68.809 68.868 -0.214 0.000 0.873 366 T HN 0.013 nan 8.240 nan 0.000 0.431 367 R N 2.094 122.456 120.500 -0.230 0.000 2.056 367 R HA 0.135 4.481 4.340 0.009 0.000 0.227 367 R C 2.211 178.380 176.300 -0.218 0.000 1.149 367 R CA 1.113 57.085 56.100 -0.213 0.000 0.937 367 R CB -1.280 28.897 30.300 -0.206 0.000 0.835 367 R HN 0.330 nan 8.270 nan 0.000 0.430 368 N N 1.061 119.576 118.700 -0.309 0.000 2.104 368 N HA -0.113 4.632 4.740 0.009 0.000 0.190 368 N C 1.989 177.406 175.510 -0.155 0.000 1.024 368 N CA 1.167 54.029 53.050 -0.315 0.000 0.853 368 N CB -0.268 37.689 38.487 -0.883 0.000 1.008 368 N HN 0.202 nan 8.380 nan 0.000 0.424 369 L N -0.679 120.399 121.223 -0.242 0.000 2.249 369 L HA 0.073 4.418 4.340 0.009 0.000 0.207 369 L C 1.492 178.380 176.870 0.030 0.000 1.090 369 L CA 0.435 55.236 54.840 -0.065 0.000 0.802 369 L CB 0.136 42.128 42.059 -0.112 0.000 0.947 369 L HN 0.158 nan 8.230 nan 0.000 0.453 370 C N -1.474 117.806 119.300 -0.034 0.000 2.912 370 C HA 0.162 4.627 4.460 0.009 0.000 0.274 370 C C 0.720 175.695 174.990 -0.025 0.000 1.248 370 C CA -0.920 58.092 59.018 -0.010 0.000 1.694 370 C CB -0.433 27.288 27.740 -0.032 0.000 2.024 370 C HN 0.295 nan 8.230 nan 0.000 0.605 371 D N 2.892 123.247 120.400 -0.075 0.000 2.443 371 D HA 0.056 4.702 4.640 0.009 0.000 0.239 371 D C -1.075 175.204 176.300 -0.034 0.000 1.136 371 D CA -1.370 52.565 54.000 -0.108 0.000 0.879 371 D CB 0.708 41.294 40.800 -0.357 0.000 1.195 371 D HN 0.188 nan 8.370 nan 0.000 0.443 372 P HA -0.149 nan 4.420 nan 0.000 0.220 372 P C 0.616 178.014 177.300 0.164 0.000 1.148 372 P CA 1.247 64.427 63.100 0.134 0.000 0.803 372 P CB 0.054 31.843 31.700 0.149 0.000 0.782 373 H N -2.504 116.572 119.070 0.010 0.000 2.517 373 H HA 0.367 4.928 4.556 0.009 0.000 0.282 373 H C 1.019 176.352 175.328 0.008 0.000 1.023 373 H CA -0.319 55.733 56.048 0.007 0.000 1.169 373 H CB -0.042 29.724 29.762 0.007 0.000 1.454 373 H HN -0.030 nan 8.280 nan 0.000 0.556 374 R N -0.181 120.226 120.500 -0.155 0.000 3.006 374 R HA 0.190 4.535 4.340 0.009 0.000 0.150 374 R C 1.161 177.427 176.300 -0.057 0.000 1.285 374 R CA -0.742 55.299 56.100 -0.099 0.000 0.813 374 R CB -0.824 29.434 30.300 -0.071 0.000 1.582 374 R HN 0.069 nan 8.270 nan 0.000 0.441 375 Y N 1.646 121.954 120.300 0.014 0.000 2.333 375 Y HA -0.083 4.472 4.550 0.009 0.000 0.290 375 Y C 0.752 176.670 175.900 0.030 0.000 1.144 375 Y CA 1.456 59.579 58.100 0.038 0.000 1.228 375 Y CB -0.280 38.239 38.460 0.097 0.000 0.985 375 Y HN 0.539 nan 8.280 nan 0.000 0.542 376 N N 0.839 119.623 118.700 0.140 0.000 2.667 376 N HA -0.220 4.525 4.740 0.009 0.000 0.263 376 N C 0.437 176.023 175.510 0.127 0.000 1.038 376 N CA 0.372 53.484 53.050 0.103 0.000 0.749 376 N CB -0.988 37.545 38.487 0.076 0.000 0.892 376 N HN 0.628 nan 8.380 nan 0.000 0.546 377 I N -2.723 117.932 120.570 0.143 0.000 3.883 377 I HA 0.039 4.214 4.170 0.009 0.000 0.326 377 I C 1.663 177.868 176.117 0.148 0.000 1.283 377 I CA -0.441 60.943 61.300 0.139 0.000 1.161 377 I CB 0.039 38.124 38.000 0.142 0.000 1.012 377 I HN 0.116 nan 8.210 nan 0.000 0.421 378 L N 1.824 123.141 121.223 0.157 0.000 2.013 378 L HA -0.226 4.119 4.340 0.009 0.000 0.212 378 L C 2.583 179.654 176.870 0.335 0.000 1.073 378 L CA 2.112 57.077 54.840 0.207 0.000 0.753 378 L CB -0.926 41.212 42.059 0.132 0.000 0.890 378 L HN 0.476 nan 8.230 nan 0.000 0.432 379 E N -1.035 119.367 120.200 0.336 0.000 2.077 379 E HA -0.227 4.129 4.350 0.009 0.000 0.193 379 E C 1.725 178.374 176.600 0.082 0.000 0.989 379 E CA 1.296 57.840 56.400 0.241 0.000 0.800 379 E CB 0.068 29.854 29.700 0.144 0.000 0.746 379 E HN 0.516 nan 8.360 nan 0.000 0.452 380 D N -0.012 120.433 120.400 0.075 0.000 2.084 380 D HA -0.153 4.492 4.640 0.009 0.000 0.194 380 D C 2.077 178.377 176.300 -0.000 0.000 0.990 380 D CA 1.149 55.158 54.000 0.015 0.000 0.826 380 D CB -0.270 40.546 40.800 0.027 0.000 0.971 380 D HN 0.127 nan 8.370 nan 0.000 0.453 381 V N 1.534 121.500 119.914 0.086 0.000 2.427 381 V HA -0.193 3.933 4.120 0.009 0.000 0.248 381 V C 2.536 178.712 176.094 0.136 0.000 1.051 381 V CA 1.643 64.042 62.300 0.164 0.000 1.048 381 V CB -0.745 31.259 31.823 0.302 0.000 0.666 381 V HN 0.170 nan 8.190 nan 0.000 0.456 382 A N -0.209 122.704 122.820 0.154 0.000 1.930 382 A HA -0.135 4.190 4.320 0.009 0.000 0.217 382 A C 2.384 179.944 177.584 -0.041 0.000 1.175 382 A CA 1.855 53.975 52.037 0.139 0.000 0.627 382 A CB -0.609 18.566 19.000 0.292 0.000 0.815 382 A HN 0.331 nan 8.150 nan 0.000 0.443 383 V N -0.807 119.039 119.914 -0.113 0.000 2.407 383 V HA -0.314 3.812 4.120 0.009 0.000 0.248 383 V C 2.574 178.514 176.094 -0.256 0.000 1.055 383 V CA 2.051 64.241 62.300 -0.183 0.000 1.049 383 V CB -0.959 30.762 31.823 -0.170 0.000 0.662 383 V HN 0.723 nan 8.190 nan 0.000 0.455 384 C N -0.578 118.498 119.300 -0.374 0.000 2.450 384 C HA -0.052 4.413 4.460 0.009 0.000 0.279 384 C C 2.605 177.192 174.990 -0.671 0.000 1.335 384 C CA 0.710 59.263 59.018 -0.775 0.000 1.749 384 C CB -0.909 25.956 27.740 -1.457 0.000 1.963 384 C HN 0.521 nan 8.230 nan 0.000 0.501 385 M N 0.092 119.534 119.600 -0.262 0.000 2.595 385 M HA 0.032 4.517 4.480 0.009 0.000 0.248 385 M C 0.499 176.783 176.300 -0.028 0.000 1.119 385 M CA 0.984 56.290 55.300 0.010 0.000 1.079 385 M CB -0.440 32.264 32.600 0.172 0.000 1.472 385 M HN 0.292 nan 8.290 nan 0.000 0.501 386 D N 1.185 121.522 120.400 -0.105 0.000 2.775 386 D HA -0.137 4.509 4.640 0.009 0.000 0.235 386 D C -0.939 175.330 176.300 -0.051 0.000 1.120 386 D CA 0.327 54.274 54.000 -0.090 0.000 0.708 386 D CB -0.865 39.892 40.800 -0.073 0.000 1.084 386 D HN 0.295 nan 8.370 nan 0.000 0.434 387 L N -0.081 121.115 121.223 -0.044 0.000 2.399 387 L HA 0.381 4.727 4.340 0.009 0.000 0.265 387 L C 0.921 177.724 176.870 -0.111 0.000 1.089 387 L CA -0.807 54.027 54.840 -0.011 0.000 0.802 387 L CB 0.724 42.846 42.059 0.106 0.000 1.180 387 L HN 0.031 nan 8.230 nan 0.000 0.454 388 D N 0.679 121.033 120.400 -0.076 0.000 2.455 388 D HA -0.005 4.640 4.640 0.009 0.000 0.234 388 D C 1.134 177.226 176.300 -0.347 0.000 1.224 388 D CA -0.138 53.778 54.000 -0.140 0.000 0.999 388 D CB 0.568 41.347 40.800 -0.035 0.000 1.072 388 D HN 0.591 nan 8.370 nan 0.000 0.514 389 T N 0.346 114.503 114.554 -0.662 0.000 3.215 389 T HA 0.036 4.391 4.350 0.009 0.000 0.254 389 T C 1.464 175.768 174.700 -0.661 0.000 1.149 389 T CA 0.175 61.439 62.100 -1.394 0.000 1.042 389 T CB -0.022 67.979 68.868 -1.445 0.000 0.966 389 T HN 0.265 nan 8.240 nan 0.000 0.534 390 R N 0.354 120.673 120.500 -0.301 0.000 2.210 390 R HA 0.179 4.524 4.340 0.009 0.000 0.203 390 R C 1.020 177.328 176.300 0.013 0.000 1.010 390 R CA 0.581 56.613 56.100 -0.113 0.000 1.008 390 R CB 0.104 30.352 30.300 -0.087 0.000 0.923 390 R HN 0.349 nan 8.270 nan 0.000 0.469 391 T N -0.691 113.906 114.554 0.072 0.000 2.893 391 T HA 0.139 4.495 4.350 0.009 0.000 0.291 391 T C 1.184 176.061 174.700 0.295 0.000 1.028 391 T CA -0.602 61.588 62.100 0.150 0.000 0.995 391 T CB 1.895 70.818 68.868 0.092 0.000 1.051 391 T HN 0.211 nan 8.240 nan 0.000 0.470 392 T N 0.695 115.379 114.554 0.218 0.000 2.821 392 T HA -0.093 4.262 4.350 0.009 0.000 0.267 392 T C 2.140 176.906 174.700 0.109 0.000 1.046 392 T CA 1.568 63.764 62.100 0.161 0.000 1.139 392 T CB -0.775 68.137 68.868 0.072 0.000 0.871 392 T HN 0.688 nan 8.240 nan 0.000 0.454 393 S N 2.251 118.009 115.700 0.097 0.000 2.537 393 S HA -0.089 4.387 4.470 0.009 0.000 0.240 393 S C 2.107 176.758 174.600 0.086 0.000 0.981 393 S CA 0.927 59.169 58.200 0.070 0.000 0.948 393 S CB -0.969 62.264 63.200 0.054 0.000 0.759 393 S HN 0.775 nan 8.310 nan 0.000 0.531 394 S N 1.641 117.430 115.700 0.147 0.000 2.496 394 S HA 0.236 4.711 4.470 0.009 0.000 0.224 394 S C 0.962 175.655 174.600 0.154 0.000 0.996 394 S CA 0.230 58.526 58.200 0.161 0.000 0.927 394 S CB -0.951 62.379 63.200 0.217 0.000 0.774 394 S HN 0.629 nan 8.310 nan 0.000 0.524 395 L N 1.090 122.377 121.223 0.107 0.000 3.717 395 L HA -0.169 4.176 4.340 0.009 0.000 0.414 395 L C 1.585 178.478 176.870 0.037 0.000 1.228 395 L CA 0.645 55.487 54.840 0.003 0.000 0.918 395 L CB -2.403 39.660 42.059 0.007 0.000 1.865 395 L HN 0.734 nan 8.230 nan 0.000 0.922 396 W N -0.097 121.213 121.300 0.016 0.000 2.388 396 W HA -0.120 4.546 4.660 0.009 0.000 0.294 396 W C 1.725 178.260 176.519 0.026 0.000 1.212 396 W CA 1.246 58.603 57.345 0.020 0.000 1.271 396 W CB -0.682 28.787 29.460 0.015 0.000 1.126 396 W HN 0.271 nan 8.180 nan 0.000 0.535 397 K N 1.037 121.032 120.400 -0.675 0.000 2.057 397 K HA -0.156 4.169 4.320 0.009 0.000 0.207 397 K C 1.518 177.979 176.600 -0.233 0.000 1.049 397 K CA 2.319 58.234 56.287 -0.619 0.000 0.931 397 K CB -0.310 31.681 32.500 -0.849 0.000 0.714 397 K HN 0.047 nan 8.250 nan 0.000 0.440 398 D N 0.569 120.858 120.400 -0.186 0.000 2.117 398 D HA -0.112 4.534 4.640 0.009 0.000 0.198 398 D C 1.658 177.946 176.300 -0.019 0.000 0.982 398 D CA 1.144 55.088 54.000 -0.092 0.000 0.828 398 D CB 0.071 40.824 40.800 -0.077 0.000 0.967 398 D HN 0.117 nan 8.370 nan 0.000 0.464 399 K N 0.586 121.001 120.400 0.026 0.000 2.025 399 K HA -0.000 4.325 4.320 0.009 0.000 0.207 399 K C 2.235 178.895 176.600 0.101 0.000 1.049 399 K CA 1.100 57.431 56.287 0.074 0.000 0.933 399 K CB -0.173 32.394 32.500 0.111 0.000 0.714 399 K HN 0.078 nan 8.250 nan 0.000 0.438 400 A N 1.746 124.646 122.820 0.133 0.000 1.877 400 A HA -0.143 4.182 4.320 0.009 0.000 0.216 400 A C 2.425 180.089 177.584 0.135 0.000 1.186 400 A CA 1.966 54.110 52.037 0.178 0.000 0.620 400 A CB -0.840 18.299 19.000 0.232 0.000 0.822 400 A HN 0.341 nan 8.150 nan 0.000 0.443 401 A N -0.655 122.201 122.820 0.061 0.000 1.940 401 A HA -0.031 4.294 4.320 0.009 0.000 0.219 401 A C 2.226 179.819 177.584 0.015 0.000 1.176 401 A CA 1.894 53.941 52.037 0.018 0.000 0.631 401 A CB -0.895 18.076 19.000 -0.049 0.000 0.814 401 A HN 0.409 nan 8.150 nan 0.000 0.446 402 V N 0.237 120.168 119.914 0.028 0.000 2.358 402 V HA -0.185 3.940 4.120 0.009 0.000 0.246 402 V C 2.489 178.617 176.094 0.057 0.000 1.047 402 V CA 2.041 64.362 62.300 0.035 0.000 1.035 402 V CB -0.654 31.197 31.823 0.046 0.000 0.658 402 V HN 0.528 nan 8.190 nan 0.000 0.452 403 E N -0.055 120.203 120.200 0.097 0.000 2.150 403 E HA -0.098 4.258 4.350 0.009 0.000 0.193 403 E C 2.115 178.751 176.600 0.060 0.000 0.985 403 E CA 1.067 57.554 56.400 0.145 0.000 0.814 403 E CB -0.224 29.530 29.700 0.091 0.000 0.752 403 E HN 0.583 nan 8.360 nan 0.000 0.466 404 I N 1.452 122.078 120.570 0.093 0.000 2.252 404 I HA -0.219 3.957 4.170 0.009 0.000 0.245 404 I C 2.138 178.239 176.117 -0.028 0.000 1.102 404 I CA 0.757 62.117 61.300 0.101 0.000 1.385 404 I CB -0.271 37.848 38.000 0.199 0.000 1.064 404 I HN 0.067 nan 8.210 nan 0.000 0.414 405 N N 0.705 119.383 118.700 -0.037 0.000 2.188 405 N HA -0.154 4.591 4.740 0.009 0.000 0.184 405 N C 1.905 177.368 175.510 -0.078 0.000 1.018 405 N CA 1.052 54.061 53.050 -0.068 0.000 0.858 405 N CB -0.030 38.428 38.487 -0.047 0.000 0.989 405 N HN 0.196 nan 8.380 nan 0.000 0.426 406 L N 1.470 122.641 121.223 -0.086 0.000 2.141 406 L HA 0.004 4.349 4.340 0.009 0.000 0.209 406 L C 2.194 178.908 176.870 -0.259 0.000 1.094 406 L CA 1.191 55.938 54.840 -0.155 0.000 0.763 406 L CB -0.625 41.325 42.059 -0.181 0.000 0.908 406 L HN 0.016 nan 8.230 nan 0.000 0.437 407 A N -1.239 121.388 122.820 -0.322 0.000 1.898 407 A HA -0.106 4.220 4.320 0.009 0.000 0.216 407 A C 2.235 179.753 177.584 -0.110 0.000 1.181 407 A CA 1.758 53.570 52.037 -0.375 0.000 0.620 407 A CB -0.986 17.548 19.000 -0.777 0.000 0.819 407 A HN 0.263 nan 8.150 nan 0.000 0.442 408 V N 0.136 120.001 119.914 -0.081 0.000 2.343 408 V HA -0.265 3.861 4.120 0.009 0.000 0.247 408 V C 2.570 178.660 176.094 -0.007 0.000 1.051 408 V CA 1.982 64.264 62.300 -0.030 0.000 1.036 408 V CB -0.771 30.942 31.823 -0.182 0.000 0.654 408 V HN 0.558 nan 8.190 nan 0.000 0.451 409 L N -0.636 120.555 121.223 -0.054 0.000 2.027 409 L HA -0.206 4.139 4.340 0.009 0.000 0.206 409 L C 2.622 179.521 176.870 0.049 0.000 1.074 409 L CA 2.111 56.938 54.840 -0.022 0.000 0.745 409 L CB -0.734 41.304 42.059 -0.035 0.000 0.898 409 L HN 0.465 nan 8.230 nan 0.000 0.433 410 H N -0.502 118.521 119.070 -0.078 0.000 2.353 410 H HA -0.124 4.438 4.556 0.010 0.000 0.300 410 H C 2.336 177.651 175.328 -0.023 0.000 1.090 410 H CA 1.885 57.881 56.048 -0.087 0.000 1.327 410 H CB 0.102 29.745 29.762 -0.197 0.000 1.383 410 H HN 0.137 nan 8.280 nan 0.000 0.508 411 S N -0.418 115.261 115.700 -0.035 0.000 2.368 411 S HA -0.093 4.382 4.470 0.009 0.000 0.224 411 S C 1.816 176.396 174.600 -0.033 0.000 1.029 411 S CA 1.126 59.292 58.200 -0.057 0.000 0.988 411 S CB -0.367 62.884 63.200 0.084 0.000 0.838 411 S HN 0.322 nan 8.310 nan 0.000 0.462 412 F N 2.021 121.912 119.950 -0.098 0.000 2.186 412 F HA -0.038 4.494 4.527 0.008 0.000 0.299 412 F C 2.615 178.360 175.800 -0.091 0.000 1.090 412 F CA 0.905 58.867 58.000 -0.062 0.000 1.307 412 F CB -0.599 38.389 39.000 -0.021 0.000 1.019 412 F HN 0.203 nan 8.300 nan 0.000 0.489 413 Q N -0.586 119.246 119.800 0.053 0.000 2.079 413 Q HA -0.187 4.159 4.340 0.009 0.000 0.200 413 Q C 2.193 178.128 176.000 -0.109 0.000 0.974 413 Q CA 1.266 57.049 55.803 -0.033 0.000 0.840 413 Q CB -0.448 28.264 28.738 -0.043 0.000 0.898 413 Q HN 0.322 nan 8.270 nan 0.000 0.430 414 L N 0.492 121.591 121.223 -0.206 0.000 2.017 414 L HA -0.080 4.265 4.340 0.009 0.000 0.208 414 L C 1.961 178.740 176.870 -0.153 0.000 1.073 414 L CA 1.935 56.639 54.840 -0.227 0.000 0.745 414 L CB -0.559 41.277 42.059 -0.371 0.000 0.894 414 L HN 0.122 nan 8.230 nan 0.000 0.432 415 A N -1.406 121.319 122.820 -0.158 0.000 2.235 415 A HA -0.006 4.319 4.320 0.009 0.000 0.208 415 A C 0.999 178.510 177.584 -0.123 0.000 1.172 415 A CA 0.263 52.211 52.037 -0.149 0.000 0.786 415 A CB -0.547 18.326 19.000 -0.211 0.000 0.804 415 A HN 0.488 nan 8.150 nan 0.000 0.479 416 K N -1.087 119.255 120.400 -0.097 0.000 3.096 416 K HA -0.130 4.196 4.320 0.009 0.000 0.266 416 K C -0.747 175.816 176.600 -0.062 0.000 1.043 416 K CA 0.672 56.917 56.287 -0.071 0.000 0.758 416 K CB -2.161 30.299 32.500 -0.067 0.000 1.260 416 K HN 0.276 nan 8.250 nan 0.000 0.481 417 V N 0.994 120.878 119.914 -0.050 0.000 2.483 417 V HA 0.171 4.297 4.120 0.009 0.000 0.295 417 V C 0.842 177.017 176.094 0.135 0.000 1.035 417 V CA -0.706 61.594 62.300 0.000 0.000 0.896 417 V CB 1.958 33.695 31.823 -0.142 0.000 0.986 417 V HN 0.217 nan 8.190 nan 0.000 0.447 418 T N 6.025 120.625 114.554 0.077 0.000 2.928 418 T HA 0.498 4.853 4.350 0.009 0.000 0.305 418 T C -0.247 174.536 174.700 0.138 0.000 1.035 418 T CA 0.627 62.706 62.100 -0.034 0.000 1.145 418 T CB 0.256 68.940 68.868 -0.308 0.000 0.963 418 T HN 0.577 nan 8.240 nan 0.000 0.545 419 I N 1.873 122.460 120.570 0.027 0.000 2.882 419 I HA 0.556 4.731 4.170 0.009 0.000 0.298 419 I C -1.724 174.429 176.117 0.060 0.000 1.462 419 I CA -0.904 60.446 61.300 0.083 0.000 1.000 419 I CB 1.894 39.853 38.000 -0.070 0.000 1.340 419 I HN 0.455 nan 8.210 nan 0.000 0.462 420 V N 5.195 125.195 119.914 0.144 0.000 2.638 420 V HA 0.452 4.578 4.120 0.009 0.000 0.306 420 V C -1.086 175.047 176.094 0.064 0.000 1.052 420 V CA -0.300 62.078 62.300 0.129 0.000 0.885 420 V CB 2.199 34.182 31.823 0.267 0.000 0.999 420 V HN 0.872 nan 8.190 nan 0.000 0.424 421 D N 4.139 124.545 120.400 0.009 0.000 2.360 421 D HA 0.133 4.778 4.640 0.009 0.000 0.242 421 D C 1.311 177.551 176.300 -0.100 0.000 1.184 421 D CA 0.279 54.242 54.000 -0.061 0.000 0.930 421 D CB 0.402 41.127 40.800 -0.126 0.000 1.161 421 D HN 0.742 nan 8.370 nan 0.000 0.447 422 H N -0.386 118.587 119.070 -0.162 0.000 2.491 422 H HA -0.124 4.437 4.556 0.009 0.000 0.290 422 H C 0.914 176.119 175.328 -0.206 0.000 1.050 422 H CA 1.195 57.115 56.048 -0.213 0.000 1.309 422 H CB -0.472 29.110 29.762 -0.300 0.000 1.392 422 H HN 0.507 nan 8.280 nan 0.000 0.554 423 H N 1.218 120.081 119.070 -0.344 0.000 2.317 423 H HA 0.170 4.731 4.556 0.009 0.000 0.304 423 H C 2.562 177.866 175.328 -0.039 0.000 1.067 423 H CA 1.282 57.237 56.048 -0.156 0.000 1.352 423 H CB -0.368 29.273 29.762 -0.202 0.000 1.398 423 H HN 0.487 nan 8.280 nan 0.000 0.510 424 A N 1.495 124.363 122.820 0.080 0.000 1.902 424 A HA -0.115 4.210 4.320 0.009 0.000 0.217 424 A C 2.689 180.339 177.584 0.110 0.000 1.181 424 A CA 1.938 54.027 52.037 0.087 0.000 0.623 424 A CB -0.876 18.166 19.000 0.069 0.000 0.818 424 A HN 0.435 nan 8.150 nan 0.000 0.443 425 A N -0.253 122.627 122.820 0.100 0.000 1.877 425 A HA -0.116 4.209 4.320 0.009 0.000 0.216 425 A C 2.467 180.140 177.584 0.149 0.000 1.186 425 A CA 2.673 54.787 52.037 0.128 0.000 0.620 425 A CB -1.460 17.599 19.000 0.099 0.000 0.822 425 A HN 0.761 nan 8.150 nan 0.000 0.443 426 T N -2.527 112.100 114.554 0.122 0.000 2.821 426 T HA -0.088 4.268 4.350 0.009 0.000 0.267 426 T C 1.700 176.530 174.700 0.217 0.000 1.046 426 T CA 1.395 63.591 62.100 0.160 0.000 1.139 426 T CB -0.805 68.126 68.868 0.105 0.000 0.871 426 T HN 0.054 nan 8.240 nan 0.000 0.454 427 V N 2.834 122.851 119.914 0.172 0.000 2.343 427 V HA -0.170 3.955 4.120 0.009 0.000 0.247 427 V C 3.188 179.377 176.094 0.159 0.000 1.051 427 V CA 2.128 64.521 62.300 0.155 0.000 1.036 427 V CB -0.955 30.941 31.823 0.121 0.000 0.654 427 V HN 0.807 nan 8.190 nan 0.000 0.451 428 S N -0.624 115.179 115.700 0.171 0.000 2.453 428 S HA -0.152 4.323 4.470 0.009 0.000 0.231 428 S C 1.867 176.599 174.600 0.220 0.000 1.005 428 S CA 1.156 59.458 58.200 0.170 0.000 0.949 428 S CB -0.602 62.697 63.200 0.166 0.000 0.774 428 S HN 0.538 nan 8.310 nan 0.000 0.510 429 F N 1.789 121.804 119.950 0.109 0.000 2.367 429 F HA 0.259 4.791 4.527 0.008 0.000 0.298 429 F C 2.076 177.970 175.800 0.156 0.000 1.094 429 F CA 0.733 58.813 58.000 0.135 0.000 1.409 429 F CB -0.215 38.844 39.000 0.098 0.000 1.064 429 F HN 0.108 nan 8.300 nan 0.000 0.528 430 M N 0.037 119.725 119.600 0.146 0.000 2.175 430 M HA -0.128 4.357 4.480 0.009 0.000 0.264 430 M C 2.178 178.466 176.300 -0.021 0.000 1.063 430 M CA 1.323 56.652 55.300 0.048 0.000 1.119 430 M CB -1.132 31.538 32.600 0.116 0.000 1.377 430 M HN 0.039 nan 8.290 nan 0.000 0.415 431 K N -0.170 120.247 120.400 0.029 0.000 2.057 431 K HA -0.195 4.130 4.320 0.009 0.000 0.207 431 K C 2.002 178.595 176.600 -0.011 0.000 1.049 431 K CA 1.753 58.052 56.287 0.020 0.000 0.931 431 K CB -0.684 31.849 32.500 0.057 0.000 0.714 431 K HN 0.380 nan 8.250 nan 0.000 0.440 432 H N 0.104 119.101 119.070 -0.122 0.000 2.319 432 H HA -0.027 4.534 4.556 0.009 0.000 0.299 432 H C 1.764 176.940 175.328 -0.253 0.000 1.092 432 H CA 2.244 58.191 56.048 -0.168 0.000 1.302 432 H CB -0.256 29.379 29.762 -0.211 0.000 1.373 432 H HN 0.165 nan 8.280 nan 0.000 0.497 433 L N -0.139 120.800 121.223 -0.473 0.000 2.042 433 L HA -0.186 4.160 4.340 0.009 0.000 0.210 433 L C 2.291 179.001 176.870 -0.266 0.000 1.076 433 L CA 1.808 56.383 54.840 -0.442 0.000 0.749 433 L CB -0.476 41.382 42.059 -0.336 0.000 0.893 433 L HN 0.401 nan 8.230 nan 0.000 0.432 434 D N -0.157 120.139 120.400 -0.173 0.000 2.144 434 D HA -0.168 4.478 4.640 0.009 0.000 0.200 434 D C 1.875 178.107 176.300 -0.112 0.000 0.978 434 D CA 1.062 54.998 54.000 -0.107 0.000 0.833 434 D CB 0.048 40.814 40.800 -0.058 0.000 0.961 434 D HN 0.159 nan 8.370 nan 0.000 0.470 435 N N 0.506 119.126 118.700 -0.133 0.000 2.142 435 N HA -0.109 4.637 4.740 0.009 0.000 0.186 435 N C 1.573 177.003 175.510 -0.133 0.000 1.023 435 N CA 0.813 53.804 53.050 -0.098 0.000 0.852 435 N CB -0.241 38.216 38.487 -0.050 0.000 0.998 435 N HN 0.319 nan 8.380 nan 0.000 0.424 436 E N 0.552 120.594 120.200 -0.263 0.000 2.274 436 E HA -0.133 4.222 4.350 0.009 0.000 0.194 436 E C 1.785 178.286 176.600 -0.164 0.000 0.996 436 E CA 0.427 56.673 56.400 -0.256 0.000 0.840 436 E CB 0.005 29.441 29.700 -0.441 0.000 0.772 436 E HN 0.334 nan 8.360 nan 0.000 0.491 437 Q N 1.592 121.305 119.800 -0.145 0.000 2.046 437 Q HA -0.109 4.237 4.340 0.009 0.000 0.200 437 Q C 1.776 177.731 176.000 -0.075 0.000 0.975 437 Q CA 1.661 57.408 55.803 -0.094 0.000 0.836 437 Q CB 0.036 28.729 28.738 -0.076 0.000 0.896 437 Q HN 0.102 nan 8.270 nan 0.000 0.428 438 K N -0.670 119.688 120.400 -0.069 0.000 2.097 438 K HA -0.019 4.306 4.320 0.009 0.000 0.205 438 K C 1.967 178.538 176.600 -0.048 0.000 1.050 438 K CA 1.046 57.302 56.287 -0.051 0.000 0.938 438 K CB -0.130 32.346 32.500 -0.040 0.000 0.718 438 K HN 0.253 nan 8.250 nan 0.000 0.442 439 A N 1.355 124.143 122.820 -0.053 0.000 1.874 439 A HA -0.058 4.268 4.320 0.009 0.000 0.214 439 A C 1.750 179.303 177.584 -0.052 0.000 1.189 439 A CA 1.027 53.041 52.037 -0.038 0.000 0.615 439 A CB -0.031 18.960 19.000 -0.015 0.000 0.830 439 A HN 0.189 nan 8.150 nan 0.000 0.443 440 R N -2.161 118.294 120.500 -0.074 0.000 2.509 440 R HA 0.344 4.690 4.340 0.009 0.000 0.297 440 R C 0.852 177.105 176.300 -0.079 0.000 0.951 440 R CA 0.478 56.534 56.100 -0.072 0.000 1.103 440 R CB 0.581 30.834 30.300 -0.078 0.000 1.283 440 R HN 0.667 nan 8.270 nan 0.000 0.534 441 G N 0.573 109.322 108.800 -0.084 0.000 2.137 441 G HA2 -0.105 3.861 3.960 0.009 0.000 0.237 441 G HA3 -0.105 3.861 3.960 0.009 0.000 0.237 441 G C 0.243 175.101 174.900 -0.071 0.000 1.002 441 G CA -0.101 44.940 45.100 -0.097 0.000 0.702 441 G HN 0.759 nan 8.290 nan 0.000 0.515 442 G N -2.386 106.386 108.800 -0.046 0.000 2.359 442 G HA2 0.541 4.506 3.960 0.009 0.000 0.293 442 G HA3 0.541 4.506 3.960 0.009 0.000 0.293 442 G C -0.790 174.116 174.900 0.009 0.000 1.300 442 G CA 0.472 45.579 45.100 0.012 0.000 0.888 442 G HN 2.004 nan 8.290 nan 0.000 0.541 443 C N 1.867 121.207 119.300 0.066 0.000 2.928 443 C HA 0.672 5.138 4.460 0.009 0.000 0.396 443 C C -2.593 172.374 174.990 -0.038 0.000 1.052 443 C CA -1.047 57.961 59.018 -0.017 0.000 1.251 443 C CB 1.241 28.903 27.740 -0.131 0.000 1.684 443 C HN 0.723 nan 8.230 nan 0.000 0.501 444 P HA 0.382 nan 4.420 nan 0.000 0.266 444 P C -0.609 176.577 177.300 -0.190 0.000 1.215 444 P CA 0.647 63.347 63.100 -0.667 0.000 0.763 444 P CB 0.955 32.018 31.700 -1.062 0.000 0.806 445 A N 2.950 125.737 122.820 -0.055 0.000 2.455 445 A HA 0.381 4.706 4.320 0.009 0.000 0.300 445 A C -0.833 176.808 177.584 0.096 0.000 1.040 445 A CA -0.594 51.503 52.037 0.099 0.000 0.697 445 A CB 1.231 20.414 19.000 0.304 0.000 1.265 445 A HN 0.447 nan 8.150 nan 0.000 0.407 446 D N 2.224 122.665 120.400 0.068 0.000 2.428 446 D HA 0.096 4.741 4.640 0.009 0.000 0.221 446 D C 0.794 177.223 176.300 0.215 0.000 1.123 446 D CA -0.394 53.676 54.000 0.118 0.000 0.869 446 D CB 0.368 41.173 40.800 0.007 0.000 1.032 446 D HN 0.632 nan 8.370 nan 0.000 0.506 447 W N 4.211 125.559 121.300 0.079 0.000 2.304 447 W HA -0.304 4.361 4.660 0.009 0.000 0.315 447 W C 2.006 178.576 176.519 0.086 0.000 1.233 447 W CA 2.274 59.658 57.345 0.066 0.000 1.261 447 W CB 0.041 29.519 29.460 0.029 0.000 1.150 447 W HN 0.570 nan 8.180 nan 0.000 0.494 448 A N -1.262 121.834 122.820 0.461 0.000 1.978 448 A HA -0.211 4.114 4.320 0.009 0.000 0.220 448 A C 1.502 179.173 177.584 0.145 0.000 1.170 448 A CA 1.692 53.930 52.037 0.335 0.000 0.636 448 A CB -1.288 17.944 19.000 0.386 0.000 0.810 448 A HN 0.532 nan 8.150 nan 0.000 0.448 449 W N -0.953 120.322 121.300 -0.043 0.000 2.704 449 W HA 0.201 4.866 4.660 0.009 0.000 0.266 449 W C 1.827 178.234 176.519 -0.186 0.000 1.266 449 W CA -0.093 57.201 57.345 -0.085 0.000 1.377 449 W CB 0.007 29.445 29.460 -0.038 0.000 1.082 449 W HN 0.141 nan 8.180 nan 0.000 0.608 450 I N -0.154 120.382 120.570 -0.057 0.000 2.406 450 I HA -0.061 4.114 4.170 0.009 0.000 0.249 450 I C 0.637 176.554 176.117 -0.334 0.000 1.122 450 I CA 0.788 61.922 61.300 -0.276 0.000 1.431 450 I CB -1.431 36.344 38.000 -0.374 0.000 1.087 450 I HN -0.413 nan 8.210 nan 0.000 0.424 451 V N 3.811 123.446 119.914 -0.465 0.000 2.508 451 V HA 0.114 4.240 4.120 0.009 0.000 0.281 451 V C -1.955 173.966 176.094 -0.288 0.000 1.041 451 V CA -1.177 60.848 62.300 -0.459 0.000 1.016 451 V CB 0.150 31.488 31.823 -0.808 0.000 0.984 451 V HN 0.116 nan 8.190 nan 0.000 0.478 452 P HA 0.112 nan 4.420 nan 0.000 0.268 452 P C -1.724 175.439 177.300 -0.229 0.000 1.208 452 P CA -1.066 61.906 63.100 -0.214 0.000 0.777 452 P CB 0.056 31.630 31.700 -0.210 0.000 0.875 453 P HA -0.029 nan 4.420 nan 0.000 0.230 453 P C 0.170 177.344 177.300 -0.210 0.000 1.158 453 P CA 1.207 64.179 63.100 -0.213 0.000 0.769 453 P CB -0.013 31.557 31.700 -0.216 0.000 0.807 454 I N -7.085 113.318 120.570 -0.278 0.000 2.969 454 I HA 0.460 4.636 4.170 0.009 0.000 0.307 454 I C -0.078 175.877 176.117 -0.269 0.000 1.149 454 I CA -1.252 59.892 61.300 -0.260 0.000 1.008 454 I CB 1.967 39.793 38.000 -0.291 0.000 1.232 454 I HN -0.414 nan 8.210 nan 0.000 0.435 455 S N 2.075 117.676 115.700 -0.166 0.000 3.533 455 S HA -0.197 4.278 4.470 0.009 0.000 0.347 455 S C 1.381 175.915 174.600 -0.111 0.000 1.101 455 S CA 0.845 58.990 58.200 -0.092 0.000 1.009 455 S CB -1.700 61.513 63.200 0.023 0.000 0.916 455 S HN 1.288 nan 8.310 nan 0.000 0.496 456 G N 2.233 110.928 108.800 -0.174 0.000 2.599 456 G HA2 -0.341 3.624 3.960 0.009 0.000 0.219 456 G HA3 -0.341 3.624 3.960 0.009 0.000 0.219 456 G C 1.450 176.119 174.900 -0.385 0.000 1.193 456 G CA 1.612 46.591 45.100 -0.203 0.000 0.778 456 G HN 1.291 nan 8.290 nan 0.000 0.589 457 S N -0.204 115.022 115.700 -0.790 0.000 2.561 457 S HA 0.154 4.629 4.470 0.009 0.000 0.225 457 S C 1.933 176.465 174.600 -0.113 0.000 0.977 457 S CA 0.558 58.254 58.200 -0.840 0.000 0.926 457 S CB 0.007 62.634 63.200 -0.956 0.000 0.769 457 S HN 0.065 nan 8.310 nan 0.000 0.533 458 L N 1.571 122.771 121.223 -0.038 0.000 2.554 458 L HA 0.316 4.661 4.340 0.009 0.000 0.226 458 L C 0.938 177.932 176.870 0.206 0.000 1.137 458 L CA 0.775 55.684 54.840 0.115 0.000 0.863 458 L CB -0.959 41.188 42.059 0.147 0.000 0.985 458 L HN 0.255 nan 8.230 nan 0.000 0.451 459 T N 0.945 115.596 114.554 0.163 0.000 2.867 459 T HA 0.254 4.609 4.350 0.009 0.000 0.282 459 T C -1.537 173.290 174.700 0.212 0.000 1.000 459 T CA -1.136 61.078 62.100 0.190 0.000 1.042 459 T CB 1.958 70.888 68.868 0.102 0.000 0.973 459 T HN -0.048 nan 8.240 nan 0.000 0.465 460 P HA -0.068 nan 4.420 nan 0.000 0.221 460 P C 1.643 179.119 177.300 0.295 0.000 1.150 460 P CA 0.916 64.210 63.100 0.324 0.000 0.800 460 P CB -0.174 31.675 31.700 0.249 0.000 0.787 461 V N -3.842 116.194 119.914 0.204 0.000 2.759 461 V HA -0.184 3.942 4.120 0.009 0.000 0.256 461 V C 2.333 178.507 176.094 0.133 0.000 1.080 461 V CA 1.107 63.508 62.300 0.169 0.000 1.101 461 V CB -2.203 29.659 31.823 0.064 0.000 0.698 461 V HN -0.125 nan 8.190 nan 0.000 0.477 462 F N 2.105 121.988 119.950 -0.112 0.000 2.126 462 F HA -0.161 4.371 4.527 0.009 0.000 0.299 462 F C 2.448 178.368 175.800 0.199 0.000 1.096 462 F CA 2.225 60.186 58.000 -0.064 0.000 1.255 462 F CB -0.285 38.522 39.000 -0.321 0.000 0.997 462 F HN 0.299 nan 8.300 nan 0.000 0.479 463 H N -0.694 118.699 119.070 0.537 0.000 2.547 463 H HA 0.114 4.675 4.556 0.009 0.000 0.274 463 H C 0.142 175.718 175.328 0.413 0.000 1.024 463 H CA 0.260 56.575 56.048 0.445 0.000 1.155 463 H CB -0.436 29.575 29.762 0.415 0.000 1.344 463 H HN 0.275 nan 8.280 nan 0.000 0.598 464 Q N 1.857 121.934 119.800 0.462 0.000 2.348 464 Q HA 0.189 4.534 4.340 0.009 0.000 0.265 464 Q C -0.676 175.567 176.000 0.405 0.000 0.998 464 Q CA -0.511 55.522 55.803 0.383 0.000 0.831 464 Q CB 0.984 29.914 28.738 0.320 0.000 1.251 464 Q HN 0.238 nan 8.270 nan 0.000 0.456 465 E N 3.462 123.840 120.200 0.296 0.000 2.383 465 E HA 0.312 4.667 4.350 0.009 0.000 0.264 465 E C -0.476 176.259 176.600 0.224 0.000 1.050 465 E CA 0.194 56.718 56.400 0.206 0.000 0.896 465 E CB 0.903 30.700 29.700 0.160 0.000 0.982 465 E HN 0.592 nan 8.360 nan 0.000 0.424 466 M N 1.286 121.020 119.600 0.224 0.000 2.550 466 M HA 0.397 4.883 4.480 0.009 0.000 0.292 466 M C -1.175 175.233 176.300 0.179 0.000 1.221 466 M CA -1.011 54.429 55.300 0.233 0.000 0.873 466 M CB 2.425 35.223 32.600 0.330 0.000 1.727 466 M HN 0.160 nan 8.290 nan 0.000 0.459 467 V N 1.363 121.392 119.914 0.191 0.000 2.459 467 V HA 0.444 4.569 4.120 0.009 0.000 0.295 467 V C -0.706 175.510 176.094 0.203 0.000 1.029 467 V CA -0.729 61.712 62.300 0.235 0.000 0.874 467 V CB 1.721 33.740 31.823 0.326 0.000 0.985 467 V HN 0.879 nan 8.190 nan 0.000 0.438 468 N N 3.263 122.074 118.700 0.185 0.000 2.372 468 N HA 0.681 5.426 4.740 0.009 0.000 0.285 468 N C -1.785 173.808 175.510 0.138 0.000 1.008 468 N CA -0.401 52.666 53.050 0.029 0.000 0.880 468 N CB 1.803 40.313 38.487 0.039 0.000 1.239 468 N HN 0.731 nan 8.380 nan 0.000 0.484 469 Y N 0.993 121.310 120.300 0.028 0.000 2.624 469 Y HA 0.517 5.072 4.550 0.009 0.000 0.334 469 Y C -1.261 174.639 175.900 0.000 0.000 1.155 469 Y CA -1.167 56.944 58.100 0.017 0.000 1.046 469 Y CB 0.642 39.117 38.460 0.024 0.000 1.316 469 Y HN 0.181 nan 8.280 nan 0.000 0.457 470 I N 3.481 124.129 120.570 0.129 0.000 2.331 470 I HA 0.442 4.618 4.170 0.009 0.000 0.292 470 I C -0.685 175.489 176.117 0.094 0.000 0.998 470 I CA -0.467 60.859 61.300 0.044 0.000 1.267 470 I CB 1.022 39.038 38.000 0.026 0.000 1.386 470 I HN 0.448 nan 8.210 nan 0.000 0.476 471 L N 5.058 126.303 121.223 0.037 0.000 2.354 471 L HA 0.531 4.877 4.340 0.009 0.000 0.269 471 L C -0.160 176.705 176.870 -0.009 0.000 1.005 471 L CA -0.504 54.365 54.840 0.049 0.000 0.819 471 L CB 2.171 44.262 42.059 0.053 0.000 1.311 471 L HN 0.523 nan 8.230 nan 0.000 0.423 472 S N 1.840 117.546 115.700 0.010 0.000 2.537 472 S HA 0.644 5.119 4.470 0.009 0.000 0.301 472 S C -2.541 172.068 174.600 0.014 0.000 1.092 472 S CA -1.454 56.737 58.200 -0.014 0.000 1.048 472 S CB 1.780 64.989 63.200 0.014 0.000 1.053 472 S HN 0.238 nan 8.310 nan 0.000 0.501 473 P HA 0.359 nan 4.420 nan 0.000 0.269 473 P C -1.395 175.771 177.300 -0.223 0.000 1.217 473 P CA 0.007 63.005 63.100 -0.170 0.000 0.783 473 P CB 0.499 32.043 31.700 -0.260 0.000 0.898 474 A N 1.420 124.074 122.820 -0.276 0.000 2.606 474 A HA 0.661 4.987 4.320 0.009 0.000 0.293 474 A C -1.635 175.742 177.584 -0.346 0.000 1.082 474 A CA -0.420 51.456 52.037 -0.267 0.000 0.685 474 A CB 0.800 19.716 19.000 -0.140 0.000 1.284 474 A HN 0.281 nan 8.150 nan 0.000 0.408 475 F N 1.430 121.278 119.950 -0.169 0.000 2.391 475 F HA 0.573 5.105 4.527 0.008 0.000 0.359 475 F C 0.962 176.639 175.800 -0.206 0.000 1.122 475 F CA 0.189 58.084 58.000 -0.175 0.000 1.120 475 F CB 1.418 40.255 39.000 -0.271 0.000 1.142 475 F HN 0.518 nan 8.300 nan 0.000 0.483 476 R N 2.286 122.802 120.500 0.026 0.000 2.778 476 R HA 0.479 4.824 4.340 0.009 0.000 0.277 476 R C -1.278 175.003 176.300 -0.031 0.000 0.977 476 R CA -1.146 54.907 56.100 -0.078 0.000 0.950 476 R CB 1.562 31.850 30.300 -0.021 0.000 1.165 476 R HN 0.354 nan 8.270 nan 0.000 0.474 477 Y N 1.322 121.645 120.300 0.038 0.000 2.314 477 Y HA 0.122 4.678 4.550 0.009 0.000 0.334 477 Y C 0.591 176.495 175.900 0.006 0.000 1.266 477 Y CA -0.115 57.999 58.100 0.024 0.000 1.391 477 Y CB 0.816 39.278 38.460 0.003 0.000 1.306 477 Y HN 0.460 nan 8.280 nan 0.000 0.558 478 Q N 2.082 121.981 119.800 0.164 0.000 2.418 478 Q HA 0.570 4.916 4.340 0.009 0.000 0.282 478 Q C -3.154 172.818 176.000 -0.046 0.000 1.044 478 Q CA -2.407 53.423 55.803 0.046 0.000 0.813 478 Q CB 2.565 31.325 28.738 0.037 0.000 1.428 478 Q HN 0.270 nan 8.270 nan 0.000 0.402 479 P HA 0.024 nan 4.420 nan 0.000 0.270 479 P C -0.732 176.355 177.300 -0.355 0.000 1.223 479 P CA -0.046 62.928 63.100 -0.210 0.000 0.785 479 P CB 0.511 32.102 31.700 -0.181 0.000 0.923 480 D N 2.188 122.229 120.400 -0.598 0.000 2.443 480 D HA 0.036 4.682 4.640 0.009 0.000 0.239 480 D C -1.280 174.437 176.300 -0.973 0.000 1.136 480 D CA -1.051 52.281 54.000 -1.113 0.000 0.879 480 D CB 0.022 39.621 40.800 -2.002 0.000 1.195 480 D HN 0.226 nan 8.370 nan 0.000 0.443 481 P HA -0.067 nan 4.420 nan 0.000 0.218 481 P C 0.184 177.198 177.300 -0.478 0.000 1.148 481 P CA 0.900 63.640 63.100 -0.600 0.000 0.822 481 P CB 0.129 31.349 31.700 -0.800 0.000 0.784 482 W N 0.000 120.878 121.300 -0.703 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.101 57.345 -0.406 0.000 1.226 482 W CB 0.000 29.202 29.460 -0.430 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535